A0A087YGZ4_POEFO Loading...

Coiled-coil domain containing 9

AlphaFold DB , UniProt , Accession A0A087YGZ4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 571 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
1M35.4Very low53.1Low239 Ų239132.2 Ų132.2100%1.17773%0.734SS**  0153.10-75168.7163.900108.6
2S40.8Very low55Low118 Ų118129 Ų12983%0.82571%0.709SS**  trans49.4103.1159.6-49.50000119.4
3S48.4Very low57.2Low126 Ų126125.7 Ų125.788%0.88168%0.683SS**  trans-88.1103.3162.751.50000110.9
4A48.1Very low59.2Low77 Ų77121 Ų12164%0.63666%0.657SS**  trans-159.994.9174.800000113
5V45.9Very low60.9Low141 Ų141115.3 Ų115.386%0.85563%0.633SS**  trans-178.975.6140.8-91.60000109.4
6D56.7Low62.4Low142 Ų142114.8 Ų114.876%0.75963%0.625SS**  trans-132.442.6165.6-156.9-5.3000109.8K13D6-K13 PolarHBondContact O-NZ 3.37Å
7L47.1Very low64Low138 Ų138113.6 Ų113.672%0.72362%0.618SS**  trans-124.761.3-157.2-62.2177.1000112.2T9L7-T9 PolarHBondContact O-N 2.99Å
8K57.1Low65.5Low103 Ų103112.1 Ų112.145%0.44861%0.609SS.*SBend-55.6123.8124.5-93-161.7177.1-168.70106E12 K13 E16K8-E12 WeakPolarHBondContact CA-OE2 3.31Å; K8-E12 WeakPolarHBondContact CB-OE2 2.96Å; K8-K13 HydrophobicContact CB-CD 4.44Å; K8-K13 HydrophobicContact CB-CG 4.35Å; K8-K13 PolarHBondContact O-NZ 3.43Å; K8-E16 IonicContact NZ-OE1 3.43Å; K8-E16 PolarHBondContact NZ-OE1 3.33Å; K8-E16 IonicContact NZ-OE2 3.86Å; K8-E16 PolarHBondContact NZ-OE2 3.06Å
9T62.3Low66.9Low60 Ų60113.7 Ų113.737%0.36861%0.609SS.*  trans-59.2153.9-173.571.40000109.5L7 E11 E12 K13L7-T9 PolarHBondContact O-N 2.99Å; T9-E11 PolarHBondContact O-N 3.07Å; T9-E12 PolarHBondContact N-OE2 3.25Å; T9-E12 PolarHBondContact O-N 2.85Å; T9-E12 WeakPolarHBondContact OG1-CG 3.47Å; T9-E12 PolarHBondContact OG1-N 3.42Å; T9-K13 PolarHBondContact O-N 2.72Å
10K69.4Low68.3Low156 Ų156116.8 Ų116.868%0.67861%0.612SS**Hα-helixtrans-56.5-41.2176-170.1-168.4170.1-86.40109.9K13 D14K10-K13 WeakPolarHBondContact O-CB 3.14Å; K10-K13 PolarHBondContact O-N 2.94Å; K10-D14 IonicContact NZ-OD2 3.15Å; K10-D14 PolarHBondContact NZ-OD2 3.11Å; K10-D14 WeakPolarHBondContact O-CB 3.39Å; K10-D14 PolarHBondContact O-N 2.7Å
11E72.9Confident69.5Low154 Ų154114.5 Ų114.572%0.7260%0.6SS**Hα-helixtrans-58.2-41.6175.6-174.3170.4-15600113.8T9 D14 A15T9-E11 PolarHBondContact O-N 3.07Å; E11-D14 PolarHBondContact O-N 2.98Å; E11-A15 WeakPolarHBondContact O-CB 3.14Å; E11-A15 PolarHBondContact O-N 3.13Å
12E76.1Confident72.2Confident94 Ų94108.6 Ų108.644%0.43957%0.569SS.*Hα-helixtrans-63.4-41.8172.7-78.3171.3157.200112.7K8 T9 A15 E16K8-E12 WeakPolarHBondContact CA-OE2 3.31Å; K8-E12 WeakPolarHBondContact CB-OE2 2.96Å; T9-E12 PolarHBondContact N-OE2 3.25Å; T9-E12 PolarHBondContact O-N 2.85Å; T9-E12 WeakPolarHBondContact OG1-CG 3.47Å; T9-E12 PolarHBondContact OG1-N 3.42Å; E12-A15 PolarHBondContact O-N 3.15Å; E12-E16 WeakPolarHBondContact O-CB 3.39Å; E12-E16 WeakPolarHBondContact O-CG 3.48Å; E12-E16 PolarHBondContact O-N 2.89Å
13K83.4Confident74.7Confident86 Ų86105.2 Ų105.237%0.37455%0.548SS..Hα-helixtrans-67.4-42.2178.6-71160.7175.3145.90110.8D6 K8 T9 K10 E16 L17D6-K13 PolarHBondContact O-NZ 3.37Å; K8-K13 HydrophobicContact CB-CD 4.44Å; K8-K13 HydrophobicContact CB-CG 4.35Å; K8-K13 PolarHBondContact O-NZ 3.43Å; T9-K13 PolarHBondContact O-N 2.72Å; K10-K13 WeakPolarHBondContact O-CB 3.14Å; K10-K13 PolarHBondContact O-N 2.94Å; K13-E16 PolarHBondContact O-N 2.71Å; K13-L17 WeakPolarHBondContact O-CG 3.5Å; K13-L17 PolarHBondContact O-N 3.47Å; K13-L17 VanDerWaalsContact O-N 3.12Å
14D84.8Confident76.9Confident60 Ų60103.5 Ų103.532%0.32153%0.529SS..Hα-helixtrans-65.4-42.4175.5-66.3-21.6000110.5K10 E11 E16 L17 D18K10-D14 IonicContact NZ-OD2 3.15Å; K10-D14 PolarHBondContact NZ-OD2 3.11Å; K10-D14 WeakPolarHBondContact O-CB 3.39Å; K10-D14 PolarHBondContact O-N 2.7Å; E11-D14 PolarHBondContact O-N 2.98Å; D14-E16 PolarHBondContact O-N 2.9Å; D14-L17 CarbonylContact O-C 3.59Å; D14-L17 WeakPolarHBondContact O-CA 3.4Å; D14-L17 WeakPolarHBondContact O-CB 3.39Å; D14-L17 PolarHBondContact O-N 3.21Å; D14-L17 VanDerWaalsContact O-N 3.08Å; D14-D18 PolarHBondContact O-N 2.82Å
15A85.6Confident79Confident36 Ų36107.3 Ų107.330%0.29853%0.527SS..Hα-helixtrans-68.4-30.8175.600000113.8E11 E12 L17 K19E11-A15 WeakPolarHBondContact O-CB 3.14Å; E11-A15 PolarHBondContact O-N 3.13Å; E12-A15 PolarHBondContact O-N 3.15Å; A15-L17 VanDerWaalsContact C-N 3.32Å; A15-K19 WeakPolarHBondContact O-CB 3.45Å; A15-K19 WeakPolarHBondContact O-CD 3.46Å; A15-K19 WeakPolarHBondContact O-CG 3.42Å; A15-K19 PolarHBondContact O-N 2.85Å
16E83.8Confident81.4Confident106 Ų106108 Ų10850%0.49552%0.519SS..Hα-helixtrans-65.5-35.6168.3-82.7179.7-163.700111.8K8 E12 K13 D14 R20K8-E16 IonicContact NZ-OE1 3.43Å; K8-E16 PolarHBondContact NZ-OE1 3.33Å; K8-E16 IonicContact NZ-OE2 3.86Å; K8-E16 PolarHBondContact NZ-OE2 3.06Å; E12-E16 WeakPolarHBondContact O-CB 3.39Å; E12-E16 WeakPolarHBondContact O-CG 3.48Å; E12-E16 PolarHBondContact O-N 2.89Å; K13-E16 PolarHBondContact O-N 2.71Å; D14-E16 PolarHBondContact O-N 2.9Å; E16-R20 WeakPolarHBondContact O-CB 3.38Å; E16-R20 PolarHBondContact O-N 3.24Å
17L90Very high83.3Confident96 Ų96107.9 Ų107.950%0.50351%0.511SS..Hα-helixtrans-70.6-44.7173.7-68.9172.1000111.8K13 D14 A15 R20 I21K13-L17 WeakPolarHBondContact O-CG 3.5Å; K13-L17 PolarHBondContact O-N 3.47Å; K13-L17 VanDerWaalsContact O-N 3.12Å; D14-L17 CarbonylContact O-C 3.59Å; D14-L17 WeakPolarHBondContact O-CA 3.4Å; D14-L17 WeakPolarHBondContact O-CB 3.39Å; D14-L17 PolarHBondContact O-N 3.21Å; D14-L17 VanDerWaalsContact O-N 3.08Å; A15-L17 VanDerWaalsContact C-N 3.32Å; L17-R20 CarbonylContact O-C 3.57Å; L17-R20 WeakPolarHBondContact O-CA 3.16Å; L17-R20 WeakPolarHBondContact O-CB 3.39Å; L17-R20 PolarHBondContact O-N 3.15Å; L17-R20 VanDerWaalsContact O-N 3.09Å; L17-I21 VanDerWaalsContact O-CG1 3.3Å; L17-I21 WeakPolarHBondContact O-CG1 3.37Å; L17-I21 PolarHBondContact O-N 3.32Å
18D90.9Very high85.5Confident86 Ų86105.7 Ų105.746%0.4650%0.5SS..Hα-helixtrans-64.4-44178.6-80.9-36.5000112D14 R20 I21 E22D14-D18 PolarHBondContact O-N 2.82Å; D18-R20 PolarHBondContact O-N 2.78Å; D18-I21 CarbonylContact O-C 3.6Å; D18-I21 WeakPolarHBondContact O-CA 2.97Å; D18-I21 WeakPolarHBondContact O-CB 3.32Å; D18-I21 PolarHBondContact O-N 3.41Å; D18-E22 WeakPolarHBondContact O-CG 3.42Å; D18-E22 PolarHBondContact O-N 3.44Å
19K92.9Very high87.3Confident142 Ų142105.4 Ų105.462%0.61750%0.5SS*.Hα-helixtrans-56.5-35.2171.5-72.6164.7-173.4166.50112.2A15 A23A15-K19 WeakPolarHBondContact O-CB 3.45Å; A15-K19 WeakPolarHBondContact O-CD 3.46Å; A15-K19 WeakPolarHBondContact O-CG 3.42Å; A15-K19 PolarHBondContact O-N 2.85Å; K19-A23 VanDerWaalsContact O-CB 3.27Å; K19-A23 WeakPolarHBondContact O-CB 3.18Å; K19-A23 PolarHBondContact O-N 3.27Å
20R94.6Very high88.8Confident175 Ų175105.2 Ų105.266%0.6651%0.505SS*.Hα-helixtrans-73.3-36.6174.8-176.2176.6-179.5161.90.3112.5E16 L17 D18 L24E16-R20 WeakPolarHBondContact O-CB 3.38Å; E16-R20 PolarHBondContact O-N 3.24Å; L17-R20 CarbonylContact O-C 3.57Å; L17-R20 WeakPolarHBondContact O-CA 3.16Å; L17-R20 WeakPolarHBondContact O-CB 3.39Å; L17-R20 PolarHBondContact O-N 3.15Å; L17-R20 VanDerWaalsContact O-N 3.09Å; D18-R20 PolarHBondContact O-N 2.78Å; R20-L24 VanDerWaalsContact O-CG 3.32Å; R20-L24 WeakPolarHBondContact O-CG 3.3Å; R20-L24 PolarHBondContact O-N 3.42Å
21I93.1Very high89.9Confident69 Ų69102.2 Ų102.235%0.35450%0.496SS..Hα-helixtrans-67.2-43.6175.1-69.9162.9000110.2L17 D18 L24 R25L17-I21 VanDerWaalsContact O-CG1 3.3Å; L17-I21 WeakPolarHBondContact O-CG1 3.37Å; L17-I21 PolarHBondContact O-N 3.32Å; D18-I21 CarbonylContact O-C 3.6Å; D18-I21 WeakPolarHBondContact O-CA 2.97Å; D18-I21 WeakPolarHBondContact O-CB 3.32Å; D18-I21 PolarHBondContact O-N 3.41Å; I21-L24 CarbonylContact O-C 3.53Å; I21-L24 WeakPolarHBondContact O-CB 3.35Å; I21-L24 PolarHBondContact O-N 3.38Å; I21-R25 HydrophobicContact CG2-CG 4.5Å; I21-R25 VanDerWaalsContact CG2-CZ 3.47Å; I21-R25 WeakPolarHBondContact O-CG 3.18Å; I21-R25 PolarHBondContact O-N 2.92Å
22E93Very high90.9Very high115 Ų11598.8 Ų98.854%0.53749%0.485SS..Hα-helixtrans-63.8-44.6174.1-70.7-176.7162.700112.3D18 L24 R25 K26D18-E22 WeakPolarHBondContact O-CG 3.42Å; D18-E22 PolarHBondContact O-N 3.44Å; E22-L24 PolarHBondContact O-N 3.22Å; E22-R25 PolarHBondContact O-N 3.25Å; E22-R25 VanDerWaalsContact O-N 3.15Å; E22-K26 WeakPolarHBondContact O-CB 3.4Å; E22-K26 PolarHBondContact O-N 3.44Å
23A91.9Very high91.9Very high47 Ų4799.9 Ų99.939%0.38849%0.488SS..Hα-helixtrans-60.7-30.917400000112.6K19 K27K19-A23 VanDerWaalsContact O-CB 3.27Å; K19-A23 WeakPolarHBondContact O-CB 3.18Å; K19-A23 PolarHBondContact O-N 3.27Å; A23-K27 WeakPolarHBondContact O-CB 3.49Å; A23-K27 WeakPolarHBondContact O-CD 3.49Å; A23-K27 WeakPolarHBondContact O-CG 3.48Å; A23-K27 PolarHBondContact O-N 2.85Å
24L94.4Very high92.4Very high90 Ų90102.6 Ų102.647%0.47150%0.496SS..Hα-helixtrans-75.9-42.9171.6-74.5168.7000112.2R20 I21 E22 K26 K27 N28R20-L24 VanDerWaalsContact O-CG 3.32Å; R20-L24 WeakPolarHBondContact O-CG 3.3Å; R20-L24 PolarHBondContact O-N 3.42Å; I21-L24 CarbonylContact O-C 3.53Å; I21-L24 WeakPolarHBondContact O-CB 3.35Å; I21-L24 PolarHBondContact O-N 3.38Å; E22-L24 PolarHBondContact O-N 3.22Å; L24-K26 PolarHBondContact O-N 2.75Å; L24-K27 PolarHBondContact O-N 2.92Å; L24-N28 WeakPolarHBondContact O-CB 3.37Å; L24-N28 PolarHBondContact O-N 3.06Å; L24-N28 PolarHBondContact O-OD1 3.06Å
25R93.5Very high92.8Very high157 Ų157107.5 Ų107.559%0.59251%0.512SS*.Hα-helixtrans-56.2-49.9173.9-74.1171.6179.1149.81110.8I21 E22 K27 N28 E29I21-R25 HydrophobicContact CG2-CG 4.5Å; I21-R25 VanDerWaalsContact CG2-CZ 3.47Å; I21-R25 WeakPolarHBondContact O-CG 3.18Å; I21-R25 PolarHBondContact O-N 2.92Å; E22-R25 PolarHBondContact O-N 3.25Å; E22-R25 VanDerWaalsContact O-N 3.15Å; R25-K27 PolarHBondContact O-N 3.11Å; R25-N28 PolarHBondContact O-N 2.92Å; R25-E29 WeakPolarHBondContact O-CB 3.36Å; R25-E29 PolarHBondContact O-N 3.44Å
26K96.2Very high93.3Very high157 Ų157110.8 Ų110.868%0.68352%0.521SS*.Hα-helixtrans-63.9-35.6178.7-170169.7-175.61710113.1E22 L24 A30E22-K26 WeakPolarHBondContact O-CB 3.4Å; E22-K26 PolarHBondContact O-N 3.44Å; L24-K26 PolarHBondContact O-N 2.75Å; K26-A30 WeakPolarHBondContact O-CB 3.33Å; K26-A30 PolarHBondContact O-N 2.98Å
27K96.8Very high93.7Very high138 Ų138111.2 Ų111.260%0.652%0.523SS*.Hα-helixtrans-68.8-41.2172.4-77.9172.2-178178.50112.1A23 L24 R25 A30 L31A23-K27 WeakPolarHBondContact O-CB 3.49Å; A23-K27 WeakPolarHBondContact O-CD 3.49Å; A23-K27 WeakPolarHBondContact O-CG 3.48Å; A23-K27 PolarHBondContact O-N 2.85Å; L24-K27 PolarHBondContact O-N 2.92Å; R25-K27 PolarHBondContact O-N 3.11Å; K27-A30 PolarHBondContact O-N 3.47Å; K27-L31 WeakPolarHBondContact O-CG 3.38Å; K27-L31 PolarHBondContact O-N 3.44Å
28N92.9Very high93.8Very high93 Ų93110.3 Ų110.350%0.49752%0.518SS..Hα-helixtrans-67.2-39.9176.6-67.7-8.7000111.4L24 R25 L31 V32L24-N28 WeakPolarHBondContact O-CB 3.37Å; L24-N28 PolarHBondContact O-N 3.06Å; L24-N28 PolarHBondContact O-OD1 3.06Å; R25-N28 PolarHBondContact O-N 2.92Å; N28-L31 WeakPolarHBondContact O-CB 3.3Å; N28-L31 PolarHBondContact O-N 3.24Å; N28-V32 WeakPolarHBondContact O-CG2 3.45Å; N28-V32 PolarHBondContact O-N 2.78Å
29E94.1Very high93.8Very high96 Ų96112.6 Ų112.645%0.44953%0.526SS..Hα-helixtrans-60.4-46.3173.1-170.9-157.1145.800111.5R25 L31 V32 K33R25-E29 WeakPolarHBondContact O-CB 3.36Å; R25-E29 PolarHBondContact O-N 3.44Å; E29-L31 VanDerWaalsContact C-N 3.31Å; E29-L31 PolarHBondContact O-N 3.08Å; E29-V32 PolarHBondContact O-N 3.39Å; E29-K33 HydrophobicContact CG-CD 4.39Å; E29-K33 WeakPolarHBondContact O-CB 3.44Å; E29-K33 WeakPolarHBondContact O-CG 3.49Å; E29-K33 PolarHBondContact O-N 2.8Å; E29-K33 WeakPolarHBondContact OE1-CE 3.49Å; E29-K33 IonicContact OE1-NZ 3.55Å; E29-K33 PolarHBondContact OE1-NZ 2.84Å
30A93.9Very high93.7Very high57 Ų57112.3 Ų112.347%0.47153%0.527SS..Hα-helixtrans-62.4-36.5175.400000112.5K26 K27 R34K26-A30 WeakPolarHBondContact O-CB 3.33Å; K26-A30 PolarHBondContact O-N 2.98Å; K27-A30 PolarHBondContact O-N 3.47Å; A30-R34 WeakPolarHBondContact O-CB 3.49Å; A30-R34 PolarHBondContact O-N 3.46Å
31L92.6Very high93.4Very high93 Ų93108.5 Ų108.549%0.48752%0.519SS..Hα-helixtrans-65.7-45.1172.5-73.4169.2000111.8K27 N28 E29 R34 Y35K27-L31 WeakPolarHBondContact O-CG 3.38Å; K27-L31 PolarHBondContact O-N 3.44Å; N28-L31 WeakPolarHBondContact O-CB 3.3Å; N28-L31 PolarHBondContact O-N 3.24Å; E29-L31 VanDerWaalsContact C-N 3.31Å; E29-L31 PolarHBondContact O-N 3.08Å; L31-R34 PolarHBondContact O-N 2.98Å; L31-Y35 WeakPolarHBondContact O-CD2 3.35Å; L31-Y35 PolarHBondContact O-N 3.02Å
32V94.7Very high93.4Very high81 Ų81110.9 Ų110.949%0.49153%0.527SS..Hα-helixtrans-61.5-46.4176.7169.80000111.1N28 E29 R34 Y35 Q36N28-V32 WeakPolarHBondContact O-CG2 3.45Å; N28-V32 PolarHBondContact O-N 2.78Å; E29-V32 PolarHBondContact O-N 3.39Å; V32-R34 VanDerWaalsContact C-N 3.35Å; V32-R34 PolarHBondContact O-N 3.37Å; V32-Y35 PolarHBondContact O-N 2.65Å; V32-Y35 VanDerWaalsContact O-N 3.11Å; V32-Q36 WeakPolarHBondContact O-CG 3.2Å; V32-Q36 PolarHBondContact O-N 3.15Å
33K96.1Very high93.2Very high117 Ų117111.8 Ų111.851%0.50953%0.529SS..Hα-helixtrans-58.8-44.1175.5-78175.6168.8172.10111.9E29 Y35 Q36 E37E29-K33 HydrophobicContact CG-CD 4.39Å; E29-K33 WeakPolarHBondContact O-CB 3.44Å; E29-K33 WeakPolarHBondContact O-CG 3.49Å; E29-K33 PolarHBondContact O-N 2.8Å; E29-K33 WeakPolarHBondContact OE1-CE 3.49Å; E29-K33 IonicContact OE1-NZ 3.55Å; E29-K33 PolarHBondContact OE1-NZ 2.84Å; K33-Y35 VanDerWaalsContact C-N 3.33Å; K33-Y35 PolarHBondContact O-N 3.43Å; K33-Q36 PolarHBondContact O-N 2.8Å; K33-E37 WeakPolarHBondContact O-CB 3.42Å; K33-E37 PolarHBondContact O-N 2.87Å
34R94.9Very high93Very high143 Ų143114.5 Ų114.554%0.5453%0.532SS..Hα-helixtrans-65.2-32.8174.9-173.8175.9177.1-83.9-4.3113A30 L31 V32 I38A30-R34 WeakPolarHBondContact O-CB 3.49Å; A30-R34 PolarHBondContact O-N 3.46Å; L31-R34 PolarHBondContact O-N 2.98Å; V32-R34 VanDerWaalsContact C-N 3.35Å; V32-R34 PolarHBondContact O-N 3.37Å; R34-I38 HydrophobicContact CG-CD1 3.99Å; R34-I38 WeakPolarHBondContact O-CB 3.41Å; R34-I38 WeakPolarHBondContact O-CD1 3.41Å; R34-I38 WeakPolarHBondContact O-CG1 3.4Å; R34-I38 PolarHBondContact O-N 3.23Å
35Y93.5Very high92.2Very high164 Ų164111.9 Ų111.964%0.64352%0.524SS*.Hα-helixtrans-69.7-39.3173.1-85.3-65.9000112.1L31 V32 K33 I38 E39L31-Y35 WeakPolarHBondContact O-CD2 3.35Å; L31-Y35 PolarHBondContact O-N 3.02Å; V32-Y35 PolarHBondContact O-N 2.65Å; V32-Y35 VanDerWaalsContact O-N 3.11Å; K33-Y35 VanDerWaalsContact C-N 3.33Å; K33-Y35 PolarHBondContact O-N 3.43Å; Y35-I38 PolarHBondContact O-N 3.19Å; Y35-E39 WeakPolarHBondContact O-CB 3.31Å; Y35-E39 PolarHBondContact O-N 2.82Å
36Q95.3Very high91.5Very high104 Ų104110 Ų11049%0.48652%0.521SS..Hα-helixtrans-64.1-48.2173.6-70.8171.3-3300111.2V32 K33 I38 E39 E40V32-Q36 WeakPolarHBondContact O-CG 3.2Å; V32-Q36 PolarHBondContact O-N 3.15Å; K33-Q36 PolarHBondContact O-N 2.8Å; Q36-I38 VanDerWaalsContact C-N 3.35Å; Q36-I38 PolarHBondContact O-N 3.28Å; Q36-E39 CarbonylContact O-C 3.58Å; Q36-E39 PolarHBondContact O-N 3.48Å; Q36-E39 VanDerWaalsContact O-N 3.08Å; Q36-E40 WeakPolarHBondContact O-CB 3.32Å; Q36-E40 WeakPolarHBondContact O-CG 3.4Å; Q36-E40 PolarHBondContact O-N 3.42Å
37E92.4Very high90.3Very high116 Ų116109.8 Ų109.854%0.54252%0.523SS..Hα-helixtrans-53.1-47.8173.3179.2-177.6-141.300111.8K33 E39 E40 D41K33-E37 WeakPolarHBondContact O-CB 3.42Å; K33-E37 PolarHBondContact O-N 2.87Å; E37-E39 PolarHBondContact O-N 3.03Å; E37-E40 PolarHBondContact O-N 2.86Å; E37-D41 WeakPolarHBondContact O-CB 3.4Å; E37-D41 PolarHBondContact O-N 3.42Å
38I91.8Very high89.1Confident77 Ų77108.5 Ų108.540%0.39552%0.519SS..Hα-helixtrans-65.3-35.9176.7-72.3167000112.4R34 Y35 Q36 K42R34-I38 HydrophobicContact CG-CD1 3.99Å; R34-I38 WeakPolarHBondContact O-CB 3.41Å; R34-I38 WeakPolarHBondContact O-CD1 3.41Å; R34-I38 WeakPolarHBondContact O-CG1 3.4Å; R34-I38 PolarHBondContact O-N 3.23Å; Y35-I38 PolarHBondContact O-N 3.19Å; Q36-I38 VanDerWaalsContact C-N 3.35Å; Q36-I38 PolarHBondContact O-N 3.28Å; I38-K42 WeakPolarHBondContact O-CB 3.41Å; I38-K42 PolarHBondContact O-N 3.42Å
39E91.1Very high87.5Confident134 Ų134107 Ų10763%0.62653%0.525SS*.Hα-helixtrans-73.1-37.5176.9-174.7160.6-140.800111.9Y35 Q36 E37 K43Y35-E39 WeakPolarHBondContact O-CB 3.31Å; Y35-E39 PolarHBondContact O-N 2.82Å; Q36-E39 CarbonylContact O-C 3.58Å; Q36-E39 PolarHBondContact O-N 3.48Å; Q36-E39 VanDerWaalsContact O-N 3.08Å; E37-E39 PolarHBondContact O-N 3.03Å; E39-K43 WeakPolarHBondContact O-CB 3.2Å; E39-K43 PolarHBondContact O-N 2.8Å
40E90.6Very high85.5Confident136 Ų136108.3 Ų108.364%0.63653%0.534SS*.Hα-helixtrans-66.5-48.6173.5-73.6179.9-170.200111.6Q36 E37 K42 K43 K44Q36-E40 WeakPolarHBondContact O-CB 3.32Å; Q36-E40 WeakPolarHBondContact O-CG 3.4Å; Q36-E40 PolarHBondContact O-N 3.42Å; E37-E40 PolarHBondContact O-N 2.86Å; E40-K42 VanDerWaalsContact C-N 3.34Å; E40-K42 PolarHBondContact O-N 2.89Å; E40-K43 CarbonylContact O-C 3.58Å; E40-K43 PolarHBondContact O-N 3.26Å; E40-K44 WeakPolarHBondContact O-CB 3.18Å; E40-K44 PolarHBondContact O-N 3Å
41D89.4Confident83.3Confident95 Ų95107.4 Ų107.451%0.50853%0.527SS..Hα-helixtrans-61.6-40.3175.1-99.3-7.2000111.9E37 K44 A45E37-D41 WeakPolarHBondContact O-CB 3.4Å; E37-D41 PolarHBondContact O-N 3.42Å; D41-K44 PolarHBondContact O-N 2.7Å; D41-A45 VanDerWaalsContact O-CB 3.3Å; D41-A45 WeakPolarHBondContact O-CB 3.46Å; D41-A45 PolarHBondContact O-N 3.2Å
42K91.6Very high80.9Confident119 Ų119109.4 Ų109.452%0.51754%0.542SS..Hα-helixtrans-61.4-51.1173.4179.2-165.4162.8-159.30110.8I38 E40 K44 A45 E46I38-K42 WeakPolarHBondContact O-CB 3.41Å; I38-K42 PolarHBondContact O-N 3.42Å; E40-K42 VanDerWaalsContact C-N 3.34Å; E40-K42 PolarHBondContact O-N 2.89Å; K42-K44 PolarHBondContact O-N 3.32Å; K42-A45 PolarHBondContact O-N 3Å; K42-E46 WeakPolarHBondContact CE-OE1 3.27Å; K42-E46 IonicContact NZ-OE1 3.77Å; K42-E46 WeakPolarHBondContact O-CB 3.49Å; K42-E46 WeakPolarHBondContact O-CG 3.34Å; K42-E46 PolarHBondContact O-N 3.13Å
43K89.1Confident78.6Confident134 Ų134111.1 Ų111.158%0.58355%0.554SS**Hα-helixtrans-64.9-28.6-178.9-169-178.6-178.1-178.60111.8E39 E40 Q47E39-K43 WeakPolarHBondContact O-CB 3.2Å; E39-K43 PolarHBondContact O-N 2.8Å; E40-K43 CarbonylContact O-C 3.58Å; E40-K43 PolarHBondContact O-N 3.26Å; K43-Q47 WeakPolarHBondContact O-CB 3.27Å; K43-Q47 VanDerWaalsContact O-CG 3.31Å; K43-Q47 WeakPolarHBondContact O-CG 3.1Å; K43-Q47 PolarHBondContact O-N 3.22Å; K43-Q47 VanDerWaalsContact O-N 3.15Å; K43-Q47 PolarHBondContact O-NE2 2.83Å
44K88.1Confident76Confident104 Ų104110.4 Ų110.445%0.45256%0.559SS.*Hα-helixtrans-74.1-47.4172.5179.3-179.1170.2-167.50111.6E40 D41 K42 E46 Q47 E48E40-K44 WeakPolarHBondContact O-CB 3.18Å; E40-K44 PolarHBondContact O-N 3Å; D41-K44 PolarHBondContact O-N 2.7Å; K42-K44 PolarHBondContact O-N 3.32Å; K44-E46 VanDerWaalsContact C-N 3.25Å; K44-E46 PolarHBondContact O-N 3.09Å; K44-Q47 CarbonylContact O-C 3.6Å; K44-Q47 PolarHBondContact O-N 3.04Å; K44-E48 WeakPolarHBondContact CE-OE1 3.42Å; K44-E48 HydrophobicContact CG-CG 4.34Å; K44-E48 VanDerWaalsContact CG-OE1 3.32Å; K44-E48 WeakPolarHBondContact CG-OE1 3.46Å; K44-E48 WeakPolarHBondContact O-CB 3.38Å; K44-E48 WeakPolarHBondContact O-CG 3.36Å; K44-E48 PolarHBondContact O-N 2.86Å
45A78.3Confident73.5Confident35 Ų35108.8 Ų108.829%0.28957%0.567SS.*Hα-helixtrans-63.4-29.6175.300000113.2D41 K42 G49 I50 A51D41-A45 VanDerWaalsContact O-CB 3.3Å; D41-A45 WeakPolarHBondContact O-CB 3.46Å; D41-A45 PolarHBondContact O-N 3.2Å; K42-A45 PolarHBondContact O-N 3Å; A45-G49 PolarHBondContact O-N 2.8Å; A45-I50 PolarHBondContact O-N 3.01Å; A45-A51 PolarHBondContact O-N 2.99Å
46E77.9Confident70.9Confident117 Ų117112.1 Ų112.155%0.54758%0.579SS.*Hα-helixtrans-70-41.5169.2-74.7175.1177.300112.1K42 K44 G49K42-E46 WeakPolarHBondContact CE-OE1 3.27Å; K42-E46 IonicContact NZ-OE1 3.77Å; K42-E46 WeakPolarHBondContact O-CB 3.49Å; K42-E46 WeakPolarHBondContact O-CG 3.34Å; K42-E46 PolarHBondContact O-N 3.13Å; K44-E46 VanDerWaalsContact C-N 3.25Å; K44-E46 PolarHBondContact O-N 3.09Å; E46-G49 PolarHBondContact O-N 2.83Å
47Q71.3Confident68.2Low153 Ų153115.6 Ų115.672%0.71559%0.592SS**Hα-helixtrans-70.5-37.3175.6-79.6169.288.700113.6K43 K44 G49K43-Q47 WeakPolarHBondContact O-CB 3.27Å; K43-Q47 VanDerWaalsContact O-CG 3.31Å; K43-Q47 WeakPolarHBondContact O-CG 3.1Å; K43-Q47 PolarHBondContact O-N 3.22Å; K43-Q47 VanDerWaalsContact O-N 3.15Å; K43-Q47 PolarHBondContact O-NE2 2.83Å; K44-Q47 CarbonylContact O-C 3.6Å; K44-Q47 PolarHBondContact O-N 3.04Å; Q47-G49 PolarHBondContact O-N 3.24Å
48E70.9Confident65.7Low111 Ų111115.6 Ų115.652%0.51960%0.602SS.*THydrogen-bonded Turntrans-76.8-10.2177.9-69.7175-178.400112.1K44 I50K44-E48 WeakPolarHBondContact CE-OE1 3.42Å; K44-E48 HydrophobicContact CG-CG 4.34Å; K44-E48 VanDerWaalsContact CG-OE1 3.32Å; K44-E48 WeakPolarHBondContact CG-OE1 3.46Å; K44-E48 WeakPolarHBondContact O-CB 3.38Å; K44-E48 WeakPolarHBondContact O-CG 3.36Å; K44-E48 PolarHBondContact O-N 2.86Å; E48-I50 HydrophobicContact CB-CD1 4.13Å; E48-I50 HydrophobicContact CB-CG1 4.33Å; E48-I50 PolarHBondContact O-N 3.27Å
49G59.6Low63Low61 Ų61123.6 Ų123.663%0.62963%0.627SS**THydrogen-bonded Turntrans70.49.4175.500000115A45 E46 Q47A45-G49 PolarHBondContact O-N 2.8Å; E46-G49 PolarHBondContact O-N 2.83Å; Q47-G49 PolarHBondContact O-N 3.24Å
50I53.3Low60.3Low123 Ų123123.2 Ų123.263%0.63164%0.635SS**  trans-82-17.9-177.4-62.9169.1000111.3A45 E48 V52A45-I50 PolarHBondContact O-N 3.01Å; E48-I50 HydrophobicContact CB-CD1 4.13Å; E48-I50 HydrophobicContact CB-CG1 4.33Å; E48-I50 PolarHBondContact O-N 3.27Å; I50-V52 PolarHBondContact O-N 3.15Å
51A46.8Very low57.6Low39 Ų39125 Ų12532%0.32264%0.642SS.*SBendtrans-56.7113.6171.800000110.9A45 T53A45-A51 PolarHBondContact O-N 2.99Å; A51-T53 HydrophobicContact CB-CG2 4.39Å; A51-T53 PolarHBondContact O-N 3.31Å
52V43.3Very low54.9Low134 Ų134128.4 Ų128.481%0.81266%0.655SS**  trans-74.763.5176.4-172.40000110.1I50 T54I50-V52 PolarHBondContact O-N 3.15Å; V52-T54 PolarHBondContact O-N 2.98Å
53T45.3Very low52.6Low118 Ų118127.7 Ų127.772%0.72466%0.663SS**  trans-7186.1165.257.80000108A51A51-T53 HydrophobicContact CB-CG2 4.39Å; A51-T53 PolarHBondContact O-N 3.31Å
54T42.3Very low50Low101 Ų101131 Ų13162%0.6268%0.681SS**  trans-48.9129.7158.555.30000107.6V52 R56V52-T54 PolarHBondContact O-N 2.98Å; T54-R56 PolarHBondContact O-N 2.9Å
55P40.8Very low47.8Very low110 Ų110130.1 Ų130.171%0.71469%0.692SS**  trans-7675.8-168.128.8-35.7000111.4K57P55-K57 VanDerWaalsContact C-N 3.34Å; P55-K57 PolarHBondContact O-N 3.06Å
56R40.4Very low46.1Very low234 Ų234135.1 Ų135.188%0.88371%0.714SS**  trans-58.8100.4157.9-88.1-169.3144.8126.30.3107T54T54-R56 PolarHBondContact O-N 2.9Å
57K39Very low44.2Very low176 Ų176141.7 Ų141.777%0.76573%0.734SS**  trans-46131.3170.1-91.770.8173.9-1790108.4P55 R59P55-K57 VanDerWaalsContact C-N 3.34Å; P55-K57 PolarHBondContact O-N 3.06Å; K57-R59 PolarHBondContact O-N 3.23Å; K57-R59 VanDerWaalsContact O-N 3.13Å
58P39.7Very low42.9Very low117 Ų117145.2 Ų145.276%0.7674%0.741SS**  trans-58.8121.3166.125.8-32.2000107.5T60P58-T60 PolarHBondContact O-N 2.95Å
59R33.8Very low41.5Very low244 Ų244149.1 Ų149.192%0.92176%0.756SS**  trans-69.799.7175.8176.5177.1169131.2-1.8107.4K57 H61K57-R59 PolarHBondContact O-N 3.23Å; K57-R59 VanDerWaalsContact O-N 3.13Å; R59-H61 PolarHBondContact O-N 3.09Å; R59-H61 VanDerWaalsContact O-N 3.07Å
60T35Very low40.4Very low127 Ų127151.8 Ų151.878%0.77976%0.76SS**  trans-56.6111.6174.443.20000109.6P58 E62P58-T60 PolarHBondContact O-N 2.95Å; T60-E62 VanDerWaalsContact C-N 3.27Å; T60-E62 PolarHBondContact O-N 2.8Å; T60-E62 VanDerWaalsContact O-N 3.11Å
61H34.7Very low39.4Very low172 Ų172154 Ų15480%0.79677%0.768SS**  trans-8277.5170.9-178.8-68.9000108.6R59R59-H61 PolarHBondContact O-N 3.09Å; R59-H61 VanDerWaalsContact O-N 3.07Å
62E31.6Very low39.3Very low168 Ų168160.6 Ų160.679%0.78579%0.789SS**  trans-76.8135.5163.1-172.4174.5-146.800108.8T60 E64T60-E62 VanDerWaalsContact C-N 3.27Å; T60-E62 PolarHBondContact O-N 2.8Å; T60-E62 VanDerWaalsContact O-N 3.11Å; E62-E64 PolarHBondContact O-N 3.47Å
63P43.3Very low39.5Very low104 Ų104161.4 Ų161.468%0.67578%0.784SS**  trans-70.3114.1175.827.9-33.4000110.9A65P63-A65 PolarHBondContact O-N 2.88Å
64E35Very low39Very low204 Ų204162.4 Ų162.495%0.95379%0.785SS**  trans-69.492.3179.8-174.4176-163.600111.6E62E62-E64 PolarHBondContact O-N 3.47Å
65A42.3Very low38.9Very low84 Ų84164.4 Ų164.469%0.69479%0.791SS**  trans-144.9125.6173.400000113P63P63-A65 PolarHBondContact O-N 2.88Å
66D42.7Very low38.4Very low141 Ų141164.5 Ų164.575%0.75479%0.79SS**  trans47.983.5160.8-69.1-35.6000120.5
67R38.3Very low38.2Very low255 Ų255160.2 Ų160.296%0.96279%0.789SS**  trans-149.794131.3-100.1125.8-159.3-131.62.3113.5
68R42.2Very low38.1Very low226 Ų226157.5 Ų157.585%0.85379%0.788SS**  trans-85131.7162.2-56.7177.1-176.9-175.20.3110.2
69K41.6Very low38.2Very low194 Ų194157.9 Ų157.984%0.84379%0.788SS**  trans168.3152146-94.5151.8-172.5179.40110.7
70T37.1Very low38Very low117 Ų117152.3 Ų152.372%0.71878%0.776SS**  trans47.9128.4156.349.20000118.3
71E32.7Very low38.1Very low168 Ų168153.5 Ų153.579%0.78578%0.777SS**  cis-148.1153.79.7-93.9138.6151.400106.5
72K45.3Very low38.2Very low179 Ų179150.1 Ų150.178%0.77877%0.772SS**  cis54.976.341-86.7-156.7175-166.80114.8
73E46.8Very low38.6Very low150 Ų150151.2 Ų151.270%0.70178%0.775SS**  158.2144.4111.6-85.5158.9-144.100113.1
74N35.5Very low39Very low140 Ų140151.9 Ų151.975%0.74978%0.779SS**  trans66160.3161.4-53.6-32.6000116.4
75L38.5Very low38.7Very low143 Ų143147.1 Ų147.175%0.74978%0.775SS**  cis-141.7168.1-10.7-152.966.3000110.1
76T30.6Very low38.1Very low111 Ų111147 Ų14768%0.68178%0.781SS**  trans-46.7140.1176.151.30000116.4
77V36.9Very low37.7Very low144 Ų144149.1 Ų149.187%0.87379%0.787SS**  trans-118.1111.4147.6178.40000107.7
78T36.5Very low37.4Very low119 Ų119144.3 Ų144.373%0.7378%0.78SS**PPolyproline II helixtrans-79.2136.6179.5430000111.4
79V41.1Very low37.5Very low126 Ų126141.5 Ų141.576%0.76477%0.774SS**PPolyproline II helixtrans-78.6116.8167.2175.20000108.6L81V79-L81 HydrophobicContact CG1-CD1 3.85Å; V79-L81 HydrophobicContact CG1-CG 3.84Å
80D29.8Very low37.2Very low127 Ų127142.9 Ų142.968%0.67977%0.774SS**PPolyproline II helixtrans-102.3142.2163.4-160.6-42.1000109.1S82D80-S82 PolarHBondContact OD1-N 3.2Å; D80-S82 PolarHBondContact OD1-OG 3.46Å
81L38.7Very low37.1Very low152 Ų152142.5 Ų142.580%0.79677%0.771SS**  trans-138.861.7-172.3-85.1170.1000110.9V79V79-L81 HydrophobicContact CG1-CD1 3.85Å; V79-L81 HydrophobicContact CG1-CG 3.84Å
82S36.1Very low37.1Very low100 Ų100140.7 Ų140.770%0.69977%0.772SS**  trans-104.6136.4176.535.30000112.2D80D80-S82 PolarHBondContact OD1-N 3.2Å; D80-S82 PolarHBondContact OD1-OG 3.46Å
83K40.3Very low36.3Very low191 Ų191137.9 Ų137.983%0.8377%0.765SS**  trans-112178.4-178.2-77.4157.8176.3162.70108.3
84P50.4Low35.7Very low118 Ų118137.5 Ų137.577%0.76677%0.768SS**  cis-139.7-179.11041.4-22.1000116.9
85A28.8Very low35.4Very low105 Ų105142.9 Ų142.987%0.86878%0.778SS**  trans52.9124.2144.100000121.9
86G30.9Very low35.2Very low80 Ų80144.5 Ų144.583%0.82578%0.779SS**  trans-168.4126.5158.700000109.9
87Q33.8Very low35.6Very low186 Ų186145.4 Ų145.487%0.86979%0.787SS**  trans-90.2139.6167.5-63.9179.50.600108.1
88D32.3Very low35.2Very low155 Ų155143.9 Ų143.983%0.82978%0.782SS**  trans-153.2159.4144.5-133.1-35.8000113.5
89K44.6Very low35.6Very low167 Ų167144.6 Ų144.673%0.72679%0.786SS**  trans-133125.4-177.9-56.4172.2-175.4174.10109.5
90R35.8Very low35.6Very low222 Ų222143.5 Ų143.584%0.83878%0.782SS**  162.2143.6128.8-92.3163.3-77-163.3-1.6114.8
91V33.8Very low35.8Very low109 Ų109149.3 Ų149.366%0.66179%0.794SS**  trans57.8125.5135.1178.50000120.3
92V31.9Very low35.2Very low131 Ų131145.5 Ų145.579%0.79479%0.792SS**  177.998.7126.2152.30000104
93N30.2Very low35Very low120 Ų120152.5 Ų152.564%0.64280%0.803SS**  74.3117.377.6-74.221.5000114.5
94D33.6Very low34.5Very low141 Ų141152.6 Ų152.675%0.75480%0.803SS**  trans37.4121.3142.6-55.6-63.2000121.3
95W29.5Very low33.4Very low254 Ų254156.6 Ų156.696%0.96281%0.809SS**  trans-138.9114139.7-144.8-24.9000110.6
96K34.7Very low33.3Very low177 Ų177155.8 Ų155.877%0.7780%0.797SS**  trans-82.3143.5168-73.9-174.7176.6-177.10110.3
97P38.7Very low33.2Very low130 Ų130160 Ų16084%0.84480%0.795SS**  trans-72.5146.1176.131.3-34.9000111.2
98S28.2Very low32.8Very low111 Ų111159.7 Ų159.778%0.77679%0.793SS**  trans-125.3121.8169.1-173.80000110.3
99T43.7Very low32.4Very low134 Ų134157.1 Ų157.182%0.82279%0.788SS**  trans-108.8147.3154.663.50000106.5
100P42.3Very low31.6Very low103 Ų103156.4 Ų156.467%0.66979%0.792SS**  -153.4164107.837.2-19.7000116.5
101R32.9Very low31.4Very low249 Ų249150.8 Ų150.894%0.9479%0.787SS**  trans34.2142.3139.2-58.7169.6173.9179.9-3.1120.6
102G26.4Very low31.6Very low72 Ų72151.4 Ų151.474%0.74279%0.793SS**  cis130.4155.2-5.700000115.8
103R32.9Very low31.4Very low247 Ų247155 Ų15593%0.93280%0.798SS**  trans74.3106.5151.4-164.1-171.7-157.2-133.67121.6
104K29.8Very low31.2Very low193 Ų193151.6 Ų151.684%0.83979%0.791SS**  trans177.2137.7135.5-95.3163.4-177.3-174.80108.2
105K25.5Very low31Very low202 Ų202154.4 Ų154.488%0.87880%0.8SS**  50.8131.580.5-72.1-157.6172.8-1610112.8
106S26.9Very low30.9Very low88 Ų88147.9 Ų147.962%0.61579%0.793SS**  cis-157-172.923.548.60000113.3
107E29.4Very low30.8Very low169 Ų169145.8 Ų145.879%0.7979%0.79SS**  trans46.2119.6153.5-70.7139.2149.300119.6
108E25.8Very low30.2Very low179 Ų179143 Ų14384%0.83679%0.785SS**  105.5147.962.9-176.7153.282.100111.5
109S24.1Very low30.4Very low102 Ų102148.7 Ų148.771%0.71379%0.789SS**  trans83.4142171.3-66.30000121.9
110D28.4Very low29.9Very low151 Ų151147.8 Ų147.881%0.80779%0.788SS**  trans55.399.1157.6-69.5-76.6000122.5
111S29.8Very low30.8Very low105 Ų105148.4 Ų148.473%0.73479%0.792SS**  -65.5165.6124.8-67.20000110.2
112P39.4Very low31.6Very low121 Ų121141.3 Ų141.379%0.78678%0.778SS**  cis-137.1-175.315.643.2-26.9000114.8
113K27.4Very low31.8Very low206 Ų206148.5 Ų148.590%0.89678%0.783SS**  trans-145.9114.7140.7-146.5160-170.71680112.9
114G25.3Very low31.8Very low49 Ų49147.3 Ų147.351%0.50578%0.779SS.*  trans-69.3178.7169.100000112.7
115Q29.2Very low32Very low201 Ų201144.1 Ų144.194%0.93978%0.776SS**  54.1135.287.3-59.6179.5-35.700112.7
116S28Very low32.2Very low116 Ų116138 Ų13881%0.81177%0.769SS**  cis-156.4-171.63.454.80000107.4
117D32.3Very low32.5Very low134 Ų134140.3 Ų140.372%0.71779%0.785SS**  cis-149.3164.99.3178.346.4000111.2R119D117-R119 PolarHBondContact O-N 2.81Å
118G27.6Very low32.6Very low71 Ų71135.4 Ų135.473%0.73278%0.78SS**  trans-88.661.1174.900000115.7
119R32.2Very low33.2Very low231 Ų231138.4 Ų138.487%0.87278%0.784SS**  trans-154.8144.5159.6-109.2159.3-169.5-95.40.6112.5D117D117-R119 PolarHBondContact O-N 2.81Å
120S31.8Very low34Very low114 Ų114140.9 Ų140.980%0.79779%0.794SS**  trans-110.6-176.5-166.1-200000112.2
121P61Low34.3Very low117 Ų117137 Ų13776%0.7679%0.79SS**  cis-125.2-148-37.134-11.6000108.4
122P50.5Low34.7Very low99 Ų99144.2 Ų144.264%0.64380%0.801SS**  cis-145.2-175.2-4.345.5-26.1000118.8
123R31.2Very low34.4Very low223 Ų223142 Ų14284%0.84280%0.801SS**  trans96.5124.2148.8-72.2168.4-169.7-82.1-2.5122.2
124R32Very low34.8Very low223 Ų223137.7 Ų137.784%0.84280%0.804SS**  trans82.4117.9137.9-97.6-169.9169.9-158.6-3.4122.4
125T34Very low35.1Very low126 Ų126139.3 Ų139.377%0.77382%0.82SS**  37.1133.5128.857.50000120.9
126G30.1Very low35.5Very low72 Ų72138.4 Ų138.474%0.74281%0.808SS**  cis140.8168.9-3.200000114
127S34.2Very low36.3Very low137 Ų137138.9 Ų138.996%0.95881%0.809SS**  trans73.7146162.1-157.80000121.2
128G30.7Very low36.6Very low66 Ų66138.8 Ų138.868%0.6880%0.804SS**  trans105118.7171.400000113.6
129R38.8Very low37.2Very low242 Ų242143.3 Ų143.391%0.91381%0.81SS**  cis90.5146.537.8-77.8-161.7176.4-124.94115.2
130V39.3Very low38.2Very low154 Ų154137.8 Ų137.893%0.93380%0.804SS**  trans72.3147.8175.9-41.90000117.1
131G35.3Very low38.6Very low70 Ų70140 Ų14072%0.72281%0.807SS**  cis165.9147.4-14.200000115.5
132R39.6Very low37.6Very low256 Ų256143.2 Ų143.297%0.96681%0.812SS**  trans24.7117.6159.7-56.2176.9-177.5-110.94.8118.2
133G32.1Very low37.1Very low76 Ų76141.6 Ų141.678%0.78481%0.813SS**  108.1175.163.500000113.2
134A35.4Very low37.3Very low115 Ų115137.8 Ų137.895%0.9582%0.815SS**  trans79.7148.4170.500000120.5
135G32.3Very low38.1Very low82 Ų82133 Ų13385%0.84581%0.813SS**  trans123.191.8157.200000118.4
136R37.4Very low38.8Very low183 Ų183130.9 Ų130.969%0.69182%0.816SS**  trans-122.1135.4154.4175.5-172.9-172.9-1156.9108.3E138R136-E138 IonicContact CZ-OE1 2.73Å; R136-E138 IonicContact CZ-OE2 2.97Å; R136-E138 IonicContact NH1-OE1 3.51Å; R136-E138 IonicContact NH1-OE2 2.72Å; R136-E138 PolarHBondContact NH1-OE2 3.29Å; R136-E138 IonicContact NH2-OE1 2.7Å; R136-E138 PolarHBondContact NH2-OE1 2.89Å; R136-E138 IonicContact NH2-OE2 3.43Å; R136-E138 PolarHBondContact NH2-OE2 3.12Å
137P43.8Very low39.5Very low126 Ų126131 Ų13182%0.81882%0.817SS**  trans-117.2172.3144.336.1-28.3000111.5
138E39.7Very low40.2Very low132 Ų132132.2 Ų132.262%0.61781%0.812SS**  trans-141.5137.9-171.7166.6167.8-123.700109R136R136-E138 IonicContact CZ-OE1 2.73Å; R136-E138 IonicContact CZ-OE2 2.97Å; R136-E138 IonicContact NH1-OE1 3.51Å; R136-E138 IonicContact NH1-OE2 2.72Å; R136-E138 PolarHBondContact NH1-OE2 3.29Å; R136-E138 IonicContact NH2-OE1 2.7Å; R136-E138 PolarHBondContact NH2-OE1 2.89Å; R136-E138 IonicContact NH2-OE2 3.43Å; R136-E138 PolarHBondContact NH2-OE2 3.12Å
139L39.9Very low41.5Very low166 Ų166132.8 Ų132.887%0.86980%0.799SS**  trans-155.8156.2150-90.3-174.1000108.7
140P54.1Low42.8Very low114 Ų114131.3 Ų131.374%0.7479%0.794SS**  trans-95.2168.6-173.938.7-35.2000113
141D38.8Very low44.2Very low162 Ų162131.9 Ų131.987%0.86678%0.784SS**  trans-147.5167.1157.2-162.219.2000111.6
142E39.6Very low45.7Very low184 Ų184131.9 Ų131.986%0.8677%0.772SS**  trans-74168.2-157.9-140.9162.2106.700116.4
143G39.8Very low47.3Very low64 Ų64125 Ų12566%0.6675%0.75SS**  trans-93.4161.5-177.700000114.5
144T36.9Very low49.5Very low144 Ų144126.7 Ų126.788%0.88374%0.737SS**  trans-128.1114170-57.30000110.4
145P48.3Very low51.3Low123 Ų123130.6 Ų130.680%0.79973%0.727SS**  trans-94.8146.2-177.335.2-33.3000113.6
146G49.3Very low53.4Low81 Ų81132.2 Ų132.284%0.83571%0.713SS**  trans88.8132.216200000116.2
147G43.7Very low55.4Low74 Ų74129.2 Ų129.276%0.76371%0.706SS**SBendtrans153.5-54.7168.800000114.4
148L49.9Very low57.3Low162 Ų162130.7 Ų130.785%0.84870%0.7SS**SBendtrans-106.61.1-168.6-60.4175.6000114.6S152L148-S152 PolarHBondContact O-OG 3.46Å
149D56.9Low59.2Low79 Ų79131.9 Ų131.942%0.42270%0.699SS.*Hα-helixtrans-93.2-20-161.8-176.750.7000115.1S152 K153D149-S152 PolarHBondContact O-N 3.2Å; D149-K153 WeakPolarHBondContact O-CB 3.09Å; D149-K153 WeakPolarHBondContact O-CG 3.44Å; D149-K153 PolarHBondContact O-N 2.89Å; D149-K153 WeakPolarHBondContact OD2-CD 3.38Å; D149-K153 WeakPolarHBondContact OD2-CE 3.35Å; D149-K153 IonicContact OD2-NZ 2.65Å; D149-K153 PolarHBondContact OD2-NZ 3.08Å
150R66.8Low61.2Low211 Ų211132.4 Ų132.480%0.79669%0.689SS**Hα-helixtrans-63.1-57.6-179.3-82.9-173.5169.5114.7-2.2112.6S152 K153 E154R150-S152 PolarHBondContact O-N 3.26Å; R150-K153 PolarHBondContact O-N 3.03Å; R150-K153 VanDerWaalsContact O-N 3.14Å; R150-E154 WeakPolarHBondContact O-CG 3.31Å; R150-E154 PolarHBondContact O-N 3.24Å
151K68.6Low62.7Low166 Ų166132.6 Ų132.672%0.72268%0.68SS**Hα-helixtrans-63.6-30.2178-64.1-175.6178.7-176.80112.7W155K151-W155 PolarHBondContact O-N 3.42Å
152S66.7Low65.1Low69 Ų69130.3 Ų130.348%0.48367%0.668SS.*Hα-helixtrans-68.6-43.2173.9-60.70000111.9L148 D149 R150 W155 E156L148-S152 PolarHBondContact O-OG 3.46Å; D149-S152 PolarHBondContact O-N 3.2Å; R150-S152 PolarHBondContact O-N 3.26Å; S152-W155 PolarHBondContact O-N 3.46Å; S152-E156 WeakPolarHBondContact O-CB 3.42Å; S152-E156 PolarHBondContact O-N 2.87Å
153K73.4Confident67Low113 Ų113125.1 Ų125.149%0.49165%0.646SS.*Hα-helixtrans-64-44.7171.5-81.6172171.5161.40112.3D149 R150 W155 E156 E157D149-K153 WeakPolarHBondContact O-CB 3.09Å; D149-K153 WeakPolarHBondContact O-CG 3.44Å; D149-K153 PolarHBondContact O-N 2.89Å; D149-K153 WeakPolarHBondContact OD2-CD 3.38Å; D149-K153 WeakPolarHBondContact OD2-CE 3.35Å; D149-K153 IonicContact OD2-NZ 2.65Å; D149-K153 PolarHBondContact OD2-NZ 3.08Å; R150-K153 PolarHBondContact O-N 3.03Å; R150-K153 VanDerWaalsContact O-N 3.14Å; K153-W155 PolarHBondContact O-N 3.06Å; K153-E156 PolarHBondContact O-N 2.89Å; K153-E156 VanDerWaalsContact O-N 3.16Å; K153-E157 WeakPolarHBondContact O-CB 3.43Å; K153-E157 PolarHBondContact O-N 3.45Å
154E79Confident69.1Low110 Ų110128 Ų12851%0.51464%0.642SS.*Hα-helixtrans-55.3-39.1173.7-69.3154.6-145.700111.4R150 K158R150-E154 WeakPolarHBondContact O-CG 3.31Å; R150-E154 PolarHBondContact O-N 3.24Å; E154-K158 WeakPolarHBondContact O-CB 3.35Å; E154-K158 PolarHBondContact O-N 3.29Å
155W73Confident71.5Confident198 Ų198127.8 Ų127.875%0.7563%0.629SS**Hα-helixtrans-73.9-40.1176.1-127.486000113.3K151 S152 K153 R159K151-W155 PolarHBondContact O-N 3.42Å; S152-W155 PolarHBondContact O-N 3.46Å; K153-W155 PolarHBondContact O-N 3.06Å; W155-R159 VanDerWaalsContact O-CB 3.27Å; W155-R159 WeakPolarHBondContact O-CB 3.33Å; W155-R159 PolarHBondContact O-N 3.16Å
156E75.3Confident73.1Confident115 Ų115126.6 Ų126.654%0.53761%0.613SS.*Hα-helixtrans-71.3-34.8178-173.3166.3-126.800112.2S152 K153 R159 R160S152-E156 WeakPolarHBondContact O-CB 3.42Å; S152-E156 PolarHBondContact O-N 2.87Å; K153-E156 PolarHBondContact O-N 2.89Å; K153-E156 VanDerWaalsContact O-N 3.16Å; E156-R159 WeakPolarHBondContact O-CB 3.21Å; E156-R159 PolarHBondContact O-N 3.3Å; E156-R160 WeakPolarHBondContact O-CG 3.49Å; E156-R160 PolarHBondContact O-N 2.65Å
157E79.9Confident74.7Confident120 Ų120126.4 Ų126.456%0.56159%0.593SS**Hα-helixtrans-71.9-41.8173.4-174.4163.6-129.500111.2K153 R159 R160 Q161K153-E157 WeakPolarHBondContact O-CB 3.43Å; K153-E157 PolarHBondContact O-N 3.45Å; E157-R159 VanDerWaalsContact C-N 3.29Å; E157-R159 PolarHBondContact O-N 2.73Å; E157-R160 CarbonylContact O-C 3.57Å; E157-R160 WeakPolarHBondContact O-CA 3.4Å; E157-R160 WeakPolarHBondContact O-CB 3.34Å; E157-R160 PolarHBondContact O-N 2.68Å; E157-R160 VanDerWaalsContact O-N 3.14Å; E157-Q161 PolarHBondContact O-N 3.25Å
158K83.7Confident76.6Confident158 Ų158127.2 Ų127.269%0.68758%0.577SS**Hα-helixtrans-66.1-32171.8-166.8165.6-170.8167.80112.4E154 N162E154-K158 WeakPolarHBondContact O-CB 3.35Å; E154-K158 PolarHBondContact O-N 3.29Å; K158-N162 VanDerWaalsContact O-CB 3.31Å; K158-N162 WeakPolarHBondContact O-CB 3.31Å; K158-N162 PolarHBondContact O-N 3.42Å
159R79.6Confident77.9Confident157 Ų157125 Ų12559%0.59256%0.562SS**Hα-helixtrans-68.3-40.8169.1-176-176.8-179-150.31.5111.6W155 E156 E157 N162 I163W155-R159 VanDerWaalsContact O-CB 3.27Å; W155-R159 WeakPolarHBondContact O-CB 3.33Å; W155-R159 PolarHBondContact O-N 3.16Å; E156-R159 WeakPolarHBondContact O-CB 3.21Å; E156-R159 PolarHBondContact O-N 3.3Å; E157-R159 VanDerWaalsContact C-N 3.29Å; E157-R159 PolarHBondContact O-N 2.73Å; R159-N162 PolarHBondContact O-N 3.14Å; R159-I163 HydrophobicContact CG-CD1 4.14Å; R159-I163 WeakPolarHBondContact O-CG1 3.27Å; R159-I163 PolarHBondContact O-N 2.87Å
160R82.5Confident78.9Confident177 Ų177126.7 Ų126.767%0.66857%0.569SS**Hα-helixtrans-61.2-52.9172.3-80.3178.6173.7-138.1-1.8111.2E156 E157 N162 I163 E164E156-R160 WeakPolarHBondContact O-CG 3.49Å; E156-R160 PolarHBondContact O-N 2.65Å; E157-R160 CarbonylContact O-C 3.57Å; E157-R160 WeakPolarHBondContact O-CA 3.4Å; E157-R160 WeakPolarHBondContact O-CB 3.34Å; E157-R160 PolarHBondContact O-N 2.68Å; E157-R160 VanDerWaalsContact O-N 3.14Å; R160-N162 PolarHBondContact O-N 3.07Å; R160-I163 CarbonylContact O-C 3.36Å; R160-I163 PolarHBondContact O-N 2.83Å; R160-E164 WeakPolarHBondContact O-CB 3.46Å; R160-E164 PolarHBondContact O-N 3.4Å
161Q85.4Confident79.3Confident117 Ų117123 Ų12355%0.54756%0.561SS.*Hα-helixtrans-60.8-30.5177.7-73.8-172.7-500113E157 K165E157-Q161 PolarHBondContact O-N 3.25Å; Q161-K165 WeakPolarHBondContact O-CB 3.5Å; Q161-K165 PolarHBondContact O-N 2.89Å
162N89.1Confident79.7Confident115 Ų115122.4 Ų122.462%0.61555%0.554SS**Hα-helixtrans-68.5-43.6172.6-176.8-109000112.3K158 R159 R160 M166K158-N162 VanDerWaalsContact O-CB 3.31Å; K158-N162 WeakPolarHBondContact O-CB 3.31Å; K158-N162 PolarHBondContact O-N 3.42Å; R159-N162 PolarHBondContact O-N 3.14Å; R160-N162 PolarHBondContact O-N 3.07Å; N162-M166 WeakPolarHBondContact O-CB 3.45Å; N162-M166 PolarHBondContact O-N 3.4Å
163I78.7Confident79.8Confident75 Ų75123.6 Ų123.639%0.38555%0.554SS.*Hα-helixtrans-68.3-40.4174.9-67.1164.7000111.2R159 R160 M166 N167R159-I163 HydrophobicContact CG-CD1 4.14Å; R159-I163 WeakPolarHBondContact O-CG1 3.27Å; R159-I163 PolarHBondContact O-N 2.87Å; R160-I163 CarbonylContact O-C 3.36Å; R160-I163 PolarHBondContact O-N 2.83Å; I163-M166 PolarHBondContact O-N 3.14Å; I163-N167 WeakPolarHBondContact O-CB 3.4Å; I163-N167 PolarHBondContact O-N 3.46Å; I163-N167 PolarHBondContact O-OD1 3.43Å
164E83.8Confident79.5Confident123 Ų123120.9 Ų120.958%0.57555%0.553SS**Hα-helixtrans-66.4-46.6179.2-174.8167.8-132.800110.7R160 M166 N167 E168R160-E164 WeakPolarHBondContact O-CB 3.46Å; R160-E164 PolarHBondContact O-N 3.4Å; E164-M166 VanDerWaalsContact C-N 3.34Å; E164-M166 PolarHBondContact O-N 2.73Å; E164-N167 CarbonylContact O-C 3.54Å; E164-N167 PolarHBondContact O-N 2.81Å; E164-E168 VanDerWaalsContact O-CB 3.31Å; E164-E168 WeakPolarHBondContact O-CB 3.32Å; E164-E168 PolarHBondContact O-N 3.19Å
165K87.4Confident79.2Confident141 Ų141121.9 Ų121.961%0.61356%0.558SS**Hα-helixtrans-61.2-40.4172.2-178.7174.9178.6176.80112.5Q161 E168 E169Q161-K165 WeakPolarHBondContact O-CB 3.5Å; Q161-K165 PolarHBondContact O-N 2.89Å; K165-E168 PolarHBondContact O-N 3.03Å; K165-E169 WeakPolarHBondContact O-CB 3.16Å; K165-E169 PolarHBondContact O-N 3.45Å
166M83.2Confident78.8Confident97 Ų97121 Ų12148%0.47856%0.555SS.*Hα-helixtrans-65.3-40.7174.9-176.4-155.173.100111.3N162 I163 E164 E169 M170N162-M166 WeakPolarHBondContact O-CB 3.45Å; N162-M166 PolarHBondContact O-N 3.4Å; I163-M166 PolarHBondContact O-N 3.14Å; E164-M166 VanDerWaalsContact C-N 3.34Å; E164-M166 PolarHBondContact O-N 2.73Å; M166-E169 PolarHBondContact O-N 3.37Å; M166-M170 WeakPolarHBondContact O-CB 3.47Å; M166-M170 VanDerWaalsContact O-CG 3.27Å; M166-M170 WeakPolarHBondContact O-CG 3.5Å; M166-M170 PolarHBondContact O-N 3.37Å
167N81Confident78.1Confident77 Ų77120 Ų12041%0.41255%0.551SS.*Hα-helixtrans-67.4-41.6175.8-71.6-9.3000111.3I163 E164 E169 M170 E171I163-N167 WeakPolarHBondContact O-CB 3.4Å; I163-N167 PolarHBondContact O-N 3.46Å; I163-N167 PolarHBondContact O-OD1 3.43Å; E164-N167 CarbonylContact O-C 3.54Å; E164-N167 PolarHBondContact O-N 2.81Å; N167-E169 VanDerWaalsContact C-N 3.33Å; N167-E169 PolarHBondContact O-N 2.71Å; N167-M170 CarbonylContact O-C 3.55Å; N167-M170 PolarHBondContact O-N 2.77Å; N167-E171 WeakPolarHBondContact O-CB 3.42Å; N167-E171 WeakPolarHBondContact O-CG 3.35Å; N167-E171 PolarHBondContact O-N 3.06Å
168E83.6Confident77.4Confident91 Ų91123 Ų12343%0.42556%0.557SS.*Hα-helixtrans-63.7-37.3175.4-166.8-154.5145.400111.3E164 K165 R172E164-E168 VanDerWaalsContact O-CB 3.31Å; E164-E168 WeakPolarHBondContact O-CB 3.32Å; E164-E168 PolarHBondContact O-N 3.19Å; K165-E168 PolarHBondContact O-N 3.03Å; E168-R172 WeakPolarHBondContact O-CB 3.49Å; E168-R172 PolarHBondContact O-N 3.06Å; E168-R172 IonicContact OE1-CZ 2.67Å; E168-R172 IonicContact OE1-NH1 3.67Å; E168-R172 PolarHBondContact OE1-NH1 2.98Å; E168-R172 IonicContact OE1-NH2 2.7Å; E168-R172 PolarHBondContact OE1-NH2 2.94Å
169E79.1Confident76Confident115 Ų115118 Ų11854%0.53755%0.551SS.*Hα-helixtrans-65.5-44.8171.8-173.3170.7-179.900111.3K165 M166 N167 R172 I173K165-E169 WeakPolarHBondContact O-CB 3.16Å; K165-E169 PolarHBondContact O-N 3.45Å; M166-E169 PolarHBondContact O-N 3.37Å; N167-E169 VanDerWaalsContact C-N 3.33Å; N167-E169 PolarHBondContact O-N 2.71Å; E169-R172 PolarHBondContact O-N 2.99Å; E169-I173 HydrophobicContact CG-CD1 4.33Å; E169-I173 WeakPolarHBondContact O-CD1 3.34Å; E169-I173 VanDerWaalsContact O-CG1 3.25Å; E169-I173 WeakPolarHBondContact O-CG1 3.47Å; E169-I173 PolarHBondContact O-N 3.09Å
170M77.6Confident74.6Confident116 Ų116115.9 Ų115.957%0.57155%0.547SS*.Hα-helixtrans-65.8-37.9175.3-72.6-63.2-57.400113.2M166 N167 I173 A174M166-M170 WeakPolarHBondContact O-CB 3.47Å; M166-M170 VanDerWaalsContact O-CG 3.27Å; M166-M170 WeakPolarHBondContact O-CG 3.5Å; M166-M170 PolarHBondContact O-N 3.37Å; N167-M170 CarbonylContact O-C 3.55Å; N167-M170 PolarHBondContact O-N 2.77Å; M170-I173 PolarHBondContact O-N 2.83Å; M170-A174 WeakPolarHBondContact O-CB 3.49Å; M170-A174 PolarHBondContact O-N 3.19Å
171E74.1Confident72.7Confident132 Ų132113.1 Ų113.162%0.61754%0.537SS*.Hα-helixtrans-71.5-40.7175.7-75.2-17415500110.9N167 I173 A174 E175N167-E171 WeakPolarHBondContact O-CB 3.42Å; N167-E171 WeakPolarHBondContact O-CG 3.35Å; N167-E171 PolarHBondContact O-N 3.06Å; E171-I173 VanDerWaalsContact C-N 3.29Å; E171-I173 PolarHBondContact O-N 3.1Å; E171-A174 CarbonylContact O-C 3.56Å; E171-A174 PolarHBondContact O-N 2.76Å; E171-A174 VanDerWaalsContact O-N 3.08Å; E171-E175 WeakPolarHBondContact O-CB 3.1Å; E171-E175 WeakPolarHBondContact O-CG 3.35Å; E171-E175 PolarHBondContact O-N 2.79Å
172R78.3Confident70.9Confident154 Ų154113.8 Ų113.858%0.58155%0.549SS*.Hα-helixtrans-61-36.3172.8-176.9171.1-73.8116.7-1.2112.3E168 E169 Y176E168-R172 WeakPolarHBondContact O-CB 3.49Å; E168-R172 PolarHBondContact O-N 3.06Å; E168-R172 IonicContact OE1-CZ 2.67Å; E168-R172 IonicContact OE1-NH1 3.67Å; E168-R172 PolarHBondContact OE1-NH1 2.98Å; E168-R172 IonicContact OE1-NH2 2.7Å; E168-R172 PolarHBondContact OE1-NH2 2.94Å; E169-R172 PolarHBondContact O-N 2.99Å; R172-Y176 WeakPolarHBondContact O-CB 3.36Å; R172-Y176 PolarHBondContact O-N 2.8Å
173I68.8Low68.8Low95 Ų95113.4 Ų113.449%0.48756%0.555SS.*Hα-helixtrans-67.9-45.7170.5-69.1163000110.9E169 M170 E171 Y176 E177E169-I173 HydrophobicContact CG-CD1 4.33Å; E169-I173 WeakPolarHBondContact O-CD1 3.34Å; E169-I173 VanDerWaalsContact O-CG1 3.25Å; E169-I173 WeakPolarHBondContact O-CG1 3.47Å; E169-I173 PolarHBondContact O-N 3.09Å; M170-I173 PolarHBondContact O-N 2.83Å; E171-I173 VanDerWaalsContact C-N 3.29Å; E171-I173 PolarHBondContact O-N 3.1Å; I173-Y176 PolarHBondContact O-N 3.41Å; I173-E177 PolarHBondContact O-N 2.88Å
174A65.9Low67.6Low55 Ų55112.5 Ų112.546%0.45555%0.553SS.*Hα-helixtrans-65.8-38.3-178.600000112.9M170 E171 E177 R178M170-A174 WeakPolarHBondContact O-CB 3.49Å; M170-A174 PolarHBondContact O-N 3.19Å; E171-A174 CarbonylContact O-C 3.56Å; E171-A174 PolarHBondContact O-N 2.76Å; E171-A174 VanDerWaalsContact O-N 3.08Å; A174-E177 PolarHBondContact O-N 3.46Å; A174-R178 VanDerWaalsContact O-CB 3.29Å; A174-R178 WeakPolarHBondContact O-CB 3.46Å; A174-R178 PolarHBondContact O-N 3.47Å
175E72.8Confident65.9Low132 Ų132111.8 Ų111.862%0.61755%0.553SS**Hα-helixtrans-69.6-37.2175-69.9-161.2129.100112.1E171 R178 G179E171-E175 WeakPolarHBondContact O-CB 3.1Å; E171-E175 WeakPolarHBondContact O-CG 3.35Å; E171-E175 PolarHBondContact O-N 2.79Å; E175-R178 WeakPolarHBondContact O-CB 3.41Å; E175-R178 PolarHBondContact O-N 2.98Å; E175-G179 PolarHBondContact O-N 3.2Å
176Y65.4Low64.1Low179 Ų179108.2 Ų108.270%0.70256%0.556SS**Hα-helixtrans-61-43.3172.1-172.6-96.7000111.9R172 I173 G179 Q180R172-Y176 WeakPolarHBondContact O-CB 3.36Å; R172-Y176 PolarHBondContact O-N 2.8Å; I173-Y176 PolarHBondContact O-N 3.41Å; Y176-G179 PolarHBondContact O-N 2.91Å; Y176-Q180 PolarHBondContact O-N 3.46Å
177E60.1Low62.5Low95 Ų95111.2 Ų111.244%0.44457%0.574SS.*Hα-helixtrans-67.4-38.8173.7-163.1-174.6155.900112I173 A174 G179 Q180 R181I173-E177 PolarHBondContact O-N 2.88Å; A174-E177 PolarHBondContact O-N 3.46Å; E177-G179 VanDerWaalsContact C-N 3.32Å; E177-G179 PolarHBondContact O-N 2.86Å; E177-Q180 WeakPolarHBondContact O-CB 3.5Å; E177-Q180 PolarHBondContact O-N 2.87Å; E177-Q180 VanDerWaalsContact O-N 3.16Å; E177-R181 HydrophobicContact CG-CG 4.49Å; E177-R181 WeakPolarHBondContact O-CG 3.45Å; E177-R181 PolarHBondContact O-N 3.36Å; E177-R181 VanDerWaalsContact O-N 3.07Å; E177-R181 IonicContact OE1-CZ 3.12Å; E177-R181 IonicContact OE1-NE 3.67Å; E177-R181 PolarHBondContact OE1-NE 2.61Å; E177-R181 IonicContact OE1-NH2 3.58Å; E177-R181 PolarHBondContact OE1-NH2 2.96Å
178R65.6Low61.1Low182 Ų182115.1 Ų115.169%0.68759%0.588SS**Hα-helixtrans-61.8-39177.5-158.9-179.8-152.5164.66.7112.1A174 E175A174-R178 VanDerWaalsContact O-CB 3.29Å; A174-R178 WeakPolarHBondContact O-CB 3.46Å; A174-R178 PolarHBondContact O-N 3.47Å; E175-R178 WeakPolarHBondContact O-CB 3.41Å; E175-R178 PolarHBondContact O-N 2.98Å
179G54.8Low60.1Low54 Ų54116.4 Ų116.456%0.55760%0.604SS**Hα-helixtrans-66.2-35173.900000113.7E175 Y176 E177E175-G179 PolarHBondContact O-N 3.2Å; Y176-G179 PolarHBondContact O-N 2.91Å; E177-G179 VanDerWaalsContact C-N 3.32Å; E177-G179 PolarHBondContact O-N 2.86Å
180Q48.6Very low59.2Low112 Ų112118.5 Ų118.552%0.52362%0.617SS.*Hα-helixtrans-68-42.7174.7-77.2-78.6-41.800112.8Y176 E177 V182 S183Y176-Q180 PolarHBondContact O-N 3.46Å; E177-Q180 WeakPolarHBondContact O-CB 3.5Å; E177-Q180 PolarHBondContact O-N 2.87Å; E177-Q180 VanDerWaalsContact O-N 3.16Å; Q180-V182 PolarHBondContact O-N 3.49Å; Q180-S183 PolarHBondContact O-N 3.37Å
181R44.3Very low58.5Low118 Ų118118.9 Ų118.945%0.44561%0.612SS.*Hα-helixtrans-67.5-38.8-167.8-76.7-174.9172.2-72-4.5115.4E177 S183 V184 D185E177-R181 HydrophobicContact CG-CG 4.49Å; E177-R181 WeakPolarHBondContact O-CG 3.45Å; E177-R181 PolarHBondContact O-N 3.36Å; E177-R181 VanDerWaalsContact O-N 3.07Å; E177-R181 IonicContact OE1-CZ 3.12Å; E177-R181 IonicContact OE1-NE 3.67Å; E177-R181 PolarHBondContact OE1-NE 2.61Å; E177-R181 IonicContact OE1-NH2 3.58Å; E177-R181 PolarHBondContact OE1-NH2 2.96Å; R181-S183 PolarHBondContact O-N 2.95Å; R181-S183 VanDerWaalsContact O-N 3.07Å; R181-V184 PolarHBondContact O-N 3.38Å; R181-V184 VanDerWaalsContact O-N 3.08Å; R181-D185 WeakPolarHBondContact CB-OD2 3.12Å; R181-D185 VanDerWaalsContact CG-OD2 3.31Å; R181-D185 WeakPolarHBondContact CG-OD2 3.33Å; R181-D185 IonicContact CZ-OD2 2.7Å; R181-D185 IonicContact NH1-OD1 3.18Å; R181-D185 IonicContact NH1-OD2 2.65Å; R181-D185 PolarHBondContact NH1-OD2 2.75Å; R181-D185 PolarHBondContact O-N 3.4Å; R181-D185 VanDerWaalsContact O-N 3.13Å
182V47.1Very low58.3Low132 Ų132117 Ų11780%0.861%0.606SS**THydrogen-bonded Turntrans-58.4-26.2-177.8178.50000112.5Q180Q180-V182 PolarHBondContact O-N 3.49Å
183S45.4Very low57.2Low106 Ų106118 Ų11874%0.74162%0.615SS**THydrogen-bonded Turntrans-95.7-3-177.9-59.20000114.7Q180 R181Q180-S183 PolarHBondContact O-N 3.37Å; R181-S183 PolarHBondContact O-N 2.95Å; R181-S183 VanDerWaalsContact O-N 3.07Å
184V52.9Low56.8Low56 Ų56119.9 Ų119.934%0.33963%0.625SS.*THydrogen-bonded Turntrans-135.4-28-166.7-176.60000115.2R181 G186 K188R181-V184 PolarHBondContact O-N 3.38Å; R181-V184 VanDerWaalsContact O-N 3.08Å; V184-G186 PolarHBondContact O-N 3.13Å; V184-K188 HydrophobicContact CG1-CD 4.29Å
185D48.2Very low56.6Low109 Ų109122.2 Ų122.258%0.58363%0.63SS**SBendtrans-80.241.9-173.7-71.7-22.9000113.8R181R181-D185 WeakPolarHBondContact CB-OD2 3.12Å; R181-D185 VanDerWaalsContact CG-OD2 3.31Å; R181-D185 WeakPolarHBondContact CG-OD2 3.33Å; R181-D185 IonicContact CZ-OD2 2.7Å; R181-D185 IonicContact NH1-OD1 3.18Å; R181-D185 IonicContact NH1-OD2 2.65Å; R181-D185 PolarHBondContact NH1-OD2 2.75Å; R181-D185 PolarHBondContact O-N 3.4Å; R181-D185 VanDerWaalsContact O-N 3.13Å
186G49.4Very low56.5Low66 Ų66116.9 Ų116.968%0.6861%0.606SS**SBendtrans-104.4-72.2179.900000114.6V184V184-G186 PolarHBondContact O-N 3.13Å
187D49.1Very low56.5Low159 Ų159113.2 Ų113.285%0.8560%0.604SS**SBendtrans-12671.4-167.9-88.7-57.9000113.1
188K52.2Low56.7Low160 Ų160118.2 Ų118.270%0.69662%0.619SS**  trans-137.884.7174.2-67.2-176.2-175.7175.70111.9V184 I190V184-K188 HydrophobicContact CG1-CD 4.29Å; K188-I190 PolarHBondContact O-N 3.37Å
189P63.4Low56.6Low118 Ų118118 Ų11877%0.76662%0.618SS**  trans-57.9139.416726.2-34.3000109.5R191P189-R191 PolarHBondContact O-N 3.02Å
190I60Low56.9Low159 Ų159119.1 Ų119.182%0.81562%0.617SS**  trans-64.194.2-173.8-57.9173.8000109.3K188 N192K188-I190 PolarHBondContact O-N 3.37Å; I190-N192 PolarHBondContact O-N 3.25Å; I190-N192 VanDerWaalsContact O-N 3.09Å
191R61.6Low57.2Low123 Ų123116 Ų11646%0.46462%0.615SS.*  trans-78.698-174.5-164.4179.888.7121.22.6109.9P189 F193 D196P189-R191 PolarHBondContact O-N 3.02Å; R191-F193 PolarHBondContact O-N 3.44Å; R191-D196 IonicContact CZ-OD1 2.76Å; R191-D196 IonicContact CZ-OD2 2.71Å; R191-D196 IonicContact NH1-OD1 2.78Å; R191-D196 PolarHBondContact NH1-OD1 2.74Å; R191-D196 IonicContact NH1-OD2 3.82Å; R191-D196 PolarHBondContact NH1-OD2 2.85Å; R191-D196 IonicContact NH2-OD1 3.79Å; R191-D196 IonicContact NH2-OD2 2.77Å; R191-D196 PolarHBondContact NH2-OD2 3.01Å
192N69.5Low58.2Low93 Ų93116.6 Ų116.650%0.49764%0.635SS.*  trans-48.6131172.9-58.8-43.5000110.2I190 L194 D195I190-N192 PolarHBondContact O-N 3.25Å; I190-N192 VanDerWaalsContact O-N 3.09Å; N192-L194 PolarHBondContact O-N 3.05Å; N192-D195 HydrophobicContact CB-CB 4.27Å; N192-D195 VanDerWaalsContact CB-OD2 3.31Å; N192-D195 WeakPolarHBondContact CB-OD2 3.42Å; N192-D195 PolarHBondContact ND2-OD2 2.78Å; N192-D195 PolarHBondContact O-N 3.21Å
193F56.8Low58.5Low176 Ų176114.6 Ų114.677%0.77263%0.632SS**THydrogen-bonded Turntrans-66.2-3.9179.7-83-101.7000114.1R191 R199R191-F193 PolarHBondContact O-N 3.44Å; F193-R199 WeakPolarHBondContact O-CD 3.41Å
194L59.8Low58.9Low133 Ų133115.4 Ų115.470%0.69664%0.635SS**THydrogen-bonded Turntrans-92.7-26.3170.3-74.582.6000112.8N192 D196N192-L194 PolarHBondContact O-N 3.05Å; L194-D196 PolarHBondContact O-N 2.88Å
195D61.5Low58.5Low104 Ų104119.6 Ų119.656%0.55666%0.655SS**  trans-87.527.4-178.9-65.3-42.7000112.6N192 P197N192-D195 HydrophobicContact CB-CB 4.27Å; N192-D195 VanDerWaalsContact CB-OD2 3.31Å; N192-D195 WeakPolarHBondContact CB-OD2 3.42Å; N192-D195 PolarHBondContact ND2-OD2 2.78Å; N192-D195 PolarHBondContact O-N 3.21Å; D195-P197 WeakPolarHBondContact O-CD 3.25Å
196D71.7Confident58.6Low21 Ų21122 Ų12211%0.11267%0.666CS.*  trans-87.6114.6171.1-168.5-0.7000110.2R191 L194 R198 R199 S200R191-D196 IonicContact CZ-OD1 2.76Å; R191-D196 IonicContact CZ-OD2 2.71Å; R191-D196 IonicContact NH1-OD1 2.78Å; R191-D196 PolarHBondContact NH1-OD1 2.74Å; R191-D196 IonicContact NH1-OD2 3.82Å; R191-D196 PolarHBondContact NH1-OD2 2.85Å; R191-D196 IonicContact NH2-OD1 3.79Å; R191-D196 IonicContact NH2-OD2 2.77Å; R191-D196 PolarHBondContact NH2-OD2 3.01Å; L194-D196 PolarHBondContact O-N 2.88Å; D196-R198 PolarHBondContact O-N 3.48Å; D196-R198 WeakPolarHBondContact OD1-CG 3.31Å; D196-R198 IonicContact OD1-CZ 2.86Å; D196-R198 PolarHBondContact OD1-N 3.47Å; D196-R198 IonicContact OD1-NH1 2.69Å; D196-R198 PolarHBondContact OD1-NH1 2.77Å; D196-R198 VanDerWaalsContact OD1-NH1 3.1Å; D196-R198 IonicContact OD2-CZ 2.79Å; D196-R198 IonicContact OD2-NH1 3.53Å; D196-R198 PolarHBondContact OD2-NH1 3.08Å; D196-R199 HydrophobicContact CB-CB 3.94Å; D196-R199 WeakPolarHBondContact O-CA 3.38Å; D196-R199 WeakPolarHBondContact O-CB 3.44Å; D196-R199 PolarHBondContact O-N 2.9Å; D196-S200 PolarHBondContact O-N 3.37Å; D196-S200 PolarHBondContact O-OG 2.9Å; D196-S200 VanDerWaalsContact O-OG 3.09Å
197P65Low58.7Low102 Ų102124.5 Ų124.566%0.66266%0.664SS**THydrogen-bonded Turntrans-62.4-10.6177.1-21.834.9000114D195D195-P197 WeakPolarHBondContact O-CD 3.25Å
198R63.7Low59Low200 Ų200126.7 Ų126.776%0.75566%0.66SS**THydrogen-bonded Turntrans-84.7-14.3171.4-49-178.2-148.5101.5-11.4113.2D196D196-R198 PolarHBondContact O-N 3.48Å; D196-R198 WeakPolarHBondContact OD1-CG 3.31Å; D196-R198 IonicContact OD1-CZ 2.86Å; D196-R198 PolarHBondContact OD1-N 3.47Å; D196-R198 IonicContact OD1-NH1 2.69Å; D196-R198 PolarHBondContact OD1-NH1 2.77Å; D196-R198 VanDerWaalsContact OD1-NH1 3.1Å; D196-R198 IonicContact OD2-CZ 2.79Å; D196-R198 IonicContact OD2-NH1 3.53Å; D196-R198 PolarHBondContact OD2-NH1 3.08Å
199R63.1Low59Low177 Ų177128.6 Ų128.667%0.66867%0.669SS**THydrogen-bonded Turntrans-109.5-35.4-176.9-166.6174-176.8-92.9-2.8111.6F193 D196 G201F193-R199 WeakPolarHBondContact O-CD 3.41Å; D196-R199 HydrophobicContact CB-CB 3.94Å; D196-R199 WeakPolarHBondContact O-CA 3.38Å; D196-R199 WeakPolarHBondContact O-CB 3.44Å; D196-R199 PolarHBondContact O-N 2.9Å; R199-G201 PolarHBondContact O-N 3.49Å
200S61.1Low58.5Low77 Ų77131.5 Ų131.554%0.53867%0.672SS.*SBendtrans-75.375.3155.142.70000109.4D196D196-S200 PolarHBondContact O-N 3.37Å; D196-S200 PolarHBondContact O-OG 2.9Å; D196-S200 VanDerWaalsContact O-OG 3.09Å
201G55.5Low58.2Low46 Ų46127 Ų12747%0.47467%0.665SS.*  trans-56.9166.8169.300000111.8R199 A203R199-G201 PolarHBondContact O-N 3.49Å; G201-A203 PolarHBondContact O-N 2.97Å
202P66.1Low58.2Low132 Ų132123.2 Ų123.286%0.85766%0.657SS**SBendtrans-45.6127.2-176.6-29.135.3000111.4
203A51.6Low57.7Low90 Ų90129.1 Ų129.174%0.74467%0.673SS**  trans-51.8130.7-174.100000109.3G201 D205G201-A203 PolarHBondContact O-N 2.97Å; A203-D205 PolarHBondContact O-N 3.21Å
204P54.6Low57.8Low123 Ų123125.1 Ų125.180%0.79965%0.653SS**  trans-65.6104.9-169.325.6-34.1000109.4
205D44.2Very low57.7Low144 Ų144124.7 Ų124.777%0.7765%0.647SS**  trans-59.1150.8176.8-151.5-19.6000109.7A203 D207A203-D205 PolarHBondContact O-N 3.21Å; D205-D207 PolarHBondContact O-N 3.45Å
206I50.9Low57.5Low160 Ų160123.7 Ų123.782%0.82164%0.644SS**SBendtrans-75.9-8.6-151.7-20.8-179.1000112.8R208I206-R208 PolarHBondContact O-N 2.86Å; I206-R208 VanDerWaalsContact O-N 3.13Å
207D52.5Low56.9Low117 Ų117133.4 Ų133.463%0.62668%0.679SS**  trans-77.3102.1-177.1-157.6-21.9000112.6D205 K209D205-D207 PolarHBondContact O-N 3.45Å; D207-K209 WeakPolarHBondContact OD1-CB 3.5Å; D207-K209 PolarHBondContact OD1-N 2.78Å
208R54.8Low56.5Low206 Ų206133.9 Ų133.978%0.77768%0.676SS**  trans-100.515.7179-142.4-175.9-161.291.3-10.8112.6I206I206-R208 PolarHBondContact O-N 2.86Å; I206-R208 VanDerWaalsContact O-N 3.13Å
209K52.2Low56.2Low200 Ų200132.7 Ų132.787%0.8767%0.672SS**SBendtrans-116.1-15.1-166.7-77.6179.9173.1175.80116.7D207D207-K209 WeakPolarHBondContact OD1-CB 3.5Å; D207-K209 PolarHBondContact OD1-N 2.78Å
210E52.3Low56.2Low178 Ų178125.5 Ų125.583%0.83265%0.652SS**SBendtrans-129.8137-179.6-159153.3-125.500112
211G54.3Low56.2Low66 Ų66122.7 Ų122.768%0.6864%0.636SS**SBendtrans90140.6178.700000116.4
212S60.4Low56.1Low43 Ų43125.3 Ų125.330%0.30164%0.639SS.*  trans-68.9128.7173.7-175.20000111R214 L222S212-R214 PolarHBondContact O-N 3.45Å; S212-L222 WeakPolarHBondContact CB-O 3.49Å
213R59.1Low55.7Low217 Ų217123.8 Ų123.882%0.81962%0.623SS**  trans-7225.8179.2-65174.558.91161.5114.1
214R60.3Low55.7Low92 Ų92125.6 Ų125.635%0.34761%0.614SS.*SBendtrans-97.7140-176.2-69.8-178.8179.7158.44110.5S212 V216 W219 F224S212-R214 PolarHBondContact O-N 3.45Å; R214-V216 PolarHBondContact O-N 3.02Å; R214-W219 HydrophobicContact CB-CB 4.32Å; R214-F224 VanDerWaalsContact NH1-CE1 3.27Å
215H57.6Low55.9Low123 Ų123127.4 Ų127.457%0.56962%0.617SS**  trans-73.1113.8175.1-171-103.5000109.5R217 N218 W219H215-R217 PolarHBondContact O-N 3.25Å; H215-N218 HydrophobicContact CB-CB 4.38Å; H215-N218 PolarHBondContact CE1-OD1 2.9Å; H215-N218 PolarHBondContact ND1-OD1 3.33Å; H215-N218 PolarHBondContact O-N 3.5Å; H215-W219 PolarHBondContact O-N 3.23Å
216V57.2Low56.6Low84 Ų84125.8 Ų125.851%0.50961%0.609SS.*THydrogen-bonded Turntrans-45.5-39.2-172.8-1760000112.8R214 G221 L222R214-V216 PolarHBondContact O-N 3.02Å; V216-G221 WeakPolarHBondContact O-CA 3.11Å; V216-G221 PolarHBondContact O-N 2.88Å; V216-L222 HydrophobicContact CG2-CD2 4.05Å; V216-L222 HydrophobicContact CG2-CG 4.19Å
217R59.4Low57.2Low224 Ų224121.1 Ų121.185%0.84559%0.588SS**THydrogen-bonded Turntrans-85.7-6.5-176.1-160.6138.975.5100.5-7.3115.5H215H215-R217 PolarHBondContact O-N 3.25Å
218N56.3Low57.5Low112 Ų112119.6 Ų119.660%0.59958%0.576SS**THydrogen-bonded Turntrans-120.8-18.5-172.7-63.744.9000114.1H215H215-N218 HydrophobicContact CB-CB 4.38Å; H215-N218 PolarHBondContact CE1-OD1 2.9Å; H215-N218 PolarHBondContact ND1-OD1 3.33Å; H215-N218 PolarHBondContact O-N 3.5Å
219W56.1Low57.5Low176 Ų176115.2 Ų115.267%0.66757%0.572SS**THydrogen-bonded Turntrans-13946.8-175.4-75.5103.6000113.3R214 H215R214-W219 HydrophobicContact CB-CB 4.32Å; H215-W219 PolarHBondContact O-N 3.23Å
220G63.8Low57.7Low25 Ų25108.3 Ų108.326%0.25856%0.557SS.*THydrogen-bonded Turntrans70.745.216900000114.8N226G220-N226 CarbonylContact C-O 3.59Å; G220-N226 VanDerWaalsContact CA-O 3.22Å; G220-N226 WeakPolarHBondContact CA-O 3.46Å; G220-N226 CarbonylContact O-C 3.55Å; G220-N226 WeakPolarHBondContact O-CB 3.33Å
221G61.1Low57.6Low19 Ų19106.1 Ų106.120%0.19655%0.547CS..SBendtrans76.2-154.3176.500000114.4V216V216-G221 WeakPolarHBondContact O-CA 3.11Å; V216-G221 PolarHBondContact O-N 2.88Å
222L53.8Low57.5Low101 Ų101107.9 Ų107.953%0.52954%0.537SS..SBendtrans-82.6-32.4-178.6-74.3159.3000112.6S212 V216S212-L222 WeakPolarHBondContact CB-O 3.49Å; V216-L222 HydrophobicContact CG2-CD2 4.05Å; V216-L222 HydrophobicContact CG2-CG 4.19Å
223D57.6Low57.2Low99 Ų99110.1 Ų110.153%0.52955%0.545SS..SBendtrans-122.1158.4-167.4-62.4-66.4000113D225 N226D223-D225 VanDerWaalsContact C-N 3.28Å; D223-D225 PolarHBondContact O-N 3.16Å; D223-N226 PolarHBondContact O-N 2.84Å
224F52Low57Low128 Ų128106.6 Ų106.656%0.56154%0.538SS*.G310 helixtrans-66.8-25.8-171.9-76.9-108.8000114.1R214 N226 V227R214-F224 VanDerWaalsContact NH1-CE1 3.27Å; F224-N226 VanDerWaalsContact C-N 3.27Å; F224-N226 PolarHBondContact O-N 3.22Å; F224-V227 WeakPolarHBondContact O-CB 3.29Å; F224-V227 WeakPolarHBondContact O-CG2 3.04Å; F224-V227 PolarHBondContact O-N 3.07Å
225D57.3Low56.7Low161 Ų161108.7 Ų108.786%0.86155%0.546SS*.G310 helixtrans-75.4-17.1-176.6-56.6-45000113D223 V227D223-D225 VanDerWaalsContact C-N 3.28Å; D223-D225 PolarHBondContact O-N 3.16Å; D225-V227 VanDerWaalsContact C-N 3.33Å
226N59.3Low56.5Low111 Ų111105.3 Ų105.359%0.59453%0.531SS*.G310 helixtrans-90.77.4174-71.7-56.4000112.8G220 D223 F224 K228G220-N226 CarbonylContact C-O 3.59Å; G220-N226 VanDerWaalsContact CA-O 3.22Å; G220-N226 WeakPolarHBondContact CA-O 3.46Å; G220-N226 CarbonylContact O-C 3.55Å; G220-N226 WeakPolarHBondContact O-CB 3.33Å; D223-N226 PolarHBondContact O-N 2.84Å; F224-N226 VanDerWaalsContact C-N 3.27Å; F224-N226 PolarHBondContact O-N 3.22Å; N226-K228 PolarHBondContact O-N 2.83Å
227V64.3Low55.8Low61 Ų61111.5 Ų111.537%0.3755%0.545SS..SBendtrans-78.889.4173.8-178.40000109.8F224 D225 T229F224-V227 WeakPolarHBondContact O-CB 3.29Å; F224-V227 WeakPolarHBondContact O-CG2 3.04Å; F224-V227 PolarHBondContact O-N 3.07Å; D225-V227 VanDerWaalsContact C-N 3.33Å; V227-T229 PolarHBondContact O-N 3.41Å
228K57.8Low55.3Low86 Ų86106.3 Ų106.337%0.37454%0.538SS..  trans-44.7100.6176.6-165123.9165.6164.60112.6N226 E232 E236N226-K228 PolarHBondContact O-N 2.83Å; K228-E232 HydrophobicContact CD-CB 4.47Å; K228-E232 WeakPolarHBondContact CD-OE2 3.35Å; K228-E232 WeakPolarHBondContact CE-OE1 3.4Å; K228-E232 WeakPolarHBondContact CE-OE2 3.09Å; K228-E232 HydrophobicContact CG-CB 4.22Å; K228-E232 IonicContact NZ-OE1 2.83Å; K228-E232 PolarHBondContact NZ-OE1 2.89Å; K228-E232 IonicContact NZ-OE2 3.17Å; K228-E232 PolarHBondContact NZ-OE2 3.23Å; K228-E236 WeakPolarHBondContact CE-OE2 3.42Å; K228-E236 IonicContact NZ-OE1 2.72Å; K228-E236 IonicContact NZ-OE2 4Å; K228-E236 PolarHBondContact NZ-OE2 3.13Å
229T55.8Low55.1Low114 Ų114105.5 Ų105.570%0.69954%0.541SS*.  trans-66.7134.7173.829.10000109.9V227 H231 E232V227-T229 PolarHBondContact O-N 3.41Å; T229-H231 PolarHBondContact O-N 3.08Å; T229-E232 PolarHBondContact O-N 3.33Å
230G55Low54.8Low55 Ų55106.2 Ų106.257%0.56754%0.544SS*.THydrogen-bonded Turntrans-57-19.4-15800000117.7E232 L233G230-E232 PolarHBondContact O-N 3.41Å; G230-E232 VanDerWaalsContact O-N 3.16Å; G230-L233 PolarHBondContact O-N 3.16Å; G230-L233 VanDerWaalsContact O-N 3.09Å
231H51Low53.7Low132 Ų132115.3 Ų115.361%0.61157%0.57SS**Hα-helixtrans-59.3-20.8176.4-176.5-109.4000114.4T229 R235T229-H231 PolarHBondContact O-N 3.08Å; H231-R235 PolarHBondContact CD2-NH1 3.07Å; H231-R235 PolarHBondContact CE1-NH1 3.45Å; H231-R235 PolarHBondContact NE2-NH1 3.49Å; H231-R235 PolarHBondContact O-NH1 2.89Å
232E53Low53Low103 Ų103121 Ų12148%0.48160%0.604SS.*Hα-helixtrans-87.7-31.3175.1-158-167.215700112.7K228 T229 G230 R235 E236K228-E232 HydrophobicContact CD-CB 4.47Å; K228-E232 WeakPolarHBondContact CD-OE2 3.35Å; K228-E232 WeakPolarHBondContact CE-OE1 3.4Å; K228-E232 WeakPolarHBondContact CE-OE2 3.09Å; K228-E232 HydrophobicContact CG-CB 4.22Å; K228-E232 IonicContact NZ-OE1 2.83Å; K228-E232 PolarHBondContact NZ-OE1 2.89Å; K228-E232 IonicContact NZ-OE2 3.17Å; K228-E232 PolarHBondContact NZ-OE2 3.23Å; T229-E232 PolarHBondContact O-N 3.33Å; G230-E232 PolarHBondContact O-N 3.41Å; G230-E232 VanDerWaalsContact O-N 3.16Å; E232-R235 PolarHBondContact O-N 3.24Å; E232-E236 WeakPolarHBondContact O-CB 3.37Å; E232-E236 PolarHBondContact O-N 3.48Å; E232-E236 VanDerWaalsContact O-N 3.11Å
233L53.7Low52.2Low89 Ų89118.3 Ų118.347%0.46660%0.601SS.*Hα-helixtrans-66.1-43.6-175.9-17074000111.8G230 R235 E236 W237G230-L233 PolarHBondContact O-N 3.16Å; G230-L233 VanDerWaalsContact O-N 3.09Å; L233-R235 VanDerWaalsContact C-N 3.35Å; L233-R235 PolarHBondContact O-N 3.41Å; L233-E236 PolarHBondContact O-N 2.89Å; L233-W237 PolarHBondContact O-N 2.72Å
234E54.6Low51.9Low144 Ų144120.1 Ų120.167%0.67362%0.618SS**Hα-helixtrans-57.8-44.4179.6-177175.5-133.500112.1T238E234-T238 PolarHBondContact O-OG1 2.71Å
235R54.3Low52Low136 Ų136124.1 Ų124.151%0.51364%0.635SS.*Hα-helixtrans-71.6-35176.7-71-174.8174.480.2-4112.7H231 E232 L233 W237 T238 S239H231-R235 PolarHBondContact CD2-NH1 3.07Å; H231-R235 PolarHBondContact CE1-NH1 3.45Å; H231-R235 PolarHBondContact NE2-NH1 3.49Å; H231-R235 PolarHBondContact O-NH1 2.89Å; E232-R235 PolarHBondContact O-N 3.24Å; L233-R235 VanDerWaalsContact C-N 3.35Å; L233-R235 PolarHBondContact O-N 3.41Å; R235-W237 PolarHBondContact O-N 3.28Å; R235-T238 PolarHBondContact O-N 2.8Å; R235-T238 PolarHBondContact O-OG1 2.98Å; R235-S239 WeakPolarHBondContact O-CB 3.42Å; R235-S239 PolarHBondContact O-N 3.37Å; R235-S239 PolarHBondContact O-OG 3.25Å
236E52.9Low51.7Low51 Ų51120.2 Ų120.224%0.23863%0.633CS.*Hα-helixtrans-69.8-33.9-176.1-173.6162.9-149.600113.4K228 E232 L233 T238 S239 R240K228-E236 WeakPolarHBondContact CE-OE2 3.42Å; K228-E236 IonicContact NZ-OE1 2.72Å; K228-E236 IonicContact NZ-OE2 4Å; K228-E236 PolarHBondContact NZ-OE2 3.13Å; E232-E236 WeakPolarHBondContact O-CB 3.37Å; E232-E236 PolarHBondContact O-N 3.48Å; E232-E236 VanDerWaalsContact O-N 3.11Å; L233-E236 PolarHBondContact O-N 2.89Å; E236-T238 VanDerWaalsContact C-N 3.33Å; E236-S239 PolarHBondContact O-N 2.95Å; E236-R240 HydrophobicContact CG-CG 4.27Å; E236-R240 WeakPolarHBondContact O-CG 3.23Å; E236-R240 IonicContact OE1-CZ 2.8Å; E236-R240 IonicContact OE1-NE 2.65Å; E236-R240 PolarHBondContact OE1-NE 3.46Å; E236-R240 IonicContact OE1-NH2 2.71Å; E236-R240 PolarHBondContact OE1-NH2 3.11Å
237W43.9Very low51.3Low215 Ų215118.2 Ų118.281%0.81464%0.639SS**Hα-helixtrans-68.6-32176.5-76.552.4000112.3L233 R235L233-W237 PolarHBondContact O-N 2.72Å; R235-W237 PolarHBondContact O-N 3.28Å
238T47.8Very low50.7Low115 Ų115121.2 Ų121.271%0.70666%0.662SS**Hα-helixtrans-81.3-25.5175.143.80000114.3E234 R235 E236E234-T238 PolarHBondContact O-OG1 2.71Å; R235-T238 PolarHBondContact O-N 2.8Å; R235-T238 PolarHBondContact O-OG1 2.98Å; E236-T238 VanDerWaalsContact C-N 3.33Å
239S51.9Low50.6Low94 Ų94121.8 Ų121.866%0.65767%0.673SS**Hα-helixtrans-98.5-2-169.7-61.70000115.7R235 E236 R241R235-S239 WeakPolarHBondContact O-CB 3.42Å; R235-S239 PolarHBondContact O-N 3.37Å; R235-S239 PolarHBondContact O-OG 3.25Å; E236-S239 PolarHBondContact O-N 2.95Å; S239-R241 PolarHBondContact O-N 3.18Å
240R49.3Very low50.8Low191 Ų191120.3 Ų120.372%0.72166%0.66SS**SBendtrans-96.236-177-74.2-172.8173.6-81.81.1115.1E236E236-R240 HydrophobicContact CG-CG 4.27Å; E236-R240 WeakPolarHBondContact O-CG 3.23Å; E236-R240 IonicContact OE1-CZ 2.8Å; E236-R240 IonicContact OE1-NE 2.65Å; E236-R240 PolarHBondContact OE1-NE 3.46Å; E236-R240 IonicContact OE1-NH2 2.71Å; E236-R240 PolarHBondContact OE1-NH2 3.11Å
241R41.9Very low51Low216 Ų216123.2 Ų123.282%0.81566%0.661SS**SBendtrans-141.3118.3168.7-137.2-178.5-159.9-96.36.2111.5S239 G243S239-R241 PolarHBondContact O-N 3.18Å; R241-G243 VanDerWaalsContact C-N 3.3Å; R241-G243 PolarHBondContact O-N 3.01Å
242P45.5Very low51.5Low138 Ų138117.7 Ų117.790%0.89664%0.637SS**  trans-80.572.7-179.932.7-34.9000112.3
243G38.3Very low51.6Low46 Ų46118.8 Ų118.847%0.47464%0.643SS.*  trans65.9-174.1167.100000117.5R241R241-G243 VanDerWaalsContact C-N 3.3Å; R241-G243 PolarHBondContact O-N 3.01Å
244P49.9Very low52.2Low137 Ų137118.9 Ų118.989%0.8965%0.651SS**  cis-86.1-173.2-19.537.2-33.4000112
245K53.7Low52.7Low212 Ų212115.7 Ų115.792%0.92264%0.637SS**  trans-95.6160.1175.7-65176.9-179.6175.20111.5
246G52.4Low53.7Low78 Ų78113.2 Ų113.280%0.80464%0.637SS**  trans94.7140.4165.100000113.5
247G50.3Low54.6Low70 Ų70113 Ų11372%0.72265%0.649SS**  trans75.690.4-179.900000114V249G247-V249 PolarHBondContact O-N 3.08Å
248S50.9Low56Low123 Ų123111.2 Ų111.286%0.8664%0.642SS**  trans-66.591145.6176.10000106.5D250S248-D250 PolarHBondContact O-N 2.98Å
249V57.1Low57.6Low99 Ų99109.3 Ų109.360%0.663%0.625SS**  trans-47.1118.8167.7172.60000106.6G247 M251 M253G247-V249 PolarHBondContact O-N 3.08Å; V249-M251 PolarHBondContact O-N 3.2Å; V249-M253 HydrophobicContact CG1-CB 3.96Å
250D59.7Low58.9Low82 Ų82108.9 Ų108.944%0.43961%0.609SS.*  trans-51.9132.2-172.1177.324000108.9S248 T252 M253S248-D250 PolarHBondContact O-N 2.98Å; D250-T252 PolarHBondContact O-N 3.3Å; D250-T252 WeakPolarHBondContact OD2-CB 3.47Å; D250-T252 VanDerWaalsContact OD2-CG2 3.23Å; D250-T252 WeakPolarHBondContact OD2-CG2 3.32Å; D250-T252 PolarHBondContact OD2-OG1 3.06Å; D250-M253 HydrophobicContact CB-CG 4.38Å; D250-M253 WeakPolarHBondContact O-CB 3.37Å; D250-M253 PolarHBondContact O-N 2.93Å
251M59.9Low60.4Low116 Ų116102.1 Ų102.157%0.57160%0.595SS**Hα-helixtrans-61.5-25-170.5-151.1162.369.200110.3V249 M253 S254 M255 Y263V249-M251 PolarHBondContact O-N 3.2Å; M251-M253 VanDerWaalsContact C-N 3.34Å; M251-M253 PolarHBondContact O-N 2.96Å; M251-S254 PolarHBondContact O-N 3.21Å; M251-M255 VanDerWaalsContact O-CG 3.3Å; M251-M255 WeakPolarHBondContact O-CG 3.25Å; M251-M255 PolarHBondContact O-N 3.05Å; M251-Y263 HydrophobicContact CE-CE2 4.32Å
252T61Low62.4Low17 Ų1797 Ų9710%0.10458%0.58CS.*Hα-helixtrans-58.3-38.6169.8770000113.6D250 S254 M255 R260 Y263D250-T252 PolarHBondContact O-N 3.3Å; D250-T252 WeakPolarHBondContact OD2-CB 3.47Å; D250-T252 VanDerWaalsContact OD2-CG2 3.23Å; D250-T252 WeakPolarHBondContact OD2-CG2 3.32Å; D250-T252 PolarHBondContact OD2-OG1 3.06Å; T252-S254 VanDerWaalsContact C-N 3.28Å; T252-S254 PolarHBondContact O-N 2.99Å; T252-M255 PolarHBondContact O-N 3.06Å; T252-R260 WeakPolarHBondContact O-CD 3.03Å; T252-R260 WeakPolarHBondContact O-CG 3.43Å; T252-R260 PolarHBondContact O-NH1 3Å; T252-Y263 HydrophobicContact CG2-CD1 3.68Å; T252-Y263 HydrophobicContact CG2-CE1 3.73Å
253M55.1Low64.2Low125 Ų12593.9 Ų93.962%0.61655%0.551SS**Hα-helixtrans-66.6-30.9179.1-65.6-73.999.500112V249 D250 M251V249-M253 HydrophobicContact CG1-CB 3.96Å; D250-M253 HydrophobicContact CB-CG 4.38Å; D250-M253 WeakPolarHBondContact O-CB 3.37Å; D250-M253 PolarHBondContact O-N 2.93Å; M251-M253 VanDerWaalsContact C-N 3.34Å; M251-M253 PolarHBondContact O-N 2.96Å
254S66.3Low66.6Low91 Ų9196.6 Ų96.664%0.63655%0.554SS**Hα-helixtrans-83.9-16.4-179.4-56.20000114.1M251 T252M251-S254 PolarHBondContact O-N 3.21Å; T252-S254 VanDerWaalsContact C-N 3.28Å; T252-S254 PolarHBondContact O-N 2.99Å
255M65.6Low68.4Low77 Ų7799.4 Ų99.438%0.37955%0.547SS..SBendtrans-94.9159.3179.4-60.3-60.7-70.800111.4M251 T252 E259 R260M251-M255 VanDerWaalsContact O-CG 3.3Å; M251-M255 WeakPolarHBondContact O-CG 3.25Å; M251-M255 PolarHBondContact O-N 3.05Å; T252-M255 PolarHBondContact O-N 3.06Å; M255-E259 HydrophobicContact CB-CB 3.91Å; M255-E259 HydrophobicContact CE-CB 3.86Å; M255-E259 VanDerWaalsContact CE-CD 3.48Å; M255-E259 HydrophobicContact CE-CG 4.03Å; M255-E259 WeakPolarHBondContact CE-OE1 3.22Å; M255-R260 PolarHBondContact O-NH1 3.11Å
256T73.4Confident70.1Confident84 Ų8494.4 Ų94.452%0.51552%0.522SS..  trans-70.5167177.467.30000112.5R258 E259 R260T256-R258 VanDerWaalsContact C-N 3.27Å; T256-R258 PolarHBondContact O-N 3.11Å; T256-E259 WeakPolarHBondContact CB-OE2 3.47Å; T256-E259 VanDerWaalsContact CG2-OE2 3.28Å; T256-E259 WeakPolarHBondContact CG2-OE2 3.41Å; T256-E259 PolarHBondContact N-OE2 3.39Å; T256-E259 PolarHBondContact O-N 2.97Å; T256-E259 VanDerWaalsContact OG1-CD 3.28Å; T256-E259 WeakPolarHBondContact OG1-CG 3.33Å; T256-E259 PolarHBondContact OG1-OE2 2.97Å; T256-R260 WeakPolarHBondContact O-CB 3.26Å; T256-R260 PolarHBondContact O-N 2.73Å
257G72.8Confident72Confident48 Ų4895.8 Ų95.850%0.49551%0.506SS..Hα-helixtrans-59.3-31.6-178.100000115.1A261G257-A261 PolarHBondContact O-N 3.32Å
258R73.1Confident73.9Confident176 Ų17699.2 Ų99.266%0.66450%0.501SS*.Hα-helixtrans-74.8-48.4175.1174.5175.2-81.8179.5-12.1111T256 R260 A261 E262T256-R258 VanDerWaalsContact C-N 3.27Å; T256-R258 PolarHBondContact O-N 3.11Å; R258-R260 PolarHBondContact O-N 2.87Å; R258-A261 WeakPolarHBondContact O-CB 3.43Å; R258-A261 PolarHBondContact O-N 3.18Å; R258-E262 WeakPolarHBondContact CG-OE1 3.19Å; R258-E262 PolarHBondContact O-N 2.76Å
259E81.9Confident75.8Confident75 Ų7598.5 Ų98.535%0.3548%0.484SS..Hα-helixtrans-61.8-31.8176.3-65.4164.3131.600112.1M255 T256 E262 Y263M255-E259 HydrophobicContact CB-CB 3.91Å; M255-E259 HydrophobicContact CE-CB 3.86Å; M255-E259 VanDerWaalsContact CE-CD 3.48Å; M255-E259 HydrophobicContact CE-CG 4.03Å; M255-E259 WeakPolarHBondContact CE-OE1 3.22Å; T256-E259 WeakPolarHBondContact CB-OE2 3.47Å; T256-E259 VanDerWaalsContact CG2-OE2 3.28Å; T256-E259 WeakPolarHBondContact CG2-OE2 3.41Å; T256-E259 PolarHBondContact N-OE2 3.39Å; T256-E259 PolarHBondContact O-N 2.97Å; T256-E259 VanDerWaalsContact OG1-CD 3.28Å; T256-E259 WeakPolarHBondContact OG1-CG 3.33Å; T256-E259 PolarHBondContact OG1-OE2 2.97Å; E259-E262 PolarHBondContact O-N 2.78Å; E259-Y263 VanDerWaalsContact O-CB 3.26Å; E259-Y263 WeakPolarHBondContact O-CB 3.18Å; E259-Y263 PolarHBondContact O-N 2.69Å
260R79.3Confident77.5Confident85 Ų85100.8 Ų100.832%0.32148%0.482SS..Hα-helixtrans-60.5-46.6168.4-84.6-164.2-82-90.24.7112.3T252 M255 T256 R258 E262 Y263 L264T252-R260 WeakPolarHBondContact O-CD 3.03Å; T252-R260 WeakPolarHBondContact O-CG 3.43Å; T252-R260 PolarHBondContact O-NH1 3Å; M255-R260 PolarHBondContact O-NH1 3.11Å; T256-R260 WeakPolarHBondContact O-CB 3.26Å; T256-R260 PolarHBondContact O-N 2.73Å; R258-R260 PolarHBondContact O-N 2.87Å; R260-E262 VanDerWaalsContact C-N 3.34Å; R260-Y263 PolarHBondContact O-N 3.09Å; R260-L264 WeakPolarHBondContact O-CB 3.17Å; R260-L264 VanDerWaalsContact O-CG 3.26Å; R260-L264 WeakPolarHBondContact O-CG 3.36Å; R260-L264 PolarHBondContact O-N 3.16Å
261A80.3Confident78.7Confident50 Ų50101.9 Ų101.941%0.41348%0.484SS..Hα-helixtrans-66.6-36.9179.100000111.8G257 R258 R265G257-A261 PolarHBondContact O-N 3.32Å; R258-A261 WeakPolarHBondContact O-CB 3.43Å; R258-A261 PolarHBondContact O-N 3.18Å; A261-R265 WeakPolarHBondContact O-CB 3.09Å; A261-R265 WeakPolarHBondContact O-CG 3.29Å; A261-R265 PolarHBondContact O-N 3.18Å
262E83.6Confident79.9Confident108 Ų108102.1 Ų102.151%0.50548%0.484SS..Hα-helixtrans-67.9-43173.4-71.5167.9-152.700112R258 E259 R260 L264 R265 W266R258-E262 WeakPolarHBondContact CG-OE1 3.19Å; R258-E262 PolarHBondContact O-N 2.76Å; E259-E262 PolarHBondContact O-N 2.78Å; R260-E262 VanDerWaalsContact C-N 3.34Å; E262-L264 PolarHBondContact O-N 2.86Å; E262-R265 PolarHBondContact O-N 2.86Å; E262-W266 WeakPolarHBondContact O-CB 3.16Å; E262-W266 PolarHBondContact O-N 3.43Å
263Y84.4Confident80.7Confident73 Ų73105.2 Ų105.229%0.28650%0.499SS..Hα-helixtrans-64.2-38.4174.1-179-98.6000112.3M251 T252 E259 R260 W266 K267M251-Y263 HydrophobicContact CE-CE2 4.32Å; T252-Y263 HydrophobicContact CG2-CD1 3.68Å; T252-Y263 HydrophobicContact CG2-CE1 3.73Å; E259-Y263 VanDerWaalsContact O-CB 3.26Å; E259-Y263 WeakPolarHBondContact O-CB 3.18Å; E259-Y263 PolarHBondContact O-N 2.69Å; R260-Y263 PolarHBondContact O-N 3.09Å; Y263-W266 AromaticContact CD2-CE3 3.86Å; Y263-W266 HydrophobicContact CD2-CE3 3.86Å; Y263-W266 HydrophobicContact CD2-CZ3 4.11Å; Y263-W266 AromaticContact CE2-CE3 3.8Å; Y263-W266 HydrophobicContact CE2-CE3 3.8Å; Y263-W266 AromaticContact CE2-CZ3 3.56Å; Y263-W266 HydrophobicContact CE2-CZ3 3.56Å; Y263-W266 PolarHBondContact O-N 2.67Å; Y263-K267 VanDerWaalsContact O-CB 3.23Å; Y263-K267 WeakPolarHBondContact O-CB 3.22Å; Y263-K267 PolarHBondContact O-N 2.7Å
264L88.3Confident82.2Confident102 Ų102102.5 Ų102.553%0.53449%0.487SS..Hα-helixtrans-67.7-38.1173.5-73.3169.6000111.8R260 E262 K268R260-L264 WeakPolarHBondContact O-CB 3.17Å; R260-L264 VanDerWaalsContact O-CG 3.26Å; R260-L264 WeakPolarHBondContact O-CG 3.36Å; R260-L264 PolarHBondContact O-N 3.16Å; E262-L264 PolarHBondContact O-N 2.86Å; L264-K268 VanDerWaalsContact O-CB 3.23Å; L264-K268 WeakPolarHBondContact O-CB 3.23Å; L264-K268 PolarHBondContact O-N 2.7Å
265R87.5Confident82.7Confident196 Ų196103.9 Ų103.974%0.7448%0.483SS*.Hα-helixtrans-63.2-47.2171.6-79.9174.2168.6-175.5-5111.5A261 E262 K268 E269A261-R265 WeakPolarHBondContact O-CB 3.09Å; A261-R265 WeakPolarHBondContact O-CG 3.29Å; A261-R265 PolarHBondContact O-N 3.18Å; E262-R265 PolarHBondContact O-N 2.86Å; R265-K268 CarbonylContact O-C 3.58Å; R265-K268 PolarHBondContact O-N 3.17Å; R265-E269 WeakPolarHBondContact O-CB 3.14Å; R265-E269 PolarHBondContact O-N 3.23Å
266W89.8Confident83.2Confident108 Ų108104.8 Ų104.841%0.40949%0.487SS..Hα-helixtrans-64.7-40.1176.4171.477000112.9E262 Y263 E269 R270E262-W266 WeakPolarHBondContact O-CB 3.16Å; E262-W266 PolarHBondContact O-N 3.43Å; Y263-W266 AromaticContact CD2-CE3 3.86Å; Y263-W266 HydrophobicContact CD2-CE3 3.86Å; Y263-W266 HydrophobicContact CD2-CZ3 4.11Å; Y263-W266 AromaticContact CE2-CE3 3.8Å; Y263-W266 HydrophobicContact CE2-CE3 3.8Å; Y263-W266 AromaticContact CE2-CZ3 3.56Å; Y263-W266 HydrophobicContact CE2-CZ3 3.56Å; Y263-W266 PolarHBondContact O-N 2.67Å; W266-E269 PolarHBondContact O-N 3.17Å; W266-R270 HydrophobicContact CD2-CG 4.37Å; W266-R270 HydrophobicContact CZ2-CG 4Å; W266-R270 WeakPolarHBondContact O-CB 3.37Å; W266-R270 WeakPolarHBondContact O-CG 3.47Å; W266-R270 PolarHBondContact O-N 3.29Å
267K92.6Very high83.4Confident106 Ų106106.4 Ų106.446%0.46148%0.483SS..Hα-helixtrans-62.9-46.1174.3-174.6-175.2174.7-1690109.9Y263 R270 E271Y263-K267 VanDerWaalsContact O-CB 3.23Å; Y263-K267 WeakPolarHBondContact O-CB 3.22Å; Y263-K267 PolarHBondContact O-N 2.7Å; K267-R270 WeakPolarHBondContact O-CB 3.13Å; K267-R270 PolarHBondContact O-N 3Å; K267-E271 WeakPolarHBondContact O-CB 3.49Å; K267-E271 PolarHBondContact O-N 3.26Å
268K89.4Confident83.2Confident142 Ų142106.7 Ų106.762%0.61747%0.473SS*.Hα-helixtrans-65.9-34.4176.1-175.1169.3-178.3171.70112.8L264 R265 Q272L264-K268 VanDerWaalsContact O-CB 3.23Å; L264-K268 WeakPolarHBondContact O-CB 3.23Å; L264-K268 PolarHBondContact O-N 2.7Å; R265-K268 CarbonylContact O-C 3.58Å; R265-K268 PolarHBondContact O-N 3.17Å; K268-Q272 WeakPolarHBondContact O-CB 3.19Å; K268-Q272 PolarHBondContact O-N 2.83Å
269E89.8Confident83Confident108 Ų108101.6 Ų101.651%0.50547%0.469SS..Hα-helixtrans-66.7-43.7172.5-177-168.3-176.200110.8R265 W266 Q272 I273R265-E269 WeakPolarHBondContact O-CB 3.14Å; R265-E269 PolarHBondContact O-N 3.23Å; W266-E269 PolarHBondContact O-N 3.17Å; E269-Q272 PolarHBondContact O-N 3.08Å; E269-I273 HydrophobicContact CG-CD1 3.98Å; E269-I273 WeakPolarHBondContact O-CB 3.35Å; E269-I273 WeakPolarHBondContact O-CD1 3.39Å; E269-I273 WeakPolarHBondContact O-CG1 3.47Å; E269-I273 PolarHBondContact O-N 2.95Å
270R92.8Very high82.1Confident148 Ų148105.4 Ų105.456%0.55848%0.48SS*.Hα-helixtrans-62.1-44173.8-84.3-68.6-168.285.3-1.8112.5W266 K267 I273 D274W266-R270 HydrophobicContact CD2-CG 4.37Å; W266-R270 HydrophobicContact CZ2-CG 4Å; W266-R270 WeakPolarHBondContact O-CB 3.37Å; W266-R270 WeakPolarHBondContact O-CG 3.47Å; W266-R270 PolarHBondContact O-N 3.29Å; K267-R270 WeakPolarHBondContact O-CB 3.13Å; K267-R270 PolarHBondContact O-N 3Å; R270-I273 PolarHBondContact O-N 3.38Å; R270-D274 PolarHBondContact O-N 2.97Å
271E86.1Confident80.9Confident105 Ų105103.1 Ų103.149%0.49147%0.473SS..Hα-helixtrans-62.7-48.7175.8-169.8162.8-11700110K267 I273 D274 E275K267-E271 WeakPolarHBondContact O-CB 3.49Å; K267-E271 PolarHBondContact O-N 3.26Å; E271-I273 VanDerWaalsContact C-N 3.35Å; E271-I273 PolarHBondContact O-N 2.78Å; E271-D274 CarbonylContact O-C 3.58Å; E271-D274 PolarHBondContact O-N 2.76Å; E271-D274 VanDerWaalsContact O-N 3.15Å; E271-E275 WeakPolarHBondContact O-CB 3.34Å; E271-E275 WeakPolarHBondContact O-CG 3.45Å; E271-E275 PolarHBondContact O-N 3.25Å
272Q84.9Confident79.8Confident120 Ų120109.2 Ų109.256%0.56149%0.485SS*.Hα-helixtrans-60.8-38.4174-176177.45.800112.7K268 E269 E276K268-Q272 WeakPolarHBondContact O-CB 3.19Å; K268-Q272 PolarHBondContact O-N 2.83Å; E269-Q272 PolarHBondContact O-N 3.08Å; Q272-E276 WeakPolarHBondContact O-CB 3.35Å; Q272-E276 PolarHBondContact O-N 2.79Å
273I77.7Confident78.6Confident83 Ų83107.4 Ų107.443%0.42648%0.479SS..Hα-helixtrans-66.5-40.8175.2-74.9165.2000110.7E269 R270 E271 R277E269-I273 HydrophobicContact CG-CD1 3.98Å; E269-I273 WeakPolarHBondContact O-CB 3.35Å; E269-I273 WeakPolarHBondContact O-CD1 3.39Å; E269-I273 WeakPolarHBondContact O-CG1 3.47Å; E269-I273 PolarHBondContact O-N 2.95Å; R270-I273 PolarHBondContact O-N 3.38Å; E271-I273 VanDerWaalsContact C-N 3.35Å; E271-I273 PolarHBondContact O-N 2.78Å; I273-R277 WeakPolarHBondContact O-CB 3.41Å; I273-R277 PolarHBondContact O-N 2.9Å
274D85.9Confident77.5Confident67 Ų67109.5 Ų109.536%0.35851%0.511SS..Hα-helixtrans-78.2-29.4179-133.837.8000112.1R270 E271 R277 L278R270-D274 PolarHBondContact O-N 2.97Å; E271-D274 CarbonylContact O-C 3.58Å; E271-D274 PolarHBondContact O-N 2.76Å; E271-D274 VanDerWaalsContact O-N 3.15Å; D274-R277 WeakPolarHBondContact OD1-CD 3.32Å; D274-R277 IonicContact OD1-CZ 3.74Å; D274-R277 IonicContact OD1-NE 3.55Å; D274-R277 IonicContact OD1-NH1 3.1Å; D274-R277 PolarHBondContact OD1-NH1 2.81Å; D274-L278 VanDerWaalsContact O-CB 3.23Å; D274-L278 WeakPolarHBondContact O-CB 3.43Å; D274-L278 PolarHBondContact O-N 2.74Å
275E77.7Confident76Confident120 Ų120109.5 Ų109.556%0.56152%0.516SS*.Hα-helixtrans-63.9-44.4165.7-79.5-175157.900111.9E271 R277 L278 A279E271-E275 WeakPolarHBondContact O-CB 3.34Å; E271-E275 WeakPolarHBondContact O-CG 3.45Å; E271-E275 PolarHBondContact O-N 3.25Å; E275-R277 VanDerWaalsContact C-N 3.33Å; E275-L278 CarbonylContact O-C 3.55Å; E275-L278 VanDerWaalsContact O-CB 3.22Å; E275-L278 WeakPolarHBondContact O-CB 3.47Å; E275-L278 PolarHBondContact O-N 3.15Å; E275-A279 WeakPolarHBondContact O-CB 3.37Å; E275-A279 PolarHBondContact O-N 2.96Å
276E76.7Confident74.9Confident96 Ų96102 Ų10245%0.44950%0.499SS..Hα-helixtrans-70.9-33178.5-164.7-159.6-154.900110.7Q272 R280Q272-E276 WeakPolarHBondContact O-CB 3.35Å; Q272-E276 PolarHBondContact O-N 2.79Å; E276-R280 VanDerWaalsContact CG-NH1 3.35Å; E276-R280 WeakPolarHBondContact O-CB 3.35Å; E276-R280 VanDerWaalsContact O-CG 3.26Å; E276-R280 WeakPolarHBondContact O-CG 3.35Å; E276-R280 PolarHBondContact O-N 3.39Å; E276-R280 IonicContact OE1-CZ 2.83Å; E276-R280 IonicContact OE1-NH1 2.61Å; E276-R280 IonicContact OE1-NH2 3.47Å; E276-R280 PolarHBondContact OE1-NH2 2.8Å; E276-R280 IonicContact OE2-CZ 3.63Å; E276-R280 IonicContact OE2-NH1 3.46Å; E276-R280 PolarHBondContact OE2-NH1 3.39Å; E276-R280 IonicContact OE2-NH2 2.76Å; E276-R280 PolarHBondContact OE2-NH2 3.28Å
277R76.9Confident73.9Confident118 Ų118101.2 Ų101.245%0.44550%0.5SS..Hα-helixtrans-68.5-38169.5-172-167.5-161.2-163.62.5111.8I273 D274 E275 H281I273-R277 WeakPolarHBondContact O-CB 3.41Å; I273-R277 PolarHBondContact O-N 2.9Å; D274-R277 WeakPolarHBondContact OD1-CD 3.32Å; D274-R277 IonicContact OD1-CZ 3.74Å; D274-R277 IonicContact OD1-NE 3.55Å; D274-R277 IonicContact OD1-NH1 3.1Å; D274-R277 PolarHBondContact OD1-NH1 2.81Å; E275-R277 VanDerWaalsContact C-N 3.33Å; R277-H281 WeakPolarHBondContact O-CB 3.12Å; R277-H281 PolarHBondContact O-CD2 3.37Å; R277-H281 PolarHBondContact O-N 2.84Å; R277-H281 VanDerWaalsContact O-N 3.11Å
278L69.2Low72.7Confident54 Ų54103.4 Ų103.428%0.28351%0.505SS..Hα-helixtrans-62.2-47.9170.1-105.1159.2000111.2D274 E275 H281 R282 W288D274-L278 VanDerWaalsContact O-CB 3.23Å; D274-L278 WeakPolarHBondContact O-CB 3.43Å; D274-L278 PolarHBondContact O-N 2.74Å; E275-L278 CarbonylContact O-C 3.55Å; E275-L278 VanDerWaalsContact O-CB 3.22Å; E275-L278 WeakPolarHBondContact O-CB 3.47Å; E275-L278 PolarHBondContact O-N 3.15Å; L278-H281 CarbonylContact O-C 3.26Å; L278-H281 VanDerWaalsContact O-C 3.26Å; L278-H281 WeakPolarHBondContact O-CA 3.21Å; L278-H281 PolarHBondContact O-N 2.89Å; L278-R282 PolarHBondContact O-N 3.38Å; L278-W288 HydrophobicContact CD1-CH2 4.19Å; L278-W288 HydrophobicContact CD1-CZ2 4.39Å; L278-W288 HydrophobicContact CD2-CD2 4.43Å; L278-W288 HydrophobicContact CD2-CH2 3.63Å; L278-W288 HydrophobicContact CD2-CZ2 3.3Å; L278-W288 HydrophobicContact CD2-CZ3 4.28Å; L278-W288 HydrophobicContact CG-CH2 3.58Å; L278-W288 HydrophobicContact CG-CZ2 3.81Å; L278-W288 HydrophobicContact CG-CZ3 4.15Å
279A68.2Low71.6Confident69 Ų6999.6 Ų99.657%0.5749%0.487SS*.Hα-helixtrans-64.1-41.3179.500000111.6E275 H281E275-A279 WeakPolarHBondContact O-CB 3.37Å; E275-A279 PolarHBondContact O-N 2.96Å; A279-H281 PolarHBondContact O-N 3.16Å
280R63Low70.7Confident156 Ų15699.2 Ų99.259%0.58948%0.481SS*.THydrogen-bonded Turntrans-67.8-14.9170.6-71.1-177-165.8106.4-8.5114.2E276E276-R280 VanDerWaalsContact CG-NH1 3.35Å; E276-R280 WeakPolarHBondContact O-CB 3.35Å; E276-R280 VanDerWaalsContact O-CG 3.26Å; E276-R280 WeakPolarHBondContact O-CG 3.35Å; E276-R280 PolarHBondContact O-N 3.39Å; E276-R280 IonicContact OE1-CZ 2.83Å; E276-R280 IonicContact OE1-NH1 2.61Å; E276-R280 IonicContact OE1-NH2 3.47Å; E276-R280 PolarHBondContact OE1-NH2 2.8Å; E276-R280 IonicContact OE2-CZ 3.63Å; E276-R280 IonicContact OE2-NH1 3.46Å; E276-R280 PolarHBondContact OE2-NH1 3.39Å; E276-R280 IonicContact OE2-NH2 2.76Å; E276-R280 PolarHBondContact OE2-NH2 3.28Å
281H53.8Low69Low36 Ų36101 Ų10117%0.16750%0.495CS..THydrogen-bonded Turntrans-117.89.5179.5-65.8-32.4000114R277 L278 A279 R290R277-H281 WeakPolarHBondContact O-CB 3.12Å; R277-H281 PolarHBondContact O-CD2 3.37Å; R277-H281 PolarHBondContact O-N 2.84Å; R277-H281 VanDerWaalsContact O-N 3.11Å; L278-H281 CarbonylContact O-C 3.26Å; L278-H281 VanDerWaalsContact O-C 3.26Å; L278-H281 WeakPolarHBondContact O-CA 3.21Å; L278-H281 PolarHBondContact O-N 2.89Å; A279-H281 PolarHBondContact O-N 3.16Å; H281-R290 PolarHBondContact NE2-NE 2.86Å
282R57.1Low68Low179 Ų179104.6 Ų104.668%0.67551%0.505SS*.BIsolated β-bridgetrans-88.9100.5158.6-83-166.5171.7170.7-0.5108.7L278L278-R282 PolarHBondContact O-N 3.38Å
283N60Low67.3Low69 Ų6999.9 Ų99.937%0.36948%0.483SS..  trans-64.2168.3147.660.38.5000109.4T285 G286 Q287N283-T285 PolarHBondContact ND2-OG1 3.43Å; N283-T285 PolarHBondContact O-N 2.78Å; N283-T285 PolarHBondContact OD1-OG1 3.32Å; N283-G286 PolarHBondContact O-N 3.22Å; N283-G286 PolarHBondContact OD1-N 3.2Å; N283-G286 VanDerWaalsContact OD1-N 3.08Å; N283-Q287 PolarHBondContact OD1-N 2.69Å; N283-Q287 PolarHBondContact OD1-O 3.24Å
284A60.5Low66.7Low117 Ų11799.3 Ų99.397%0.96749%0.491SS*.THydrogen-bonded Turntrans-61.7-13.3-178.500000114.2
285T55.6Low65.4Low103 Ų103104.7 Ų104.763%0.63251%0.514SS*.THydrogen-bonded Turntrans-98.97.6175.451.50000113.9N283 Q287N283-T285 PolarHBondContact ND2-OG1 3.43Å; N283-T285 PolarHBondContact O-N 2.78Å; N283-T285 PolarHBondContact OD1-OG1 3.32Å; T285-Q287 VanDerWaalsContact C-N 3.25Å; T285-Q287 PolarHBondContact O-N 3.5Å
286G65.9Low64.4Low37 Ų37103.3 Ų103.338%0.38151%0.506SS..  trans71.68.4173.200000116.2N283N283-G286 PolarHBondContact O-N 3.22Å; N283-G286 PolarHBondContact OD1-N 3.2Å; N283-G286 VanDerWaalsContact OD1-N 3.08Å
287Q68Low63.3Low92 Ų92102.9 Ų102.943%0.4351%0.511SS..  trans-90.9123.4-176.2-70.5176.2-34.800112N283 T285 R289N283-Q287 PolarHBondContact OD1-N 2.69Å; N283-Q287 PolarHBondContact OD1-O 3.24Å; T285-Q287 VanDerWaalsContact C-N 3.25Å; T285-Q287 PolarHBondContact O-N 3.5Å; Q287-R289 PolarHBondContact O-N 3.05Å
288W66.8Low62Low152 Ų15299.7 Ų99.758%0.57650%0.502SS*.BIsolated β-bridgetrans-7181.2-179.5-63.666.6000112.2L278L278-W288 HydrophobicContact CD1-CH2 4.19Å; L278-W288 HydrophobicContact CD1-CZ2 4.39Å; L278-W288 HydrophobicContact CD2-CD2 4.43Å; L278-W288 HydrophobicContact CD2-CH2 3.63Å; L278-W288 HydrophobicContact CD2-CZ2 3.3Å; L278-W288 HydrophobicContact CD2-CZ3 4.28Å; L278-W288 HydrophobicContact CG-CH2 3.58Å; L278-W288 HydrophobicContact CG-CZ2 3.81Å; L278-W288 HydrophobicContact CG-CZ3 4.15Å
289R67.2Low61.7Low63 Ų63102 Ų10224%0.23852%0.523CS..  trans-118.6140.8170.4-81.9-176156.296.9-4.6111.2Q287 D293 K296 D298Q287-R289 PolarHBondContact O-N 3.05Å; R289-D293 HydrophobicContact CG-CB 4.48Å; R289-K296 PolarHBondContact NH2-O 3.49Å; R289-D298 IonicContact CZ-OD1 3.94Å; R289-D298 VanDerWaalsContact CZ-OD1 3.31Å; R289-D298 IonicContact NH1-OD1 2.69Å; R289-D298 PolarHBondContact NH1-OD1 3.33Å; R289-D298 IonicContact NH2-OD1 2.7Å; R289-D298 PolarHBondContact NH2-OD1 3.37Å
290R71.3Confident61.4Low99 Ų99103.4 Ų103.437%0.37452%0.519SS..  trans-93.8163.9167.9-50-162.7166.177.111.8110.1H281 W292 D293 A294H281-R290 PolarHBondContact NE2-NE 2.86Å; R290-W292 PolarHBondContact O-N 3.34Å; R290-D293 HydrophobicContact CB-CB 4.47Å; R290-D293 VanDerWaalsContact CB-OD2 3.25Å; R290-D293 WeakPolarHBondContact CB-OD2 3.34Å; R290-D293 WeakPolarHBondContact CG-OD2 3.43Å; R290-D293 CarbonylContact O-C 3.6Å; R290-D293 WeakPolarHBondContact O-CA 3.23Å; R290-D293 WeakPolarHBondContact O-CB 3.42Å; R290-D293 PolarHBondContact O-N 3.11Å; R290-A294 PolarHBondContact O-N 3.48Å; R290-A294 VanDerWaalsContact O-N 3.08Å
291E56.3Low61.2Low185 Ų185102.2 Ų102.286%0.86452%0.518SS*.THydrogen-bonded Turntrans-56.5-31.917765-156.5132.600114.1A294E291-A294 WeakPolarHBondContact O-CB 3.23Å
292W65.6Low61.4Low182 Ų182107.5 Ų107.569%0.68954%0.541SS*.THydrogen-bonded Turntrans-79.9-26.617389.3-67.6000113.3R290 A294R290-W292 PolarHBondContact O-N 3.34Å; W292-A294 VanDerWaalsContact C-N 3.26Å; W292-A294 PolarHBondContact O-N 2.89Å
293D70.9Confident60.7Low20 Ų20107.4 Ų107.411%0.10755%0.548CS..G310 helixtrans-78-10.4175-63.7-61.7000112.1R289 R290 Q295 K296R289-D293 HydrophobicContact CG-CB 4.48Å; R290-D293 HydrophobicContact CB-CB 4.47Å; R290-D293 VanDerWaalsContact CB-OD2 3.25Å; R290-D293 WeakPolarHBondContact CB-OD2 3.34Å; R290-D293 WeakPolarHBondContact CG-OD2 3.43Å; R290-D293 CarbonylContact O-C 3.6Å; R290-D293 WeakPolarHBondContact O-CA 3.23Å; R290-D293 WeakPolarHBondContact O-CB 3.42Å; R290-D293 PolarHBondContact O-N 3.11Å; D293-Q295 PolarHBondContact O-N 2.99Å; D293-K296 WeakPolarHBondContact O-CB 3.32Å; D293-K296 PolarHBondContact O-N 2.97Å
294A64.4Low59.4Low72 Ų72109.6 Ų109.660%0.59556%0.56SS**G310 helixtrans-62.6-24.4177.100000113.4R290 E291 W292 K296R290-A294 PolarHBondContact O-N 3.48Å; R290-A294 VanDerWaalsContact O-N 3.08Å; E291-A294 WeakPolarHBondContact O-CB 3.23Å; W292-A294 VanDerWaalsContact C-N 3.26Å; W292-A294 PolarHBondContact O-N 2.89Å; A294-K296 VanDerWaalsContact C-N 3.34Å
295Q59.5Low59Low179 Ų179109.2 Ų109.284%0.83655%0.547SS*.G310 helixtrans-85.7-4.8174.5-62.8-178.514.500113.1D293 T297D293-Q295 PolarHBondContact O-N 2.99Å; Q295-T297 PolarHBondContact O-N 3.34Å
296K55.8Low58Low92 Ų92111.9 Ų111.940%0.455%0.551SS.*SBendtrans-85.197.9169.7-77-70.3-160.8161.40109.5R289 D293 A294 M300 F301R289-K296 PolarHBondContact NH2-O 3.49Å; D293-K296 WeakPolarHBondContact O-CB 3.32Å; D293-K296 PolarHBondContact O-N 2.97Å; A294-K296 VanDerWaalsContact C-N 3.34Å; K296-M300 HydrophobicContact CD-CE 3.58Å; K296-M300 HydrophobicContact CD-SD 3.85Å; K296-M300 PolarHBondContact NZ-SD 3.37Å; K296-M300 VanDerWaalsContact NZ-SD 3.41Å; K296-F301 HydrophobicContact CB-CD2 4.47Å; K296-F301 HydrophobicContact CB-CE2 3.78Å; K296-F301 HydrophobicContact CG-CE2 4.39Å
297T52.6Low57Low87 Ų87116.2 Ų116.253%0.53457%0.569SS.*  trans-46.9143.1174.452.70000111.7Q295 S299 M300Q295-T297 PolarHBondContact O-N 3.34Å; T297-S299 PolarHBondContact O-N 3.25Å; T297-M300 PolarHBondContact O-N 2.69Å; T297-M300 VanDerWaalsContact OG1-CE 3.23Å; T297-M300 WeakPolarHBondContact OG1-CE 3.49Å
298D51.5Low55.9Low51 Ų51116.1 Ų116.127%0.27358%0.584SS.*G310 helixtrans-63.6-26-174-152.248000113.4R289 M300 F301 K302R289-D298 IonicContact CZ-OD1 3.94Å; R289-D298 VanDerWaalsContact CZ-OD1 3.31Å; R289-D298 IonicContact NH1-OD1 2.69Å; R289-D298 PolarHBondContact NH1-OD1 3.33Å; R289-D298 IonicContact NH2-OD1 2.7Å; R289-D298 PolarHBondContact NH2-OD1 3.37Å; D298-M300 PolarHBondContact O-N 2.8Å; D298-M300 VanDerWaalsContact O-N 3.11Å; D298-F301 PolarHBondContact O-N 3.05Å; D298-K302 PolarHBondContact O-N 3.09Å; D298-K302 VanDerWaalsContact O-N 3.11Å; D298-K302 WeakPolarHBondContact OD2-CE 3.41Å; D298-K302 IonicContact OD2-NZ 3.17Å; D298-K302 PolarHBondContact OD2-NZ 3.28Å
299S62.7Low54.7Low103 Ų103112.7 Ų112.772%0.7259%0.588SS**G310 helixtrans-58.2-14.6169.2-172.90000115.3T297T297-S299 PolarHBondContact O-N 3.25Å
300M60.5Low53.4Low98 Ų98118.6 Ų118.648%0.48362%0.619SS.*G310 helixtrans-96.3-3.2173-82.6-174.8-81.700113.9K296 T297 D298K296-M300 HydrophobicContact CD-CE 3.58Å; K296-M300 HydrophobicContact CD-SD 3.85Å; K296-M300 PolarHBondContact NZ-SD 3.37Å; K296-M300 VanDerWaalsContact NZ-SD 3.41Å; T297-M300 PolarHBondContact O-N 2.69Å; T297-M300 VanDerWaalsContact OG1-CE 3.23Å; T297-M300 WeakPolarHBondContact OG1-CE 3.49Å; D298-M300 PolarHBondContact O-N 2.8Å; D298-M300 VanDerWaalsContact O-N 3.11Å
301F59.7Low51.7Low130 Ų130117 Ų11757%0.5763%0.632SS**THydrogen-bonded Turntrans-115-11.6174.4-78.3-81.2000112.9K296 D298 E303K296-F301 HydrophobicContact CB-CD2 4.47Å; K296-F301 HydrophobicContact CB-CE2 3.78Å; K296-F301 HydrophobicContact CG-CE2 4.39Å; D298-F301 PolarHBondContact O-N 3.05Å; F301-E303 VanDerWaalsContact C-N 3.32Å; F301-E303 PolarHBondContact O-N 3.11Å
302K58.2Low50.6Low147 Ų147114.9 Ų114.964%0.63963%0.632SS**  trans-91.856.3169.6-73168.3164.7157.10111.3D298D298-K302 PolarHBondContact O-N 3.09Å; D298-K302 VanDerWaalsContact O-N 3.11Å; D298-K302 WeakPolarHBondContact OD2-CE 3.41Å; D298-K302 IonicContact OD2-NZ 3.17Å; D298-K302 PolarHBondContact OD2-NZ 3.28Å
303E41.8Very low48.9Very low178 Ų178112.2 Ų112.283%0.83264%0.636SS**  trans-82.3117.6152.8-76-170.9146.400106.6F301F301-E303 VanDerWaalsContact C-N 3.32Å; F301-E303 PolarHBondContact O-N 3.11Å
304D33.8Very low47.5Very low115 Ų115116.2 Ų116.262%0.61567%0.672SS**  trans-68.8136-168.4-101.5-45.6000113.2F306 V307D304-F306 HydrophobicContact CB-CB 4.06Å; D304-F306 PolarHBondContact O-N 3.3Å; D304-V307 HydrophobicContact CB-CG2 4.43Å
305P51Low46.1Very low109 Ų109121.3 Ų121.371%0.70868%0.684SS**G310 helixtrans-58.4-23.2163.9-21.533.2000112.8V307 A308P305-V307 PolarHBondContact O-N 3.2Å; P305-A308 WeakPolarHBondContact O-CB 3.43Å; P305-A308 PolarHBondContact O-N 3.22Å
306F35.1Very low44.9Very low159 Ų159121.5 Ų121.570%0.69768%0.684SS**G310 helixtrans-63.5-35-174.1-162.1-108.4000113.7D304 A308 A309D304-F306 HydrophobicContact CB-CB 4.06Å; D304-F306 PolarHBondContact O-N 3.3Å; F306-A308 PolarHBondContact O-N 3.41Å; F306-A309 PolarHBondContact O-N 3.31Å
307V43.8Very low44Very low127 Ų127120.9 Ų120.977%0.7770%0.704SS**G310 helixtrans-73.8-7.9-179.4-171.70000112.4D304 P305D304-V307 HydrophobicContact CB-CG2 4.43Å; P305-V307 PolarHBondContact O-N 3.2Å
308A44.7Very low43.5Very low90 Ų90119.9 Ų119.974%0.74471%0.711SS**G310 helixtrans-91.6-6.6176.200000114.3P305 F306P305-A308 WeakPolarHBondContact O-CB 3.43Å; P305-A308 PolarHBondContact O-N 3.22Å; F306-A308 PolarHBondContact O-N 3.41Å
309A41.8Very low43.4Very low81 Ų81129.5 Ų129.567%0.66974%0.744SS**THydrogen-bonded Turntrans-98.6-42.7-169.300000114.8F306 G311F306-A309 PolarHBondContact O-N 3.31Å; A309-G311 PolarHBondContact O-N 3.43Å
310E41.2Very low42.8Very low187 Ų187135.5 Ų135.587%0.87475%0.75SS**SBendtrans-95.883.6176.9-68.2-155.5124.800111.2
311G33.9Very low42Very low64 Ų64135.9 Ų135.966%0.6675%0.754SS**  trans-138.616.9-164.900000117.6A309A309-G311 PolarHBondContact O-N 3.43Å
312V33.8Very low41.7Very low141 Ų141136.3 Ų136.386%0.85576%0.762SS**  trans72.9130175.1-174.30000116.9
313T30.9Very low41.7Very low126 Ų126134.5 Ų134.577%0.77377%0.768SS**  trans-45.5149.4171.649.90000116.1E315T313-E315 PolarHBondContact O-N 2.78Å
314A40Very low42.4Very low105 Ų105134.1 Ų134.187%0.86876%0.764SS**  trans-83.8109.1168.800000112.5
315E35.8Very low43.8Very low179 Ų179136.3 Ų136.384%0.83676%0.764SS**  trans-156.2167.6150.5-120.2-57.7128.800109.3T313T313-E315 PolarHBondContact O-N 2.78Å
316E34.3Very low44.2Very low182 Ų182136 Ų13685%0.8576%0.762SS**  trans51.1104.3-178-152.8167.7-169.800117.1
317G37.9Very low45.4Very low80 Ų80134.6 Ų134.683%0.82577%0.768SS**  trans-94.5153.9-178.500000114.6
318G42Very low46.6Very low65 Ų65137.4 Ų137.467%0.6777%0.765SS**  trans165.675.9170.800000119R320G318-R320 PolarHBondContact O-N 2.82Å
319R48.9Very low47.6Very low254 Ų254135.7 Ų135.796%0.95876%0.756SS**  trans40.670.5154.6-59.9-174.4179.4-154.12.4117
320R49Very low49Very low229 Ų229136.9 Ų136.986%0.86476%0.757SS**  trans-146.1169161.6-103.4153.4-155.4-133.64.1111.7G318G318-R320 PolarHBondContact O-N 2.82Å
321D44.3Very low50.1Low106 Ų106132 Ų13257%0.56774%0.74SS**  trans70.125.7168.4-59.5-52.9000121S323D321-S323 PolarHBondContact O-N 3.36Å
322D54.4Low50.8Low138 Ų138136.5 Ų136.574%0.73874%0.741SS**G310 helixtrans-62.8-17.6147.7-119.1-36.5000111.5K324D322-K324 PolarHBondContact O-N 2.77Å
323S56.4Low52.2Low109 Ų109132.6 Ų132.676%0.76272%0.724SS**G310 helixtrans-68.9-9.1-176.2-48.20000115.8D321D321-S323 PolarHBondContact O-N 3.36Å
324K56.7Low54Low171 Ų171130.6 Ų130.674%0.74371%0.709SS**G310 helixtrans-102.5-6-175.7-71-72.2-172.3167.50113.9D322D322-K324 PolarHBondContact O-N 2.77Å
325R63.1Low55.1Low161 Ų161132.3 Ų132.361%0.60870%0.697SS**SBendtrans-85.1134.3-178.2-148.6170-163152.38.7110.1
326P59.7Low56.4Low102 Ų102129.4 Ų129.466%0.66269%0.686SS**PPolyproline II helixtrans-59.2145.3174.325-34.2000110.1R328P326-R328 PolarHBondContact O-N 2.9Å
327P61.3Low57.6Low129 Ų129123.8 Ų123.884%0.83867%0.667SS**PPolyproline II helixtrans-59.1118.1-177.424.2-33.5000109.4G329P327-G329 PolarHBondContact O-N 3.32Å; P327-G329 VanDerWaalsContact O-N 3.16Å
328R68.1Low58.3Low187 Ų187127 Ų12771%0.70666%0.661SS**PPolyproline II helixtrans-58.3122.7177.5-66.8-177.8-177.4-102.810.8108.1P326P326-R328 PolarHBondContact O-N 2.9Å
329G65.8Low58.3Low53 Ų53127.5 Ų127.555%0.54667%0.666SS.*PPolyproline II helixtrans-53.6146.4176.200000111.1P327 T331P327-G329 PolarHBondContact O-N 3.32Å; P327-G329 VanDerWaalsContact O-N 3.16Å; G329-T331 PolarHBondContact O-N 2.78Å
330P71.1Confident58.5Low107 Ų107125.9 Ų125.970%0.69566%0.66SS**  trans-58.7105.3-167.222.5-34000111D334P330-D334 HydrophobicContact CB-CB 4.27Å; P330-D334 WeakPolarHBondContact CB-OD2 3.39Å
331T65.6Low58Low83 Ų83120.5 Ų120.551%0.50966%0.658SS.*  trans-70.1165.7179690000110.4G329 A333 D334 F335G329-T331 PolarHBondContact O-N 2.78Å; T331-A333 PolarHBondContact O-N 3.47Å; T331-D334 WeakPolarHBondContact O-CB 3.4Å; T331-D334 PolarHBondContact O-N 2.81Å; T331-F335 PolarHBondContact O-N 3.06Å
332F48.1Very low58.5Low159 Ų159124.9 Ų124.970%0.69768%0.675SS**Hα-helixtrans-55.2-27.1-179.9-173.3-106.7000113.8L336F332-L336 HydrophobicContact CD1-CD1 4.1Å; F332-L336 HydrophobicContact CE1-CD1 3.83Å; F332-L336 HydrophobicContact CZ-CD1 4.47Å; F332-L336 WeakPolarHBondContact O-CG 3.18Å; F332-L336 PolarHBondContact O-N 2.92Å
333A62.6Low57.6Low60 Ų60121.1 Ų121.150%0.49667%0.668SS.*Hα-helixtrans-68.8-32.4173.700000113.4T331 L336 S337T331-A333 PolarHBondContact O-N 3.47Å; A333-L336 PolarHBondContact O-N 3.25Å; A333-S337 PolarHBondContact O-N 2.86Å; A333-S337 VanDerWaalsContact O-N 3.13Å; A333-S337 PolarHBondContact O-OG 2.98Å
334D68.9Low57.1Low84 Ų84122.2 Ų122.245%0.44967%0.673SS.*Hα-helixtrans-74.6-38.6-178.6-160.532.6000111P330 T331 L336 S337 Q338P330-D334 HydrophobicContact CB-CB 4.27Å; P330-D334 WeakPolarHBondContact CB-OD2 3.39Å; T331-D334 WeakPolarHBondContact O-CB 3.4Å; T331-D334 PolarHBondContact O-N 2.81Å; D334-L336 VanDerWaalsContact C-N 3.31Å; D334-L336 PolarHBondContact O-N 2.85Å; D334-S337 WeakPolarHBondContact O-CA 3.26Å; D334-S337 WeakPolarHBondContact O-CB 3.23Å; D334-S337 PolarHBondContact O-N 3.37Å; D334-Q338 PolarHBondContact O-N 3.4Å
335F62.4Low56.2Low140 Ų140126.6 Ų126.661%0.61469%0.685SS**Hα-helixtrans-57.5-40.9169.3-179.3-108.8000112.5T331 S337T331-F335 PolarHBondContact O-N 3.06Å; F335-S337 PolarHBondContact O-N 3.5Å
336L65.1Low55.2Low118 Ų118122 Ų12262%0.61869%0.687SS**Hα-helixtrans-71.9-16.8173.9-66.5173.2000113.5F332 A333 D334F332-L336 HydrophobicContact CD1-CD1 4.1Å; F332-L336 HydrophobicContact CE1-CD1 3.83Å; F332-L336 HydrophobicContact CZ-CD1 4.47Å; F332-L336 WeakPolarHBondContact O-CG 3.18Å; F332-L336 PolarHBondContact O-N 2.92Å; A333-L336 PolarHBondContact O-N 3.25Å; D334-L336 VanDerWaalsContact C-N 3.31Å; D334-L336 PolarHBondContact O-N 2.85Å
337S59.3Low53.9Low64 Ų64123.6 Ų123.645%0.44869%0.69SS.*Hα-helixtrans-86.7-17.2-177.6-630000113.4A333 D334 F335 G339 R340A333-S337 PolarHBondContact O-N 2.86Å; A333-S337 VanDerWaalsContact O-N 3.13Å; A333-S337 PolarHBondContact O-OG 2.98Å; D334-S337 WeakPolarHBondContact O-CA 3.26Å; D334-S337 WeakPolarHBondContact O-CB 3.23Å; D334-S337 PolarHBondContact O-N 3.37Å; F335-S337 PolarHBondContact O-N 3.5Å; S337-G339 PolarHBondContact O-N 2.82Å; S337-R340 PolarHBondContact O-N 3.49Å
338Q51.2Low53.1Low147 Ų147129 Ų12969%0.68769%0.694SS**THydrogen-bonded Turntrans-60.1-18.1179.1-63-173.11.300114.2D334 R340D334-Q338 PolarHBondContact O-N 3.4Å; Q338-R340 PolarHBondContact O-N 3.43Å
339G43.1Very low51.5Low76 Ų76124.8 Ų124.878%0.78469%0.693SS**THydrogen-bonded Turntrans-75.5-2.717100000115.3S337S337-G339 PolarHBondContact O-N 2.82Å
340R52.5Low50.6Low220 Ų220134.4 Ų134.483%0.8371%0.713SS**SBendtrans-139.382178.8-69.5-176.8179-116.21.7110.3S337 Q338 Q342S337-R340 PolarHBondContact O-N 3.49Å; Q338-R340 PolarHBondContact O-N 3.43Å; R340-Q342 PolarHBondContact O-N 3.46Å
341S39.5Very low48.7Very low117 Ų117133.1 Ų133.182%0.81872%0.719SS**  trans-57.6135.7175.451.70000111.9
342Q53.5Low47.7Very low198 Ų198141.6 Ų141.693%0.92574%0.742SS**  trans-70.4159.4173.6-63.5-168.415.900112.3R340R340-Q342 PolarHBondContact O-N 3.46Å
343G34.9Very low47Very low58 Ų58137.8 Ų137.860%0.59875%0.747SS**  trans-166.2140165.300000111
344P46Very low46Very low132 Ų132147.4 Ų147.486%0.85777%0.771SS**  trans-65.1135.4174.728.5-33.9000109.6G346P344-G346 PolarHBondContact O-N 3.03Å
345R38Very low44.3Very low264 Ų264146.8 Ų146.8100%0.99678%0.784SS**  trans-78.965.6-179.9-73.7-173.7172.8-179.2-0.5112
346G42.4Very low43.2Very low64 Ų64147.6 Ų147.666%0.6679%0.79SS**  trans-96.5123.6166.700000111.5P344P344-G346 PolarHBondContact O-N 3.03Å
347D32.2Very low41.8Very low135 Ų135151.5 Ų151.572%0.72280%0.796SS**  trans62153.7170.9-160.726.7000119.2S349D347-S349 WeakPolarHBondContact OD2-CB 3.26Å; D347-S349 PolarHBondContact OD2-OG 2.81Å
348R45.1Very low40.6Very low244 Ų244156.3 Ų156.392%0.92181%0.812SS**  trans-130.763176.7-75.2179.1168.8155.6-6.7110.8
349S34.9Very low40.2Very low98 Ų98154.5 Ų154.569%0.68582%0.815SS**  trans-94.2143176.9-73.40000113.1D347D347-S349 WeakPolarHBondContact OD2-CB 3.26Å; D347-S349 PolarHBondContact OD2-OG 2.81Å
350R45.2Very low39.8Very low255 Ų255160.9 Ų160.996%0.96282%0.817SS**  trans-87.8138.7-170.7-61.5169177154.9-3.3111.8
351G33.1Very low39.6Very low80 Ų80154.5 Ų154.583%0.82581%0.806SS**  trans-158.8128.8167.300000113
352R42.8Very low39.5Very low261 Ų261154.2 Ų154.299%0.98580%0.804SS**  trans-100.6136.1166.5-73.7-167-176.1-82.19109.3
353G33.5Very low38.6Very low79 Ų79153 Ų15381%0.81480%0.798SS**  trans-141.2147.5167.300000110.7
354R43.1Very low38.7Very low262 Ų262154.9 Ų154.999%0.98980%0.802SS**  trans-117.4135.9174.6-76.1-176.4177.2-103.411.6110.2
355G33.1Very low38.4Very low71 Ų71157.4 Ų157.473%0.73281%0.807SS**  trans-169119.6160.100000107.5
356Q39.2Very low38.3Very low156 Ų156155.1 Ų155.173%0.72980%0.798SS**  74.489.663.9-75.5-75.2-10.600114
357R34.8Very low37.8Very low201 Ų201158.1 Ų158.176%0.75880%0.804SS**  trans70.4164.4154.6-59.7172.2-170.6-95.81.8114.7
358Q35.2Very low37.7Very low165 Ų165163.1 Ų163.177%0.77181%0.812SS**  cis-118.4164.56.9-75-75.116.500113.1
359S41.6Very low37.2Very low109 Ų109155.8 Ų155.876%0.76280%0.804SS**  trans-120.9117.9172.855.50000110.8
360Y34.6Very low37.1Very low210 Ų210158.3 Ų158.382%0.82481%0.81SS**  trans-143.3105.7174.3-151.2-104.9000107.6
361S48Very low36.3Very low85 Ų85157.6 Ų157.659%0.59481%0.807SS**  77.143.280.3-161.80000115H363S361-H363 PolarHBondContact O-N 3.39Å
362S38.8Very low36.3Very low111 Ų111158 Ų15878%0.77680%0.797SS**  trans-81.344.2178.1-45.50000115
363H34.5Very low35.8Very low174 Ų174154 Ų15481%0.80679%0.79SS**  trans-144.8139.8171.4-65.690.8000108.2S361S361-H363 PolarHBondContact O-N 3.39Å
364S36.6Very low36.3Very low96 Ų96155.6 Ų155.667%0.67179%0.785SS**  cis-158.8136.20.452.60000111.1R366S364-R366 PolarHBondContact O-N 3.48Å
365I39.3Very low36.2Very low186 Ų186148.7 Ų148.795%0.95477%0.774SS**  trans-81.394.8169.842.1171.7000110.9
366R36Very low35.9Very low215 Ų215150.7 Ų150.781%0.81178%0.777SS**  trans-129.488.4-178.9-167.3174.7-173.6169.12.5112.1S364S364-R366 PolarHBondContact O-N 3.48Å
367T33.2Very low35.6Very low128 Ų128152.6 Ų152.679%0.78579%0.786SS**  trans46.696.6154.656.60000119
368R30.2Very low35.3Very low240 Ų240146 Ų14691%0.90678%0.781SS**  trans-156.1132.5140.3-108.3175.1170.9-174.3-5.3106.9
369A34.1Very low35Very low89 Ų89143.8 Ų143.874%0.73678%0.784SS**  cis75.5100.231.200000113.9
370D31.7Very low34.3Very low152 Ų152145.5 Ų145.581%0.81378%0.784SS**  trans52.1110.4150.7-171.432.6000120.2
371R29.7Very low34.1Very low239 Ų239142.9 Ų142.990%0.90278%0.784SS**  -164.1155.3120.2-145.5167.6179.4175.1-1.7112.4
372S31.9Very low33Very low88 Ų88145.2 Ų145.262%0.61579%0.794SS**  trans-115.7153.3-175.246.40000115.2
373E32Very low33.5Very low179 Ų179145.7 Ų145.784%0.83680%0.795SS**  trans68.9167.7148.9-76.9180-156.900120.3
374P44.5Very low33Very low111 Ų111142.2 Ų142.272%0.72179%0.79SS**  -136.4-138.8-66.940.3-19.4000111
375P41.3Very low32.4Very low117 Ų117143.2 Ų143.276%0.7680%0.797SS**  -117.3170-64.432.3-15.1000114.4
376S27.5Very low31.7Very low113 Ų113137.4 Ų137.479%0.7978%0.783SS**  trans-168.5126.6140.241.70000113.7
377E31.7Very low31.1Very low196 Ų196133.2 Ų133.292%0.91678%0.782SS**  trans7.3146.5136.6-58.2173.915800120.2
378G28.4Very low30.8Very low63 Ų63138.2 Ų138.265%0.64979%0.786SS**  cis172.5-163.10.500000113.8
379S30.2Very low30.5Very low119 Ų119132 Ų13283%0.83278%0.779SS**  trans71.8144.4177.576.50000118.4
380D26.6Very low30.2Very low144 Ų144139.2 Ų139.277%0.7779%0.787SS**  cis-163.1171.8-36.4-139.4-38.4000111.9
381L30.7Very low30.1Very low156 Ų156138.3 Ų138.382%0.81778%0.776SS**  trans72.5132.4165.7-53.1-172.2000120.7
382T25Very low30.1Very low133 Ų133134.3 Ų134.382%0.81677%0.768SS**  trans-139.2-162.3165.958.70000106.7
383P49Very low29.9Very low121 Ų121137.6 Ų137.679%0.78677%0.773SS**  -124.9171-56.430-12.3000113.3
384S22.5Very low29.9Very low102 Ų102137.8 Ų137.871%0.71378%0.775SS**  trans-164.8130.7150-1760000108.3
385S24.1Very low29.3Very low117 Ų117142 Ų14282%0.81878%0.784SS**  cis93136.834.6980000114.7
386G25.3Very low28.8Very low63 Ų63144.8 Ų144.865%0.64979%0.787SS**  trans109.192.2-175.100000112.8
387T23.1Very low29.6Very low128 Ų128144 Ų14479%0.78578%0.78SS**  84.614351.775.90000116.2
388R26.9Very low29.3Very low233 Ų233144.6 Ų144.688%0.87978%0.779SS**  trans84.6148.8170.6-54.9174.7178.9-171.1-2.1117.4
389S25.2Very low29.4Very low109 Ų109145.7 Ų145.776%0.76278%0.783SS**  cis-177.7165.8-22.1-910000110.2
390R26.4Very low29.4Very low240 Ų240149.4 Ų149.491%0.90679%0.787SS**  trans84.9143.8151.4-158.6-178.4-153.9161.56.8117.8
391K29.3Very low29.3Very low133 Ų133148.5 Ų148.558%0.57879%0.787SS**  cis-173.3118.2-27.8176.8-145.2169.3-148.50110.4E393K391-E393 IonicContact NZ-OE1 3.48Å; K391-E393 PolarHBondContact NZ-OE1 3.22Å; K391-E393 VanDerWaalsContact NZ-OE1 3.15Å
392Q30.3Very low29.3Very low155 Ų155150 Ų15072%0.72479%0.79SS**  trans54.3176.5153.9-58.8179.6-95.600116.9
393E28.9Very low29.6Very low157 Ų157152 Ų15273%0.73479%0.789SS**  cis-133.4174.815.2-73.1168.7169.100112.9K391K391-E393 IonicContact NZ-OE1 3.48Å; K391-E393 PolarHBondContact NZ-OE1 3.22Å; K391-E393 VanDerWaalsContact NZ-OE1 3.15Å
394E32.3Very low29Very low184 Ų184151.9 Ų151.986%0.8679%0.789SS**  trans-104.7153.3-178.1-59163.211400110.8
395E31Very low29.4Very low198 Ų198155.4 Ų155.493%0.92579%0.791SS**  trans-165.1151.3136.4-124.3-179.3-178.600114.1
396E30.6Very low29.6Very low176 Ų176155.2 Ų155.282%0.82279%0.785SS**  trans-156.2170.4171.3-133-162.3-140.100105.3
397P45Very low29.8Very low98 Ų98161.6 Ų161.664%0.63680%0.798SS**  cis-133.4-179-13.741.9-27.1000113.4
398K25.7Very low30.1Very low207 Ų207162.8 Ų162.890%0.979%0.794SS**  -174.7167.3126.7-109.3-173.6174.9-165.10113.6
399A29.4Very low30.1Very low87 Ų87159 Ų15972%0.71979%0.785SS**  trans-123.4162.7178.900000111.1
400E29.3Very low30.2Very low196 Ų196159.3 Ų159.392%0.91678%0.777SS**  trans-158.9-177.4146.9-128.4150.9-14600111.7
401T24.5Very low30.4Very low126 Ų126155.6 Ų155.677%0.77377%0.77SS**  trans-124.2161-154.5-39.30000111.8
402E31.1Very low30.3Very low188 Ų188156.5 Ų156.588%0.87978%0.782SS**  160.6153.4128.8-86.4178.2-178.300114.5
403E32.5Very low30.5Very low173 Ų173158.3 Ų158.381%0.80879%0.79SS**  trans-100.6172.8168.8-59.4-173.2159.100110.5
404P36.1Very low30.6Very low120 Ų120155.7 Ų155.778%0.77980%0.795SS**  -150.9149.19837.1-19.8000117.8
405K30.4Very low30.7Very low176 Ų176150.3 Ų150.377%0.76579%0.789SS**  13.3149.8118-101.5-168.8152.8-168.60119.2
406V27.7Very low30.7Very low113 Ų113148.5 Ų148.569%0.68579%0.786SS**  cis-157.1166.8-3.2-138.50000107.7
407E29.2Very low30.8Very low197 Ų197147 Ų14792%0.92178%0.784SS**  -166.7167.2117.1-114.1176.3-170.900113.2
408E30.7Very low30.2Very low152 Ų152148 Ų14871%0.7178%0.783SS**  trans-139.4145.2-166.9176.8-173.8174.600110.1N410E408-N410 PolarHBondContact OE1-ND2 3.03Å
409K26.2Very low30.7Very low155 Ų155144 Ų14467%0.67477%0.772SS**  trans-151.6128.2158.7-162.5160.3-175-75.20112.1E411K409-E411 IonicContact NZ-OE1 2.66Å; K409-E411 PolarHBondContact NZ-OE1 2.98Å; K409-E411 IonicContact NZ-OE2 3.31Å; K409-E411 PolarHBondContact NZ-OE2 2.87Å
410N27.1Very low30.9Very low114 Ų114145.9 Ų145.961%0.6177%0.766SS**  trans-103.6157.2168.9-53.6-78.1000109.1E408E408-N410 PolarHBondContact OE1-ND2 3.03Å
411E31Very low31.3Very low163 Ų163146.1 Ų146.176%0.76276%0.758SS**  trans-163.6129.8160.3-116.7147.2-14900109.5K409K409-E411 IonicContact NZ-OE1 2.66Å; K409-E411 PolarHBondContact NZ-OE1 2.98Å; K409-E411 IonicContact NZ-OE2 3.31Å; K409-E411 PolarHBondContact NZ-OE2 2.87Å
412D27.1Very low31.8Very low152 Ų152148.1 Ų148.181%0.81376%0.759SS**  trans-95.2152.8176.3-56.3-100.5000110.8
413E34.5Very low32.3Very low193 Ų193145.2 Ų145.290%0.90275%0.75SS**  174.5153.9127.6-100.5-166.9137.500113.9
414A31.9Very low32.2Very low101 Ų101141.8 Ų141.884%0.83575%0.751SS**  trans55.6155.4155.700000121.5
415G33Very low32.3Very low72 Ų72141 Ų14174%0.74275%0.748SS**  cis127.667.5-8.900000116
416D32.3Very low32.4Very low160 Ų160141.7 Ų141.786%0.85675%0.754SS**  trans-159.3125161.3-112.85.6000103.1
417D31.6Very low32.6Very low144 Ų144144 Ų14477%0.7776%0.757SS**  cis86.4150.932.8-146.17.6000114.4
418D33.9Very low32.9Very low118 Ų118142.4 Ų142.463%0.63175%0.75SS**  trans59.4112.4167-92-14000120.1
419N35.7Very low33Very low123 Ų123143.2 Ų143.266%0.65875%0.754SS**  77.5159.6111.3-74.62.6000120.4
420E33.1Very low33.3Very low127 Ų127140 Ų14059%0.59376%0.756SS**  cis-176.1162.9-1.7147.6-179.7-176.300110.9
421W36.9Very low33.4Very low201 Ų201138.1 Ų138.176%0.76176%0.763SS**  trans61.1163.6176.7-64126.1000117.4
422E35.1Very low33.2Very low168 Ų168136.8 Ų136.879%0.78576%0.761SS**  cis-139.4147.75.2-146.1147.5-132.400112.9
423D42.5Very low33.3Very low128 Ų128137.4 Ų137.468%0.68476%0.757SS**  trans-85.1147.7164.3178.918.9000109.1S425D423-S425 PolarHBondContact OD1-OG 3.35Å
424A29.3Very low33Very low100 Ų100133.9 Ų133.983%0.82675%0.754SS**  trans-140.467.9-176.700000111
425S40Very low32.7Very low104 Ų104136 Ų13673%0.72775%0.751SS**  trans-97110.8167.7-64.30000110.2D423D423-S425 PolarHBondContact OD1-OG 3.35Å
426E31.1Very low32.5Very low191 Ų191137.2 Ų137.289%0.89375%0.748SS**  trans-159.8152.7173.9-167.6178-166.200110
427E31.6Very low32.5Very low161 Ų161136.2 Ų136.275%0.75274%0.738SS**  -165.6131.8-50.8177.8171.3151.600106.7
428E35.5Very low32.5Very low164 Ų164137 Ų13777%0.76674%0.735SS**  trans52.8-175.8165.5-66.4-59142.800117.3
429E33.4Very low32.2Very low169 Ų169139.1 Ų139.179%0.7974%0.739SS**  cis-141.4-170.90.8-148.1-110.7110.500111.7
430A33.1Very low31.9Very low86 Ų86139 Ų13971%0.71174%0.738SS**  trans-99.3-178.6-16300000117
431G28.8Very low31.9Very low75 Ų75141.6 Ų141.677%0.77375%0.747SS**  trans154.677.1172.500000114.2
432D26.9Very low31.5Very low135 Ų135137.3 Ų137.372%0.72275%0.748SS**  108.1-175.378-157.868.1000112.2
433K29.4Very low31.3Very low165 Ų165139 Ų13972%0.71775%0.753SS**  trans-122.8149.5-138.7-56.3170.7-165.774.80116.6
434S27.3Very low30.7Very low120 Ų120137.3 Ų137.384%0.83976%0.757SS**  trans175.1128.813733.60000108.7
435D26.1Very low30.8Very low144 Ų144139.3 Ų139.377%0.7776%0.758SS**  cis92.5150.117.5-158.736.3000117.1
436S29.4Very low30.4Very low98 Ų98139.5 Ų139.569%0.68576%0.759SS**  trans73.5122.5-162.869.50000115.2
437E31.3Very low31.2Very low139 Ų139136.1 Ų136.165%0.6575%0.754SS**  cis71.6145.445.8-64.6-159.9101.200113.6
438K31.4Very low32.1Very low161 Ų161134.2 Ų134.270%0.776%0.756SS**  cis-158.2170.214.3-109138176.7143.80107.8
439K28.9Very low31.6Very low163 Ų163132.3 Ų132.371%0.70976%0.761SS**  cis176.8137.1-25.9169174.7173.1178.40110.4
440D29.7Very low31.5Very low121 Ų121128.9 Ų128.965%0.64776%0.761SS**  trans61.8164.5166.1-77-46.6000118.6
441K31.8Very low31.6Very low180 Ų180133.6 Ų133.678%0.78377%0.766SS**  cis-173.8162.8-28.4-176.8154.4-178.5165.80112.8
442S29.5Very low31.9Very low111 Ų111138.1 Ų138.178%0.77677%0.767SS**  trans79.5159.8164.288.70000117.1
443K30.1Very low31.9Very low203 Ų203143.2 Ų143.288%0.88378%0.776SS**  cis-150.3162.4-2-156173.4179.2178.40109.9
444A30.6Very low32.1Very low93 Ų93142 Ų14277%0.76978%0.776SS**  trans-105149.9-172.700000115.7
445V30.7Very low32.7Very low143 Ų143143.8 Ų143.887%0.86777%0.772SS**  trans-149.8154.3161.4-176.20000110.1
446S31.2Very low33.2Very low107 Ų107143.3 Ų143.375%0.74877%0.765SS**  trans-161.1177.8176.5-63.20000109.1
447P48.7Very low33.5Very low121 Ų121145.5 Ų145.579%0.78676%0.762SS**  cis-124.8-118.1-31.2240.6000113.5
448P50.4Low33.6Very low121 Ų121145.2 Ų145.279%0.78677%0.77SS**  -123.9175.3-100.337.9-22000117
449S25.8Very low33.7Very low124 Ų124142.5 Ų142.587%0.86778%0.778SS**  trans-162.9144.8158.4-171.60000114.4
450A31.2Very low33.6Very low97 Ų97138.4 Ų138.480%0.80278%0.782SS**  trans156.5150.3142.600000113.7
451K34.3Very low33.5Very low184 Ų184144.3 Ų144.380%0.880%0.795SS**  trans-157.8143.7-179.4-108.4178.8167.8-170.90114.4
452Q36.4Very low34.3Very low171 Ų171140.2 Ų140.280%0.79979%0.786SS**  trans64.1143146.8-63.3174-99.700123.4
453R25.2Very low34.5Very low242 Ų242143 Ų14391%0.91378%0.784SS**  trans-155.5175145.6-136.4159.879.7-167.45.8113.3
454L35.2Very low34.5Very low139 Ų139139.5 Ų139.573%0.72877%0.771SS**  trans-87.4151.1-158.5-84.867.8000115.3
455Q39.3Very low34.8Very low158 Ų158143 Ų14374%0.73877%0.772SS**  66.414172.1-68.3173-11400115.4
456E35.4Very low34.7Very low133 Ų133145.6 Ų145.662%0.62177%0.766SS**  cis-158.6-148.52.3-110.4176.2-7600109.8
457K36.4Very low35.1Very low144 Ų144145.7 Ų145.763%0.62676%0.764SS**  cis-168.2170.98.7-146.1168.1-74.4-78.50112.5
458T33Very low34.5Very low134 Ų134146.6 Ų146.682%0.82276%0.758SS**  trans65.4157.1160.358.60000121.7
459A34.3Very low33.6Very low104 Ų104151.1 Ų151.186%0.8676%0.759SS**  cis-169.2151.4-30.200000112.3
460G27.3Very low34.3Very low77 Ų77150.4 Ų150.479%0.79475%0.752SS**  trans170.1158.5175.100000115.8
461R27.2Very low34.6Very low244 Ų244155.3 Ų155.392%0.92176%0.755SS**  trans-170.8-177.1-170.7-118.4-168.3165.7-155.9-4.4110.9
462P47.3Very low34.8Very low94 Ų94153.5 Ų153.561%0.6176%0.759SS**  cis-138.2-175.6-3.443.3-25.2000117.4
463K33.8Very low34.5Very low169 Ų169156.6 Ų156.674%0.73576%0.763SS**  trans65.9141.4151.1-81.3178.8173-100.10119.7
464E31Very low35.2Very low130 Ų130152.8 Ų152.861%0.60776%0.759SS**  cis-170.6-177.7-6.2-131.517243.400107.8
465Q37.2Very low35.7Very low167 Ų167151.1 Ų151.178%0.7876%0.757SS**  cis-135.6-95.75.2-68.6-159.8-19.300115.2
466R27.2Very low35.7Very low198 Ų198149.3 Ų149.375%0.74776%0.759SS**  trans-165.8165.8-158.6-142151.1174.2-126-6109.4
467P40.1Very low36.2Very low108 Ų108149.3 Ų149.370%0.70177%0.77SS**  cis-148.5141.324.540.3-17.4000122.8
468Q37.6Very low36Very low140 Ų140147.2 Ų147.265%0.65478%0.78SS**  trans60.8158143.2-55.6-163.568.800119.2
469R30Very low35.9Very low217 Ų217146.1 Ų146.182%0.81978%0.784SS**  cis-149.9-159.38-148-175178.4-158.4-0.2109
470P41.1Very low35.9Very low109 Ų109146.2 Ų146.271%0.70879%0.785SS**  -83-171.2-87.938.1-25.1000115.6
471K37.9Very low36.2Very low200 Ų200147.3 Ų147.387%0.8779%0.786SS**  trans-134.2147.2170.4-107.879.2171.6175.70109.8
472V37.4Very low36.5Very low145 Ų145140.7 Ų140.788%0.87978%0.784SS**  trans-137.8150.8154.6-177.40000107.6
473R31.6Very low35.9Very low237 Ų237140.6 Ų140.689%0.89479%0.791SS**  trans-135.1134.5-173.3-152.3-178.1-167.3-174.83.1108.6
474I38Very low36Very low161 Ų161140.3 Ų140.383%0.82679%0.792SS**  trans-106.7128.4179.3-58.7175.6000108.9
475P46.2Very low36Very low105 Ų105141.8 Ų141.868%0.68280%0.8SS**PPolyproline II helixtrans-89.2157.1173.835.6-33.6000112.4
476P40.3Very low35.9Very low120 Ų120139.8 Ų139.878%0.77980%0.804SS**PPolyproline II helixtrans-81.2143.9176.133.2-34.2000112.3
477P45.2Very low36.3Very low133 Ų133136.3 Ų136.386%0.86481%0.81SS**PPolyproline II helixtrans-89143.7175.234.4-33.3000112.7
478A31.6Very low36.1Very low100 Ų100134.5 Ų134.583%0.82681%0.811SS**  trans-148.9146.3165.100000110.3
479A32.7Very low36.2Very low110 Ų110138.1 Ų138.191%0.90983%0.825SS**  trans59.8101.8172.100000118.5
480A32.5Very low36.6Very low107 Ų107131.4 Ų131.488%0.88482%0.822SS**  trans-134.6142.9142.200000107.4
481A33.6Very low36.8Very low99 Ų99135.6 Ų135.682%0.81883%0.83SS**  trans-149.5153.5-171.400000112.6
482A34.1Very low37.1Very low106 Ų106131.7 Ų131.788%0.87683%0.825SS**  trans63.3152.4-177.500000115.4
483A36Very low37.6Very low92 Ų92130.6 Ų130.676%0.7682%0.82SS**  cis-164.5177.8-25.300000106.7
484Q34.5Very low38.2Very low162 Ų162123.8 Ų123.876%0.75781%0.809SS**  cis-136.2-1798.5-78.6177.4-112.800111.2
485E31.9Very low38.7Very low162 Ų162121.3 Ų121.376%0.75780%0.804SS**  trans6.8125.3151.1-68.1142.2-110.900121.5
486S34.8Very low38.7Very low125 Ų125123.8 Ų123.887%0.87481%0.81SS**  -174.6-178.2112.243.50000111.1
487S35.5Very low39Very low125 Ų125127.4 Ų127.487%0.87481%0.814SS**  trans-80.9142.1-165.151.90000115.3
488G36.7Very low39Very low70 Ų70125.7 Ų125.772%0.72281%0.805SS**  trans144.9127151.900000117.8
489K38.6Very low39.8Very low216 Ų216129.4 Ų129.494%0.93981%0.81SS**  trans52.3125.6145.6-62.3173.9179.5174.90119.9
490G39.3Very low40.8Very low75 Ų75132.7 Ų132.777%0.77381%0.807SS**  trans94.180146.500000117.7
491K45.2Very low41.3Very low197 Ų197132.5 Ų132.586%0.85780%0.799SS**PPolyproline II helixtrans-81.5136.6141.6-97.175.5174-174.50107.7
492P43.7Very low41.6Very low119 Ų119135.7 Ų135.777%0.77380%0.797SS**PPolyproline II helixtrans-68135163.429.5-32.3000109.2
493P47.4Very low42.8Very low121 Ų121141.5 Ų141.579%0.78680%0.796SS**PPolyproline II helixtrans-69.9151.4173.629.3-33.8000111.3
494S45.1Very low44.3Very low94 Ų94142.4 Ų142.466%0.65779%0.794SS**PPolyproline II helixtrans-66148.4175.6-155.90000110.8L496S494-L496 PolarHBondContact O-N 2.96Å
495P48.7Very low45.2Very low110 Ų110140.5 Ų140.571%0.71479%0.793SS**SBendtrans-77.857-176.433.9-37.9000113.2
496L45.7Very low46.6Very low156 Ų156136.1 Ų136.182%0.81778%0.78SS**  trans-113.993.3167.2-70.1172.8000107.4S494S494-L496 PolarHBondContact O-N 2.96Å
497F45.8Very low48Very low197 Ų197134.6 Ų134.686%0.86476%0.763SS**  trans-77.1150.6178.4-81.5-84.7000111.9
498S46.2Very low49.6Very low96 Ų96137.6 Ų137.667%0.67176%0.755SS**  trans-66.7151.1-168.8-49.80000114.4E500S498-E500 PolarHBondContact O-N 3.48Å
499L48.8Very low51.4Low179 Ų179136.3 Ų136.394%0.93774%0.742SS**THydrogen-bonded Turntrans-70.813.2-176.5-155.767.9000115.2
500E52.1Low52.6Low179 Ų179131.6 Ų131.684%0.83672%0.723SS**THydrogen-bonded Turntrans-129.611.1-160.5-157.359.4-120.500114.1S498S498-E500 PolarHBondContact O-N 3.48Å
501S43.9Very low54Low103 Ų103132.3 Ų132.372%0.7271%0.706SS**  trans-127.86177.362.20000114.4R503S501-R503 PolarHBondContact O-N 2.96Å
502H40.3Very low55.1Low165 Ų165129 Ų12976%0.76470%0.696SS**  trans-80.685.8177.3-146.2-45000110
503R59.4Low56.3Low228 Ų228130.7 Ų130.786%0.8669%0.693SS**PPolyproline II helixtrans-54.4130.9152.5-86.9-171.6171.9-169.7-3.7106.9S501S501-R503 PolarHBondContact O-N 2.96Å
504P65.6Low56.9Low111 Ų111132 Ų13272%0.72169%0.69SS**PPolyproline II helixtrans-59.6141.4163.127.4-32.4000107.6S506P504-S506 PolarHBondContact O-N 3.46Å
505V53.4Low57.1Low122 Ų122133.3 Ų133.374%0.73969%0.686SS**PPolyproline II helixtrans-64.5123.6163.5177.60000105.5D507V505-D507 PolarHBondContact O-N 2.81Å
506S62.3Low57.8Low70 Ų70130.9 Ų130.949%0.4967%0.672SS.*PPolyproline II helixtrans-50.5138.8174.3-63.70000109.4P504 W508P504-S506 PolarHBondContact O-N 3.46Å; S506-W508 PolarHBondContact O-N 3.23Å
507D63.1Low58.4Low94 Ų94130 Ų13050%0.50368%0.675SS.*PPolyproline II helixtrans-62.7130173.5-163.8-32.3000107.5V505 G509 E510 E511V505-D507 PolarHBondContact O-N 2.81Å; D507-G509 PolarHBondContact O-N 2.82Å; D507-G509 VanDerWaalsContact O-N 3.09Å; D507-G509 PolarHBondContact OD1-N 3.39Å; D507-E510 HydrophobicContact CB-CB 4.22Å; D507-E510 WeakPolarHBondContact O-CB 3.44Å; D507-E510 PolarHBondContact O-N 3.24Å; D507-E511 PolarHBondContact O-N 3.33Å; D507-E511 VanDerWaalsContact O-N 3.11Å
508W69.9Low58.3Low188 Ų188130.8 Ų130.871%0.71267%0.672SS**Hα-helixtrans-61.8-19.4178.3-76.174.3000111.2S506 M512S506-W508 PolarHBondContact O-N 3.23Å; W508-M512 VanDerWaalsContact O-CB 3.29Å; W508-M512 WeakPolarHBondContact O-CB 3.22Å; W508-M512 WeakPolarHBondContact O-CG 3.33Å; W508-M512 PolarHBondContact O-N 2.82Å
509G75.5Confident58Low43 Ų43130.7 Ų130.744%0.44367%0.671SS.*Hα-helixtrans-66.8-42.7166.600000113.8D507 M512 E513D507-G509 PolarHBondContact O-N 2.82Å; D507-G509 VanDerWaalsContact O-N 3.09Å; D507-G509 PolarHBondContact OD1-N 3.39Å; G509-M512 PolarHBondContact O-N 3.3Å; G509-E513 WeakPolarHBondContact O-CB 3.3Å; G509-E513 PolarHBondContact O-N 3.25Å
510E63.7Low57.8Low117 Ų117127.8 Ų127.855%0.54767%0.666SS.*Hα-helixtrans-70.7-40.4-178.5-173.3179.7-171.200111.5D507 E513 M514D507-E510 HydrophobicContact CB-CB 4.22Å; D507-E510 WeakPolarHBondContact O-CB 3.44Å; D507-E510 PolarHBondContact O-N 3.24Å; E510-E513 PolarHBondContact O-N 3.13Å; E510-M514 WeakPolarHBondContact O-CB 3.4Å; E510-M514 VanDerWaalsContact O-CG 3.32Å; E510-M514 WeakPolarHBondContact O-CG 3.28Å; E510-M514 PolarHBondContact O-N 2.81Å
511E68.3Low57.5Low90 Ų90127 Ų12742%0.42166%0.664SS.*Hα-helixtrans-63.4-44.5174.2-169166.6-165.900111.2D507 E513 M514 Q515D507-E511 PolarHBondContact O-N 3.33Å; D507-E511 VanDerWaalsContact O-N 3.11Å; E511-E513 PolarHBondContact O-N 2.96Å; E511-M514 PolarHBondContact O-N 3.41Å; E511-Q515 VanDerWaalsContact CG-OE1 3.28Å; E511-Q515 VanDerWaalsContact O-CD 3.25Å; E511-Q515 PolarHBondContact O-N 2.58Å; E511-Q515 PolarHBondContact O-NE2 2.6Å; E511-Q515 PolarHBondContact O-OE1 2.95Å
512M68.3Low57.5Low128 Ų128125.8 Ų125.863%0.63167%0.668SS**Hα-helixtrans-69.8-29.1176.6-70.6-74.8-75.100113.6W508 G509 S516W508-M512 VanDerWaalsContact O-CB 3.29Å; W508-M512 WeakPolarHBondContact O-CB 3.22Å; W508-M512 WeakPolarHBondContact O-CG 3.33Å; W508-M512 PolarHBondContact O-N 2.82Å; G509-M512 PolarHBondContact O-N 3.3Å; M512-S516 WeakPolarHBondContact O-CB 3.13Å; M512-S516 PolarHBondContact O-N 3.41Å; M512-S516 PolarHBondContact O-OG 2.84Å
513E68.6Low57.7Low153 Ų153121.3 Ų121.372%0.71566%0.66SS**Hα-helixtrans-69-45.3171.7-173.6160-146.100110.4G509 E510 E511 Q515 S516G509-E513 WeakPolarHBondContact O-CB 3.3Å; G509-E513 PolarHBondContact O-N 3.25Å; E510-E513 PolarHBondContact O-N 3.13Å; E511-E513 PolarHBondContact O-N 2.96Å; E513-Q515 VanDerWaalsContact C-N 3.29Å; E513-Q515 PolarHBondContact O-N 3.05Å; E513-S516 PolarHBondContact O-N 2.81Å
514M60.4Low56.8Low148 Ų148119.2 Ų119.273%0.72966%0.66SS**Hα-helixtrans-71.4-15177.5-70.2-66.8-69.800114.7E510 E511E510-M514 WeakPolarHBondContact O-CB 3.4Å; E510-M514 VanDerWaalsContact O-CG 3.32Å; E510-M514 WeakPolarHBondContact O-CG 3.28Å; E510-M514 PolarHBondContact O-N 2.81Å; E511-M514 PolarHBondContact O-N 3.41Å
515Q49.5Very low55.4Low123 Ų123119.3 Ų119.358%0.57566%0.663SS**Hα-helixtrans-105.7-2.9172.3-8682.810100113.4E511 E513 P517E511-Q515 VanDerWaalsContact CG-OE1 3.28Å; E511-Q515 VanDerWaalsContact O-CD 3.25Å; E511-Q515 PolarHBondContact O-N 2.58Å; E511-Q515 PolarHBondContact O-NE2 2.6Å; E511-Q515 PolarHBondContact O-OE1 2.95Å; E513-Q515 VanDerWaalsContact C-N 3.29Å; E513-Q515 PolarHBondContact O-N 3.05Å; Q515-P517 WeakPolarHBondContact O-CD 3.49Å
516S62Low54.7Low59 Ų59119.8 Ų119.841%0.41367%0.669SS.*SBendtrans-72.3125175-78.10000110.9M512 E513 R518M512-S516 WeakPolarHBondContact O-CB 3.13Å; M512-S516 PolarHBondContact O-N 3.41Å; M512-S516 PolarHBondContact O-OG 2.84Å; E513-S516 PolarHBondContact O-N 2.81Å; S516-R518 PolarHBondContact O-N 2.65Å
517P58.4Low53.4Low136 Ų136124.3 Ų124.388%0.88369%0.687SS**  trans-76.464.5175.232.1-35.6000111Q515Q515-P517 WeakPolarHBondContact O-CD 3.49Å
518R45Very low52.5Low215 Ų215129.1 Ų129.181%0.81170%0.703SS**  trans-123.187.4179.8-60.9-169.394139.74.7110.6S516S516-R518 PolarHBondContact O-N 2.65Å
519S39.6Very low51.2Low93 Ų93126.3 Ų126.365%0.6571%0.709SS**  trans39.3106.6155.757.50000117.8M521S519-M521 VanDerWaalsContact C-N 3.28Å; S519-M521 PolarHBondContact O-N 2.66Å
520S43.4Very low49.1Very low118 Ų118129.5 Ų129.583%0.82573%0.725SS**  trans-60.595.1149-1770000109.2
521M46.1Very low47.6Very low162 Ų162130 Ų13080%0.79874%0.741SS**  trans-13647.5171.7-77.3-88.571.400108.8S519S519-M521 VanDerWaalsContact C-N 3.28Å; S519-M521 PolarHBondContact O-N 2.66Å
522G45.3Very low46Very low78 Ų78132 Ų13280%0.80476%0.76SS**SBendtrans-135.313.6-176.900000113.9
523A44.8Very low44.4Very low71 Ų71135.1 Ų135.159%0.58777%0.772SS**SBendtrans-142.9137.2176.400000110.5
524E40.3Very low42.6Very low185 Ų185133.5 Ų133.586%0.86478%0.778SS**  trans57.5103.3157.5-60.3179.9172.100118.4P526E524-P526 WeakPolarHBondContact O-CD 3.05Å
525S36.1Very low41.2Very low112 Ų112131.4 Ų131.478%0.78378%0.778SS**  trans-60.1125161.6-61.20000111L527S525-L527 PolarHBondContact O-N 3.47Å; S525-L527 VanDerWaalsContact O-N 3.13Å
526P38.4Very low40.9Very low133 Ų133131 Ų13186%0.86479%0.786SS**  trans-63.3115.8167.2-19.332.5000109.4E524E524-P526 WeakPolarHBondContact O-CD 3.05Å
527L34.7Very low40.1Very low165 Ų165133.7 Ų133.786%0.86480%0.802SS**PPolyproline II helixtrans-67.2156.3178.7-75167.7000111.6S525S525-L527 PolarHBondContact O-N 3.47Å; S525-L527 VanDerWaalsContact O-N 3.13Å
528K43.4Very low38.8Very low195 Ų195136.1 Ų136.185%0.84880%0.802SS**PPolyproline II helixtrans-55.4145176-60.2173.3-178176.30110.5
529P43.8Very low38.1Very low128 Ų128137.4 Ų137.483%0.83181%0.807SS**PPolyproline II helixtrans-61.4144.8174.827.4-34.9000111.1
530S30.3Very low37.9Very low111 Ų111140.7 Ų140.778%0.77681%0.809SS**PPolyproline II helixtrans-72.8143.2177.948.70000112.2
531S32.3Very low37.3Very low126 Ų126142.2 Ų142.288%0.88180%0.803SS**  trans-143.1136.9156.3-75.60000108.2
532T35.6Very low36.6Very low134 Ų134140.5 Ų140.582%0.82281%0.808SS**  trans-90133.9-164.146.10000112.9
533E33.6Very low36.1Very low192 Ų192146 Ų14690%0.89781%0.812SS**  trans37.9102132.4-165.3178131.400118.5
534S31.2Very low35.4Very low120 Ų120150.8 Ų150.884%0.83983%0.828SS**  trans-156.2145.8130.3-154.90000111.3
535S31.7Very low35Very low104 Ų104145 Ų14573%0.72782%0.819SS**  trans-142.3141.1172.3-178.60000106.8
536P43Very low34.8Very low113 Ų113143.3 Ų143.373%0.73482%0.818SS**  -147.9-158.5108.944.5-26.5000111.7
537P44.3Very low34.5Very low117 Ų117142.3 Ų142.376%0.7682%0.821SS**  -134.2-167.6-101.940.1-18000116
538Q32.5Very low34.3Very low187 Ų187138.4 Ų138.487%0.87482%0.821SS**  trans-49.9146.1-172.5-51.7167.2-69.600118.7
539R30.5Very low34Very low241 Ų241137.7 Ų137.791%0.90982%0.82SS**  trans-163.6128.4136.9-95.5153.5-167.7-91.62.1106.1
540K34.3Very low34.3Very low163 Ų163137.5 Ų137.571%0.70982%0.819SS**  cis81.3110.242.7-139.8-172-171.2-81.80113.7
541E31.3Very low34.3Very low149 Ų149135.5 Ų135.570%0.69682%0.817SS**  trans52.1124.1159-67.7149.3160.400121.5
542S30.8Very low34.1Very low127 Ų127133.2 Ų133.289%0.88881%0.813SS**  -170.9167121.6-790000111.5
543Q34.5Very low34.1Very low193 Ų193133.5 Ų133.590%0.90281%0.814SS**  trans-105.4173.7-177.5-61.9174.1-75.900112.8
544D31.8Very low34.7Very low171 Ų171130.4 Ų130.491%0.91481%0.811SS**  trans86.7156.8145.9-159.228.4000119.3
545G30.8Very low34.9Very low65 Ų65129.2 Ų129.267%0.6781%0.808SS**  trans118.261.4156.600000120.4
546G31.1Very low34.9Very low75 Ų75132 Ų13277%0.77382%0.816SS**  trans62.7114.4130.300000123.6
547A33.3Very low34.5Very low113 Ų113135 Ų13593%0.93482%0.82SS**  trans42.8134132.500000122.8
548G30.3Very low34Very low83 Ų83134.8 Ų134.886%0.85682%0.821SS**  trans-178.252.3172.500000117.5
549E36.8Very low34.1Very low179 Ų179130.8 Ų130.884%0.83682%0.819SS**  trans-97.6150.2159.5-117.6-157.1144.300109.1
550P50.4Low35Very low124 Ų124124.8 Ų124.881%0.80581%0.812SS**  -149.8149.675.238.5-19.9000118.2
551G29.9Very low35Very low70 Ų70122.2 Ų122.272%0.72282%0.821SS**  47.5127.3123.800000122.1
552G29.1Very low35.4Very low78 Ų78119.3 Ų119.380%0.80482%0.822SS**  trans17886166.400000115.9
553T35.2Very low35.5Very low139 Ų139119.9 Ų119.985%0.85382%0.816SS**  trans-129.5149153.866.90000107.3
554P46.1Very low35.8Very low127 Ų127116.7 Ų116.783%0.82580%0.803SS**  -138.4-176.77639.5-23.5000115.1
555A34.5Very low36.1Very low95 Ų95115.8 Ų115.879%0.78579%0.794SS**  trans-54.2161.6-17500000118.2
556D32Very low36.6Very low164 Ų164120.5 Ų120.588%0.87780%0.798SS**  -139.7166.6125-148.6-21.1000109.8
557E35.8Very low37.1Very low176 Ų176124.6 Ų124.682%0.82280%0.803SS**  trans-96.1179.8-170.3-70.8-163.999.100115.3
558S33.1Very low37.6Very low111 Ų111124.3 Ų124.378%0.77680%0.8SS**  trans71.9102.1145.5175.90000119.8
559A35.3Very low38.6Very low103 Ų103127 Ų12785%0.85180%0.8SS**  trans-155.4115.4142.300000112.5
560P47.7Very low39.1Very low116 Ų116127.7 Ų127.775%0.75380%0.803SS**  trans-121.5137.3164.535.8-24.1000114
561A34.9Very low38.8Very low109 Ų109131.1 Ų131.190%0.90183%0.83SS**  trans72.3177.215700000119.9
562A39.3Very low39.2Very low87 Ų87134.2 Ų134.272%0.71984%0.836SS**  trans-60.6174.3-16600000115.4
563D34.5Very low39.8Very low140 Ų140137.2 Ų137.275%0.74984%0.837SS**  cis-158.8177.229.3-147.5-0.3000116.7
564I39Very low40Very low126 Ų126137.1 Ų137.165%0.64684%0.837SS**  trans-24.3149.2168.7-74159.2000119.6
565Q39.1Very low39.7Very low152 Ų152137.6 Ų137.671%0.7184%0.837SS**  trans106.5117.3145.7-103.9164.5-50.200123.4
566E41.8Very low40Very low163 Ų163140.3 Ų140.376%0.76284%0.84SS**  98.8147.5125.5-112.2158.2-122.500123.1
567N40.7Very low40.5Very low162 Ų162138.7 Ų138.787%0.86684%0.838SS**  trans-99.6129.1-177-54.3-88.6000109.8
568A43.2Very low40.9Very low106 Ų106136.1 Ų136.188%0.87684%0.839SS**  trans-147126.615400000109.1
569T51.9Low41.5Very low140 Ų140138 Ų13886%0.85984%0.844SS**  trans-97.7127.8177.449.70000110.5
570E47.8Very low42Very low193 Ų193140.9 Ų140.990%0.90284%0.843SS**  trans-156.1134.9150.9-130169-163.200112.1
571S43.8Very low41.5Very low197 Ų197143.2 Ų143.2100%1.37885%0.852SS**  trans62.80-179.2-54.80000117.1

Retrieved 571 of 571 residues in 90.8 ms (Link to these results)