A0A087X6H4_POEFO Loading...

POM121 transmembrane nucleoporin

AlphaFold DB , UniProt , Accession A0A087X6H4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,138 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
1M62.9Low75.9Confident207 Ų207139.5 Ų139.5100%1.0268%0.677SS**  0-64.40-77.5-171.9173.800115.2V3 V4 R5M1-V3 VanDerWaalsContact C-N 3.32Å; M1-V3 PolarHBondContact O-N 3Å; M1-V3 VanDerWaalsContact O-N 3.14Å; M1-V4 WeakPolarHBondContact O-CB 3.35Å; M1-V4 PolarHBondContact O-N 2.82Å; M1-R5 PolarHBondContact O-N 2.72Å
2R70.2Confident77.2Confident225 Ų225132.2 Ų132.285%0.84965%0.65SS**Hα-helixtrans-51.1-41.8-170.6-71-175.7-177.9171.20.6115V4 R5 R6R2-V4 PolarHBondContact O-N 2.75Å; R2-R5 PolarHBondContact O-N 2.88Å; R2-R6 PolarHBondContact O-N 3.49Å; R2-R6 VanDerWaalsContact O-N 3.16Å
3V73.4Confident78.1Confident103 Ų103128.9 Ų128.962%0.62465%0.645SS**Hα-helixtrans-62.1-40.5176.4-178.40000112.3M1 R6 R7M1-V3 VanDerWaalsContact C-N 3.32Å; M1-V3 PolarHBondContact O-N 3Å; M1-V3 VanDerWaalsContact O-N 3.14Å; V3-R6 PolarHBondContact O-N 3.1Å; V3-R7 PolarHBondContact O-N 3.13Å
4V73.4Confident78.9Confident101 Ų101135.1 Ų135.161%0.61266%0.657SS**Hα-helixtrans-65.3-41.6178-176.80000110.7M1 R2 R6 R7 A8M1-V4 WeakPolarHBondContact O-CB 3.35Å; M1-V4 PolarHBondContact O-N 2.82Å; R2-V4 PolarHBondContact O-N 2.75Å; V4-R6 PolarHBondContact O-N 3.32Å; V4-R7 PolarHBondContact O-N 3.38Å; V4-A8 VanDerWaalsContact O-CB 3.3Å; V4-A8 WeakPolarHBondContact O-CB 3.44Å; V4-A8 PolarHBondContact O-N 3.35Å
5R75.4Confident79.7Confident204 Ų204132.7 Ų132.777%0.7764%0.644SS**Hα-helixtrans-59.5-44173-81.8-168.8177.2180-0.4112.1M1 R2 R7 A8 T9M1-R5 PolarHBondContact O-N 2.72Å; R2-R5 PolarHBondContact O-N 2.88Å; R5-R7 PolarHBondContact O-N 3.43Å; R5-A8 PolarHBondContact O-N 2.88Å; R5-T9 PolarHBondContact O-N 3.26Å; R5-T9 PolarHBondContact O-OG1 3.18Å
6R79.6Confident80.4Confident202 Ų202129.5 Ų129.576%0.76263%0.626SS**Hα-helixtrans-64.6-36.2177.9-73.4-173.3174.4-176.8-1.3113.3R2 V3 V4 T9 A10R2-R6 PolarHBondContact O-N 3.49Å; R2-R6 VanDerWaalsContact O-N 3.16Å; V3-R6 PolarHBondContact O-N 3.1Å; V4-R6 PolarHBondContact O-N 3.32Å; R6-T9 WeakPolarHBondContact CA-OG1 3.38Å; R6-T9 PolarHBondContact O-OG1 3.44Å; R6-A10 PolarHBondContact O-N 2.72Å
7R74.1Confident81.1Confident175 Ų175128.8 Ų128.866%0.6662%0.621SS**Hα-helixtrans-71.1-42.9172.4-72-172.3175.5-174.4-1.8111.7V3 V4 R5 T9 A10 M11V3-R7 PolarHBondContact O-N 3.13Å; V4-R7 PolarHBondContact O-N 3.38Å; R5-R7 PolarHBondContact O-N 3.43Å; R7-T9 VanDerWaalsContact C-N 3.3Å; R7-T9 PolarHBondContact O-N 3.44Å; R7-A10 PolarHBondContact O-N 2.69Å; R7-A10 VanDerWaalsContact O-N 3.08Å; R7-M11 WeakPolarHBondContact O-CG 3.4Å; R7-M11 PolarHBondContact O-N 2.97Å
8A73.3Confident81.8Confident46 Ų46128.9 Ų128.938%0.3863%0.625SS.*Hα-helixtrans-63-31.5177.600000113.4V4 R5 K16V4-A8 VanDerWaalsContact O-CB 3.3Å; V4-A8 WeakPolarHBondContact O-CB 3.44Å; V4-A8 PolarHBondContact O-N 3.35Å; R5-A8 PolarHBondContact O-N 2.88Å; A8-K16 WeakPolarHBondContact O-CE 3.47Å; A8-K16 PolarHBondContact O-NZ 2.79Å
9T78.4Confident82.3Confident110 Ų110124.2 Ų124.268%0.67561%0.609SS**Hα-helixtrans-68.3-40.4171.343.40000112.3R5 R6 R7 K16R5-T9 PolarHBondContact O-N 3.26Å; R5-T9 PolarHBondContact O-OG1 3.18Å; R6-T9 WeakPolarHBondContact CA-OG1 3.38Å; R6-T9 PolarHBondContact O-OG1 3.44Å; R7-T9 VanDerWaalsContact C-N 3.3Å; R7-T9 PolarHBondContact O-N 3.44Å; T9-K16 PolarHBondContact O-NZ 2.95Å
10A85.3Confident82.8Confident88 Ų88123.8 Ų123.873%0.72761%0.609SS**Hα-helixtrans-77.6-20.1-177.400000114.7R6 R7R6-A10 PolarHBondContact O-N 2.72Å; R7-A10 PolarHBondContact O-N 2.69Å; R7-A10 VanDerWaalsContact O-N 3.08Å
11M88.6Confident83.4Confident74 Ų74124 Ų12437%0.36561%0.607SS.*SBendtrans-63.1141.5-180-83.3167.815100113.3R7 E15 K16R7-M11 WeakPolarHBondContact O-CG 3.4Å; R7-M11 PolarHBondContact O-N 2.97Å; M11-E15 VanDerWaalsContact CA-OE2 3.28Å; M11-E15 WeakPolarHBondContact CA-OE2 3.42Å; M11-E15 HydrophobicContact CB-CB 4.11Å; M11-E15 HydrophobicContact CG-CB 4.22Å; M11-K16 HydrophobicContact CB-CG 3.98Å; M11-K16 WeakPolarHBondContact O-CE 3.45Å; M11-K16 PolarHBondContact O-NZ 3.19Å
12S91.4Very high84.9Confident51 Ų51118 Ų11836%0.35759%0.585SS.*  trans-59.1150.7169.4173.20000111.4R14 E15 K16S12-R14 PolarHBondContact O-N 2.91Å; S12-R14 PolarHBondContact OG-N 2.86Å; S12-E15 PolarHBondContact N-OE2 2.83Å; S12-E15 WeakPolarHBondContact O-CB 3.29Å; S12-E15 PolarHBondContact O-N 2.83Å; S12-K16 PolarHBondContact O-N 3.49Å
13P89Confident86.1Confident90 Ų90111.7 Ų111.758%0.58457%0.571SS**Hα-helixtrans-50.8-39.9171.5-2836000113.1E15 K16 H17P13-E15 PolarHBondContact O-N 3.42Å; P13-K16 WeakPolarHBondContact O-CB 3.36Å; P13-K16 PolarHBondContact O-N 3.21Å; P13-H17 PolarHBondContact O-CD2 2.84Å; P13-H17 PolarHBondContact O-N 2.98Å
14R89.6Confident87.2Confident216 Ų216111 Ų11182%0.81556%0.564SS**Hα-helixtrans-65.2-37.9177.6-68.3-178176171.7-1.2112.4S12 H17 L18S12-R14 PolarHBondContact O-N 2.91Å; S12-R14 PolarHBondContact OG-N 2.86Å; R14-H17 PolarHBondContact O-N 3.19Å; R14-L18 PolarHBondContact O-N 3.07Å
15E90.6Very high88.3Confident99 Ų99109.9 Ų109.946%0.46356%0.559SS.*Hα-helixtrans-70.5-36.8175.5-65168.5163.700111.8M11 S12 P13 L18 A19M11-E15 VanDerWaalsContact CA-OE2 3.28Å; M11-E15 WeakPolarHBondContact CA-OE2 3.42Å; M11-E15 HydrophobicContact CB-CB 4.11Å; M11-E15 HydrophobicContact CG-CB 4.22Å; S12-E15 PolarHBondContact N-OE2 2.83Å; S12-E15 WeakPolarHBondContact O-CB 3.29Å; S12-E15 PolarHBondContact O-N 2.83Å; P13-E15 PolarHBondContact O-N 3.42Å; E15-L18 PolarHBondContact O-N 3.46Å; E15-A19 VanDerWaalsContact O-CB 3.29Å; E15-A19 WeakPolarHBondContact O-CB 3.12Å; E15-A19 PolarHBondContact O-N 3.3Å
16K90.8Very high89.2Confident81 Ų81105.4 Ų105.435%0.35255%0.55SS.*Hα-helixtrans-60.8-45.6172.9-74.1158.5172151.30111A8 T9 M11 S12 P13 A19 L20A8-K16 WeakPolarHBondContact O-CE 3.47Å; A8-K16 PolarHBondContact O-NZ 2.79Å; T9-K16 PolarHBondContact O-NZ 2.95Å; M11-K16 HydrophobicContact CB-CG 3.98Å; M11-K16 WeakPolarHBondContact O-CE 3.45Å; M11-K16 PolarHBondContact O-NZ 3.19Å; S12-K16 PolarHBondContact O-N 3.49Å; P13-K16 WeakPolarHBondContact O-CB 3.36Å; P13-K16 PolarHBondContact O-N 3.21Å; K16-A19 PolarHBondContact O-N 2.74Å; K16-L20 WeakPolarHBondContact O-CB 3.37Å; K16-L20 VanDerWaalsContact O-CG 3.28Å; K16-L20 WeakPolarHBondContact O-CG 3.28Å; K16-L20 PolarHBondContact O-N 3.17Å
17H92.4Very high90Very high118 Ų11898.6 Ų98.655%0.54653%0.531SS..Hα-helixtrans-62-45.9172.9-72.2-67.5000112.1P13 R14 A19 L20 F21P13-H17 PolarHBondContact O-CD2 2.84Å; P13-H17 PolarHBondContact O-N 2.98Å; R14-H17 PolarHBondContact O-N 3.19Å; H17-A19 VanDerWaalsContact C-N 3.33Å; H17-A19 PolarHBondContact O-N 2.82Å; H17-L20 PolarHBondContact O-N 3.42Å; H17-F21 WeakPolarHBondContact O-CD2 3.37Å; H17-F21 PolarHBondContact O-N 3.2Å
18L93.4Very high91Very high130 Ų13095.1 Ų95.168%0.68153%0.525SS*.Hα-helixtrans-64.4-36.8-179.8-151.474.6000112.5R14 E15 S22R14-L18 PolarHBondContact O-N 3.07Å; E15-L18 PolarHBondContact O-N 3.46Å; L18-S22 WeakPolarHBondContact O-CB 3.33Å; L18-S22 PolarHBondContact O-N 2.82Å
19A91.9Very high92Very high40 Ų4097.4 Ų97.433%0.33153%0.53SS..Hα-helixtrans-67.6-40.1173.200000112.2E15 K16 H17 S22 V23E15-A19 VanDerWaalsContact O-CB 3.29Å; E15-A19 WeakPolarHBondContact O-CB 3.12Å; E15-A19 PolarHBondContact O-N 3.3Å; K16-A19 PolarHBondContact O-N 2.74Å; H17-A19 VanDerWaalsContact C-N 3.33Å; H17-A19 PolarHBondContact O-N 2.82Å; A19-S22 PolarHBondContact O-N 3.45Å; A19-V23 WeakPolarHBondContact O-CG2 3.09Å; A19-V23 PolarHBondContact O-N 2.88Å
20L93.1Very high92.8Very high116 Ų11695.7 Ų95.761%0.60752%0.519SS*.Hα-helixtrans-64.7-42.3174-73.7168.7000111.8K16 H17 V23 L24K16-L20 WeakPolarHBondContact O-CB 3.37Å; K16-L20 VanDerWaalsContact O-CG 3.28Å; K16-L20 WeakPolarHBondContact O-CG 3.28Å; K16-L20 PolarHBondContact O-N 3.17Å; H17-L20 PolarHBondContact O-N 3.42Å; L20-V23 PolarHBondContact O-N 3.23Å; L20-L24 WeakPolarHBondContact O-CB 3.29Å; L20-L24 PolarHBondContact O-N 3.46Å
21F94.9Very high93.3Very high129 Ų12998 Ų9857%0.56651%0.513SS*.Hα-helixtrans-62.3-41.6172.1-88.3-70.7000112.1H17 V23 L24 C25H17-F21 WeakPolarHBondContact O-CD2 3.37Å; H17-F21 PolarHBondContact O-N 3.2Å; F21-V23 PolarHBondContact O-N 3.13Å; F21-L24 PolarHBondContact O-N 2.85Å; F21-C25 WeakPolarHBondContact O-CB 3.33Å; F21-C25 PolarHBondContact O-N 2.95Å; F21-C25 PolarHBondContact O-SG 3.2Å
22S94.8Very high93.5Very high81 Ų81101.9 Ų101.957%0.56653%0.525SS*.Hα-helixtrans-61.7-42.8175.6179.60000112.4L18 A19 L26L18-S22 WeakPolarHBondContact O-CB 3.33Å; L18-S22 PolarHBondContact O-N 2.82Å; A19-S22 PolarHBondContact O-N 3.45Å; S22-L26 WeakPolarHBondContact O-CB 3.4Å; S22-L26 PolarHBondContact O-N 2.95Å
23V95.4Very high93.7Very high92 Ų92105.9 Ų105.956%0.55853%0.533SS*.Hα-helixtrans-65.9-42.4174.2171.10000111.3A19 L20 F21 L26 V27A19-V23 WeakPolarHBondContact O-CG2 3.09Å; A19-V23 PolarHBondContact O-N 2.88Å; L20-V23 PolarHBondContact O-N 3.23Å; F21-V23 PolarHBondContact O-N 3.13Å; V23-L26 PolarHBondContact O-N 2.74Å; V23-V27 HydrophobicContact CG1-CG2 4.43Å; V23-V27 WeakPolarHBondContact O-CG2 3.28Å; V23-V27 PolarHBondContact O-N 2.94Å
24L96.3Very high93.9Very high88 Ų88104.9 Ų104.946%0.46152%0.522SS..Hα-helixtrans-61.7-45.9177-179.361.6000111.5L20 F21 L26 V27 L28L20-L24 WeakPolarHBondContact O-CB 3.29Å; L20-L24 PolarHBondContact O-N 3.46Å; F21-L24 PolarHBondContact O-N 2.85Å; L24-L26 VanDerWaalsContact C-N 3.33Å; L24-L26 PolarHBondContact O-N 2.95Å; L24-V27 PolarHBondContact O-N 3.36Å; L24-L28 HydrophobicContact CD1-CD1 4.34Å; L24-L28 HydrophobicContact CD1-CG 4.37Å; L24-L28 HydrophobicContact CG-CD1 4.09Å; L24-L28 WeakPolarHBondContact O-CB 3.43Å; L24-L28 WeakPolarHBondContact O-CG 3.4Å; L24-L28 PolarHBondContact O-N 3.27Å
25C95.1Very high94Very high77 Ų7798.3 Ų98.352%0.5251%0.508SS..Hα-helixtrans-60.9-39.8174.9-70.80000112.1F21 L28 L29F21-C25 WeakPolarHBondContact O-CB 3.33Å; F21-C25 PolarHBondContact O-N 2.95Å; F21-C25 PolarHBondContact O-SG 3.2Å; C25-L28 PolarHBondContact O-N 3.33Å; C25-L29 VanDerWaalsContact O-CB 3.25Å; C25-L29 WeakPolarHBondContact O-CB 3.37Å; C25-L29 PolarHBondContact O-N 3.16Å
26L95.3Very high94.1Very high111 Ų11197.5 Ų97.558%0.58151%0.505SS*.Hα-helixtrans-66.5-40175.7-171.2151.5000111.8S22 V23 L24 L29 V30S22-L26 WeakPolarHBondContact O-CB 3.4Å; S22-L26 PolarHBondContact O-N 2.95Å; V23-L26 PolarHBondContact O-N 2.74Å; L24-L26 VanDerWaalsContact C-N 3.33Å; L24-L26 PolarHBondContact O-N 2.95Å; L26-L29 PolarHBondContact O-N 2.98Å; L26-V30 HydrophobicContact CD2-CG2 4.28Å; L26-V30 WeakPolarHBondContact O-CG2 3.49Å; L26-V30 PolarHBondContact O-N 3.44Å
27V95.9Very high94.3Very high59 Ų59100.5 Ų100.536%0.35852%0.519SS..Hα-helixtrans-64.2-45.5174.91680000111.1V23 L24 L29 V30 F31V23-V27 HydrophobicContact CG1-CG2 4.43Å; V23-V27 WeakPolarHBondContact O-CG2 3.28Å; V23-V27 PolarHBondContact O-N 2.94Å; L24-V27 PolarHBondContact O-N 3.36Å; V27-L29 PolarHBondContact O-N 2.94Å; V27-V30 PolarHBondContact O-N 3.03Å; V27-F31 HydrophobicContact CG1-CD2 3.68Å; V27-F31 HydrophobicContact CG1-CE2 3.65Å; V27-F31 VanDerWaalsContact O-CD2 3.28Å; V27-F31 WeakPolarHBondContact O-CD2 3.07Å; V27-F31 PolarHBondContact O-N 2.74Å
28L95.3Very high94.4Very high102 Ų102101 Ų10153%0.53452%0.52SS..Hα-helixtrans-62.5-40.7175.3-70.8170.3000111.9L24 C25 V30 F31 Y32L24-L28 HydrophobicContact CD1-CD1 4.34Å; L24-L28 HydrophobicContact CD1-CG 4.37Å; L24-L28 HydrophobicContact CG-CD1 4.09Å; L24-L28 WeakPolarHBondContact O-CB 3.43Å; L24-L28 WeakPolarHBondContact O-CG 3.4Å; L24-L28 PolarHBondContact O-N 3.27Å; C25-L28 PolarHBondContact O-N 3.33Å; L28-V30 VanDerWaalsContact C-N 3.35Å; L28-V30 PolarHBondContact O-N 3.07Å; L28-F31 PolarHBondContact O-N 3.42Å; L28-Y32 WeakPolarHBondContact O-CB 3.47Å; L28-Y32 PolarHBondContact O-N 3.14Å
29L95.3Very high94.5Very high94 Ų94102.4 Ų102.449%0.49252%0.517SS..Hα-helixtrans-62-41.6175.7-168.470000111.6C25 L26 V27 Y32 Y33C25-L29 VanDerWaalsContact O-CB 3.25Å; C25-L29 WeakPolarHBondContact O-CB 3.37Å; C25-L29 PolarHBondContact O-N 3.16Å; L26-L29 PolarHBondContact O-N 2.98Å; V27-L29 PolarHBondContact O-N 2.94Å; L29-Y32 PolarHBondContact O-N 3.15Å; L29-Y33 HydrophobicContact CD1-CD2 4.16Å; L29-Y33 HydrophobicContact CD1-CE2 3.64Å; L29-Y33 HydrophobicContact CG-CD2 3.99Å; L29-Y33 HydrophobicContact CG-CE2 3.85Å; L29-Y33 VanDerWaalsContact O-CD2 3.26Å; L29-Y33 WeakPolarHBondContact O-CD2 3.39Å; L29-Y33 PolarHBondContact O-N 2.74Å
30V95.1Very high94.7Very high73 Ų73102.3 Ų102.344%0.44252%0.52SS..Hα-helixtrans-64.4-46.3174167.50000111.1L26 V27 L28 Y32 Y33 I34L26-V30 HydrophobicContact CD2-CG2 4.28Å; L26-V30 WeakPolarHBondContact O-CG2 3.49Å; L26-V30 PolarHBondContact O-N 3.44Å; V27-V30 PolarHBondContact O-N 3.03Å; L28-V30 VanDerWaalsContact C-N 3.35Å; L28-V30 PolarHBondContact O-N 3.07Å; V30-Y32 VanDerWaalsContact C-N 3.27Å; V30-Y32 PolarHBondContact O-N 2.79Å; V30-Y33 PolarHBondContact O-N 3.11Å; V30-I34 HydrophobicContact CG1-CD1 3.65Å; V30-I34 HydrophobicContact CG1-CG1 4.28Å; V30-I34 VanDerWaalsContact O-CG1 3.26Å; V30-I34 WeakPolarHBondContact O-CG1 3.37Å; V30-I34 PolarHBondContact O-N 2.86Å
31F94.3Very high94.8Very high136 Ų13699.4 Ų99.460%0.59651%0.507SS*.Hα-helixtrans-64.8-27.8176-82.5-64.4000113.6V27 L28 I34 P35V27-F31 HydrophobicContact CG1-CD2 3.68Å; V27-F31 HydrophobicContact CG1-CE2 3.65Å; V27-F31 VanDerWaalsContact O-CD2 3.28Å; V27-F31 WeakPolarHBondContact O-CD2 3.07Å; V27-F31 PolarHBondContact O-N 2.74Å; L28-F31 PolarHBondContact O-N 3.42Å; F31-I34 HydrophobicContact CD1-CD1 4.49Å; F31-P35 WeakPolarHBondContact O-CD 3.23Å
32Y94.5Very high94.8Very high156 Ų15698.3 Ų98.361%0.61251%0.507SS*.Hα-helixtrans-72.4-42173-177.9-101.2000112.3L28 L29 V30 I36L28-Y32 WeakPolarHBondContact O-CB 3.47Å; L28-Y32 PolarHBondContact O-N 3.14Å; L29-Y32 PolarHBondContact O-N 3.15Å; V30-Y32 VanDerWaalsContact C-N 3.27Å; V30-Y32 PolarHBondContact O-N 2.79Å; Y32-I36 HydrophobicContact CD1-CD1 3.86Å; Y32-I36 HydrophobicContact CE1-CD1 3.47Å; Y32-I36 VanDerWaalsContact CE1-CD1 3.47Å; Y32-I36 WeakPolarHBondContact O-CD1 3.36Å
33Y93.8Very high94.9Very high135 Ų13598.3 Ų98.353%0.52950%0.5SS..Hα-helixtrans-78.3-22.9179.4-78.2-61.5000114.7L29 V30 I36 F37L29-Y33 HydrophobicContact CD1-CD2 4.16Å; L29-Y33 HydrophobicContact CD1-CE2 3.64Å; L29-Y33 HydrophobicContact CG-CD2 3.99Å; L29-Y33 HydrophobicContact CG-CE2 3.85Å; L29-Y33 VanDerWaalsContact O-CD2 3.26Å; L29-Y33 WeakPolarHBondContact O-CD2 3.39Å; L29-Y33 PolarHBondContact O-N 2.74Å; V30-Y33 PolarHBondContact O-N 3.11Å; Y33-I36 HydrophobicContact CD1-CD1 4.17Å; Y33-I36 HydrophobicContact CE1-CD1 4.5Å; Y33-I36 PolarHBondContact O-N 3.41Å; Y33-F37 WeakPolarHBondContact O-CB 3.25Å; Y33-F37 PolarHBondContact O-N 2.87Å
34I93.6Very high94.9Very high70 Ų7099.3 Ų99.336%0.35950%0.501SS..Hα-helixtrans-58.1-52.3178.8-79.4164.9000112.3V30 F31 I36 F37 F38V30-I34 HydrophobicContact CG1-CD1 3.65Å; V30-I34 HydrophobicContact CG1-CG1 4.28Å; V30-I34 VanDerWaalsContact O-CG1 3.26Å; V30-I34 WeakPolarHBondContact O-CG1 3.37Å; V30-I34 PolarHBondContact O-N 2.86Å; F31-I34 HydrophobicContact CD1-CD1 4.49Å; I34-I36 VanDerWaalsContact C-N 3.34Å; I34-I36 PolarHBondContact O-N 3.37Å; I34-F37 PolarHBondContact O-N 3.29Å; I34-F38 HydrophobicContact CG2-CD2 3.76Å; I34-F38 HydrophobicContact CG2-CE2 3.7Å; I34-F38 VanDerWaalsContact O-CD2 3.29Å; I34-F38 WeakPolarHBondContact O-CD2 3.26Å; I34-F38 PolarHBondContact O-N 3.16Å
35P92.6Very high94.8Very high78 Ų7898.7 Ų98.751%0.50650%0.504SS..Hα-helixtrans-60.4-39.9174.8-25.735000113.3F31 F38 Y39F31-P35 WeakPolarHBondContact O-CD 3.23Å; P35-F38 PolarHBondContact O-N 3.43Å; P35-Y39 VanDerWaalsContact O-CB 3.31Å; P35-Y39 WeakPolarHBondContact O-CB 3.37Å; P35-Y39 PolarHBondContact O-N 3.43Å
36I93.4Very high94.8Very high81 Ų8199.8 Ų99.842%0.41551%0.508SS..Hα-helixtrans-64.5-42.2179.3-61.6172.2000110.5Y32 Y33 I34 Y39 G40Y32-I36 HydrophobicContact CD1-CD1 3.86Å; Y32-I36 HydrophobicContact CE1-CD1 3.47Å; Y32-I36 VanDerWaalsContact CE1-CD1 3.47Å; Y32-I36 WeakPolarHBondContact O-CD1 3.36Å; Y33-I36 HydrophobicContact CD1-CD1 4.17Å; Y33-I36 HydrophobicContact CE1-CD1 4.5Å; Y33-I36 PolarHBondContact O-N 3.41Å; I34-I36 VanDerWaalsContact C-N 3.34Å; I34-I36 PolarHBondContact O-N 3.37Å; I36-Y39 PolarHBondContact O-N 3.41Å; I36-G40 PolarHBondContact O-N 3.1Å
37F94Very high94.7Very high145 Ų14597 Ų9764%0.63650%0.497SS*.Hα-helixtrans-64.4-47.9175.3-177.9-96.2000111.3Y33 I34 Y39 G40 T41Y33-F37 WeakPolarHBondContact O-CB 3.25Å; Y33-F37 PolarHBondContact O-N 2.87Å; I34-F37 PolarHBondContact O-N 3.29Å; F37-Y39 PolarHBondContact O-N 2.9Å; F37-G40 PolarHBondContact O-N 3.31Å; F37-T41 HydrophobicContact CD1-CG2 4.21Å; F37-T41 HydrophobicContact CE1-CG2 3.78Å; F37-T41 HydrophobicContact CE2-CG2 4.32Å; F37-T41 HydrophobicContact CZ-CG2 3.84Å; F37-T41 WeakPolarHBondContact O-CG2 3.49Å; F37-T41 PolarHBondContact O-N 2.82Å; F37-T41 PolarHBondContact O-OG1 3.03Å
38F95.5Very high94.5Very high128 Ų12897.7 Ų97.756%0.56150%0.504SS*.Hα-helixtrans-58.1-47.6175.6-83.8-60.2000111.8I34 P35 G40 T41 L42I34-F38 HydrophobicContact CG2-CD2 3.76Å; I34-F38 HydrophobicContact CG2-CE2 3.7Å; I34-F38 VanDerWaalsContact O-CD2 3.29Å; I34-F38 WeakPolarHBondContact O-CD2 3.26Å; I34-F38 PolarHBondContact O-N 3.16Å; P35-F38 PolarHBondContact O-N 3.43Å; F38-G40 PolarHBondContact O-N 2.9Å; F38-T41 WeakPolarHBondContact CA-OG1 3.49Å; F38-T41 PolarHBondContact O-N 3.07Å; F38-T41 VanDerWaalsContact O-N 3.17Å; F38-T41 PolarHBondContact O-OG1 2.9Å; F38-L42 WeakPolarHBondContact O-CG 3.36Å; F38-L42 PolarHBondContact O-N 2.85Å
39Y94.6Very high94.3Very high159 Ų15998.8 Ų98.862%0.62451%0.505SS*.Hα-helixtrans-61.1-42.2177.7-168.7-117000112.2P35 I36 F37 T41 L42 I43P35-Y39 VanDerWaalsContact O-CB 3.31Å; P35-Y39 WeakPolarHBondContact O-CB 3.37Å; P35-Y39 PolarHBondContact O-N 3.43Å; I36-Y39 PolarHBondContact O-N 3.41Å; F37-Y39 PolarHBondContact O-N 2.9Å; Y39-T41 PolarHBondContact O-N 2.78Å; Y39-L42 PolarHBondContact O-N 3.5Å; Y39-I43 HydrophobicContact CD1-CD1 3.73Å; Y39-I43 HydrophobicContact CE1-CD1 3.44Å; Y39-I43 VanDerWaalsContact CE1-CD1 3.44Å; Y39-I43 HydrophobicContact CE1-CG1 4.42Å; Y39-I43 HydrophobicContact CE2-CD1 4.47Å; Y39-I43 HydrophobicContact CG-CD1 4.37Å; Y39-I43 WeakPolarHBondContact O-CG1 3.35Å; Y39-I43 PolarHBondContact O-N 3.25Å
40G95.8Very high94Very high38 Ų3896.9 Ų96.939%0.39250%0.503SS..Hα-helixtrans-61-41.9172.700000113.3I36 F37 F38 L44I36-G40 PolarHBondContact O-N 3.1Å; F37-G40 PolarHBondContact O-N 3.31Å; F38-G40 PolarHBondContact O-N 2.9Å; G40-L44 WeakPolarHBondContact O-CB 3.35Å; G40-L44 PolarHBondContact O-N 3.48Å
41T95.1Very high93.6Very high55 Ų55100.1 Ų100.134%0.33751%0.511SS..Hα-helixtrans-69.7-33.2175.459.20000113.1F37 F38 Y39 L44 S45F37-T41 HydrophobicContact CD1-CG2 4.21Å; F37-T41 HydrophobicContact CE1-CG2 3.78Å; F37-T41 HydrophobicContact CE2-CG2 4.32Å; F37-T41 HydrophobicContact CZ-CG2 3.84Å; F37-T41 WeakPolarHBondContact O-CG2 3.49Å; F37-T41 PolarHBondContact O-N 2.82Å; F37-T41 PolarHBondContact O-OG1 3.03Å; F38-T41 WeakPolarHBondContact CA-OG1 3.49Å; F38-T41 PolarHBondContact O-N 3.07Å; F38-T41 VanDerWaalsContact O-N 3.17Å; F38-T41 PolarHBondContact O-OG1 2.9Å; Y39-T41 PolarHBondContact O-N 2.78Å; T41-L44 PolarHBondContact O-N 3.17Å; T41-S45 VanDerWaalsContact O-CB 3.26Å; T41-S45 WeakPolarHBondContact O-CB 3.04Å; T41-S45 PolarHBondContact O-N 3.46Å
42L96.1Very high93.2Very high107 Ų107101.6 Ų101.656%0.5651%0.514SS*.Hα-helixtrans-68.8-45.9174.5-73.7169.8000111.1F38 Y39 L44 S45 V46F38-L42 WeakPolarHBondContact O-CG 3.36Å; F38-L42 PolarHBondContact O-N 2.85Å; Y39-L42 PolarHBondContact O-N 3.5Å; L42-L44 VanDerWaalsContact C-N 3.34Å; L42-L44 PolarHBondContact O-N 2.86Å; L42-S45 PolarHBondContact O-N 3.3Å; L42-V46 WeakPolarHBondContact O-CB 3.48Å; L42-V46 WeakPolarHBondContact O-CG2 3.4Å; L42-V46 PolarHBondContact O-N 2.82Å
43I95.4Very high92.6Very high81 Ų81101.8 Ų101.842%0.41551%0.514SS..Hα-helixtrans-57.5-48.6172.1-71.4168.2000110.1Y39 S45 V46 C47Y39-I43 HydrophobicContact CD1-CD1 3.73Å; Y39-I43 HydrophobicContact CE1-CD1 3.44Å; Y39-I43 VanDerWaalsContact CE1-CD1 3.44Å; Y39-I43 HydrophobicContact CE1-CG1 4.42Å; Y39-I43 HydrophobicContact CE2-CD1 4.47Å; Y39-I43 HydrophobicContact CG-CD1 4.37Å; Y39-I43 WeakPolarHBondContact O-CG1 3.35Å; Y39-I43 PolarHBondContact O-N 3.25Å; I43-S45 VanDerWaalsContact C-N 3.31Å; I43-S45 PolarHBondContact O-N 3.24Å; I43-V46 PolarHBondContact O-N 3.31Å; I43-C47 WeakPolarHBondContact O-CB 3.38Å; I43-C47 PolarHBondContact O-N 3.43Å; I43-C47 PolarHBondContact O-SG 2.79Å
44L95.3Very high91.8Very high113 Ų113105.9 Ų105.959%0.59253%0.529SS*.Hα-helixtrans-61.3-40.4178.9-17660.9000111.8G40 T41 L42 C47 C48G40-L44 WeakPolarHBondContact O-CB 3.35Å; G40-L44 PolarHBondContact O-N 3.48Å; T41-L44 PolarHBondContact O-N 3.17Å; L42-L44 VanDerWaalsContact C-N 3.34Å; L42-L44 PolarHBondContact O-N 2.86Å; L44-C47 PolarHBondContact O-N 2.8Å; L44-C48 WeakPolarHBondContact O-CB 3.43Å; L44-C48 PolarHBondContact O-N 2.78Å; L44-C48 PolarHBondContact O-SG 3.47Å
45S95.3Very high90.6Very high75 Ų75106.7 Ų106.752%0.52454%0.541SS..Hα-helixtrans-64.8-44.9176.4-174.10000112.3T41 L42 I43 C48 F49T41-S45 VanDerWaalsContact O-CB 3.26Å; T41-S45 WeakPolarHBondContact O-CB 3.04Å; T41-S45 PolarHBondContact O-N 3.46Å; L42-S45 PolarHBondContact O-N 3.3Å; I43-S45 VanDerWaalsContact C-N 3.31Å; I43-S45 PolarHBondContact O-N 3.24Å; S45-C48 PolarHBondContact O-N 3.38Å; S45-F49 WeakPolarHBondContact O-CB 3.41Å; S45-F49 PolarHBondContact O-N 3.43Å
46V95.3Very high88.7Confident99 Ų99105.5 Ų105.560%0.654%0.543SS*.Hα-helixtrans-65-40.2175.5171.60000111L42 I43 F49 A50L42-V46 WeakPolarHBondContact O-CB 3.48Å; L42-V46 WeakPolarHBondContact O-CG2 3.4Å; L42-V46 PolarHBondContact O-N 2.82Å; I43-V46 PolarHBondContact O-N 3.31Å; V46-F49 PolarHBondContact O-N 2.88Å; V46-A50 VanDerWaalsContact O-CB 3.28Å; V46-A50 WeakPolarHBondContact O-CB 3.41Å; V46-A50 PolarHBondContact O-N 2.65Å
47C92.5Very high86.7Confident53 Ų53108.2 Ų108.236%0.35855%0.554SS.*Hα-helixtrans-62.3-46.8172.1-73.20000111.4I43 L44 F49 A50 F51I43-C47 WeakPolarHBondContact O-CB 3.38Å; I43-C47 PolarHBondContact O-N 3.43Å; I43-C47 PolarHBondContact O-SG 2.79Å; L44-C47 PolarHBondContact O-N 2.8Å; C47-F49 VanDerWaalsContact C-N 3.32Å; C47-F49 PolarHBondContact O-N 3.45Å; C47-A50 PolarHBondContact O-N 3.32Å; C47-F51 HydrophobicContact CB-CD2 4.41Å; C47-F51 HydrophobicContact CB-CE2 4.36Å; C47-F51 WeakPolarHBondContact O-CB 3.31Å; C47-F51 WeakPolarHBondContact O-CD2 3.46Å; C47-F51 WeakPolarHBondContact O-CG 3.29Å; C47-F51 PolarHBondContact O-N 3.27Å
48C90.9Very high84.5Confident73 Ų73108.6 Ų108.649%0.49356%0.557SS.*Hα-helixtrans-61-38.7176-74.80000112.4L44 S45 Y52L44-C48 WeakPolarHBondContact O-CB 3.43Å; L44-C48 PolarHBondContact O-N 2.78Å; L44-C48 PolarHBondContact O-SG 3.47Å; S45-C48 PolarHBondContact O-N 3.38Å; C48-Y52 WeakPolarHBondContact O-CB 3.38Å; C48-Y52 PolarHBondContact O-N 3.19Å
49F91.2Very high82.6Confident126 Ų126108.9 Ų108.955%0.55356%0.564SS**Hα-helixtrans-66.9-47.1174.9-168.7-90.6000111.4S45 V46 C47 F51 Y52 Y53S45-F49 WeakPolarHBondContact O-CB 3.41Å; S45-F49 PolarHBondContact O-N 3.43Å; V46-F49 PolarHBondContact O-N 2.88Å; C47-F49 VanDerWaalsContact C-N 3.32Å; C47-F49 PolarHBondContact O-N 3.45Å; F49-F51 VanDerWaalsContact C-N 3.34Å; F49-F51 PolarHBondContact O-N 2.79Å; F49-Y52 PolarHBondContact O-N 3.32Å; F49-Y52 VanDerWaalsContact O-N 3.16Å; F49-Y53 AromaticContact CD1-CD2 3.9Å; F49-Y53 HydrophobicContact CD1-CD2 3.9Å; F49-Y53 AromaticContact CD1-CE2 3.99Å; F49-Y53 HydrophobicContact CD1-CE2 3.99Å; F49-Y53 HydrophobicContact CD2-CD2 4.48Å; F49-Y53 HydrophobicContact CD2-CE2 4.07Å; F49-Y53 AromaticContact CE1-CD2 3.72Å; F49-Y53 HydrophobicContact CE1-CD2 3.72Å; F49-Y53 AromaticContact CE1-CE2 3.44Å; F49-Y53 HydrophobicContact CE1-CE2 3.44Å; F49-Y53 VanDerWaalsContact CE1-CE2 3.44Å; F49-Y53 HydrophobicContact CE1-CG 4.42Å; F49-Y53 AromaticContact CE1-CZ 3.9Å; F49-Y53 HydrophobicContact CE2-CD2 4.33Å; F49-Y53 AromaticContact CE2-CE2 3.54Å; F49-Y53 HydrophobicContact CE2-CE2 3.54Å; F49-Y53 HydrophobicContact CG-CD2 4.29Å; F49-Y53 HydrophobicContact CG-CE2 4.29Å; F49-Y53 AromaticContact CZ-CD2 3.96Å; F49-Y53 HydrophobicContact CZ-CD2 3.96Å; F49-Y53 AromaticContact CZ-CE2 3.2Å; F49-Y53 HydrophobicContact CZ-CE2 3.2Å; F49-Y53 AromaticContact CZ-CZ 3.54Å; F49-Y53 WeakPolarHBondContact O-CD2 3.2Å; F49-Y53 PolarHBondContact O-N 2.97Å
50A90.8Very high80.4Confident54 Ų54106.7 Ų106.745%0.44657%0.569SS.*Hα-helixtrans-61-41175.400000112V46 C47 R54V46-A50 VanDerWaalsContact O-CB 3.28Å; V46-A50 WeakPolarHBondContact O-CB 3.41Å; V46-A50 PolarHBondContact O-N 2.65Å; C47-A50 PolarHBondContact O-N 3.32Å; A50-R54 WeakPolarHBondContact O-CB 3.18Å; A50-R54 PolarHBondContact O-N 2.78Å
51F86.5Confident78Confident140 Ų140109 Ų10961%0.61458%0.584SS**Hα-helixtrans-63.9-44.7172-77.8-59000111.5C47 F49 Y53 R54 S55C47-F51 HydrophobicContact CB-CD2 4.41Å; C47-F51 HydrophobicContact CB-CE2 4.36Å; C47-F51 WeakPolarHBondContact O-CB 3.31Å; C47-F51 WeakPolarHBondContact O-CD2 3.46Å; C47-F51 WeakPolarHBondContact O-CG 3.29Å; C47-F51 PolarHBondContact O-N 3.27Å; F49-F51 VanDerWaalsContact C-N 3.34Å; F49-F51 PolarHBondContact O-N 2.79Å; F51-Y53 PolarHBondContact O-N 3.37Å; F51-R54 CarbonylContact O-C 3.52Å; F51-R54 PolarHBondContact O-N 3.27Å; F51-S55 WeakPolarHBondContact O-CB 3.35Å; F51-S55 PolarHBondContact O-N 3.45Å; F51-S55 PolarHBondContact O-OG 3.29Å
52Y86.1Confident75.7Confident168 Ų168116 Ų11666%0.65961%0.605SS**Hα-helixtrans-59.6-45.2178.6-174.1-99.2000112.6C48 F49C48-Y52 WeakPolarHBondContact O-CB 3.38Å; C48-Y52 PolarHBondContact O-N 3.19Å; F49-Y52 PolarHBondContact O-N 3.32Å; F49-Y52 VanDerWaalsContact O-N 3.16Å
53Y81.1Confident73.4Confident159 Ų159116.4 Ų116.462%0.62461%0.606SS**Hα-helixtrans-69.8-38.6176.5-83.6-110.3000112.2F49 F51 S55 G56F49-Y53 AromaticContact CD1-CD2 3.9Å; F49-Y53 HydrophobicContact CD1-CD2 3.9Å; F49-Y53 AromaticContact CD1-CE2 3.99Å; F49-Y53 HydrophobicContact CD1-CE2 3.99Å; F49-Y53 HydrophobicContact CD2-CD2 4.48Å; F49-Y53 HydrophobicContact CD2-CE2 4.07Å; F49-Y53 AromaticContact CE1-CD2 3.72Å; F49-Y53 HydrophobicContact CE1-CD2 3.72Å; F49-Y53 AromaticContact CE1-CE2 3.44Å; F49-Y53 HydrophobicContact CE1-CE2 3.44Å; F49-Y53 VanDerWaalsContact CE1-CE2 3.44Å; F49-Y53 HydrophobicContact CE1-CG 4.42Å; F49-Y53 AromaticContact CE1-CZ 3.9Å; F49-Y53 HydrophobicContact CE2-CD2 4.33Å; F49-Y53 AromaticContact CE2-CE2 3.54Å; F49-Y53 HydrophobicContact CE2-CE2 3.54Å; F49-Y53 HydrophobicContact CG-CD2 4.29Å; F49-Y53 HydrophobicContact CG-CE2 4.29Å; F49-Y53 AromaticContact CZ-CD2 3.96Å; F49-Y53 HydrophobicContact CZ-CD2 3.96Å; F49-Y53 AromaticContact CZ-CE2 3.2Å; F49-Y53 HydrophobicContact CZ-CE2 3.2Å; F49-Y53 AromaticContact CZ-CZ 3.54Å; F49-Y53 WeakPolarHBondContact O-CD2 3.2Å; F49-Y53 PolarHBondContact O-N 2.97Å; F51-Y53 PolarHBondContact O-N 3.37Å; Y53-S55 VanDerWaalsContact C-N 3.33Å; Y53-G56 PolarHBondContact O-N 2.88Å
54R77.3Confident71.1Confident221 Ų221114.9 Ų114.983%0.83461%0.611SS**Hα-helixtrans-77.8-15.9179-159.7173.9-163.8-123.34.6113.5A50 F51 G56A50-R54 WeakPolarHBondContact O-CB 3.18Å; A50-R54 PolarHBondContact O-N 2.78Å; F51-R54 CarbonylContact O-C 3.52Å; F51-R54 PolarHBondContact O-N 3.27Å; R54-G56 VanDerWaalsContact C-N 3.26Å
55S67.9Low68.6Low87 Ų87115.9 Ų115.961%0.60862%0.624SS**Hα-helixtrans-66.4-28.6169.7-78.90000111.9F51 Y53 E57F51-S55 WeakPolarHBondContact O-CB 3.35Å; F51-S55 PolarHBondContact O-N 3.45Å; F51-S55 PolarHBondContact O-OG 3.29Å; Y53-S55 VanDerWaalsContact C-N 3.33Å; S55-E57 PolarHBondContact O-N 2.85Å
56G53.8Low66.1Low53 Ų53119.3 Ų119.355%0.54664%0.637SS.*  trans64.7-20.3162.700000118.1Y53 R54 H58Y53-G56 PolarHBondContact O-N 2.88Å; R54-G56 VanDerWaalsContact C-N 3.26Å; G56-H58 PolarHBondContact O-N 3.5Å; G56-H58 VanDerWaalsContact O-N 3.13Å
57E51.3Low64Low139 Ų139118.9 Ų118.965%0.6564%0.636SS**  trans-73.3107-179.8-68.2-15617100110.8S55 L59S55-E57 PolarHBondContact O-N 2.85Å; E57-L59 VanDerWaalsContact C-N 3.33Å; E57-L59 PolarHBondContact O-N 3.17Å
58H47.7Very low61.6Low152 Ų152128.1 Ų128.170%0.70466%0.663SS**  trans-60.893.8167-75.2-107.1000109.6G56 P60 A61G56-H58 PolarHBondContact O-N 3.5Å; G56-H58 VanDerWaalsContact O-N 3.13Å; H58-P60 VanDerWaalsContact C-N 3.3Å; H58-P60 WeakPolarHBondContact O-CD 3.31Å; H58-P60 VanDerWaalsContact O-N 3.1Å; H58-A61 HydrophobicContact CB-CB 4.16Å; H58-A61 WeakPolarHBondContact O-CB 3.12Å; H58-A61 PolarHBondContact O-N 3.43Å
59L55.8Low59.7Low134 Ų134128.9 Ų128.970%0.70268%0.684SS**THydrogen-bonded Turntrans-51-27.5-178.7-84.4163.4000117.1E57E57-L59 VanDerWaalsContact C-N 3.33Å; E57-L59 PolarHBondContact O-N 3.17Å
60P46.8Very low57.5Low114 Ų114126.2 Ų126.274%0.7469%0.692SS**THydrogen-bonded Turntrans-74.9-18.7171.628.9-35.9000114.4H58 R62H58-P60 VanDerWaalsContact C-N 3.3Å; H58-P60 WeakPolarHBondContact O-CD 3.31Å; H58-P60 VanDerWaalsContact O-N 3.1Å; P60-R62 PolarHBondContact O-N 2.9Å
61A44.8Very low55Low86 Ų86131 Ų13171%0.71171%0.709SS**THydrogen-bonded Turntrans-83.9-9.6-16900000115H58H58-A61 HydrophobicContact CB-CB 4.16Å; H58-A61 WeakPolarHBondContact O-CB 3.12Å; H58-A61 PolarHBondContact O-N 3.43Å
62R47.5Very low52.9Low203 Ų203132.7 Ų132.777%0.76672%0.718SS**THydrogen-bonded Turntrans-112.16.1-175.7-140.1177.1-175.8-153.2-2.6115.3P60P60-R62 PolarHBondContact O-N 2.9Å
63L47.5Very low51Low114 Ų114128.7 Ų128.760%0.59771%0.708SS**  trans-104.590.2169.4-89.260.5000109.2P67L63-P67 HydrophobicContact CD2-CB 3.76Å; L63-P67 HydrophobicContact CD2-CG 4.41Å; L63-P67 HydrophobicContact CG-CB 3.98Å
64G47.6Very low49.4Very low49 Ų49124.6 Ų124.651%0.50570%0.701SS.*  trans-61.8179.2156.500000111.2N66G64-N66 PolarHBondContact O-N 2.89Å
65P42.3Very low47.9Very low135 Ų135118 Ų11888%0.87769%0.693SS**SBendtrans-64.910.6-16524.3-34.9000117.3
66N43.7Very low47Very low147 Ų147120 Ų12079%0.78670%0.701SS**  trans-142.590.8170.7-84.2-78.4000111.8G64 R68G64-N66 PolarHBondContact O-N 2.89Å; N66-R68 PolarHBondContact O-N 3.5Å
67P50.4Low46.8Very low89 Ų89124.1 Ų124.158%0.57870%0.704SS**  trans-65.6111.2165.325.5-32.5000111L63 G69L63-P67 HydrophobicContact CD2-CB 3.76Å; L63-P67 HydrophobicContact CD2-CG 4.41Å; L63-P67 HydrophobicContact CG-CB 3.98Å; P67-G69 PolarHBondContact O-N 2.85Å
68R42.7Very low46.8Very low247 Ų247126.7 Ų126.793%0.93271%0.708SS**  trans-70.6110.6162.2-76.6-173.6172.8-179.9-0.6108.6N66 G70N66-R68 PolarHBondContact O-N 3.5Å; R68-G70 PolarHBondContact O-N 2.93Å
69G50.7Low46.6Very low90 Ų90122.7 Ų122.793%0.92871%0.708SS**  trans-60.7109177.800000111.3P67P67-G69 PolarHBondContact O-N 2.85Å
70G45.6Very low46Very low70 Ų70127.2 Ų127.272%0.72272%0.716SS**  trans-154.418.8-167.700000116.1R68 H72R68-G70 PolarHBondContact O-N 2.93Å; G70-H72 PolarHBondContact O-N 2.93Å
71L37.5Very low45.6Very low155 Ų155128.7 Ų128.781%0.81272%0.717SS**  trans-95.886.5175-152.780.4000110.8I73L71-I73 VanDerWaalsContact C-N 3.31Å; L71-I73 HydrophobicContact CD2-CD1 4.27Å; L71-I73 HydrophobicContact CD2-CG1 4.2Å; L71-I73 HydrophobicContact CG-CG1 4.45Å; L71-I73 PolarHBondContact O-N 3Å
72H43.5Very low45.2Very low174 Ų174130.9 Ų130.981%0.80672%0.724SS**  trans-77.776.5-178.8-172.4-84000111.9G70 P74G70-H72 PolarHBondContact O-N 2.93Å; H72-P74 WeakPolarHBondContact O-CD 3.47Å
73I46.2Very low44.7Very low85 Ų85124.3 Ų124.344%0.43672%0.719SS.*  trans-65.9118.5172.8-58175.1000108.8L71 F77L71-I73 VanDerWaalsContact C-N 3.31Å; L71-I73 HydrophobicContact CD2-CD1 4.27Å; L71-I73 HydrophobicContact CD2-CG1 4.2Å; L71-I73 HydrophobicContact CG-CG1 4.45Å; L71-I73 PolarHBondContact O-N 3Å; I73-F77 HydrophobicContact CG2-CB 4.24Å
74P47Very low44Very low73 Ų73126.2 Ų126.247%0.47473%0.729SS.*  trans-64.6140.1-179.826-33.3000111.2H72 V76 F77H72-P74 WeakPolarHBondContact O-CD 3.47Å; P74-V76 PolarHBondContact O-N 3.49Å; P74-F77 HydrophobicContact CG-CD2 4.33Å; P74-F77 PolarHBondContact O-N 3.33Å; P74-F77 VanDerWaalsContact O-N 3.16Å
75A46.3Very low43.2Very low82 Ų82132.9 Ų132.968%0.67874%0.744SS**G310 helixtrans-56.2-27.7-16500000115.1F77 R78A75-F77 VanDerWaalsContact C-N 3.26Å; A75-F77 PolarHBondContact O-N 3.45Å; A75-R78 PolarHBondContact O-N 3.5Å; A75-R78 VanDerWaalsContact O-N 3.07Å
76V49.1Very low42.7Very low129 Ų129132.1 Ų132.178%0.78274%0.737SS**G310 helixtrans-53.4-40.2178.6-175.80000112.4P74 R78 G79P74-V76 PolarHBondContact O-N 3.49Å; V76-R78 VanDerWaalsContact C-N 3.29Å; V76-R78 PolarHBondContact O-N 2.84Å; V76-G79 PolarHBondContact O-N 3.46Å
77F49Very low42Very low139 Ų139131.4 Ų131.461%0.6174%0.738SS**G310 helixtrans-74.9-12.5-178.2-81.6-80.5000114.5I73 P74 A75 G79I73-F77 HydrophobicContact CG2-CB 4.24Å; P74-F77 HydrophobicContact CG-CD2 4.33Å; P74-F77 PolarHBondContact O-N 3.33Å; P74-F77 VanDerWaalsContact O-N 3.16Å; A75-F77 VanDerWaalsContact C-N 3.26Å; A75-F77 PolarHBondContact O-N 3.45Å; F77-G79 VanDerWaalsContact C-N 3.26Å; F77-G79 PolarHBondContact O-N 2.93Å
78R51.5Low41Very low193 Ų193130.6 Ų130.673%0.72875%0.746SS**G310 helixtrans-74.5-14.2175.7-71.1-175.2175.5-97.81.4113.5A75 V76A75-R78 PolarHBondContact O-N 3.5Å; A75-R78 VanDerWaalsContact O-N 3.07Å; V76-R78 VanDerWaalsContact C-N 3.29Å; V76-R78 PolarHBondContact O-N 2.84Å
79G44.1Very low40.4Very low68 Ų68125.5 Ų125.570%0.70174%0.742SS**G310 helixtrans-82.7-7.5178.500000115.6V76 F77V76-G79 PolarHBondContact O-N 3.46Å; F77-G79 VanDerWaalsContact C-N 3.26Å; F77-G79 PolarHBondContact O-N 2.93Å
80W42.8Very low39.5Very low229 Ų229126.2 Ų126.287%0.86773%0.733SS**SBendtrans-12212.6-166.8-103.555.9000115.2P82W80-P82 WeakPolarHBondContact O-CD 3.24Å
81L37.8Very low38.7Very low146 Ų146131.4 Ų131.476%0.76474%0.743SS**  trans-111.2106.6177.4-76.3168.9000111.5G83L81-G83 PolarHBondContact O-N 3.34Å
82P36Very low38.4Very low132 Ų132128.5 Ų128.586%0.85774%0.741SS**  trans-69.891.6177.4-20.834.5000113.4W80 L84W80-P82 WeakPolarHBondContact O-CD 3.24Å; P82-L84 PolarHBondContact O-N 2.84Å
83G37.3Very low37.8Very low64 Ų64126.8 Ų126.866%0.6674%0.743SS**  trans67.329.9142.700000119.2L81 K85L81-G83 PolarHBondContact O-N 3.34Å; G83-K85 PolarHBondContact O-N 3.43Å
84L32Very low37.1Very low154 Ų154135 Ų13581%0.80677%0.769SS**  trans-68.289.5171.9-172.565.8000111.4P82 T86P82-L84 PolarHBondContact O-N 2.84Å; L84-T86 HydrophobicContact CG-CG2 4.4Å; L84-T86 PolarHBondContact O-N 3.29Å
85K30.8Very low36.1Very low189 Ų189135.2 Ų135.282%0.82278%0.784SS**  trans-83.880.1178.8-74.3-176.3175.8178.20112.3G83 T87G83-K85 PolarHBondContact O-N 3.43Å; K85-T87 PolarHBondContact O-N 2.97Å
86T33.6Very low35.6Very low119 Ų119141.1 Ų141.173%0.7380%0.795SS**  trans-90.683.8166.441.50000110.8L84 G88L84-T86 HydrophobicContact CG-CG2 4.4Å; L84-T86 PolarHBondContact O-N 3.29Å; T86-G88 PolarHBondContact O-N 2.67Å
87T29.1Very low35.1Very low133 Ų133140.8 Ų140.882%0.81680%0.795SS**  trans-75.985.3177.343.90000112.2K85K85-T87 PolarHBondContact O-N 2.97Å
88G28.9Very low34.1Very low71 Ų71142.7 Ų142.773%0.73280%0.803SS**  trans-72.8166.2157.800000112.2T86T86-G88 PolarHBondContact O-N 2.67Å
89V30.5Very low33.1Very low140 Ų140144.8 Ų144.885%0.84881%0.811SS**  trans-91.3136.3-163.5175.30000114.4
90S31.1Very low32.3Very low105 Ų105146.4 Ų146.473%0.73481%0.812SS**  trans4.2137.9157.6-50.70000122.3
91L28.5Very low31.9Very low180 Ų180142.6 Ų142.694%0.94281%0.807SS**  -143.5154.8126.6-151.474.5000110.1
92A30.6Very low31.6Very low93 Ų93139.9 Ų139.977%0.76980%0.8SS**  trans-145.1131.4-172.400000114.8
93T30.7Very low31.5Very low139 Ų139137.4 Ų137.485%0.85379%0.786SS**  trans-141.6113164.344.10000107.4
94R31.7Very low31.5Very low256 Ų256144 Ų14497%0.96679%0.792SS**  85.292.968.3-167.2-176.4-164.7-150.75.1113
95G27.6Very low31.7Very low78 Ų78145.7 Ų145.780%0.80479%0.793SS**  trans-172.8124.617000000114.5
96K33.9Very low31.8Very low206 Ų206139.7 Ų139.790%0.89678%0.779SS**  trans-152.5172.4176.9-90.7-170.8178.4-178.30107.7
97P38.8Very low31.9Very low122 Ų122141 Ų14179%0.79278%0.777SS**  cis-113.9-111.57.832.4-11.8000116.1
98K29.5Very low32Very low180 Ų180141.3 Ų141.378%0.78377%0.769SS**  cis-157.568.710.5-164.3-174.2174.9-176.20115.6
99R30.7Very low32.2Very low236 Ų236146.2 Ų146.289%0.89177%0.765SS**  trans67.3176.9164.5-52.4172.3176168.6-3.2114.9
100S27.1Very low32.3Very low103 Ų103145.6 Ų145.672%0.7275%0.753SS**  cis-142152.53.840.80000109.3
101I33.3Very low32.3Very low149 Ų149146.2 Ų146.276%0.76475%0.753SS**  67.2126.755.5-56.7162.6000110
102S32.1Very low32.4Very low89 Ų89145.9 Ų145.962%0.62275%0.746SS**  cis-154.9163.923.357.40000117.6
103S33.8Very low32.2Very low80 Ų80144.3 Ų144.356%0.55974%0.739SS**  trans61.2165.6133.963.30000122.3
104Y37.1Very low32.2Very low201 Ų201146 Ų14679%0.78874%0.737SS**  cis-152.5150.613.2-11.5-117.1000113.9
105K36.3Very low32Very low190 Ų190140 Ų14083%0.82672%0.723SS**  trans43156.8141.5-76.6-140.9159.2-150.50124E107K105-E107 IonicContact NZ-OE1 2.74Å
106A33.7Very low32Very low64 Ų64145.7 Ų145.753%0.52972%0.721SS.*  cis-177.3176.2-24.700000112.7
107E35.8Very low31.6Very low145 Ų145143.7 Ų143.768%0.67871%0.714SS**  trans68.2154.3160.7-47.1-47.5146.200118.6K105K105-E107 IonicContact NZ-OE1 2.74Å
108H30.1Very low31.1Very low141 Ų141148.6 Ų148.665%0.65372%0.717SS**  cis-156.713715.3-163.8-131.7000112.9
109R33.2Very low31.8Very low173 Ų173144.2 Ų144.265%0.65371%0.707SS**  trans47.1172.2144.1-73.6-161.6156179.4-54.7123.1
110E32.5Very low31.6Very low127 Ų127138.3 Ų138.359%0.59370%0.702SS**  cis-166.7164.3-38.1-100.8164.3-15400104
111T30.6Very low31.6Very low118 Ų118141 Ų14172%0.72470%0.703SS**  cis-151.615842.539.70000108.8
112E30.9Very low31.5Very low173 Ų173140.5 Ų140.581%0.80871%0.707SS**  cis73124.149-171.4171.4-122.300114
113G27.2Very low31.3Very low60 Ų60139.2 Ų139.262%0.61971%0.708SS**  cis175.1-174.4-7.200000112.9
114H30.5Very low31Very low175 Ų175142.3 Ų142.381%0.8172%0.717SS**  trans64.5156.2150-87.164.7000119.4
115L27.9Very low30.5Very low130 Ų130142.3 Ų142.368%0.68172%0.717SS**  cis-168.6150.4-1.7170.665.2000112.3
116R27.3Very low30.1Very low197 Ų197144 Ų14474%0.74372%0.718SS**  trans61.4172.8162.4-72.4-94.3-179.9175.6-0.6116.9
117Q25.2Very low29.7Very low164 Ų164149.5 Ų149.577%0.76673%0.725SS**  cis-140.8152.24.8-157.5118.7-22.200113
118R28.7Very low29.2Very low225 Ų225149.6 Ų149.685%0.84973%0.726SS**  trans-105.5-174.8162.7-140.4-166.9170.9-159.8-0.6106.7
119P43.9Very low29.1Very low89 Ų89146.4 Ų146.458%0.57872%0.724SS**  cis-130.7-171.9-18.843.4-27.5000112.8
120S26.6Very low29Very low111 Ų111146.2 Ų146.278%0.77674%0.735SS**  156165124.2610000112.3
121E27.5Very low28.9Very low159 Ų159144.9 Ų144.974%0.74374%0.74SS**  cis-169173.5-46.1-163.5121.7-154.100108.3
122T29.9Very low28.8Very low139 Ų139144.1 Ų144.185%0.85374%0.739SS**  trans71.3149.5169.6750000118.2
123G28.3Very low28.6Very low62 Ų62142 Ų14264%0.63973%0.733SS**  cis176.7128.4-12.800000118.5
124I28.5Very low28.6Very low146 Ų146143 Ų14375%0.74973%0.731SS**  trans63.2152.1137.7-24.5-175.6000120.8
125Y26.3Very low28.5Very low201 Ų201143.7 Ų143.779%0.78873%0.732SS**  trans75.5156.5164.8-72.8-63.7000116.7
126R26.7Very low28.7Very low226 Ų226144.3 Ų144.385%0.85374%0.735SS**  cis-163.2154.80.7146.5-158.4-55.6-153.54107.5
127R25.7Very low28.8Very low179 Ų179143.6 Ų143.668%0.67574%0.737SS**  cis-178.8142.3-21.3177.9-178.1166.4-165-17.2107.1
128E26.6Very low29.4Very low147 Ų147140.6 Ų140.669%0.68774%0.735SS**  trans64169.7163.1-83.6157.2-166.500117.9
129A27.8Very low29.8Very low74 Ų74135.3 Ų135.361%0.61273%0.73SS**  cis-165.5152.6-17.200000112.3
130L29.9Very low29.2Very low168 Ų168141.2 Ų141.288%0.8874%0.74SS**  trans56.5173.4151.3-58.7164.4000116.7
131S31.6Very low29.5Very low100 Ų100142.5 Ų142.570%0.69974%0.738SS**  cis-141.4158.2-0.8-20.90000107.8
132S28.1Very low29.9Very low101 Ų101143.6 Ų143.671%0.70674%0.741SS**  46.4139.684.5-75.60000115.6
133D25.8Very low30.6Very low130 Ų130143.6 Ų143.670%0.69574%0.735SS**  cis-154.5179.1-0.1-133.5-73.1000114.8
134S28.1Very low31Very low80 Ų80149 Ų14956%0.55975%0.746SS**  trans-55.8167.6169.958.10000116.1
135F28.4Very low31.2Very low190 Ų190145.3 Ų145.383%0.83374%0.744SS**  trans-161.8133.2130.4-92.2-60.2000113
136L31.1Very low31.8Very low142 Ų142141 Ų14174%0.74374%0.743SS**  trans-3.5149152.6-50.3170.8000118.3
137F30.1Very low32.1Very low182 Ų182140.5 Ų140.580%0.79874%0.743SS**  -161.3164.850.2-143.8-87.2000112.6
138S37.3Very low32.9Very low102 Ų102139.5 Ų139.571%0.71375%0.749SS**  trans-136.4128.6171.2178.30000111.8
139P38.3Very low33.2Very low114 Ų114135.8 Ų135.874%0.7475%0.75SS**  trans-104.1113.6167021.7000112.8
140R31.7Very low33.9Very low212 Ų212140.4 Ų140.480%0.876%0.756SS**  trans22.6116.9137.7-67.6170.5-176.4151.61.3117.7
141D31.8Very low34.5Very low138 Ų138138.4 Ų138.474%0.73875%0.753SS**  67.1124.376.2-66.3-51.7000114.3
142F37.1Very low34.4Very low183 Ų183140.4 Ų140.480%0.80375%0.751SS**  -176.7137114.7-98.7-54.2000114.1
143L44.3Very low34.4Very low139 Ų139140.4 Ų140.473%0.72875%0.751SS**  trans65.3145.2150.6-58.1167.5000118.8
144M36.8Very low35.2Very low174 Ų174140.6 Ų140.686%0.85776%0.76SS**  cis-170.9149.8-18.7-173.5157.855.400107.1
145G32.7Very low35.3Very low69 Ų69143.2 Ų143.271%0.71177%0.773SS**  cis-165.9178.6-1.700000111.3
146S38.8Very low35.3Very low110 Ų110138.5 Ų138.577%0.76977%0.769SS**  trans-86.3170.3-176.1-44.50000113.8
147Y32.8Very low35.2Very low217 Ų217139 Ų13985%0.85177%0.773SS**  trans-160102.3133.8-104.2-68.4000113.6
148I42Very low35.2Very low158 Ų158135.8 Ų135.881%0.8177%0.772SS**  trans55.3139143.9-59.9179.6000119.4
149G33.4Very low34.8Very low68 Ų68134.2 Ų134.270%0.70177%0.772SS**  cis-159.1-175.11300000115.6
150K41.4Very low34.5Very low172 Ų172140.4 Ų140.475%0.74878%0.781SS**  trans-94.3175.6-164.7-48.2-174.5-167.3169.10115.1E152K150-E152 WeakPolarHBondContact CD-OE2 3.43Å; K150-E152 IonicContact NZ-OE2 2.82Å; K150-E152 PolarHBondContact NZ-OE2 3.18Å
151P42.4Very low34.7Very low125 Ų125135.7 Ų135.781%0.81278%0.778SS**  -117.8141.28536.1-34.8000112.6
152E29.2Very low35Very low142 Ų142140.9 Ų140.966%0.66479%0.787SS**  cis79.1103.945.2-15466-152.400112.4K150K150-E152 WeakPolarHBondContact CD-OE2 3.43Å; K150-E152 IonicContact NZ-OE2 2.82Å; K150-E152 PolarHBondContact NZ-OE2 3.18Å
153S29.2Very low35.3Very low101 Ų101137 Ų13771%0.70679%0.789SS**  trans-156.8132.1177.849.50000111.4
154P41.8Very low35.5Very low134 Ų134134.2 Ų134.287%0.8779%0.793SS**  trans-86.9151.2-177.933.4-34.6000113.1
155T30.1Very low36.1Very low135 Ų135133.5 Ų133.583%0.82878%0.781SS**  trans-117.7131.4-179-64.10000112.5
156A29.6Very low37Very low92 Ų92135.1 Ų135.176%0.7677%0.774SS**  trans-163.9120.315500000105.1
157D28.3Very low37.5Very low153 Ų153135.2 Ų135.282%0.81877%0.772SS**  cis62.6130.641.3-128.41.6000112.8
158S30.2Very low38.4Very low113 Ų113134.9 Ų134.979%0.7977%0.769SS**  cis-141.3163.36.366.10000112.8
159G28.8Very low38.8Very low69 Ų69130.3 Ų130.371%0.71175%0.746SS**  trans-172.872.4-175.200000115.3
160R32.4Very low39.7Very low244 Ų244132.7 Ų132.792%0.92174%0.739SS**  trans-32.9116.8-180175.6-172.4-93.2-119.41.6114.2
161P36.3Very low40.2Very low114 Ų114130.1 Ų130.174%0.7473%0.733SS**PPolyproline II helixtrans-74.8136.6174.630.3-33.9000111.7
162R36.9Very low41Very low247 Ų247133.4 Ų133.493%0.93273%0.729SS**PPolyproline II helixtrans-80.6129.5167.7-169.4171.8-176.7130.8-0.7109.2
163A43.4Very low41.9Very low101 Ų101131.2 Ų131.284%0.83572%0.719SS**SBendtrans-62.5150.9-177.600000112.9
164G49Very low43Very low80 Ų80136.8 Ų136.883%0.82572%0.724SS**  trans97.251.5166.500000117.3
165R49Very low43.5Very low159 Ų159137.2 Ų137.260%0.672%0.718SS**  trans-135.1147.5161.4-101.3-171.5176.8-175.21111.6E173R165-E173 IonicContact CZ-OE1 2.72Å; R165-E173 IonicContact NH1-OE1 2.75Å; R165-E173 PolarHBondContact NH1-OE1 3.16Å; R165-E173 IonicContact NH1-OE2 3.77Å; R165-E173 PolarHBondContact NH1-OE2 2.97Å
166N52.6Low44.3Very low104 Ų104134.5 Ų134.556%0.55671%0.709SS**  trans-73.2145.8-178.7-46.7-76000110.6R168 D169 Q170N166-R168 PolarHBondContact O-N 3.23Å; N166-R168 VanDerWaalsContact O-N 3.13Å; N166-D169 WeakPolarHBondContact CB-OD2 3.26Å; N166-D169 PolarHBondContact ND2-OD2 3.23Å; N166-D169 PolarHBondContact O-N 3.05Å; N166-Q170 PolarHBondContact O-N 2.89Å
167P49.5Very low44.8Very low112 Ų112140 Ų14073%0.72771%0.71SS**Hα-helixtrans-61-25.8177.923.9-34000113D169 L171P167-D169 VanDerWaalsContact C-N 3.29Å; P167-D169 PolarHBondContact O-N 3.35Å; P167-L171 PolarHBondContact O-N 2.88Å
168R51.2Low45.4Very low210 Ų210137.7 Ų137.779%0.79270%0.704SS**Hα-helixtrans-67.8-27.2176.1-156.4175.8-166122.93.9113.3N166 R172N166-R168 PolarHBondContact O-N 3.23Å; N166-R168 VanDerWaalsContact O-N 3.13Å; R168-R172 PolarHBondContact O-N 3.01Å
169D50.3Low45.7Very low61 Ų61140 Ų14033%0.32671%0.708SS.*Hα-helixtrans-84.1-39-177.9-60-41.3000111.2N166 P167 L171 R172 E173N166-D169 WeakPolarHBondContact CB-OD2 3.26Å; N166-D169 PolarHBondContact ND2-OD2 3.23Å; N166-D169 PolarHBondContact O-N 3.05Å; P167-D169 VanDerWaalsContact C-N 3.29Å; P167-D169 PolarHBondContact O-N 3.35Å; D169-L171 VanDerWaalsContact C-N 3.27Å; D169-L171 PolarHBondContact O-N 2.88Å; D169-R172 PolarHBondContact O-N 3.21Å; D169-E173 WeakPolarHBondContact O-CB 3.31Å; D169-E173 PolarHBondContact O-N 3.46Å
170Q52.6Low46Very low119 Ų119144.9 Ų144.956%0.55671%0.711SS**Hα-helixtrans-58.4-38.3171-78.5-171-11.700112.2N166 E173 R174N166-Q170 PolarHBondContact O-N 2.89Å; Q170-E173 PolarHBondContact O-N 3.49Å; Q170-R174 WeakPolarHBondContact O-CB 3.48Å; Q170-R174 WeakPolarHBondContact O-CG 3.47Å; Q170-R174 PolarHBondContact O-N 3.07Å
171L51.9Low46.1Very low117 Ų117138 Ų13861%0.61371%0.706SS**Hα-helixtrans-65.6-41.1177.1-15878000111.7P167 D169 L175P167-L171 PolarHBondContact O-N 2.88Å; D169-L171 VanDerWaalsContact C-N 3.27Å; D169-L171 PolarHBondContact O-N 2.88Å; L171-L175 HydrophobicContact CG-CD1 4.29Å; L171-L175 WeakPolarHBondContact O-CB 2.97Å; L171-L175 VanDerWaalsContact O-CG 3.29Å; L171-L175 WeakPolarHBondContact O-CG 3.36Å; L171-L175 PolarHBondContact O-N 3.39Å; L171-L175 VanDerWaalsContact O-N 3.1Å
172R57.8Low46Very low194 Ų194139.3 Ų139.373%0.73271%0.712SS**Hα-helixtrans-63.2-40.8171.6-85.4-178.160.6132.6-2.6112.1R168 D169 L175 A176R168-R172 PolarHBondContact O-N 3.01Å; D169-R172 PolarHBondContact O-N 3.21Å; R172-L175 PolarHBondContact O-N 2.83Å; R172-A176 WeakPolarHBondContact O-CB 3.3Å; R172-A176 PolarHBondContact O-N 3.5Å
173E49Very low45.9Very low96 Ų96137.9 Ų137.945%0.44971%0.708SS.*Hα-helixtrans-70.8-33.4-177.6-164.2159.8-129.500112.4R165 D169 Q170R165-E173 IonicContact CZ-OE1 2.72Å; R165-E173 IonicContact NH1-OE1 2.75Å; R165-E173 PolarHBondContact NH1-OE1 3.16Å; R165-E173 IonicContact NH1-OE2 3.77Å; R165-E173 PolarHBondContact NH1-OE2 2.97Å; D169-E173 WeakPolarHBondContact O-CB 3.31Å; D169-E173 PolarHBondContact O-N 3.46Å; Q170-E173 PolarHBondContact O-N 3.49Å
174R51.4Low45.5Very low219 Ų219138 Ų13883%0.82670%0.699SS**Hα-helixtrans-69.9-35.3169.8-76.1-73.8-171153.92.1113.1Q170Q170-R174 WeakPolarHBondContact O-CB 3.48Å; Q170-R174 WeakPolarHBondContact O-CG 3.47Å; Q170-R174 PolarHBondContact O-N 3.07Å
175L53.5Low45.1Very low143 Ų143139.9 Ų139.975%0.74970%0.697SS**Hα-helixtrans-85.7-9.8179.2-68.5170.2000114.2L171 R172L171-L175 HydrophobicContact CG-CD1 4.29Å; L171-L175 WeakPolarHBondContact O-CB 2.97Å; L171-L175 VanDerWaalsContact O-CG 3.29Å; L171-L175 WeakPolarHBondContact O-CG 3.36Å; L171-L175 PolarHBondContact O-N 3.39Å; L171-L175 VanDerWaalsContact O-N 3.1Å; R172-L175 PolarHBondContact O-N 2.83Å
176A45.6Very low44.4Very low77 Ų77139.3 Ų139.364%0.63671%0.705SS**SBendtrans-104.13.6-176.400000114.8R172 P178R172-A176 WeakPolarHBondContact O-CB 3.3Å; R172-A176 PolarHBondContact O-N 3.5Å; A176-P178 WeakPolarHBondContact O-CD 3.26Å
177R41.2Very low43.7Very low208 Ų208145.9 Ų145.979%0.78572%0.722SS**PPolyproline II helixtrans-91.2117.7171.3-76.1-170.3173.9-154-1.7110.5
178P40.6Very low42.9Very low105 Ų105150.6 Ų150.668%0.68273%0.726SS**PPolyproline II helixtrans-63.9137.1162.4-1530000109.2A176A176-P178 WeakPolarHBondContact O-CD 3.26Å
179N37.3Very low42.1Very low162 Ų162146.8 Ų146.887%0.86672%0.72SS**PPolyproline II helixtrans-66.7141.8168.7-77.1-51.1000110
180H34Very low41.2Very low170 Ų170147.8 Ų147.879%0.78773%0.732SS**  trans-117.2165.5167.6-72.1-6.8000108.5
181A34.8Very low40.2Very low99 Ų99150.7 Ų150.782%0.81874%0.743SS**  trans67.574.5-17700000116.1
182V35.1Very low39.3Very low142 Ų142151.3 Ų151.386%0.86175%0.752SS**  -116.4125.5125.7179.40000106.4
183Y33.5Very low38.1Very low217 Ų217145.8 Ų145.885%0.85176%0.755SS**PPolyproline II helixtrans-92.8126.1-171.2-174.5-96000110.6
184T36.1Very low37.3Very low104 Ų104150.4 Ų150.464%0.63878%0.777SS**PPolyproline II helixtrans-100.4126.1-177.3450000112.6
185P40.2Very low36.8Very low120 Ų120146.1 Ų146.178%0.77978%0.775SS**PPolyproline II helixtrans-82.7126.5165.231.6-30.4000110.7
186N34.4Very low35.8Very low146 Ų146148 Ų14878%0.78179%0.785SS**PPolyproline II helixtrans-96.1131.6180-89.7-93000112.6
187R37.1Very low35.1Very low242 Ų242148.2 Ų148.291%0.91379%0.794SS**  trans-159.4146.1157.3-90.9-168.6173.5177.9-2.9109.6
188R33.9Very low34.8Very low211 Ų211143 Ų14380%0.79680%0.795SS**  cis-170.1131.2-26.3-147.5-171.3172.3-148.7-0.3108.3
189L33.1Very low35.2Very low131 Ų131144 Ų14469%0.68680%0.802SS**  trans57.4145.4155.5-66.2161.8000122
190S31.7Very low35Very low81 Ų81140 Ų14057%0.56680%0.799SS**  trans11.9151.6138.7-40.10000120.7
191F33.2Very low34.9Very low181 Ų181142.6 Ų142.679%0.79480%0.802SS**  cis-156.8139.744.9-73-83.9000109.2
192T32.6Very low35Very low130 Ų130145.4 Ų145.480%0.79880%0.796SS**  54.5122.779.565.90000118
193G32Very low34.8Very low77 Ų77144.5 Ų144.579%0.79479%0.791SS**  trans88160.8167.700000115.6
194E31.4Very low35Very low193 Ų193140.3 Ų140.390%0.90279%0.788SS**  cis-158.3-175.7-27.4-163.4150.7-153.900108.4
195T41.4Very low35.2Very low130 Ų130141.2 Ų141.280%0.79879%0.793SS**  trans-94.3160.3-172.8520000115.5
196L33.3Very low35.6Very low183 Ų183141.8 Ų141.896%0.95880%0.797SS**  trans91.3126.6159.7-160.369.3000116.6
197G30.1Very low35.8Very low80 Ų80142 Ų14283%0.82580%0.797SS**  trans170.689178.500000113.9
198A36.1Very low35.9Very low98 Ų98140.6 Ų140.681%0.8179%0.792SS**  trans-104.9161.7161.800000107.9
199P47.6Very low36.1Very low128 Ų128138.1 Ų138.183%0.83179%0.789SS**  cis-136.7173.624.341.6-24.1000116.9
200G33.1Very low36.3Very low78 Ų78142.4 Ų142.480%0.80480%0.798SS**  trans-139.6143.6164.500000110
201R33.3Very low37.2Very low223 Ų223144.4 Ų144.484%0.84281%0.809SS**  trans-112.6144.8-164.5-95.9-169.7172.5-1640.3114.7
202F35Very low37.9Very low159 Ų159143.6 Ų143.670%0.69781%0.812SS**  trans79.9121.4144.7-88.8-127.2000121.7
203T32Very low38.4Very low123 Ų123147 Ų14776%0.75582%0.819SS**  trans66154.7142.658.80000118.7
204V37.6Very low38.5Very low128 Ų128151.6 Ų151.678%0.77682%0.82SS**  cis-128.6151.79.51750000110.1
205T40.5Very low39Very low123 Ų123150.3 Ų150.376%0.75582%0.818SS**  trans-113.1153.3163.854.20000111.5
206P48Very low38.7Very low133 Ų133147.7 Ų147.786%0.86482%0.817SS**  trans-118.2100.5143.433.1-25.7000110.6
207L38.6Very low38.8Very low150 Ų150145.8 Ų145.879%0.78581%0.812SS**  trans-79.2148.1161.6179.372.9000109.3
208R38.4Very low39.2Very low213 Ų213147.1 Ų147.180%0.80481%0.809SS**  trans144.3150.6155.6-81.4162.2-151.4-131.210.6110.3
209H39.2Very low39.5Very low159 Ų159147.6 Ų147.674%0.73681%0.806SS**  cis-143.1149.4-9.4-103.5-69.5000107.9
210Y37.9Very low39.1Very low220 Ų220147.6 Ų147.686%0.86380%0.804SS**  trans-94.1155.2156.9-78.5-80.7000109.6
211P50.4Low39.3Very low123 Ų123146.8 Ų146.880%0.79980%0.796SS**  -130163.1120.737.4-31.1000113.6
212L47.1Very low39.4Very low165 Ų165142.4 Ų142.486%0.86479%0.793SS**  trans-94.7150.8173.2-67.7163.1000110.6
213Q43.1Very low39.4Very low200 Ų200142.4 Ų142.494%0.93580%0.8SS**  trans-153154.4152.7-111.6168.813.800110.5
214Q34.1Very low40.3Very low175 Ų175141.7 Ų141.782%0.81880%0.797SS**  trans-137.5160.9-173-92.4-172.3-84.700111.4
215L41.3Very low40.8Very low166 Ų166140.7 Ų140.787%0.86979%0.793SS**  trans70.8138.5160.4-99.164.2000118.3
216G36.8Very low40.7Very low74 Ų74141 Ų14176%0.76380%0.795SS**  trans175.7102.6174.900000113
217V35Very low40.2Very low143 Ų143144.6 Ų144.687%0.86780%0.797SS**  trans-52.2147.6172.8-750000113.4
218S38.3Very low40.2Very low108 Ų108148.7 Ų148.776%0.75580%0.802SS**  cis85.412042.3-172.60000115.7
219S41.9Very low40.1Very low108 Ų108144.3 Ų144.376%0.75580%0.795SS**  trans-154.3131160.3-163.40000106.5
220V39.9Very low40Very low129 Ų129139.6 Ų139.678%0.78279%0.789SS**  cis71.7125.842.7-173.60000111.3
221G37.6Very low39.9Very low61 Ų61139 Ų13963%0.62979%0.791SS**  cis-157.6165.80.800000112.8
222V34Very low39.2Very low130 Ų130144.7 Ų144.779%0.78880%0.796SS**  85.28887.1170.20000113.6
223L35.9Very low38.9Very low159 Ų159146.9 Ų146.983%0.83280%0.799SS**  87173.2108.2-75.8174.5000115
224P50.9Low38.7Very low109 Ų109146.4 Ų146.471%0.70879%0.794SS**  -121-151.2-55.941.6-25.9000109.9
225P47Very low38.9Very low106 Ų106144.9 Ų144.969%0.68879%0.791SS**  cis-137.1163.4-9.842.1-24.2000118.2
226V38.4Very low38.8Very low130 Ų130144.5 Ų144.579%0.78879%0.789SS**  trans60.4120140.41690000118.4
227K37.6Very low38.9Very low208 Ų208148.3 Ų148.390%0.90479%0.79SS**  -146.6-172.564.6-72.7-176.4-179.9178.40114.4
228W38.9Very low39Very low237 Ų237146.9 Ų146.990%0.89879%0.787SS**  trans-104.3176-158.6-152-81.6000115.1
229D36.2Very low39Very low121 Ų121147.5 Ų147.565%0.64779%0.789SS**  trans72.1146170.3-85.9-32.6000119.9
230G38.7Very low38.7Very low59 Ų59153.6 Ų153.661%0.60880%0.795SS**  cis-170.8146.6-3.600000115
231F35.7Very low38.3Very low207 Ų207155 Ų15591%0.90880%0.798SS**  trans32107.1163.8-88.3-96000121.9
232R35.9Very low38.4Very low244 Ų244157 Ų15792%0.92180%0.802SS**  trans-169.6135.714043-157-73.8-142.9-2116
233K39.3Very low39.1Very low211 Ų211156.4 Ų156.492%0.91780%0.801SS**  trans15.4123.1160.6-66.4-179.5176.1178.20121.2
234K39.9Very low39Very low190 Ų190153.7 Ų153.783%0.82680%0.801SS**  trans-163130.9140.152.7-169.3174.6-1750107.7
235N38.6Very low38.2Very low143 Ų143153.1 Ų153.177%0.76581%0.806SS**  55.2112.565.8-163.915.4000112.7
236I37.6Very low37.6Very low158 Ų158156.3 Ų156.381%0.8182%0.817SS**  trans-138.2133.6179.7-62.5-178.2000108.6
237L39.8Very low37.3Very low153 Ų153155 Ų15580%0.80181%0.813SS**PPolyproline II helixtrans-97.3167.4-178.9-76.2158.7000112
238S37.4Very low38.1Very low114 Ų114150.3 Ų150.380%0.79780%0.804SS**PPolyproline II helixtrans-63.5143.6-179.3-480000114.4
239P38.5Very low37.7Very low121 Ų121145.6 Ų145.679%0.78680%0.801SS**PPolyproline II helixtrans-85.4139.2155-6.125000111.3
240R34.7Very low38Very low236 Ų236145.6 Ų145.689%0.89181%0.805SS**  trans-134.6114.4170.2175.9-177.7-179.1166.30.1107.5
241N32.1Very low37.9Very low157 Ų157149.1 Ų149.184%0.8482%0.815SS**  trans-126.9137.4-172.9-83.4-20.5000113.1
242S39.8Very low38.4Very low103 Ų103149 Ų14972%0.7281%0.814SS**  trans177.2154.8178.654.60000108.6
243P49.2Very low38.6Very low119 Ų119144.8 Ų144.877%0.77381%0.808SS**  cis-138.9-174.4-6.441.6-23.5000115.8
244A33.9Very low38.8Very low101 Ų101138.9 Ų138.984%0.83580%0.799SS**  trans81.7125.7140.100000122.9
245A32.4Very low38.8Very low98 Ų98141 Ų14181%0.8180%0.802SS**  trans-147.4127.5142.200000109.7
246L35.4Very low38.6Very low173 Ų173140.4 Ų140.491%0.90681%0.805SS**  trans-0.9144.1162.5-52.6179000119
247S31.8Very low38.3Very low102 Ų102140.1 Ų140.171%0.71381%0.806SS**  cis131.5160.925.9-172.40000107
248P54.1Low38.2Very low109 Ų109141.7 Ų141.771%0.70881%0.809SS**  cis-134.4-165.5-32.734.3-12.7000114.4
249V30.2Very low37.9Very low139 Ų139147.7 Ų147.784%0.84281%0.814SS**  trans81.8147.6158.51800000119.2
250T43.5Very low37.6Very low120 Ų120149.5 Ų149.574%0.73682%0.817SS**  trans-82.8153.4-161.653.80000117.1
251V35.7Very low37.6Very low134 Ų134144.3 Ų144.381%0.81281%0.814SS**  -139.9147.1120.9-170.60000109.7I253V251-I253 HydrophobicContact CG1-CG1 4.29Å
252K46.7Very low37.5Very low204 Ų204141.5 Ų141.589%0.88781%0.806SS**  trans-99.9113.7177.7169.2-171.6171.4-172.40110
253I41.1Very low37.2Very low155 Ų155142 Ų14280%0.79581%0.805SS**  trans-122.9142.1175-57.4-179000109.6V251V251-I253 HydrophobicContact CG1-CG1 4.29Å
254A43.4Very low36.2Very low87 Ų87142.6 Ų142.672%0.71980%0.801SS**PPolyproline II helixtrans-78.4166.5-172.800000113.6
255R38.4Very low36Very low235 Ų235147.4 Ų147.489%0.88781%0.806SS**PPolyproline II helixtrans-69.8131.8170.2-66179-179.1138.71.7109.9
256P34.9Very low35.9Very low130 Ų130151.6 Ų151.684%0.84481%0.809SS**PPolyproline II helixtrans-64.2131.2160.4-19.733.4000110
257D30.6Very low35.8Very low153 Ų153149.5 Ų149.582%0.81881%0.809SS**PPolyproline II helixtrans-78.9157.6-173.6-108.3-44.2000114.1R259D257-R259 PolarHBondContact O-N 3.29Å
258H38Very low35.5Very low186 Ų186151 Ų15186%0.86182%0.818SS**  trans-70.4115.8170.9-63.8-76.1000111
259R30.9Very low34.4Very low239 Ų239150 Ų15090%0.90282%0.819SS**  trans-122.1103.4162.9-82.8-170172.7-172.7-0.7111.6D257D257-R259 PolarHBondContact O-N 3.29Å
260N33.9Very low34.8Very low159 Ų159147.2 Ų147.285%0.8582%0.818SS**  trans-79.8127.8159.4-69.5-14.2000109.2S262N260-S262 PolarHBondContact O-N 2.92Å
261P34Very low34.1Very low128 Ų128149 Ų14983%0.83182%0.823SS**  trans-81106155.431.3-28.8000109.4
262S30.3Very low33.9Very low98 Ų98148.6 Ų148.669%0.68582%0.82SS**  trans-80.7155.5147.465.90000108.1N260N260-S262 PolarHBondContact O-N 2.92Å
263V32.1Very low33.5Very low113 Ų113150.5 Ų150.569%0.68582%0.822SS**  cis-155.5165.730.4-128.80000110.4
264N28.6Very low33.3Very low131 Ų131147.5 Ų147.570%0.70182%0.82SS**  trans48.9113.9147.2-57.5-20.1000120.2
265H30.1Very low33.6Very low202 Ų202148.7 Ų148.794%0.93582%0.823SS**  -132.9150.4121.2-100.3-88.1000109.4
266Q30.4Very low34.4Very low187 Ų187140.8 Ų140.887%0.87481%0.808SS**  trans-91174.3-176-70.6178.8-8.200112.2
267S32.5Very low35.7Very low128 Ų128138.8 Ų138.890%0.89579%0.79SS**  trans-44.4136.4-179.8-53.30000114.8
268C26.2Very low37.5Very low134 Ų134136.3 Ų136.391%0.90578%0.782SS**  trans-135.2153148-156.10000109.1
269A30.9Very low39Very low89 Ų89132.3 Ų132.374%0.73678%0.775SS**  trans-95149.8178.200000110.7
270G38.8Very low41.6Very low80 Ų80121.6 Ų121.683%0.82574%0.736SS**  trans60.265.715600000117
271L28.4Very low44Very low158 Ų158123.7 Ų123.783%0.82773%0.732SS**  trans-113.4128.7151.3-81.2173.3000109.9
272T32.6Very low46.3Very low124 Ų124123.4 Ų123.476%0.76172%0.72SS**  trans26.5139.4155.451.20000120.2A274T272-A274 PolarHBondContact O-N 2.84Å
273R37.7Very low48.9Very low245 Ų245120 Ų12093%0.92570%0.696SS**  trans-50.3115.5154.1-70.8175.7178.5154.5-2.9108.2S275R273-S275 PolarHBondContact O-N 3.35Å
274A35.8Very low51.6Low91 Ų91117.6 Ų117.675%0.75268%0.682SS**  trans-56.4129.9148.900000106.2T272 A276T272-A274 PolarHBondContact O-N 2.84Å; A274-A276 PolarHBondContact O-N 3.37Å
275S49.8Very low54.2Low113 Ų113116.1 Ų116.179%0.7967%0.673SS**  trans-58.6113.618047.40000108.6R273 D277R273-S275 PolarHBondContact O-N 3.35Å; S275-D277 PolarHBondContact O-N 3.29Å
276A55.5Low56.5Low69 Ų69115 Ų11557%0.5766%0.661SS**  trans-58.8124.9167.900000107A274A274-A276 PolarHBondContact O-N 3.37Å
277D62.6Low59Low88 Ų88110 Ų11047%0.47164%0.643SS.*  trans-51.1123.5178.1163.526.3000109S275 C279 S280 S283S275-D277 PolarHBondContact O-N 3.29Å; D277-C279 PolarHBondContact O-N 3.16Å; D277-C279 WeakPolarHBondContact OD1-CB 3.41Å; D277-C279 PolarHBondContact OD1-N 3.14Å; D277-S280 VanDerWaalsContact O-CB 3.26Å; D277-S280 WeakPolarHBondContact O-CB 3.28Å; D277-S280 PolarHBondContact O-N 3.34Å; D277-S280 PolarHBondContact OD2-N 3.49Å; D277-S283 WeakPolarHBondContact O-CB 3.34Å
278P68.9Low61.2Low100 Ų100109 Ų10965%0.64963%0.626SS**THydrogen-bonded Turntrans-61.5-23.8179.525.5-34.6000112.3
279C68.8Low63.6Low103 Ų103111.2 Ų111.270%0.69662%0.621SS**THydrogen-bonded Turntrans-88.30.4173.2-680000113.7D277D277-C279 PolarHBondContact O-N 3.16Å; D277-C279 WeakPolarHBondContact OD1-CB 3.41Å; D277-C279 PolarHBondContact OD1-N 3.14Å
280S86.6Confident65.4Low14 Ų14113.7 Ų113.710%0.09862%0.617CS.*  trans-62.3141.5178101.70000110.1D277 E282 S283 V284D277-S280 VanDerWaalsContact O-CB 3.26Å; D277-S280 WeakPolarHBondContact O-CB 3.28Å; D277-S280 PolarHBondContact O-N 3.34Å; D277-S280 PolarHBondContact OD2-N 3.49Å; S280-E282 WeakPolarHBondContact CB-OE1 3.36Å; S280-E282 WeakPolarHBondContact CB-OE2 3.43Å; S280-E282 PolarHBondContact O-N 2.93Å; S280-E282 PolarHBondContact OG-OE1 3.27Å; S280-E282 PolarHBondContact OG-OE2 3.03Å; S280-S283 WeakPolarHBondContact O-CB 3.28Å; S280-S283 PolarHBondContact O-N 3.05Å; S280-S283 VanDerWaalsContact OG-CB 3.3Å; S280-S283 WeakPolarHBondContact OG-CB 3.49Å; S280-S283 PolarHBondContact OG-N 3.18Å; S280-V284 PolarHBondContact O-N 3.09Å
281R83.1Confident66.8Low203 Ų203113.7 Ų113.777%0.76660%0.604SS**Hα-helixtrans-62.1-33.6-175.8-173.6179.5175.6-149-0.3111.3L285R281-L285 HydrophobicContact CG-CD1 4.01Å; R281-L285 VanDerWaalsContact O-CB 3.23Å; R281-L285 WeakPolarHBondContact O-CB 3.43Å; R281-L285 WeakPolarHBondContact O-CD1 3.26Å; R281-L285 WeakPolarHBondContact O-CG 3.36Å; R281-L285 PolarHBondContact O-N 2.91Å; R281-L285 VanDerWaalsContact O-N 3.09Å
282E82.9Confident68.5Low121 Ų121117 Ų11757%0.56561%0.606SS**Hα-helixtrans-73-32.8174.8-16.971.2-108.700112.6S280 R286S280-E282 WeakPolarHBondContact CB-OE1 3.36Å; S280-E282 WeakPolarHBondContact CB-OE2 3.43Å; S280-E282 PolarHBondContact O-N 2.93Å; S280-E282 PolarHBondContact OG-OE1 3.27Å; S280-E282 PolarHBondContact OG-OE2 3.03Å; E282-R286 WeakPolarHBondContact O-CB 3.31Å; E282-R286 WeakPolarHBondContact O-CG 3.23Å; E282-R286 PolarHBondContact O-N 2.99Å
283S85.4Confident69.1Low28 Ų28118.8 Ų118.820%0.19660%0.603CS.*Hα-helixtrans-68.1-53.3175.2-167.90000110.9D277 S280 L285 R286 V287D277-S283 WeakPolarHBondContact O-CB 3.34Å; S280-S283 WeakPolarHBondContact O-CB 3.28Å; S280-S283 PolarHBondContact O-N 3.05Å; S280-S283 VanDerWaalsContact OG-CB 3.3Å; S280-S283 WeakPolarHBondContact OG-CB 3.49Å; S280-S283 PolarHBondContact OG-N 3.18Å; S283-L285 VanDerWaalsContact C-N 3.32Å; S283-L285 PolarHBondContact O-N 2.93Å; S283-R286 WeakPolarHBondContact O-CA 3.49Å; S283-R286 WeakPolarHBondContact O-CB 3.39Å; S283-R286 PolarHBondContact O-N 3Å; S283-V287 PolarHBondContact O-N 3.33Å
284V88.3Confident69.4Low62 Ų62117 Ų11738%0.37660%0.596SS.*Hα-helixtrans-59.9-40.7177.7178.20000111.3S280 R286 V287 L288S280-V284 PolarHBondContact O-N 3.09Å; V284-R286 VanDerWaalsContact C-N 3.33Å; V284-R286 PolarHBondContact O-N 3.18Å; V284-V287 PolarHBondContact O-N 3.14Å; V284-L288 HydrophobicContact CG1-CD1 3.86Å; V284-L288 HydrophobicContact CG1-CG 4.34Å; V284-L288 WeakPolarHBondContact O-CB 3.48Å; V284-L288 VanDerWaalsContact O-CG 3.3Å; V284-L288 WeakPolarHBondContact O-CG 3.38Å; V284-L288 PolarHBondContact O-N 3.18Å
285L82.9Confident69.2Low100 Ų100118.6 Ų118.652%0.52459%0.588SS.*Hα-helixtrans-70.7-22.6175.1-72.3173.2000114.1R281 S283 K289R281-L285 HydrophobicContact CG-CD1 4.01Å; R281-L285 VanDerWaalsContact O-CB 3.23Å; R281-L285 WeakPolarHBondContact O-CB 3.43Å; R281-L285 WeakPolarHBondContact O-CD1 3.26Å; R281-L285 WeakPolarHBondContact O-CG 3.36Å; R281-L285 PolarHBondContact O-N 2.91Å; R281-L285 VanDerWaalsContact O-N 3.09Å; S283-L285 VanDerWaalsContact C-N 3.32Å; S283-L285 PolarHBondContact O-N 2.93Å; L285-K289 VanDerWaalsContact O-CB 3.26Å; L285-K289 WeakPolarHBondContact O-CB 3.41Å; L285-K289 PolarHBondContact O-N 2.83Å
286R79.1Confident68.6Low179 Ų179119.5 Ų119.568%0.67559%0.589SS**Hα-helixtrans-73.1-52.7167.8-83.6175.2172.1160.3-1110.6E282 S283 V284 L288 K289 E290E282-R286 WeakPolarHBondContact O-CB 3.31Å; E282-R286 WeakPolarHBondContact O-CG 3.23Å; E282-R286 PolarHBondContact O-N 2.99Å; S283-R286 WeakPolarHBondContact O-CA 3.49Å; S283-R286 WeakPolarHBondContact O-CB 3.39Å; S283-R286 PolarHBondContact O-N 3Å; V284-R286 VanDerWaalsContact C-N 3.33Å; V284-R286 PolarHBondContact O-N 3.18Å; R286-L288 VanDerWaalsContact C-N 3.32Å; R286-L288 PolarHBondContact O-N 2.95Å; R286-K289 CarbonylContact O-C 3.58Å; R286-K289 WeakPolarHBondContact O-CA 3.07Å; R286-K289 WeakPolarHBondContact O-CB 3.15Å; R286-K289 PolarHBondContact O-N 2.96Å; R286-E290 VanDerWaalsContact O-CB 3.31Å; R286-E290 WeakPolarHBondContact O-CB 3.36Å; R286-E290 PolarHBondContact O-N 3.02Å
287V81.6Confident67.8Low81 Ų81123.4 Ų123.449%0.49160%0.595SS.*Hα-helixtrans-59.9-40.2-178.9176.90000111.5S283 V284 K289 E290 S291S283-V287 PolarHBondContact O-N 3.33Å; V284-V287 PolarHBondContact O-N 3.14Å; V287-K289 VanDerWaalsContact C-N 3.3Å; V287-K289 PolarHBondContact O-N 3.31Å; V287-E290 PolarHBondContact O-N 3.49Å; V287-S291 VanDerWaalsContact O-CB 3.24Å; V287-S291 WeakPolarHBondContact O-CB 3.41Å; V287-S291 PolarHBondContact O-N 2.85Å; V287-S291 PolarHBondContact O-OG 3.26Å
288L80.3Confident66.6Low106 Ų106126.3 Ų126.356%0.55561%0.611SS**Hα-helixtrans-67.2-25.9173.6-73.4171.4000114V284 R286V284-L288 HydrophobicContact CG1-CD1 3.86Å; V284-L288 HydrophobicContact CG1-CG 4.34Å; V284-L288 WeakPolarHBondContact O-CB 3.48Å; V284-L288 VanDerWaalsContact O-CG 3.3Å; V284-L288 WeakPolarHBondContact O-CG 3.38Å; V284-L288 PolarHBondContact O-N 3.18Å; R286-L288 VanDerWaalsContact C-N 3.32Å; R286-L288 PolarHBondContact O-N 2.95Å
289K75.8Confident65.2Low181 Ų181124 Ų12479%0.78759%0.591SS**Hα-helixtrans-84.5-27176.3-176177.1178.1-178.20112.4L285 R286 V287L285-K289 VanDerWaalsContact O-CB 3.26Å; L285-K289 WeakPolarHBondContact O-CB 3.41Å; L285-K289 PolarHBondContact O-N 2.83Å; R286-K289 CarbonylContact O-C 3.58Å; R286-K289 WeakPolarHBondContact O-CA 3.07Å; R286-K289 WeakPolarHBondContact O-CB 3.15Å; R286-K289 PolarHBondContact O-N 2.96Å; V287-K289 VanDerWaalsContact C-N 3.3Å; V287-K289 PolarHBondContact O-N 3.31Å
290E69.3Low63.6Low141 Ų141123.1 Ų123.166%0.65958%0.58SS**Hα-helixtrans-86.3-50.3-178.8-175.9167-155.700111.5R286 V287 R292 K293R286-E290 VanDerWaalsContact O-CB 3.31Å; R286-E290 WeakPolarHBondContact O-CB 3.36Å; R286-E290 PolarHBondContact O-N 3.02Å; V287-E290 PolarHBondContact O-N 3.49Å; E290-R292 PolarHBondContact O-N 3.17Å; E290-K293 PolarHBondContact O-N 3.28Å; E290-K293 VanDerWaalsContact O-N 3.15Å
291S67Low61.1Low80 Ų80129 Ų12956%0.55960%0.6SS**THydrogen-bonded Turntrans-60.5-17.1177.457.10000114.7V287 K293V287-S291 VanDerWaalsContact O-CB 3.24Å; V287-S291 WeakPolarHBondContact O-CB 3.41Å; V287-S291 PolarHBondContact O-N 2.85Å; V287-S291 PolarHBondContact O-OG 3.26Å; S291-K293 PolarHBondContact O-N 2.9Å; S291-K293 VanDerWaalsContact O-N 3.09Å
292R63.8Low58.7Low229 Ų229124 Ų12486%0.86460%0.595SS**THydrogen-bonded Turntrans-77.725.1171.9-157.6-178.1-108.3-125-3.2113.1E290E290-R292 PolarHBondContact O-N 3.17Å
293K46.4Very low56.2Low161 Ų161126 Ų12670%0.760%0.603SS**  trans-153.379.8173.1-160.3-173.6171.6-63.20114.7E290 S291E290-K293 PolarHBondContact O-N 3.28Å; E290-K293 VanDerWaalsContact O-N 3.15Å; S291-K293 PolarHBondContact O-N 2.9Å; S291-K293 VanDerWaalsContact O-N 3.09Å
294R43.9Very low53.8Low206 Ų206130.8 Ų130.878%0.77763%0.631SS**  trans-63.4155.7150.8-81.4-171.9-65.3109.3-8.2109.7
295E31.5Very low51Low125 Ų125133.4 Ų133.458%0.58465%0.647SS**  cis179.6161.8-4.6165.1178.4-175.700107.5
296V38Very low48.7Very low133 Ų133136 Ų13681%0.80666%0.657SS**  trans117.399.8172.5176.70000113
297E37.6Very low46.3Very low151 Ų151135.1 Ų135.171%0.70666%0.66SS**  trans-156.7154.5-171.4-67.288.4-170.600108.2
298D38.4Very low43.9Very low149 Ų149142.6 Ų142.680%0.79768%0.68SS**  cis-164.7175-10.2-147.89.2000106.4
299E37.8Very low41.5Very low51 Ų51142.2 Ų142.224%0.23869%0.686CS.*  cis-145.5-20.6-2.474.8110.3119.200115.1R301 S1034 T1035 S1036E299-R301 PolarHBondContact OE2-N 3.37Å; E299-R301 VanDerWaalsContact OE2-N 3.14Å; E299-S1034 CarbonylContact O-C 3.1Å; E299-S1034 WeakPolarHBondContact O-CA 3.38Å; E299-S1034 PolarHBondContact O-N 3.43Å; E299-T1035 WeakPolarHBondContact O-CA 3.45Å; E299-T1035 PolarHBondContact O-N 3.12Å; E299-T1035 VanDerWaalsContact O-N 3.08Å; E299-S1036 VanDerWaalsContact CD-CA 3.45Å; E299-S1036 VanDerWaalsContact OE1-CA 3.32Å; E299-S1036 WeakPolarHBondContact OE1-CA 3.37Å; E299-S1036 WeakPolarHBondContact OE2-CA 3.15Å; E299-S1036 PolarHBondContact OE2-N 2.92Å
300D36.7Very low39.7Very low84 Ų84143 Ų14345%0.44969%0.689SS.*  trans-61.6128.4-132.5-106.2-37.7000119.6S1033 S1034D300-S1033 WeakPolarHBondContact O-CB 3.33Å; D300-S1033 PolarHBondContact O-OG 3.48Å; D300-S1034 PolarHBondContact O-N 3.42Å
301R34.3Very low38Very low139 Ų139146.6 Ų146.653%0.52570%0.697SS.*  52.8150.3118.5-92.5-176.9-173.186.8-2.6121.1E299 S1033E299-R301 PolarHBondContact OE2-N 3.37Å; E299-R301 VanDerWaalsContact OE2-N 3.14Å; R301-S1033 PolarHBondContact O-OG 2.95Å
302S31.2Very low36.7Very low96 Ų96152.9 Ų152.967%0.67171%0.708SS**  cis-150.1172.111.7-69.20000114.1
303F31.2Very low35.3Very low164 Ų164152.6 Ų152.672%0.71971%0.707SS**  trans-44.4161.3164.2-44.8-85.7000115.2
304T34.7Very low34.9Very low129 Ų129150.7 Ų150.779%0.79171%0.705SS**  cis-139.3170.843.152.50000112.4
305T30.5Very low34.6Very low117 Ų117147.6 Ų147.672%0.71870%0.704SS**  cis83.290.325.7-50.30000117
306E33.3Very low34.9Very low154 Ų154146.5 Ų146.572%0.7271%0.71SS**  trans-178.2114.3149.4-98.2-74100.200104.2
307Q28.8Very low34.9Very low160 Ų160148.1 Ų148.175%0.74871%0.714SS**  cis81.5139.346.3-166.8172.3-113.900114.1
308R30.9Very low34.9Very low238 Ų238144.5 Ų144.590%0.89872%0.717SS**  trans73.1148.1171.4-148.6170.7-174.9-172.10.4114.7
309S30.8Very low34.8Very low98 Ų98142.5 Ų142.569%0.68572%0.715SS**  cis-155.1155.6-25.41630000111.6
310K37.6Very low34.8Very low198 Ų198145.3 Ų145.386%0.86174%0.74SS**  trans-18.6137.8155.5-93.5178.1174.5174.10117.7
311R34.7Very low34.7Very low217 Ų217150.4 Ų150.482%0.81976%0.761SS**  106.8139.4129.5-159.8-170.4-177.5-148.55.3117.4
312R39Very low35Very low211 Ų211149.4 Ų149.480%0.79678%0.775SS**  trans75.2126.9-177-61.9-174.9158.1167.6-9.1112.3
313R35.1Very low35.1Very low224 Ų224148.4 Ų148.485%0.84577%0.772SS**  cis91.1125.542.2-96.4-161.1-174169.40.6111.8
314N37.5Very low35.3Very low121 Ų121150.4 Ų150.465%0.64778%0.781SS**  trans69.7147.9160.2-60.551.5000115.4
315D36.7Very low35.6Very low141 Ų141152.9 Ų152.975%0.75478%0.783SS**  cis-154.1-179.8-19.5-95-24.7000108.3
316S38.7Very low36.5Very low102 Ų102151.5 Ų151.571%0.71378%0.777SS**  trans-79162.5-178.4-50.40000115.1
317D37.4Very low37Very low167 Ų167152.6 Ų152.689%0.89379%0.787SS**  trans45.1133.6145-59.5-45000122.1
318G37.5Very low37.7Very low74 Ų74152.7 Ų152.776%0.76379%0.791SS**  trans163.276.2175.500000111
319S36.5Very low38.4Very low108 Ų108146 Ų14676%0.75578%0.779SS**  97144.557.9-179.70000112.5
320S37.3Very low38.6Very low109 Ų109149.2 Ų149.276%0.76279%0.788SS**  trans61.8108.8159.334.80000118.7
321H34.8Very low38.6Very low192 Ų192143.5 Ų143.589%0.88979%0.785SS**  trans-62.2168.1153.7-80.7-81.3000112.5
322S40.7Very low38.7Very low117 Ų117139.7 Ų139.782%0.81879%0.787SS**  trans97.4108.3144.6-154.60000118
323A32.7Very low39Very low75 Ų75134.8 Ų134.862%0.6278%0.782SS**  trans-143.7143.5143.100000107.6
324F37.1Very low38.9Very low207 Ų207128.7 Ų128.791%0.90877%0.774SS**  trans73110.7179.3-49.4-70.2000117.1
325E40.4Very low39.1Very low180 Ų180130.3 Ų130.384%0.84178%0.777SS**  trans-131.3-177.8166.9-149.8-149.715300107
326P49.5Very low39.1Very low89 Ų89132.3 Ų132.358%0.57879%0.787SS**  -106.5165.4-92.737.2-27.1000114.2
327L43.5Very low39.2Very low177 Ų177132.9 Ų132.993%0.92779%0.786SS**  trans-137.3154.1152.4-77.6-178.9000111.2
328L42.8Very low39.8Very low161 Ų161129.7 Ų129.784%0.84377%0.774SS**  trans-104.4-155.3-171.3-62.9169.6000110.7
329P46.4Very low40Very low98 Ų98135.2 Ų135.264%0.63678%0.777SS**  -122.2174.9-8737.9-23.9000114
330N35.3Very low40.9Very low166 Ų166135.9 Ų135.989%0.88878%0.779SS**  trans72.7140.4172.1-46.9-42.6000116
331G37.9Very low40.9Very low77 Ų77134.4 Ų134.479%0.79478%0.781SS**  trans135.272.6170.500000116.2
332T36.3Very low40.9Very low138 Ų138131 Ų13185%0.84778%0.778SS**  trans-95.7175.9157.157.70000108.9
333P44.4Very low40.8Very low108 Ų108131.8 Ų131.870%0.70177%0.773SS**  cis-132.8-163.8-1.740.1-21.3000113.6
334S34.2Very low41.2Very low96 Ų96135.4 Ų135.467%0.67178%0.775SS**  trans70.4162.9148.6-88.30000118.6
335Q41.1Very low41.6Very low155 Ų155136.3 Ų136.372%0.72477%0.772SS**  cis-159.4133.4-21.8-125.2167.84.800109.2
336L35.9Very low41.4Very low182 Ų182131 Ų13195%0.95377%0.766SS**  trans-14898.6141-87.9-167.6000109.6
337V40.4Very low40.7Very low114 Ų114135.4 Ų135.469%0.69178%0.781SS**  trans-142.1150.6-176.9163.50000103.9
338P51.2Low40.2Very low100 Ų100132.3 Ų132.365%0.64977%0.769SS**  cis-124.4-151.313.621.77.3000111.1
339K42.3Very low39.5Very low191 Ų191130 Ų13083%0.8377%0.767SS**  cis-168168.745.3-120.4154.5179.6-179.40110.1
340P54.8Low38.7Very low122 Ų122129.8 Ų129.879%0.79277%0.773SS**  -145.9-177.8-111.538.2-14.4000117.7
341G37.1Very low38.5Very low77 Ų77128.8 Ų128.879%0.79477%0.767SS**  trans104.3145.4160.900000114.8
342S35.3Very low38.2Very low120 Ų120132.2 Ų132.284%0.83977%0.767SS**  cis-166.9165.32.7103.10000108.7
343L37.1Very low38.2Very low134 Ų134133.7 Ų133.770%0.70276%0.764SS**  cis-172.9151.7-5.116763.3000108.7
344K42.1Very low37.7Very low151 Ų151134.3 Ų134.366%0.65777%0.766SS**  trans76.4121.2179.7-67.2143.4-177.7-179.70114.4
345R44.6Very low37.7Very low226 Ų226134.7 Ų134.785%0.85376%0.764SS**  90124.655.2-79.9-162.7-61.2-126.613112.4
346G36.3Very low37.1Very low69 Ų69134.4 Ų134.471%0.71177%0.765SS**  cis153157.9-14.100000115.6
347M35.5Very low36.8Very low181 Ų181134.3 Ų134.389%0.89276%0.756SS**  trans66.2157.1162.7-48.9175.768.200116.7
348T32.4Very low36.6Very low112 Ų112139.4 Ų139.469%0.68776%0.763SS**  cis-138.7139.47.143.60000109.9
349S28.7Very low35.4Very low114 Ų114139.3 Ų139.380%0.79777%0.765SS**  87.1140.478.5-46.60000117
350A30Very low35.2Very low93 Ų93141.4 Ų141.477%0.76977%0.768SS**  trans-35.3163.4179.600000118.8
351I31.2Very low33.9Very low145 Ų145141.5 Ų141.574%0.74477%0.766SS**  176.4165.667.2-165156.9000113.8
352D30.9Very low33.4Very low149 Ų149143.2 Ų143.280%0.79777%0.766SS**  trans69.4153.5157.5-80.5-10.2000124.3
353E36.5Very low33.2Very low169 Ų169143 Ų14379%0.7977%0.765SS**  trans-106.8-170.5-172.8-53.8-174.4118.200113.1
354T34Very low32.8Very low120 Ų120144 Ų14474%0.73677%0.769SS**  trans82.4149.4158.888.30000117
355T33.9Very low32.1Very low105 Ų105141.3 Ų141.364%0.64477%0.769SS**  cis-158.5167.8-21.325.40000111
356M28.9Very low31.4Very low149 Ų149136.7 Ų136.773%0.73477%0.772SS**  trans82.9126.1137.7-89.8176.7-118.800123.1
357K29.8Very low31.2Very low179 Ų179136.6 Ų136.678%0.77877%0.771SS**  trans95.699.4140.9-55-111.3179.8166.90120.4
358R35.3Very low31.1Very low222 Ų222135 Ų13584%0.83877%0.771SS**  89.683.6117.3-168.7171.7-96.6-141.6-4.1119.5
359S26.6Very low30.8Very low98 Ų98133 Ų13369%0.68577%0.774SS**  64.2121114-51.30000122.4
360R38.5Very low31Very low234 Ų234132.4 Ų132.488%0.88378%0.775SS**  trans70.1145.7140.4-67.5-172.4165.7172.9-4.6117.4
361T27.4Very low31Very low125 Ų125133.7 Ų133.777%0.76777%0.765SS**  cis-164.1140.12.412.70000111.4
362S27.2Very low31.1Very low112 Ų112130 Ų13078%0.78376%0.756SS**  trans-175.8160.4158.450.70000109.4
363S29.6Very low31.9Very low117 Ų117128.6 Ų128.682%0.81876%0.755SS**  cis-157.3172.1-24.6-102.40000111.5
364I28.5Very low31.6Very low154 Ų154132.2 Ų132.279%0.7976%0.762SS**  trans-73137.5-178.637.8168.8000115.5
365S27.8Very low31.5Very low94 Ų94130.2 Ų130.266%0.65777%0.765SS**  trans50.7121.5151.454.50000120.3
366S31Very low31.6Very low130 Ų130131.6 Ų131.691%0.90977%0.773SS**  84.5120.454.6-59.10000116.7
367G31.3Very low32.2Very low67 Ų67130.6 Ų130.669%0.69178%0.778SS**  trans163.193.9163.500000113.4
368T32.4Very low32.1Very low146 Ų146125.5 Ų125.590%0.89678%0.776SS**  71.2124.490.3-52.50000114.4
369G28Very low31.9Very low72 Ų72120.9 Ų120.974%0.74277%0.773SS**  cis113.21421.700000113.6
370A32.9Very low32.3Very low100 Ų100127 Ų12783%0.82678%0.781SS**  cis-165.3-179.9-5.400000111.4
371H28.2Very low32.3Very low120 Ų120127.4 Ų127.456%0.55678%0.782SS**  trans-92.7141175.7-67.3-101.7000111.6F1040H371-F1040 HydrophobicContact CB-CD2 3.61Å; H371-F1040 HydrophobicContact CB-CE2 3.62Å; H371-F1040 HydrophobicContact CB-CG 4.12Å; H371-F1040 HydrophobicContact CB-CZ 4.12Å
372A34.5Very low32.7Very low67 Ų67129.2 Ų129.255%0.55479%0.787SS**  cis84.9151.83700000114.3F1040A372-F1040 WeakPolarHBondContact O-CE1 3.32Å; A372-F1040 WeakPolarHBondContact O-CZ 3.41Å
373P47.8Very low33.1Very low121 Ų121127.5 Ų127.579%0.78678%0.78SS**  cis-114.5-157.3-10.334.4-12.8000111.3
374R29.7Very low33.4Very low245 Ų245129.6 Ų129.693%0.92578%0.78SS**  cis-167.3145.532.7179-172.8-174.2-154.14.3110.7
375G32.8Very low33.7Very low77 Ų77131.1 Ų131.179%0.79478%0.784SS**  trans170.9106.3170.800000115.4
376T34.4Very low33.7Very low134 Ų134131.6 Ų131.682%0.82279%0.787SS**  trans-120.2177176.322.70000109.8
377P42.3Very low33.7Very low129 Ų129130.1 Ų130.184%0.83878%0.777SS**  cis-129-174.5-2.538.4-20.5000114.6
378G28.8Very low33.8Very low72 Ų72137.6 Ų137.674%0.74279%0.786SS**  trans179.395.5168.800000118.3
379T31.2Very low33.8Very low124 Ų124135.8 Ų135.876%0.76178%0.779SS**  trans0.6109.3152.8-66.70000118.2
380R34Very low33.8Very low226 Ų226137.1 Ų137.185%0.85378%0.777SS**  51.1118.392.5-74.7-171.3176.8-144.43.9117
381R37.9Very low33.7Very low244 Ų244137 Ų13792%0.92177%0.771SS**  -173.9157.5113.1-100.9162.9-176152.60.7115.3
382N36.7Very low34.2Very low163 Ų163138.2 Ų138.287%0.87279%0.786SS**  trans-82.5174.9-178.8-78.3-21.9000112.7
383A35.2Very low34.1Very low75 Ų75137.9 Ų137.962%0.6279%0.789SS**  cis-176.3163.2-22.900000111.7
384I36.8Very low33.7Very low162 Ų162140.6 Ų140.683%0.83180%0.796SS**  trans43.1118.8150.2-56.9154.1000120
385Q33.8Very low33.8Very low185 Ų185134 Ų13486%0.86479%0.788SS**  -178.2156.2129.3-98.1-177.335.900108
386S28.5Very low34Very low105 Ų105138.8 Ų138.873%0.73479%0.789SS**  cis-155.5-171.4-18.662.90000109.3
387S30.5Very low33.7Very low99 Ų99144.3 Ų144.369%0.69280%0.795SS**  trans-64.9149.2-176.1-55.10000115.1
388Y34.3Very low33.2Very low224 Ų224147.1 Ų147.188%0.87879%0.794SS**  trans161.4104.7130.4-85.5-65.4000107.1
389S31.2Very low33.8Very low108 Ų108153 Ų15376%0.75580%0.799SS**  74.712371.1-163.10000114.8
390S28.1Very low34.3Very low100 Ų100152.6 Ų152.670%0.69980%0.798SS**  trans75.1112.5151.9-158.20000121.2
391S31.1Very low34.1Very low98 Ų98147.6 Ų147.669%0.68580%0.798SS**  80154.3128.466.50000122.1
392V38.1Very low33.7Very low144 Ų144140.5 Ų140.587%0.87379%0.792SS**  trans70.2139.9171.4-163.60000114.6
393G33Very low33.8Very low60 Ų60138.2 Ų138.262%0.61979%0.786SS**  cis145.989.8-800000114.1
394L38.9Very low33.4Very low179 Ų179140.3 Ų140.394%0.93780%0.796SS**  trans19.599.3154.9-66.7164.9000120.5
395S32.9Very low32.9Very low107 Ų107138 Ų13875%0.74879%0.794SS**  trans-178.5129.7141.639.40000109.9
396Q35.5Very low33.2Very low177 Ų177135.1 Ų135.183%0.82779%0.792SS**  64.399.570.6-66.1-91.50.300114.5
397W29.5Very low33Very low250 Ų250137.3 Ų137.395%0.94779%0.794SS**  trans-161.1178.1136.2-147.6-108.5000113.8
398K31.4Very low32.7Very low187 Ų187137.6 Ų137.681%0.81380%0.796SS**  trans-111.2164.6-177.1-90.3-170.6169.5-168.40114.1
399K40.6Very low32.4Very low196 Ų196131.8 Ų131.885%0.85279%0.789SS**  trans-51.3167.4158.8-63.2179.9-179.5-174.90112.5
400P43.5Very low32.3Very low115 Ų115135.4 Ų135.475%0.74780%0.798SS**  cis-152.6-177.233.945-24000120.9
401S29.1Very low32.2Very low122 Ų122137.9 Ų137.985%0.85380%0.799SS**  trans89.8153.7155.6-59.20000120.1
402A30.2Very low32Very low94 Ų94137.9 Ų137.978%0.77780%0.799SS**  trans-121.8-174.6-165.300000112.4
403P37.1Very low31.5Very low115 Ų115136.1 Ų136.175%0.74779%0.793SS**  -153.7173.989.440.4-21.8000118.7
404S28Very low31.2Very low119 Ų119144.3 Ų144.383%0.83281%0.805SS**  trans76.6155.2149.3500000122.9
405S25.8Very low30.7Very low113 Ų113139.8 Ų139.879%0.7979%0.788SS**  trans-114.5177.3-165.3-410000113.5
406P39.9Very low30.5Very low126 Ų126143.3 Ų143.382%0.81879%0.793SS**  -140.5177.9106.619.62.4000112.6
407L24.7Very low30Very low150 Ų150140.9 Ų140.979%0.78579%0.791SS**  cis-171.4136-26.5170.568.6000107.6
408S24.6Very low30.5Very low106 Ų106134 Ų13474%0.74178%0.778SS**  trans59.1155.6166.562.20000118.8
409S26.4Very low30.2Very low102 Ų102134.2 Ų134.271%0.71378%0.782SS**  cis-142.7148-4.929.40000111.6
410L30.3Very low29.8Very low183 Ų183128.6 Ų128.696%0.95878%0.78SS**  trans-123.3150.5147.5-144.975.7000106.5
411E26Very low29.1Very low153 Ų153128.1 Ų128.172%0.71579%0.786SS**  trans-100.8135.4-153.6-176.849.8-116.900114.3
412S26.3Very low29.7Very low97 Ų97127.6 Ų127.668%0.67878%0.782SS**  trans57.6160.6162.2-84.50000119.3
413S26.9Very low29.9Very low108 Ų108131.6 Ų131.676%0.75578%0.781SS**  cis-148.8-178.40.6-152.70000113.6
414R28.6Very low29.7Very low231 Ų231136.7 Ų136.787%0.87279%0.786SS**  trans-50.6166.9164.3-92179.6168.8170.3-5.9114.8
415S28.4Very low29.6Very low84 Ų84137.8 Ų137.859%0.58779%0.787SS**  cis-167.3167.2-0.337.60000113.1
416Q27.6Very low29.9Very low182 Ų182140.1 Ų140.185%0.8578%0.779SS**  trans74.1117.9148-85.6167.4-51.800121.1
417T25.1Very low29.2Very low126 Ų126140.5 Ų140.577%0.77377%0.77SS**  trans-57.4173148.647.90000111.9
418P40.3Very low29.2Very low104 Ų104140.6 Ų140.668%0.67577%0.766SS**  cis-148.1-171.826.442.5-20000118.1
419E24.8Very low29.3Very low193 Ų193142 Ų14290%0.90277%0.765SS**  trans68.1157.1163.4-53.5-169.1-168.100118.1
420G32.3Very low29.5Very low78 Ų78143 Ų14380%0.80476%0.762SS**  cis-153.8160.1100000112.9
421A29.4Very low29.3Very low105 Ų105142.8 Ų142.887%0.86876%0.756SS**  trans-105.9145.6-165.200000115.4
422S40.2Very low29.3Very low110 Ų110140.9 Ų140.977%0.76976%0.759SS**  trans-170.3149152.7540000110.2
423K35.7Very low29.8Very low178 Ų178142 Ų14277%0.77476%0.764SS**  cis-147.7133.6-15-104166.8179.6175.50106
424R32.1Very low29.7Very low223 Ų223141.8 Ų141.884%0.84276%0.763SS**  48134.4103.1-55.7-174.4-171.1178.12.2114.9
425T27Very low29.6Very low141 Ų141135.5 Ų135.587%0.86575%0.754SS**  cis-164.8178.40.910.80000107.5
426R30.7Very low29.5Very low163 Ų163136.3 Ų136.362%0.61577%0.766SS**  cis-132.717013.8176.3177.7-176.6-94.4-10.8111.3E428R426-E428 IonicContact CZ-OE2 3.24Å; R426-E428 VanDerWaalsContact CZ-OE2 3.24Å; R426-E428 IonicContact NH1-OE2 2.82Å; R426-E428 PolarHBondContact NH1-OE2 3.47Å; R426-E428 IonicContact NH2-OE2 3.85Å; R426-E428 PolarHBondContact NH2-OE2 2.85Å
427E25.8Very low29.5Very low134 Ų134133 Ų13363%0.62676%0.763SS**  trans-49165.6159.1-45.2145118.700117.3
428E25.8Very low29.6Very low152 Ų152132.6 Ų132.671%0.7177%0.765SS**  trans65.2148.8157.9-70.6178.6136.500119.6R426R426-E428 IonicContact CZ-OE2 3.24Å; R426-E428 VanDerWaalsContact CZ-OE2 3.24Å; R426-E428 IonicContact NH1-OE2 2.82Å; R426-E428 PolarHBondContact NH1-OE2 3.47Å; R426-E428 IonicContact NH2-OE2 3.85Å; R426-E428 PolarHBondContact NH2-OE2 2.85Å
429D26.5Very low29.1Very low135 Ų135134.1 Ų134.172%0.72277%0.772SS**  cis-163.6-178.8-19.7-177.228.4000108.1
430I29.4Very low29.5Very low123 Ų123136.3 Ų136.363%0.63177%0.772SS**  trans75.698.9160.9-46.9-176000118.3
431Q27.4Very low29.3Very low178 Ų178137.4 Ų137.483%0.83277%0.768SS**  40.8139.9124.5-51176.718.100123.4
432S25.1Very low29.2Very low114 Ų114140 Ų14080%0.79777%0.767SS**  trans-11.7148.6149-45.70000119.1
433P37.8Very low28.9Very low119 Ų119143.8 Ų143.877%0.77377%0.772SS**  -157.11738342.2-22.7000119.9
434S23.5Very low28.8Very low104 Ų104142.1 Ų142.173%0.72778%0.777SS**  trans32.6111.8144.6-61.70000124.4
435S27.3Very low28.6Very low99 Ų99140.3 Ų140.369%0.69278%0.781SS**  31.1118.1112.9-58.80000123.1
436A26.8Very low28.6Very low101 Ų101138.4 Ų138.484%0.83577%0.773SS**  92.7151.8117.400000122.3
437S26.7Very low28.2Very low114 Ų114137.6 Ų137.680%0.79778%0.776SS**  trans74.3137.4174-154.10000117.5
438S27.3Very low28.4Very low117 Ų117139 Ų13982%0.81878%0.78SS**  trans-143.897.5167.9176.50000107.6
439V30.1Very low28.5Very low135 Ų135137.7 Ų137.782%0.81878%0.782SS**  trans-82.4136.8167.1175.70000107.1
440R32.1Very low29Very low239 Ų239136 Ų13690%0.90278%0.779SS**  trans-106.7123.4-171.4-175.3-162-167.6-140.74.9111.6
441S28.8Very low28.7Very low101 Ų101136.9 Ų136.971%0.70679%0.785SS**  trans-165.9133.2151.7540000110.7
442D26.7Very low28.7Very low160 Ų160134 Ų13486%0.85678%0.78SS**  trans-157.9150.1140-98.4-32.3000108.9
443H35.1Very low28.7Very low190 Ų190133.1 Ų133.188%0.8877%0.773SS**  trans-137.4154.6170.9-105-82.3000108.5
444T33.3Very low28.2Very low143 Ų143136.3 Ų136.388%0.87778%0.775SS**  trans-74.6160.5-167.346.50000115.1
445M28.4Very low28.4Very low185 Ų185139.7 Ų139.791%0.91178%0.78SS**  trans-101.5171.2-169.8179.7171.7168.500113.8
446S27.3Very low28.2Very low101 Ų101140.6 Ų140.671%0.70678%0.781SS**  trans80.9142-179.7-1090000116.2
447E22.2Very low28.4Very low146 Ų146141 Ų14168%0.68278%0.775SS**  cis-153.7165.70.5-153.2-170.7113.700112.3
448K28.9Very low28.4Very low164 Ų164141 Ų14171%0.71377%0.77SS**  trans66.995.5162.4-84.9-173.2177.276.60122.6
449T28.7Very low28.5Very low123 Ų123141.3 Ų141.376%0.75577%0.769SS**  14.3159.5113.252.20000122.4
450P36.2Very low28.3Very low100 Ų100143.8 Ų143.865%0.64977%0.769SS**  cis-140-177-6.235.5-13.8000117.2
451D23.4Very low28.5Very low142 Ų142139 Ų13976%0.75977%0.766SS**  trans68.3149.8151.8-63.3-36.4000121.1
452T27.3Very low28.7Very low118 Ų118138.7 Ų138.772%0.72476%0.762SS**  cis-145.2119.48.6-18.10000114.9
453S24.8Very low29Very low94 Ų94136.3 Ų136.366%0.65775%0.753SS**  trans60142.1138.582.50000126.4
454K27.7Very low28.9Very low186 Ų186130.3 Ų130.381%0.80973%0.729SS**  trans73.3107.9155.7-41.4-161-175.6-177.20118.3
455Q27.9Very low28.5Very low176 Ų176129.1 Ų129.182%0.82272%0.722SS**  78.3110.853.6-160-162.76.900111.9
456T23.6Very low28.4Very low117 Ų117126.4 Ų126.472%0.71872%0.716SS**  164.8163.788.2-44.90000108.4
457P30.4Very low28.4Very low111 Ų111130.3 Ų130.372%0.72172%0.715SS**  cis-123.5155.8-46.438.3-23.2000116.8
458V26.5Very low28.6Very low114 Ų114128.6 Ų128.669%0.69171%0.711SS**  trans-2.8151.3130.2166.30000118.7
459P29.8Very low28.4Very low123 Ų123126.8 Ų126.880%0.79972%0.719SS**  cis-134.5-169.221.227.2-2.8000117.3
460K25.4Very low28.5Very low186 Ų186127.3 Ų127.381%0.80972%0.722SS**  cis169.4127.7-46.4-159.9166.3-169.1175.20109.2
461V37.2Very low28.1Very low139 Ų139126 Ų12684%0.84273%0.727SS**  trans-135.9147.9-177.6-178.30000110.5
462P32.1Very low28.6Very low95 Ų95125.4 Ų125.462%0.61773%0.734SS**  trans-130.4169.1173.339.8-26.1000117.8
463V32.7Very low29Very low110 Ų110123.3 Ų123.367%0.66774%0.736SS**  trans-162.1145.5-171.8138.90000108
464T33.8Very low29.8Very low63 Ų63122.3 Ų122.339%0.38774%0.74SS.*  cis-158.4142.5-15.9-76.20000110.5Q833 L834T464-Q833 PolarHBondContact OG1-OE1 3.35Å; T464-L834 HydrophobicContact CG2-CD1 3.95Å; T464-L834 WeakPolarHBondContact OG1-CD1 3.32Å
465T25.1Very low31.1Very low118 Ų118123.9 Ų123.972%0.72475%0.747SS**  trans-145.9167.9179.852.80000115.2
466T26.2Very low32.5Very low128 Ų128126.8 Ų126.879%0.78575%0.75SS**  trans-148.2167-161.3-470000113.1
467R26.5Very low34Very low183 Ų183131.6 Ų131.669%0.69176%0.761SS**  trans86151.7170.3-55.8-167.278.5161.6-1115.7
468D25.8Very low35.4Very low111 Ų111138 Ų13859%0.59477%0.771SS**  cis-158.6165.7-11-115.314.2000110.7
469S26.5Very low37.1Very low125 Ų125141.7 Ų141.787%0.87478%0.778SS**  trans-154.4155.4148.3-162.30000112
470T30.1Very low39Very low135 Ų135142.5 Ų142.583%0.82877%0.774SS**  trans-120139.9-153.8-670000112.8
471G27.1Very low40.8Very low72 Ų72140.1 Ų140.174%0.74277%0.766SS**  trans173.5122.1169.600000116.9
472S33.3Very low42Very low130 Ų130141 Ų14191%0.90977%0.765SS**  trans-40.2150.7164.4-170.70000114.2
473G36.7Very low43.5Very low74 Ų74140.7 Ų140.776%0.76376%0.761SS**  cis141.566.31000000111.3
474G40.7Very low44.6Very low73 Ų73138.6 Ų138.675%0.75375%0.751SS**  trans-153.8136-176.100000114R476G474-R476 PolarHBondContact O-N 3.23Å; G474-R476 VanDerWaalsContact O-N 3.17Å
475K56.8Low45.5Very low219 Ų219140.4 Ų140.495%0.95277%0.767SS**  trans-81.792.5-170.6-61.4-173-177.9-173.60113.1
476R55.9Low47Very low236 Ų236140.3 Ų140.389%0.89176%0.761SS**  trans-135.4148161.6-77.5-171.1167.5-175.6-3.9111.3G474 R478G474-R476 PolarHBondContact O-N 3.23Å; G474-R476 VanDerWaalsContact O-N 3.17Å; R476-R478 PolarHBondContact O-N 2.84Å
477K56.1Low48.4Very low218 Ų218145.6 Ų145.695%0.94877%0.767SS**PPolyproline II helixtrans-67.6125.1177.4-67.5-167.7175.6-169.10109.4
478R60.3Low49.8Very low246 Ų246143.8 Ų143.893%0.92877%0.771SS**PPolyproline II helixtrans-77.9126.2173.1-55.9-173.3-166.2-1704.9108.7R476R476-R478 PolarHBondContact O-N 2.84Å
479K62Low51.2Low192 Ų192142.4 Ų142.484%0.83576%0.764SS**PPolyproline II helixtrans-76.5118.9166.6179.8-173.7176.5-168.90106.7Q481K479-Q481 PolarHBondContact O-N 3.43Å
480I69.3Low52.8Low140 Ų140145.5 Ų145.572%0.71876%0.764SS**PPolyproline II helixtrans-69.3128.8170.2-54.5175.9000106.9L482I480-L482 HydrophobicContact CG2-CD2 4.02Å
481Q62Low54.5Low136 Ų136144.3 Ų144.364%0.63675%0.752SS**  trans-97.4115.4176.6-174.5157.2-20.400107.7K479K479-Q481 PolarHBondContact O-N 3.43Å
482L63.8Low56.2Low158 Ų158146.5 Ų146.583%0.82776%0.756SS**  trans-87.9-1.1-165.8-63.8173.4000114.2I480I480-L482 HydrophobicContact CG2-CD2 4.02Å
483V62.4Low58Low88 Ų88146.8 Ų146.853%0.53375%0.746SS.*SBendtrans-144.4147.5-179.9-168.50000108.8I491V483-I491 HydrophobicContact CG1-CD1 4.42Å
484S55.9Low59.5Low65 Ų65148.4 Ų148.446%0.45574%0.743SS.*  trans-51.6147.9167.134.50000111.3N486 D489S484-N486 VanDerWaalsContact C-N 3.31Å; S484-D489 PolarHBondContact OG-OD2 3.46Å
485S53.6Low61Low102 Ų102150.4 Ų150.471%0.71374%0.743SS**  trans-97.426.8176.8-167.50000112.5
486N57Low61.5Low115 Ų115145.2 Ų145.262%0.61573%0.732SS**  trans-84.2139.3175.9-62.8-15.5000108.4S484 D488S484-N486 VanDerWaalsContact C-N 3.31Å; N486-D488 VanDerWaalsContact C-N 3.31Å; N486-D488 PolarHBondContact O-N 2.87Å
487R55.1Low62.1Low240 Ų240139.8 Ų139.891%0.90673%0.727SS**SBendtrans-86.2-5.1-166.9-129.6175.9-176.4171.9-0.8114.5
488D54.8Low62.7Low144 Ų144137.2 Ų137.277%0.7772%0.719SS**  trans-125.13.1-165.6-48-81.3000112.6N486 Q490N486-D488 VanDerWaalsContact C-N 3.31Å; N486-D488 PolarHBondContact O-N 2.87Å; D488-Q490 PolarHBondContact O-N 3.41Å
489D55.3Low62.7Low82 Ų82134.8 Ų134.844%0.43972%0.723SS.*  trans-6692.7168.8-86.1-33.7000109.3S484 I491S484-D489 PolarHBondContact OG-OD2 3.46Å; D489-I491 PolarHBondContact O-N 3.48Å
490Q61.2Low62.7Low190 Ų190127.9 Ų127.989%0.88871%0.707SS**  trans-72.273171.9-69-166.231.900111.1D488 S492D488-Q490 PolarHBondContact O-N 3.41Å; Q490-S492 PolarHBondContact O-N 3.26Å
491I64.7Low62.2Low110 Ų110131.5 Ų131.556%0.56471%0.713SS**  trans-68.778.7171.648163.7000111V483 D489 L493V483-I491 HydrophobicContact CG1-CD1 4.42Å; D489-I491 PolarHBondContact O-N 3.48Å; I491-L493 VanDerWaalsContact C-N 3.35Å; I491-L493 PolarHBondContact O-N 2.85Å
492S62.8Low62.6Low119 Ų119130.9 Ų130.983%0.83272%0.718SS**  trans-63.195.9167.4-171.10000109.1Q490Q490-S492 PolarHBondContact O-N 3.26Å
493L71.4Confident63.1Low135 Ų135128.7 Ų128.771%0.70771%0.706SS**PPolyproline II helixtrans-64.1142.6174.3-62.4175.9000109.1I491I491-L493 VanDerWaalsContact C-N 3.35Å; I491-L493 PolarHBondContact O-N 2.85Å
494P68.3Low64.2Low108 Ų108128 Ų12870%0.70170%0.702SS**PPolyproline II helixtrans-57.6147.8166.227.8-34.4000109.2
495P71.6Confident65.6Low116 Ų116128.5 Ų128.575%0.75371%0.71SS**PPolyproline II helixtrans-55.2140.8175.724.4-33.7000109.7
496P68.8Low67.3Low110 Ų110132.5 Ų132.571%0.71471%0.71SS**PPolyproline II helixtrans-59.6137.4-178.825.8-34.1000109.5E498P496-E498 PolarHBondContact O-N 3.32Å
497P67.8Low68.9Low121 Ų121131.2 Ų131.279%0.78670%0.703SS**PPolyproline II helixtrans-58.5126.5178.325.1-33.8000109L499P497-L499 PolarHBondContact O-N 3.02Å
498E68.6Low70.7Confident165 Ų165123.6 Ų123.677%0.77168%0.68SS**PPolyproline II helixtrans-63.4122.6-170.7-64-170.5163.300110.7P496 G500P496-E498 PolarHBondContact O-N 3.32Å; E498-G500 PolarHBondContact O-N 3.04Å
499L60.8Low72.6Confident194 Ų194120.5 Ų120.5100%1.01666%0.663SS**THydrogen-bonded Turntrans-74.746.9169.5-74.4156.3000110.1P497P497-L499 PolarHBondContact O-N 3.02Å
500G61.3Low74.4Confident48 Ų48120.8 Ų120.850%0.49567%0.665SS.*THydrogen-bonded Turntrans-129.90.4-162.300000115E498 T502E498-G500 PolarHBondContact O-N 3.04Å; G500-T502 PolarHBondContact O-N 2.92Å
501Y60Low76Confident215 Ų215118.1 Ų118.184%0.84365%0.652SS**  trans-62.9104.1165.9-68.9-68.5000109.1I503Y501-I503 PolarHBondContact O-N 3.42Å
502T68.5Low77.4Confident123 Ų123118.4 Ų118.476%0.75565%0.649SS**  trans-6896.3172.144.60000108.3G500 T504G500-T502 PolarHBondContact O-N 2.92Å; T502-T504 VanDerWaalsContact O-CG2 3.28Å; T502-T504 WeakPolarHBondContact O-CG2 3.34Å; T502-T504 PolarHBondContact O-N 3.4Å
503I75.9Confident78.9Confident113 Ų113120 Ų12058%0.57964%0.641SS**  trans-52.3105.3177.7-60.6173.2000108.3Y501 D507 L508Y501-I503 PolarHBondContact O-N 3.42Å; I503-D507 HydrophobicContact CG2-CB 4.38Å; I503-L508 HydrophobicContact CG2-CD1 4.28Å; I503-L508 HydrophobicContact CG2-CD2 3.71Å; I503-L508 HydrophobicContact CG2-CG 3.65Å
504T84.1Confident80Confident73 Ų73115.6 Ų115.645%0.44863%0.625SS.*  trans-81160.6-177.7690000109.8T502 R506 D507 L508T502-T504 VanDerWaalsContact O-CG2 3.28Å; T502-T504 WeakPolarHBondContact O-CG2 3.34Å; T502-T504 PolarHBondContact O-N 3.4Å; T504-R506 PolarHBondContact O-N 3.33Å; T504-R506 VanDerWaalsContact O-N 3.14Å; T504-R506 PolarHBondContact OG1-N 3.45Å; T504-D507 WeakPolarHBondContact O-CB 3.32Å; T504-D507 PolarHBondContact O-N 3.11Å; T504-D507 VanDerWaalsContact O-N 3.07Å; T504-D507 PolarHBondContact OG1-N 2.99Å; T504-D507 VanDerWaalsContact OG1-N 3.11Å; T504-L508 PolarHBondContact O-N 2.86Å; T504-L508 VanDerWaalsContact O-N 3.15Å
505A86.1Confident81.2Confident75 Ų75112.5 Ų112.562%0.6261%0.608SS**Hα-helixtrans-56.5-30.1171.800000112.2D509A505-D509 WeakPolarHBondContact O-CB 3.3Å; A505-D509 PolarHBondContact O-N 3.42Å
506R88.6Confident82.3Confident186 Ų186111.5 Ų111.570%0.70260%0.596SS**Hα-helixtrans-68.6-43.4174.9-176.3173.8-170.11446.6112.5T504 L508 D509 D510T504-R506 PolarHBondContact O-N 3.33Å; T504-R506 VanDerWaalsContact O-N 3.14Å; T504-R506 PolarHBondContact OG1-N 3.45Å; R506-L508 VanDerWaalsContact C-N 3.33Å; R506-L508 PolarHBondContact O-N 2.91Å; R506-D509 PolarHBondContact O-N 3.41Å; R506-D510 WeakPolarHBondContact CG-OD2 3.42Å; R506-D510 IonicContact NE-OD2 3.68Å; R506-D510 WeakPolarHBondContact O-CB 3.38Å; R506-D510 PolarHBondContact O-N 2.84Å
507D92Very high83.3Confident88 Ų88109.5 Ų109.547%0.47158%0.584SS.*Hα-helixtrans-60.1-43.4177.3-167.637.4000111.1I503 T504 D510 E511I503-D507 HydrophobicContact CG2-CB 4.38Å; T504-D507 WeakPolarHBondContact O-CB 3.32Å; T504-D507 PolarHBondContact O-N 3.11Å; T504-D507 VanDerWaalsContact O-N 3.07Å; T504-D507 PolarHBondContact OG1-N 2.99Å; T504-D507 VanDerWaalsContact OG1-N 3.11Å; D507-D510 PolarHBondContact O-N 2.86Å; D507-E511 WeakPolarHBondContact O-CB 3.47Å; D507-E511 PolarHBondContact O-N 3.08Å
508L92.5Very high84.6Confident81 Ų81110.6 Ų110.642%0.42458%0.576SS.*Hα-helixtrans-63.3-42.8172.3-67.4172.8000112.9I503 T504 R506 K512I503-L508 HydrophobicContact CG2-CD1 4.28Å; I503-L508 HydrophobicContact CG2-CD2 3.71Å; I503-L508 HydrophobicContact CG2-CG 3.65Å; T504-L508 PolarHBondContact O-N 2.86Å; T504-L508 VanDerWaalsContact O-N 3.15Å; R506-L508 VanDerWaalsContact C-N 3.33Å; R506-L508 PolarHBondContact O-N 2.91Å; L508-K512 WeakPolarHBondContact O-CB 3.5Å; L508-K512 VanDerWaalsContact O-CD 3.25Å; L508-K512 WeakPolarHBondContact O-CD 3.38Å; L508-K512 VanDerWaalsContact O-CG 3.23Å; L508-K512 WeakPolarHBondContact O-CG 3.25Å; L508-K512 PolarHBondContact O-N 3.42Å
509D93.8Very high85.7Confident78 Ų78107.7 Ų107.742%0.41757%0.565SS.*Hα-helixtrans-71-36.3179.2-83.4-23.3000112.2A505 R506 K512 K513A505-D509 WeakPolarHBondContact O-CB 3.3Å; A505-D509 PolarHBondContact O-N 3.42Å; R506-D509 PolarHBondContact O-N 3.41Å; D509-K512 PolarHBondContact O-N 2.84Å; D509-K512 IonicContact OD1-NZ 2.65Å; D509-K512 PolarHBondContact OD1-NZ 3.34Å; D509-K513 WeakPolarHBondContact O-CB 3.42Å; D509-K513 WeakPolarHBondContact O-CG 3.31Å; D509-K513 PolarHBondContact O-N 3.41Å
510D94.3Very high87Confident88 Ų88104.3 Ų104.347%0.47154%0.544SS..Hα-helixtrans-68.3-38.1173.7-72.6-29.8000110.9R506 D507 K513 A514R506-D510 WeakPolarHBondContact CG-OD2 3.42Å; R506-D510 IonicContact NE-OD2 3.68Å; R506-D510 WeakPolarHBondContact O-CB 3.38Å; R506-D510 PolarHBondContact O-N 2.84Å; D507-D510 PolarHBondContact O-N 2.86Å; D510-K513 PolarHBondContact O-N 3.47Å; D510-A514 VanDerWaalsContact O-CB 3.31Å; D510-A514 WeakPolarHBondContact O-CB 3.47Å; D510-A514 PolarHBondContact O-N 2.96Å
511E93.3Very high88.5Confident134 Ų134109.7 Ų109.763%0.62655%0.554SS**Hα-helixtrans-60.6-48.6168.3-173.1-173-163.800111.3D507 K513 A514 A515D507-E511 WeakPolarHBondContact O-CB 3.47Å; D507-E511 PolarHBondContact O-N 3.08Å; E511-K513 VanDerWaalsContact C-N 3.34Å; E511-K513 PolarHBondContact O-N 3.2Å; E511-A514 CarbonylContact O-C 3.54Å; E511-A514 PolarHBondContact O-N 3.33Å; E511-A515 WeakPolarHBondContact O-CB 3.26Å; E511-A515 PolarHBondContact O-N 3.48Å
512K94.6Very high89.8Confident116 Ų116104.9 Ų104.950%0.50455%0.547SS..Hα-helixtrans-63-38.4179.2-75.7155.957.9-1580111.9L508 D509 A515 I516L508-K512 WeakPolarHBondContact O-CB 3.5Å; L508-K512 VanDerWaalsContact O-CD 3.25Å; L508-K512 WeakPolarHBondContact O-CD 3.38Å; L508-K512 VanDerWaalsContact O-CG 3.23Å; L508-K512 WeakPolarHBondContact O-CG 3.25Å; L508-K512 PolarHBondContact O-N 3.42Å; D509-K512 PolarHBondContact O-N 2.84Å; D509-K512 IonicContact OD1-NZ 2.65Å; D509-K512 PolarHBondContact OD1-NZ 3.34Å; K512-A515 PolarHBondContact O-N 3.3Å; K512-I516 WeakPolarHBondContact O-CB 3.3Å; K512-I516 WeakPolarHBondContact O-CD1 2.85Å; K512-I516 VanDerWaalsContact O-CG1 3.24Å; K512-I516 WeakPolarHBondContact O-CG1 3.47Å; K512-I516 PolarHBondContact O-N 2.99Å
513K94.9Very high90.2Very high152 Ų152105.2 Ų105.266%0.66154%0.543SS*.Hα-helixtrans-65.2-44.1173.1-70.9-77-179.3176.50111D509 D510 E511 A515 I516 S517D509-K513 WeakPolarHBondContact O-CB 3.42Å; D509-K513 WeakPolarHBondContact O-CG 3.31Å; D509-K513 PolarHBondContact O-N 3.41Å; D510-K513 PolarHBondContact O-N 3.47Å; E511-K513 VanDerWaalsContact C-N 3.34Å; E511-K513 PolarHBondContact O-N 3.2Å; K513-A515 PolarHBondContact O-N 2.87Å; K513-I516 PolarHBondContact O-N 2.9Å; K513-S517 WeakPolarHBondContact O-CB 3.12Å; K513-S517 PolarHBondContact O-N 2.84Å
514A94.3Very high89.7Confident44 Ų44107.1 Ų107.136%0.36455%0.55SS..Hα-helixtrans-64.9-37.1175.600000112.5D510 E511 K518D510-A514 VanDerWaalsContact O-CB 3.31Å; D510-A514 WeakPolarHBondContact O-CB 3.47Å; D510-A514 PolarHBondContact O-N 2.96Å; E511-A514 CarbonylContact O-C 3.54Å; E511-A514 PolarHBondContact O-N 3.33Å; A514-K518 WeakPolarHBondContact O-CB 3.45Å; A514-K518 WeakPolarHBondContact O-CD 3.33Å; A514-K518 WeakPolarHBondContact O-CG 3.43Å; A514-K518 PolarHBondContact O-N 3.05Å
515A94.3Very high87.7Confident43 Ų43109 Ų10936%0.35556%0.562SS.*Hα-helixtrans-67-47.5175.300000111.7E511 K512 K513 K518 I519E511-A515 WeakPolarHBondContact O-CB 3.26Å; E511-A515 PolarHBondContact O-N 3.48Å; K512-A515 PolarHBondContact O-N 3.3Å; K513-A515 PolarHBondContact O-N 2.87Å; A515-K518 PolarHBondContact O-N 3.35Å; A515-I519 VanDerWaalsContact O-CG1 3.31Å; A515-I519 WeakPolarHBondContact O-CG1 3.35Å; A515-I519 PolarHBondContact O-N 2.7Å
516I93.3Very high86Confident95 Ų95111.5 Ų111.549%0.48757%0.571SS.*Hα-helixtrans-63-43.2176-68.1165.1000110.6K512 K513 K518 I519 Q520K512-I516 WeakPolarHBondContact O-CB 3.3Å; K512-I516 WeakPolarHBondContact O-CD1 2.85Å; K512-I516 VanDerWaalsContact O-CG1 3.24Å; K512-I516 WeakPolarHBondContact O-CG1 3.47Å; K512-I516 PolarHBondContact O-N 2.99Å; K513-I516 PolarHBondContact O-N 2.9Å; I516-K518 PolarHBondContact O-N 2.66Å; I516-I519 PolarHBondContact O-N 3.28Å; I516-I519 VanDerWaalsContact O-N 3.16Å; I516-Q520 HydrophobicContact CG2-CG 4.44Å; I516-Q520 WeakPolarHBondContact O-CG 3.28Å; I516-Q520 PolarHBondContact O-N 3Å
517S91.1Very high83.5Confident68 Ų68107.2 Ų107.248%0.47658%0.576SS.*Hα-helixtrans-61.9-41.7175.8176.50000112.5K513 I519 Q520 K521K513-S517 WeakPolarHBondContact O-CB 3.12Å; K513-S517 PolarHBondContact O-N 2.84Å; S517-I519 VanDerWaalsContact C-N 3.34Å; S517-I519 PolarHBondContact O-N 2.92Å; S517-Q520 PolarHBondContact O-N 3.15Å; S517-K521 VanDerWaalsContact O-CB 3.31Å; S517-K521 WeakPolarHBondContact O-CB 3.4Å; S517-K521 PolarHBondContact O-N 3.47Å
518K94.1Very high80.8Confident143 Ų143108.6 Ų108.662%0.62259%0.592SS**Hα-helixtrans-61.2-41.3172.2-75.7164.5-175171.30111.9A514 A515 I516 V522A514-K518 WeakPolarHBondContact O-CB 3.45Å; A514-K518 WeakPolarHBondContact O-CD 3.33Å; A514-K518 WeakPolarHBondContact O-CG 3.43Å; A514-K518 PolarHBondContact O-N 3.05Å; A515-K518 PolarHBondContact O-N 3.35Å; I516-K518 PolarHBondContact O-N 2.66Å; K518-V522 WeakPolarHBondContact O-CB 3.24Å; K518-V522 VanDerWaalsContact O-CG2 3.28Å; K518-V522 WeakPolarHBondContact O-CG2 3.46Å; K518-V522 PolarHBondContact O-N 3.05Å; K518-V522 VanDerWaalsContact O-N 3.07Å
519I92Very high77.8Confident104 Ų104113.7 Ų113.753%0.53361%0.614SS.*Hα-helixtrans-65.3-47.8176.6-68.7163.8000110.3A515 I516 S517 K521 V522 L523A515-I519 VanDerWaalsContact O-CG1 3.31Å; A515-I519 WeakPolarHBondContact O-CG1 3.35Å; A515-I519 PolarHBondContact O-N 2.7Å; I516-I519 PolarHBondContact O-N 3.28Å; I516-I519 VanDerWaalsContact O-N 3.16Å; S517-I519 VanDerWaalsContact C-N 3.34Å; S517-I519 PolarHBondContact O-N 2.92Å; I519-K521 PolarHBondContact O-N 3.21Å; I519-V522 PolarHBondContact O-N 3.04Å; I519-V522 VanDerWaalsContact O-N 3.14Å; I519-L523 HydrophobicContact CG2-CD1 4.09Å; I519-L523 WeakPolarHBondContact O-CD1 3.42Å; I519-L523 PolarHBondContact O-N 3.3Å
520Q88.9Confident75.4Confident124 Ų124115.7 Ų115.758%0.57963%0.631SS**Hα-helixtrans-56.8-50175.7-71.9-179.1-91.900111.2I516 S517 V522 L523 E524I516-Q520 HydrophobicContact CG2-CG 4.44Å; I516-Q520 WeakPolarHBondContact O-CG 3.28Å; I516-Q520 PolarHBondContact O-N 3Å; S517-Q520 PolarHBondContact O-N 3.15Å; Q520-V522 PolarHBondContact O-N 2.78Å; Q520-L523 CarbonylContact O-C 3.54Å; Q520-L523 PolarHBondContact O-N 3Å; Q520-E524 WeakPolarHBondContact O-CB 3.47Å; Q520-E524 PolarHBondContact O-N 3.48Å
521K92.4Very high72.4Confident161 Ų161118.6 Ų118.670%0.764%0.642SS**Hα-helixtrans-62.6-22178.2-176.2167.4-178.4169.80114.4S517 I519S517-K521 VanDerWaalsContact O-CB 3.31Å; S517-K521 WeakPolarHBondContact O-CB 3.4Å; S517-K521 PolarHBondContact O-N 3.47Å; I519-K521 PolarHBondContact O-N 3.21Å
522V86.9Confident69.3Low114 Ų114119.6 Ų119.669%0.69164%0.644SS**Hα-helixtrans-87.3-29.2173.4168.40000112K518 I519 Q520 E524K518-V522 WeakPolarHBondContact O-CB 3.24Å; K518-V522 VanDerWaalsContact O-CG2 3.28Å; K518-V522 WeakPolarHBondContact O-CG2 3.46Å; K518-V522 PolarHBondContact O-N 3.05Å; K518-V522 VanDerWaalsContact O-N 3.07Å; I519-V522 PolarHBondContact O-N 3.04Å; I519-V522 VanDerWaalsContact O-N 3.14Å; Q520-V522 PolarHBondContact O-N 2.78Å; V522-E524 VanDerWaalsContact C-N 3.35Å
523L77.4Confident66Low130 Ų130118.7 Ų118.768%0.68165%0.652SS**Hα-helixtrans-78.6-20.4171.1-90.366.5000112.5I519 Q520 T525I519-L523 HydrophobicContact CG2-CD1 4.09Å; I519-L523 WeakPolarHBondContact O-CD1 3.42Å; I519-L523 PolarHBondContact O-N 3.3Å; Q520-L523 CarbonylContact O-C 3.54Å; Q520-L523 PolarHBondContact O-N 3Å; L523-T525 PolarHBondContact O-N 2.87Å
524E64.9Low62.7Low152 Ų152119.8 Ų119.871%0.7166%0.662SS**  trans-75.261.1176.9-162.8161-154.300111.8Q520 V522Q520-E524 WeakPolarHBondContact O-CB 3.47Å; Q520-E524 PolarHBondContact O-N 3.48Å; V522-E524 VanDerWaalsContact C-N 3.35Å
525T41.7Very low59.8Low114 Ų114122.8 Ų122.870%0.69968%0.678SS**  trans-69135.5161.8-58.90000107.9L523 A527L523-T525 PolarHBondContact O-N 2.87Å; T525-A527 PolarHBondContact O-N 3.09Å; T525-A527 VanDerWaalsContact O-N 3.11Å
526P51.2Low57.3Low126 Ų126126.2 Ų126.282%0.81870%0.697SS**  trans-65.2114-158.223.1-35.1000113.8
527A36Very low54.1Low97 Ų97131.1 Ų131.180%0.80272%0.717SS**PPolyproline II helixtrans-81.3139.3154.500000108.8T525T525-A527 PolarHBondContact O-N 3.09Å; T525-A527 VanDerWaalsContact O-N 3.11Å
528S33.9Very low50.9Low117 Ų117132 Ų13282%0.81873%0.729SS**PPolyproline II helixtrans-68.9147.9-175.850.30000113.6
529E31Very low47.7Very low187 Ų187131 Ų13187%0.87474%0.74SS**PPolyproline II helixtrans-56.1137.3176.6-174.7170.1-143.400113.6
530P43.1Very low44.5Very low120 Ų120132.4 Ų132.478%0.77975%0.753SS**  trans-105.3128.2179.236.1-29.9000114
531E31.5Very low41.5Very low150 Ų150130 Ų13070%0.70175%0.75SS**  trans-114.4128.6172.9-104.6-81.3128.100112.6
532K27.9Very low38.3Very low154 Ų154127.2 Ų127.267%0.6775%0.747SS**  trans46.796.1157.1-70.3-175.1-172.1700122.9
533S26.2Very low35.4Very low97 Ų97130.5 Ų130.568%0.67876%0.755SS**  38.2115.3113.566.50000122.9
534M24.5Very low33.3Very low176 Ų176129.5 Ų129.587%0.86776%0.756SS**  61.8155.9121-88.3-177.970.400122.9
535P34Very low31.3Very low106 Ų106127.3 Ų127.369%0.68876%0.764SS**  cis-130.6-136.8-18.147.2-28.3000111.3
536P41.8Very low30.8Very low116 Ų116126.6 Ų126.675%0.75377%0.769SS**  trans-120163.5-147.441.5-22.5000116.6
537E25.5Very low30.4Very low198 Ų198126 Ų12693%0.92577%0.765SS**  trans-156.5166.3141.4-134.1168.3-141.100112.4
538A25.1Very low30.1Very low86 Ų86128 Ų12871%0.71177%0.768SS**  trans-114.1146.3174.500000109.7
539S25.1Very low29.9Very low122 Ų122126.1 Ų126.185%0.85376%0.759SS**  trans-157.9149.4159.1-93.50000113.7
540T25.9Very low29.9Very low134 Ų134123 Ų12382%0.82275%0.754SS**  trans-78.3162.3-177.440.30000113.8T542T540-T542 PolarHBondContact O-N 3.45Å
541S25.4Very low29.3Very low74 Ų74125 Ų12552%0.51776%0.757SS.*  trans-31.8124.2156.9168.60000115.2F995S541-F995 WeakPolarHBondContact OG-CE1 3.37Å; S541-F995 WeakPolarHBondContact OG-CZ 2.94Å
542T25.4Very low29Very low102 Ų102123.1 Ų123.163%0.62676%0.76SS**  38.6116.3126.4-39.40000119.4T540T540-T542 PolarHBondContact O-N 3.45Å
543Q26.3Very low29Very low183 Ų183120.6 Ų120.686%0.85576%0.762SS**  -165.7133.8117-176.3165.7-24.300111.8
544P32.3Very low29.1Very low109 Ų109123.5 Ų123.571%0.70877%0.769SS**  trans-93.2163.7169.937.1-34.6000112.9
545A23.6Very low29.4Very low106 Ų106123.2 Ų123.288%0.87677%0.77SS**  trans-143.8130.4167.900000111.7
546A30.3Very low29Very low98 Ų98122.1 Ų122.181%0.8177%0.77SS**  trans-143.9139.616800000108.3
547P43.9Very low28.3Very low113 Ų113121.2 Ų121.273%0.73477%0.772SS**  trans-103.9141.6-168.336.9-32.8000114.9
548T29.2Very low29.2Very low140 Ų140117.5 Ų117.586%0.85977%0.765SS**  trans63.4142.7152410000119.5
549A30.6Very low29.3Very low77 Ų77120.6 Ų120.664%0.63677%0.769SS**  cis-159.8168.5-3.400000113.8
550T30.6Very low29.9Very low123 Ų123120.6 Ų120.676%0.75577%0.766SS**  trans69.3103.9147.544.10000122.8
551L30.5Very low29.9Very low161 Ų161119.9 Ų119.984%0.84376%0.762SS**  87.6130.5126.9-61.4176.3000123.2
552S25.8Very low30Very low110 Ų110120.8 Ų120.877%0.76977%0.768SS**  trans83.6103.9144.7-63.10000123
553S26.2Very low30.2Very low101 Ų101122 Ų12271%0.70678%0.776SS**  82.7100.6124.9-165.50000122.9
554L29.3Very low30.3Very low158 Ų158118.2 Ų118.283%0.82777%0.769SS**  trans65.2123.8130.1-63175.5000123.3
555L30.5Very low30.1Very low170 Ų170118.9 Ų118.989%0.8977%0.771SS**  trans102145.5130.9-144.968.4000121.3
556A25.4Very low30.5Very low84 Ų84119.9 Ų119.969%0.69477%0.766SS**  trans81.494.9151.100000123
557A28.3Very low30.9Very low97 Ų97120.7 Ų120.780%0.80276%0.763SS**  73.4-172.4118.100000118.8
558P44.5Very low30.2Very low120 Ų120121.2 Ų121.278%0.77976%0.764SS**  -135.4176.4-114.537.3-14.5000117.8
559L26.6Very low30.3Very low150 Ų150121.2 Ų121.279%0.78576%0.757SS**  trans28.8133.9153-145.283.5000120.4
560P36.8Very low30.2Very low123 Ų123124 Ų12480%0.79976%0.762SS**  -142.4163.9108.835.1-20.7000117.3
561T27.6Very low30.2Very low119 Ų119124.9 Ų124.973%0.7376%0.761SS**  trans-72.8169.5172.449.20000114.6
562S27.5Very low30Very low93 Ų93124.4 Ų124.465%0.6576%0.759SS**  166.6142.1105.4-156.90000116.3
563T28.7Very low31.1Very low127 Ų127123.6 Ų123.678%0.77975%0.751SS**  trans42.2158140.253.80000124.3
564S28.7Very low31.5Very low104 Ų104126.5 Ų126.573%0.72776%0.757SS**  cis178.9-178.9-18.7-174.20000110.8
565V27.8Very low32.5Very low122 Ų122124.9 Ų124.974%0.73976%0.756SS**  trans86.6133.8158.4-169.20000119.9
566V32.8Very low32.3Very low128 Ų128120.4 Ų120.478%0.77675%0.751SS**  trans-140.8136.9163.3173.60000107.6V568V566-V568 HydrophobicContact CG1-CG2 4.27Å
567P38.6Very low32.6Very low115 Ų115119.8 Ų119.875%0.74775%0.753SS**  trans-140.7-168.313234.8-17.5000113.3
568V27.9Very low32.6Very low124 Ų124120.9 Ų120.975%0.75276%0.755SS**  trans-145.3166.5-155.3-165.40000111.2V566V566-V568 HydrophobicContact CG1-CG2 4.27Å
569I32.3Very low31.9Very low140 Ų140120.4 Ų120.472%0.71875%0.754SS**  trans106.7109.7154.8-56.6175.8000118.7
570N27.3Very low32Very low136 Ų136119 Ų11973%0.72776%0.757SS**  trans70.7127.7142.4-65.43000127
571L30.6Very low31.6Very low141 Ų141117.3 Ų117.374%0.73875%0.753SS**  trans54.9116.5133.1-78.180.6000123
572D27.3Very low31.5Very low150 Ų150116.1 Ų116.180%0.80276%0.756SS**  46.2158.5118.2-81.83.1000123.6
573P48.9Very low31.3Very low94 Ų94116.2 Ų116.261%0.6176%0.762SS**  cis-145.5167-29.439.7-22.2000116.8
574I33.6Very low31.9Very low162 Ų162115.8 Ų115.883%0.83176%0.761SS**  trans68.6164.4146.6-78.4167.3000116.7
575P52Low31.7Very low123 Ų123116 Ų11680%0.79977%0.77SS**  cis-124.5174.41.629.1-7.6000117.7
576G26.4Very low31.6Very low77 Ų77113.7 Ų113.779%0.79477%0.77SS**  trans176.4106.3157.400000116.4
577G29.9Very low32.1Very low71 Ų71113.1 Ų113.173%0.73277%0.769SS**  trans68.5111.2168.600000117.2
578S29.8Very low31.6Very low120 Ų120112.4 Ų112.484%0.83977%0.767SS**  70.2123.760.577.50000114.5
579S29.2Very low31.6Very low109 Ų109112 Ų11276%0.76277%0.765SS**  cis-169.2146.95.751.90000114.8
580S27.7Very low31.4Very low121 Ų121112.6 Ų112.685%0.84677%0.769SS**  trans68.3145.2146-157.20000120.4
581A29.3Very low31.7Very low87 Ų87113.6 Ų113.672%0.71977%0.773SS**  cis-169.3164.3-29.200000111.4
582A25.1Very low31.9Very low95 Ų95114.5 Ų114.579%0.78577%0.774SS**  trans77.2107.8151.600000123.1
583A23.3Very low32.2Very low95 Ų95111.4 Ų111.479%0.78577%0.769SS**  74.7-176.3129.700000118.9
584P40.3Very low31.3Very low117 Ų117114.3 Ų114.376%0.7678%0.779SS**  -136.5168.2-88.641.9-25.8000117
585A24.8Very low31.2Very low110 Ų110115.9 Ų115.991%0.90978%0.779SS**  trans63.4173.4161.400000117.5
586G26.9Very low30.4Very low72 Ų72116 Ų11674%0.74278%0.778SS**  trans117.5161.6165.300000116.4
587P43.7Very low30.6Very low116 Ų116121 Ų12175%0.75378%0.778SS**  trans-114.4173.3-171.442-32000114.4
588S27.4Very low30.8Very low100 Ų100123.7 Ų123.770%0.69977%0.774SS**  trans41.7136142.568.20000120.3
589T28.2Very low30.7Very low115 Ų115123.2 Ų123.271%0.70677%0.771SS**  -170157.15942.50000113.4
590L27.1Very low31Very low154 Ų154125.4 Ų125.481%0.80677%0.774SS**  trans47.4116.8141.3-63.7169.2000120.9
591L34.6Very low31.6Very low156 Ų156125.2 Ų125.282%0.81777%0.77SS**  -177.9144.2111.1-91.1171.4000106.3
592E33.3Very low31.5Very low160 Ų160128 Ų12875%0.74878%0.778SS**  cis175.3153.1-26.2170.7164.4173.700104.2
593A35.3Very low31.7Very low86 Ų86128.4 Ų128.471%0.71178%0.775SS**  trans66.4153.3170.300000119.8
594L29.8Very low31.9Very low154 Ų154128.8 Ų128.881%0.80677%0.772SS**  cis-170.4101.8-47.7-115.3162000111.2
595K30.5Very low31.3Very low195 Ų195131 Ų13185%0.84877%0.774SS**  trans179.5116.2150.4-100.4151.3-176.3174.70109.8
596V35Very low31.3Very low126 Ų126130.1 Ų130.176%0.76476%0.761SS**  63.593.191.9177.70000110
597K30.8Very low31.2Very low182 Ų182133.2 Ų133.279%0.79177%0.765SS**  cis68.3135.142.7-140-155.4171.4-164.90109.9
598I33.6Very low30.4Very low128 Ų128132.2 Ų132.266%0.65677%0.767SS**  cis-144.3150.928.4-66.3157.8000111.1
599S27.6Very low30.3Very low110 Ų110134.4 Ų134.477%0.76977%0.771SS**  trans-131167.3143-60.70000109
600D35.5Very low30.3Very low154 Ų154135.6 Ų135.682%0.82478%0.778SS**  trans-61.8162.1-160.1-47.6-73.1000116.9
601P41.8Very low30.3Very low118 Ų118133.7 Ų133.777%0.76677%0.773SS**  -149.8171.8108.540.8-26.9000115.3
602T27.1Very low30Very low144 Ų144132.4 Ų132.488%0.88377%0.772SS**  trans-159128.1149.9-73.20000111.9
603S28.3Very low29.7Very low105 Ų105130.6 Ų130.673%0.73477%0.771SS**  trans-151.1134.8157.753.70000110.9
604S28.6Very low29.3Very low103 Ų103131.7 Ų131.772%0.7277%0.774SS**  trans30.2136.3151.964.80000120.7
605M28.1Very low29.3Very low163 Ų163129 Ų12980%0.80377%0.774SS**  -166.9157.759.7-79.9-175.960.100115.2
606S23.3Very low29.1Very low92 Ų92125.2 Ų125.264%0.64377%0.772SS**  trans50.6115.2142.6650000124.3
607V25.1Very low29Very low136 Ų136123.4 Ų123.482%0.82477%0.77SS**  50.8115.3121.1-175.60000120.4
608A26.9Very low28.8Very low95 Ų95121.1 Ų121.179%0.78577%0.772SS**  -171.7124.512100000115.1
609N26.6Very low28.6Very low147 Ų147118.8 Ų118.879%0.78677%0.772SS**  trans8.3147.1153.7-52.9-2.1000124.5
610T26.8Very low29.8Very low139 Ų139119.2 Ų119.285%0.85377%0.772SS**  trans120.1133.3132.6-30.20000118.4
611T28Very low30.6Very low115 Ų115117.3 Ų117.371%0.70677%0.768SS**  trans-76142.4-177.2-47.60000115.4
612T27.3Very low30.2Very low128 Ų128115.7 Ų115.779%0.78576%0.764SS**  trans161.1116.2132.841.10000109.3
613V28.3Very low30.5Very low122 Ų122114 Ų11474%0.73975%0.754SS**  90.3123.168166.30000114.3
614S26.4Very low30.4Very low109 Ų109114.5 Ų114.576%0.76275%0.753SS**  trans66.2115.4166.7-65.10000118.8
615A29.2Very low30.5Very low99 Ų99118 Ų11882%0.81876%0.755SS**  96.315684.100000111.7
616S26.8Very low30.4Very low115 Ų115117.2 Ų117.280%0.80476%0.76SS**  cis-159.1177.914.1-165.10000111.8
617A31.8Very low30.8Very low87 Ų87119.8 Ų119.872%0.71977%0.766SS**  trans69.2151154.900000120
618T27.1Very low30.7Very low135 Ų135122.9 Ų122.983%0.82877%0.768SS**  cis-161.5161.3-15.4-97.20000110.8
619A29.3Very low30.7Very low79 Ų79123.8 Ų123.865%0.65376%0.764SS**  trans-82.1-134.6175.100000112.4
620P54.3Low30.7Very low119 Ų119122 Ų12277%0.77376%0.763SS**  cis-84.6-168.65.439.6-40.1000112.8
621P50.9Low31Very low113 Ų113121.1 Ų121.173%0.73476%0.758SS**  cis-115.9-176.9-1.345-31.3000113
622A33.9Very low31.5Very low84 Ų84121.7 Ų121.769%0.69476%0.763SS**  cis79.5150.51900000115.9
623T33.7Very low31.5Very low108 Ų108121.7 Ų121.766%0.66376%0.763SS**  cis-97.9-109.51.9450000113.4
624T26.4Very low32.2Very low116 Ų116121.4 Ų121.471%0.71276%0.763SS**  cis-151.2-164.56.1-35.20000109
625F31.2Very low32.3Very low178 Ų178122.5 Ų122.578%0.78177%0.766SS**  trans-132.9172.1-167.9-43.6-62.8000111.2
626T26Very low32.3Very low145 Ų145122.1 Ų122.189%0.8976%0.763SS**  cis-134.3-162.417.962.50000112.6
627L30.5Very low33.3Very low147 Ų147122.3 Ų122.377%0.7776%0.761SS**  trans-153.8138.7-166.3170.3149.9000114.6T629L627-T629 VanDerWaalsContact CD2-OG1 3.29Å; L627-T629 WeakPolarHBondContact CD2-OG1 3.29Å
628K24.2Very low33.6Very low201 Ų201123.9 Ų123.987%0.87476%0.764SS**  trans-154.2134.4151.5-94.1-177177.3178.70107.6
629T26.7Very low33.5Very low113 Ų113121.7 Ų121.769%0.69376%0.759SS**  cis86.1128.630.5-53.30000111.8L627L627-T629 VanDerWaalsContact CD2-OG1 3.29Å; L627-T629 WeakPolarHBondContact CD2-OG1 3.29Å
630S26.9Very low33.3Very low111 Ų111122.9 Ų122.978%0.77676%0.763SS**  cis-150.4171.325.154.20000116.8
631T31.3Very low32Very low120 Ų120125.9 Ų125.974%0.73677%0.766SS**  trans-77.4170.9165.1-9.10000113.2
632P38.9Very low30.7Very low126 Ų126125.1 Ų125.182%0.81876%0.764SS**  -153.1-156.979.242.2-19.6000117.4
633V27Very low30.3Very low128 Ų128130.6 Ų130.678%0.77678%0.775SS**  trans-151158.2-156.4152.50000109
634P43.6Very low30Very low116 Ų116130.9 Ų130.975%0.75378%0.782SS**  cis-121.5-132.122.936.1-12.7000115.2
635T28.6Very low30.3Very low133 Ų133131.3 Ų131.382%0.81679%0.786SS**  cis-151174.332.3-54.80000112
636A29Very low29.9Very low91 Ų91127.9 Ų127.975%0.75278%0.784SS**  trans-96.2174.7-163.300000116.8
637P48.3Very low30Very low118 Ų118125.9 Ų125.977%0.76678%0.777SS**  trans-96.9179.7-166.741.3-37.4000114.7
638P37.3Very low29.8Very low121 Ų121124 Ų12479%0.78678%0.782SS**  -152.4156.4100.840.4-23.4000118.6
639A25.7Very low30Very low88 Ų88118.6 Ų118.673%0.72778%0.775SS**  trans36.6144.9136.700000126
640S24.8Very low30Very low105 Ų105117.4 Ų117.473%0.73478%0.776SS**  trans87.1132.9139.4-70.20000122.4
641Q27.5Very low30.1Very low181 Ų181119.7 Ų119.785%0.84679%0.785SS**  trans58.2150.6147.4-70.7177.2-13.700118.3
642S22.9Very low30Very low98 Ų98117.1 Ų117.169%0.68578%0.783SS**  cis167.3174.1-17-91.80000104.6
643Q26.8Very low30Very low198 Ų198119.8 Ų119.893%0.92578%0.784SS**  trans74.6112.6169.2-58.3-176.5-31.900117.8
644S25.9Very low30.7Very low114 Ų114119.3 Ų119.380%0.79778%0.784SS**  trans-63.4165.8155.1-31.20000111.1
645P32.6Very low30Very low125 Ų125118.6 Ų118.681%0.81278%0.782SS**  -144.7157.5100.938.7-25.3000117.4
646S24.4Very low29.9Very low106 Ų106115 Ų11574%0.74177%0.766SS**  trans-28.4163.5141.5-77.70000117.3
647S27.5Very low30.4Very low104 Ų104120.7 Ų120.773%0.72777%0.774SS**  cis-171.6163.8-1.7-102.30000111.3
648A26.5Very low30.4Very low106 Ų106120.5 Ų120.588%0.87677%0.771SS**  trans62.216916100000116.4
649A27.1Very low30.1Very low88 Ų88122.5 Ų122.573%0.72777%0.769SS**  cis-134146.4-11.100000106.5
650A28Very low30.2Very low88 Ų88123.5 Ų123.573%0.72777%0.767SS**  66.1128.857.300000114.7
651V29.2Very low30.2Very low159 Ų159126.1 Ų126.196%0.96477%0.771SS**  trans71.7138.9-178.4-1660000114.2
652G28.9Very low30.3Very low66 Ų66121.5 Ų121.568%0.6876%0.764SS**  cis-177.7160.3-6.300000112.8
653Q39.3Very low30.5Very low182 Ų182124.9 Ų124.985%0.8577%0.769SS**  trans-66.8156.7175.8-72.1-79.5-30.100111.9
654P40.4Very low30.7Very low118 Ų118122.1 Ų122.177%0.76677%0.765SS**  -160.4158.291.442.4-22.5000120.2
655S28.9Very low31Very low102 Ų102120.5 Ų120.571%0.71375%0.754SS**  trans86.2151.1138.7-146.50000123.4
656A27.8Very low30.9Very low58 Ų58124.1 Ų124.148%0.47976%0.757SS.*  trans70.2120.9154.400000120.7T658A656-T658 PolarHBondContact O-N 3.08Å; A656-T658 VanDerWaalsContact O-N 3.1Å
657F39Very low31Very low209 Ų209123.1 Ų123.192%0.91776%0.755SS**SBend-64.492.7128.1-176.2-87.5000105.9
658T47.5Very low31Very low115 Ų115123.7 Ų123.771%0.70675%0.754SS**SBendtrans16109.4179.552.40000115.9A656A656-T658 PolarHBondContact O-N 3.08Å; A656-T658 VanDerWaalsContact O-N 3.1Å
659Q32Very low31.1Very low162 Ų162124.8 Ų124.876%0.75775%0.751SS**  cis-172.217826.2-163.4-177.8-9.200109
660V27.4Very low31.1Very low110 Ų110124.9 Ų124.967%0.66775%0.746SS**  trans74.4111.7158.2-1750000119.8
661L25.6Very low31.4Very low160 Ų160128.2 Ų128.284%0.83875%0.75SS**  trans62.9153.4134.7-152.570.7000123.4
662A29.4Very low31.5Very low83 Ų83126.3 Ų126.369%0.68674%0.741SS**  trans67149.2159.100000117.6
663Q26Very low31.2Very low169 Ų169127.4 Ų127.479%0.7974%0.743SS**  cis71.599.331-74.7-151.65.300117.5
664V31.2Very low30.5Very low141 Ų141123.4 Ų123.486%0.85574%0.741SS**  trans-150.8122.7139.6147.10000104.9
665S31.7Very low30.5Very low80 Ų80123.1 Ų123.156%0.55974%0.74SS**  cis76.174.18-46.80000117.3
666K30.9Very low30.4Very low201 Ų201125.4 Ų125.487%0.87474%0.742SS**  trans177.8154.6141.8-94.9149.2-172.8176.60109.4
667A25.9Very low30.6Very low85 Ų85128.3 Ų128.370%0.70275%0.754SS**  cis-115.5152.3-1.200000110.5
668T28Very low30Very low115 Ų115121.3 Ų121.371%0.70674%0.741SS**  55.1134.168.15.20000113.4
669T28Very low29.8Very low130 Ų130121.2 Ų121.280%0.79874%0.742SS**  cis-146.1176.915.1-45.40000111.8
670S28.6Very low29.6Very low90 Ų90119.2 Ų119.263%0.62974%0.741SS**  trans-100.6147.9-167.656.90000116.8
671I32.8Very low29.9Very low157 Ų157120.4 Ų120.481%0.80574%0.743SS**  53.4119.9129.3-61.7173.3000117
672P31.6Very low30.1Very low120 Ų120122.2 Ų122.278%0.77974%0.744SS**  -149.3157.980.940.3-22.5000119.9
673A22.7Very low30.1Very low89 Ų89122 Ų12274%0.73675%0.75SS**  trans52.9116.9142.200000123.3
674A25.3Very low30.5Very low97 Ų97121.7 Ų121.780%0.80275%0.754SS**  trans64.8-170.614100000115.7
675P39.3Very low31Very low113 Ų113120.7 Ų120.773%0.73475%0.75SS**  cis-132.2-173.3-9.839.8-20.8000115.7
676I27.5Very low30.9Very low150 Ų150120.5 Ų120.577%0.76975%0.753SS**  trans-38.4154.7152.547169.9000113.2
677T31.8Very low30.9Very low119 Ų119118.8 Ų118.873%0.7375%0.753SS**  -176.6159.368.3-37.60000105.3
678G26.5Very low31.1Very low62 Ų62122 Ų12264%0.63976%0.756SS**  cis65.7146.847.200000112.7
679P44.3Very low31.2Very low112 Ų112121.1 Ų121.173%0.72776%0.755SS**  cis-128.6-144.6-28.427.5-2.8000110.7
680T28.1Very low31.2Very low120 Ų120121.3 Ų121.374%0.73676%0.756SS**  trans33.3146.6141.849.50000121.8
681L32Very low31.2Very low136 Ų136122.6 Ų122.671%0.71277%0.765SS**  cis173.2136.78163.688.4000107.9
682F30.5Very low30.9Very low197 Ų197120 Ų12086%0.86476%0.761SS**  trans59.6135.8163.4-80.9-131.1000120.1
683G30.4Very low30.8Very low79 Ų79118.6 Ų118.681%0.81476%0.759SS**  trans173.387.6174.100000112.4
684L32.8Very low31.9Very low163 Ų163120.3 Ų120.385%0.85376%0.763SS**  trans-75.4161.6176.6-77.5170.9000111
685P42.2Very low31.9Very low119 Ų119121.1 Ų121.177%0.77376%0.763SS**  cis-150179.338.443.4-22.7000120.2
686A30.5Very low31.6Very low77 Ų77122.2 Ų122.264%0.63677%0.767SS**  trans76.699.8147.600000122.2
687L30.8Very low31.6Very low165 Ų165121 Ų12186%0.86477%0.772SS**  trans60.5148.1134.7-52.9171.1000118.9
688I30.2Very low31.4Very low152 Ų152121.3 Ų121.378%0.77977%0.774SS**  cis-146.5168.119.6-13.9-179.9000111.7
689S29.7Very low31.4Very low97 Ų97123.8 Ų123.868%0.67878%0.777SS**  trans80.993.6155.3-56.60000121.6
690T28.4Very low30.5Very low133 Ų133124.4 Ų124.482%0.81678%0.779SS**  trans44.8115.1133.857.30000120.8
691S28Very low30.3Very low118 Ų118123.2 Ų123.283%0.82578%0.781SS**  cis88.2137.750-178.10000114.6
692S27.2Very low30.3Very low101 Ų101122.7 Ų122.771%0.70679%0.786SS**  cis-173.5134.1-20.3-175.60000112.5
693A28.7Very low30.5Very low91 Ų91118.1 Ų118.175%0.75278%0.776SS**  trans55.8-165.1151.600000117.3
694P45Very low30.3Very low125 Ų125122.6 Ų122.681%0.81278%0.78SS**  cis-121.7-172.43.943.6-28.5000115.9
695S26.8Very low30.1Very low115 Ų115119 Ų11980%0.80477%0.774SS**  trans-131139.4172.8-74.60000112.9
696V33.2Very low29.6Very low136 Ų136118.9 Ų118.982%0.82477%0.773SS**  trans22.5122.8151-167.40000120.2
697S27.1Very low29.3Very low124 Ų124121.4 Ų121.487%0.86778%0.781SS**  trans-163.7179.8142.8-85.70000111.4
698T27.4Very low29.1Very low125 Ų125119.3 Ų119.377%0.76778%0.78SS**  trans-114.5179.8-155.956.10000116.5
699T26.1Very low28.9Very low114 Ų114117.2 Ų117.270%0.69978%0.779SS**  trans97.5110.5145.2-0.20000120.9
700T25.6Very low28.8Very low125 Ų125117.9 Ų117.977%0.76778%0.784SS**  trans56.8119.2142.247.60000124
701A23.9Very low28.7Very low95 Ų95119.8 Ų119.879%0.78578%0.784SS**  trans68.6170.2151.700000117.9
702P32.3Very low28.8Very low125 Ų125119.7 Ų119.781%0.81278%0.78SS**  cis-113.8-92.6-11.916.67.7000116.9
703P34.9Very low28.8Very low102 Ų102122.3 Ų122.366%0.66278%0.784SS**  trans-131.8-178.6-14042.4-22.9000117.9
704L25.7Very low28.7Very low173 Ų173123 Ų12391%0.90678%0.784SS**  trans72.5166.2160.9-81.1149000118.6
705A28Very low27.9Very low88 Ų88123 Ų12373%0.72778%0.782SS**  trans-88.7172.8-166.500000111.9
706P31.9Very low28.2Very low116 Ų116123.2 Ų123.275%0.75378%0.778SS**  -149.3175.454.342.6-21.7000119
707T25.4Very low28.2Very low129 Ų129123.5 Ų123.579%0.79178%0.775SS**  trans-7.3126.2160.755.10000121.5
708S25.1Very low28.8Very low122 Ų122124.1 Ų124.185%0.85378%0.776SS**  trans-163.4148.1139.9-87.50000109.7
709S26.3Very low29.1Very low108 Ų108125.1 Ų125.176%0.75578%0.776SS**  cis-162.6145.3-8.749.80000110.4
710S27.6Very low29.3Very low111 Ų111127.7 Ų127.778%0.77679%0.785SS**  trans-168.493.1157.5-139.20000113.8
711Q26.1Very low29.4Very low173 Ų173128.2 Ų128.281%0.80879%0.788SS**  trans-151.7104.7158.1-91.5-58.6-20.100108.5
712P30.5Very low29.7Very low115 Ų115128.4 Ų128.475%0.74779%0.789SS**  trans-95.5125.3173.233.7-28.2000111.3
713I26.6Very low29.5Very low156 Ų156129 Ų12980%0.879%0.791SS**  trans-128.8137.1171.6-56-179000109.1
714S26.7Very low29.3Very low106 Ų106132.2 Ų132.274%0.74180%0.795SS**  trans-72.7167.1-174.9-45.90000113.7
715T29.3Very low29.6Very low126 Ų126131.2 Ų131.277%0.77378%0.783SS**  cis-111.9-103.18.640.90000115
716T31.8Very low29.6Very low118 Ų118132.9 Ų132.972%0.72479%0.786SS**  cis-155.3149.31.6-53.60000109.7
717N34.6Very low29.5Very low143 Ų143131.9 Ų131.977%0.76577%0.774SS**  trans-98.7163.8178.8-62-51.2000112.2
718P39.2Very low30.1Very low137 Ų137134 Ų13489%0.8977%0.772SS**  -123.1175.998.336.8-33.6000114.2
719L33.7Very low30.2Very low145 Ų145129.5 Ų129.576%0.75974%0.742SS**  trans-129.7137.7-155.7173.274.5000112.8
720L30.3Very low30.6Very low168 Ų168127.7 Ų127.788%0.8873%0.734SS**  trans-148.3114.9151.6-82.6-172.8000112.8
721T28.3Very low30.8Very low136 Ų136126.1 Ų126.183%0.83473%0.728SS**  trans-168.8119139.322.40000108
722A30.1Very low31Very low99 Ų99123.9 Ų123.982%0.81873%0.726SS**  trans-153.188.6178.100000111.9
723V27.7Very low30.9Very low139 Ų139123.6 Ų123.684%0.84272%0.722SS**  trans-138.7101.1165.8-174.70000109.7
724F31.1Very low30.9Very low169 Ų169122 Ų12274%0.74172%0.72SS**  21.5135.1126.1-89.8-139.4000118.1
725K30.7Very low30.9Very low152 Ų152122.7 Ų122.766%0.66173%0.725SS**  cis-143.7167.66.1-53.3-180176.1176.30108.1I727K725-I727 HydrophobicContact CB-CG1 4.48Å; K725-I727 HydrophobicContact CD-CD1 3.8Å; K725-I727 HydrophobicContact CD-CG1 4.1Å; K725-I727 HydrophobicContact CG-CD1 4.47Å; K725-I727 HydrophobicContact CG-CG1 4.41Å
726P28.8Very low30.9Very low123 Ų123122.1 Ų122.180%0.79973%0.726SS**  -113.1153.671.9-828.2000113.8
727I29.1Very low30.7Very low95 Ų95121.8 Ų121.849%0.48773%0.728SS.*  trans-101.8154171.8-71.5174.8000108.5K725 F977K725-I727 HydrophobicContact CB-CG1 4.48Å; K725-I727 HydrophobicContact CD-CD1 3.8Å; K725-I727 HydrophobicContact CD-CG1 4.1Å; K725-I727 HydrophobicContact CG-CD1 4.47Å; K725-I727 HydrophobicContact CG-CG1 4.41Å; I727-F977 WeakPolarHBondContact O-CE2 3.17Å; I727-F977 WeakPolarHBondContact O-CZ 3.21Å
728F37.9Very low30.5Very low173 Ų173119.5 Ų119.576%0.75973%0.729SS**  trans-96.1164.5-175.9-71.4-104.9000113.7F977F728-F977 VanDerWaalsContact C-CD2 3.41Å
729A28.6Very low30.1Very low27 Ų27117.7 Ų117.722%0.22373%0.726CS.*  -130.1152112.300000106.1P976 F977 T978A729-P976 WeakPolarHBondContact CB-O 3.08Å; A729-F977 HydrophobicContact CB-CB 3.89Å; A729-F977 HydrophobicContact CB-CD2 4.48Å; A729-F977 WeakPolarHBondContact O-CB 3.13Å; A729-T978 PolarHBondContact O-OG1 3.24Å
730A33.6Very low29.8Very low71 Ų71114.2 Ų114.259%0.58771%0.714SS**  cis75.1146.226.300000113.1
731A31.1Very low29.7Very low78 Ų78112.1 Ų112.165%0.64571%0.713SS**  cis-135-170.93.400000110
732T30.7Very low29.6Very low126 Ų126112.1 Ų112.177%0.77370%0.704SS**  -149.5137.751.933.90000115.1
733T29Very low29.5Very low109 Ų109114.3 Ų114.367%0.66971%0.707SS**  trans26.5116.6143.958.70000119.8
734T27Very low29.4Very low123 Ų123116.2 Ų116.276%0.75570%0.704SS**  68.4131.257.5710000117.4
735S26.8Very low29.8Very low119 Ų119113 Ų11383%0.83270%0.701SS**  trans82.3152.7157.887.90000117
736S28.2Very low29.7Very low114 Ų114112.8 Ų112.880%0.79771%0.706SS**  cis-145.2-162.22.167.20000112.5
737S28Very low30.4Very low111 Ų111111.7 Ų111.778%0.77670%0.699SS**  trans-89.6173.9-171.453.70000115.6
738A30.8Very low30.4Very low95 Ų95115.8 Ų115.879%0.78572%0.716SS**  trans-39.8161.6165.700000115
739A29.8Very low30Very low100 Ų100113.2 Ų113.283%0.82671%0.71SS**  cis-159.1-172.238.100000115.1
740S27.7Very low30Very low71 Ų71119.5 Ų119.550%0.49773%0.732SS.*  trans-81.2153.9176.446.90000113.9N1015S740-N1015 PolarHBondContact OG-O 3.42Å
741S28.8Very low30.2Very low125 Ų125124.4 Ų124.487%0.87474%0.74SS**  trans-165.4164.8145.1-850000112.3
742E26.9Very low30.4Very low135 Ų135125.6 Ų125.663%0.63174%0.741SS**  trans-119.3141.3-164.9164.5-169.2173.300111N1015E742-N1015 PolarHBondContact OE2-ND2 3.25Å
743T27.7Very low30.5Very low146 Ų146127.1 Ų127.190%0.89674%0.743SS**  trans-165151.9142.81.50000114.6
744K24.9Very low30.7Very low179 Ų179130.1 Ų130.178%0.77875%0.747SS**  trans-100.5-179.6169.9-139.4-174.7170.8-176.90106.9
745P39.2Very low31Very low102 Ų102130.1 Ų130.166%0.66275%0.749SS**  cis-151.4178.25.644.9-24.3000120.6
746L29.1Very low31.3Very low147 Ų147131.9 Ų131.977%0.7775%0.745SS**  trans81.2168.5141-112.571.3000119.9
747P43.7Very low31.9Very low100 Ų100131.7 Ų131.765%0.64974%0.74SS**  -138.1177.9-103.347.2-30.8000117.4
748Q29.9Very low32.8Very low181 Ų181131.5 Ų131.585%0.84674%0.737SS**  -177.7124.1129.9-96.716737.500108.9
749N27.7Very low32.5Very low118 Ų118131.6 Ų131.663%0.63173%0.732SS**  70.9125.887.6-140.79.5000112.4
750F30.2Very low32.3Very low160 Ų160134.9 Ų134.970%0.70273%0.734SS**  cis-143.2146.931.2-95.7-91.9000115.2
751K36Very low32.1Very low174 Ų174136.9 Ų136.976%0.75775%0.747SS**  trans37.6152.9140-74.8-174.1-178.6-177.70123.2
752P36.6Very low32Very low102 Ų102135.2 Ų135.266%0.66274%0.741SS**  cis-144.5-166.9-31.939.9-19.9000114.7
753I31.7Very low32Very low158 Ų158135 Ų13581%0.8175%0.75SS**  trans81.866163.8-55.2158.3000115.7
754F33.3Very low32.1Very low172 Ų172129.7 Ų129.775%0.75472%0.718SS**  trans-66.9173.9143.3-94.5-104.9000110.6
755P34.3Very low32.5Very low123 Ų123127.1 Ų127.180%0.79972%0.717SS**  cis-141.9163.927.943.2-23.8000120.6
756Q32.8Very low32.3Very low157 Ų157126.3 Ų126.373%0.73472%0.72SS**  trans-82.8-168.1160.7-120.6-177.6-38.700109.8
757P40.8Very low32.3Very low109 Ų109124.5 Ų124.571%0.70872%0.719SS**  cis-126.5-104.2-7.922.35.7000115.7
758P46.2Very low31.7Very low108 Ų108126.3 Ų126.370%0.70173%0.729SS**  trans-133.7-170.3-136.242.6-21000117.1
759S24.8Very low31.7Very low97 Ų97125 Ų12568%0.67873%0.726SS**  trans116.8154.7142.781.20000120.6
760I26.3Very low31.6Very low169 Ų169124.5 Ų124.587%0.86773%0.733SS**  trans57.6-176.8160.467.9174.6000120.7
761S23.1Very low31.3Very low112 Ų112121.5 Ų121.578%0.78374%0.737SS**  trans-112.8145.4-154-55.30000115.2
762A27.3Very low32Very low91 Ų91118.6 Ų118.675%0.75273%0.734SS**  trans58.3138.8145.700000121.4
763T26.5Very low32.2Very low131 Ų131120.2 Ų120.280%0.80474%0.743SS**  trans161.3161.3131.2-67.50000110.7
764S29.7Very low32.6Very low34 Ų34120.8 Ų120.824%0.23874%0.744CS.*  trans-141.3138.3-175.455.30000112.8T781 S782S764-T781 WeakPolarHBondContact CB-OG1 3.35Å; S764-T781 PolarHBondContact OG-OG1 3.14Å; S764-S782 PolarHBondContact OG-N 2.92Å
765T33.4Very low32.3Very low124 Ų124117.2 Ų117.276%0.76174%0.74SS**  trans178.9136.1146.132.80000116.3
766A34Very low32.6Very low86 Ų86117 Ų11771%0.71174%0.737SS**  trans64.3117.1131.400000125.8
767S30.4Very low32.7Very low109 Ų109119.4 Ų119.476%0.76275%0.745SS**  69.5114.3124.2-57.40000124.4
768T31.1Very low32.3Very low137 Ų137117.4 Ų117.484%0.8474%0.744SS**  -172.3156.3111.217.60000114.3
769L30.1Very low31.7Very low153 Ų153119.3 Ų119.380%0.80175%0.754SS**  trans51.4104155.5-71.4162.9000121.9
770S25.4Very low32.5Very low109 Ų109120.4 Ų120.476%0.76276%0.756SS**  trans43.5115.1130-55.20000122.3
771A23.9Very low33.4Very low97 Ų97116.7 Ų116.780%0.80274%0.741SS**  trans68.3158.7157.300000115.8
772T51.3Low34.5Very low113 Ų113116.6 Ų116.669%0.69374%0.741SS**  cis-118.9112.511.3-53.70000110.7M774T772-M774 VanDerWaalsContact O-CB 3.32Å; T772-M774 WeakPolarHBondContact O-CB 3.28Å; T772-M774 WeakPolarHBondContact O-CG 3.38Å; T772-M774 PolarHBondContact O-N 2.7Å; T772-M774 VanDerWaalsContact O-N 3.12Å
773T40.3Very low34.7Very low136 Ų136117.5 Ų117.583%0.83474%0.742SS**  trans-4.788.9176.952.60000117.3
774M39.6Very low34.9Very low169 Ų169116.2 Ų116.283%0.83374%0.738SS**  trans-151.8146.7-172-85.8-67.1164.300115.9T772T772-M774 VanDerWaalsContact O-CB 3.32Å; T772-M774 WeakPolarHBondContact O-CB 3.28Å; T772-M774 WeakPolarHBondContact O-CG 3.38Å; T772-M774 PolarHBondContact O-N 2.7Å; T772-M774 VanDerWaalsContact O-N 3.12Å
775S27.8Very low34.7Very low97 Ų97120 Ų12068%0.67877%0.765SS**  44.2121.8129.7-132.80000125.1
776V39.9Very low34.5Very low120 Ų120119 Ų11973%0.72776%0.763SS**  69.6139.6124.4170.20000123.9
777F35.5Very low34.2Very low206 Ų206124.3 Ų124.390%0.90477%0.77SS**  trans70.7128.9162.2-94.2-64.4000123.4
778G31.5Very low34Very low67 Ų67123.5 Ų123.569%0.69176%0.764SS**  98109.4125.500000126.9
779V33.8Very low33.7Very low149 Ų149120.8 Ų120.890%0.90376%0.764SS**  trans69.1179.6136.8-1700000121
780T41.8Very low33.6Very low119 Ų119122.3 Ų122.373%0.7376%0.764SS**  trans-148.7147.7-143.2-36.80000116.9
781T44.9Very low33.8Very low91 Ų91123.7 Ų123.756%0.55876%0.763SS**  trans170.1-170.4138.132.80000115.6S764S764-T781 WeakPolarHBondContact CB-OG1 3.35Å; S764-T781 PolarHBondContact OG-OG1 3.14Å
782S45.3Very low34Very low111 Ų111126.1 Ų126.178%0.77676%0.763SS**  trans-142.3160.9-152.2-40.50000117.9S764S764-S782 PolarHBondContact OG-N 2.92Å
783S33Very low33Very low110 Ų110124.3 Ų124.377%0.76976%0.759SS**  trans-153.9-167.7167.767.40000115
784S29.3Very low32.4Very low104 Ų104123.4 Ų123.473%0.72776%0.758SS**  trans-145.5152.7-146.854.80000120.7
785S27.4Very low31.8Very low114 Ų114120 Ų12080%0.79776%0.756SS**  trans68159.7161.189.80000116.9
786S28.8Very low31.7Very low102 Ų102118.4 Ų118.471%0.71376%0.756SS**  cis-138.7178.8-4.8-66.80000107.8
787F27Very low31.1Very low198 Ų198120.8 Ų120.887%0.86876%0.763SS**  cis-161.9-173.239.2-151.4-98.5000111.5
788S25.7Very low30.8Very low92 Ų92114.9 Ų114.964%0.64375%0.752SS**  trans-77153.5-167.961.40000118.2
789G26.3Very low30.5Very low80 Ų80117.9 Ų117.983%0.82576%0.757SS**  trans-164.886.7171.100000116
790F27.8Very low30.3Very low184 Ų184117 Ų11781%0.80775%0.752SS**  trans-44.1158.5-178-87.3-85.6000121.4
791N28.6Very low29.6Very low138 Ų138117.1 Ų117.174%0.73875%0.753SS**  trans84108.5138.7-74.1-20.6000124.1
792N28.8Very low28.9Very low149 Ų149120.5 Ų120.580%0.79777%0.766SS**  81.7117.9106.9-156.651.5000122.7
793A29.3Very low28.8Very low75 Ų75120.5 Ų120.562%0.6276%0.764SS**  trans52.8122.6137.500000124.2
794S27.6Very low28.6Very low116 Ų116119.9 Ų119.981%0.81177%0.765SS**  75.3139.5117.4-169.10000122.8
795A27.3Very low28.5Very low97 Ų97121.1 Ų121.180%0.80277%0.769SS**  trans76.9165156.900000119.2
796G26.6Very low28.9Very low64 Ų64123.4 Ų123.466%0.6677%0.771SS**  trans91.3109.2-171.400000112
797I26.6Very low29.4Very low171 Ų171124.7 Ų124.788%0.87778%0.777SS**  cis85.8139.934.5-54.9175.2000113.3
798A28.4Very low29.4Very low81 Ų81118.5 Ų118.567%0.66977%0.769SS**  trans71.2128.2-176.800000115.9
799T26.5Very low29.5Very low130 Ų130120.4 Ų120.480%0.79878%0.777SS**  cis91.390.720.875.70000117.3
800T29.1Very low29.7Very low132 Ų132126.3 Ų126.381%0.8178%0.78SS**  trans-164.3107.9149.222.10000108.1
801T27.7Very low29.9Very low121 Ų121123 Ų12374%0.74278%0.779SS**  68.2104.594.459.10000117.3
802L29.4Very low30Very low161 Ų161123.8 Ų123.884%0.84378%0.783SS**  21.6161.3118.9-64.6163.1000120.2
803P44.3Very low30.1Very low112 Ų112126.1 Ų126.173%0.72779%0.786SS**  cis-145.7169.1-38.741.1-24.2000115.5
804A28.2Very low30.1Very low96 Ų96125.8 Ų125.879%0.79379%0.79SS**  trans-168.6133.7152.700000108.3
805T26.6Very low30Very low131 Ų131128.1 Ų128.180%0.80479%0.793SS**  cis96.193.128.2-44.20000115
806L36.5Very low30Very low162 Ų162134.3 Ų134.385%0.84880%0.796SS**  trans-5.9146.9152.7-63.9173.2000119.3
807P38.4Very low30Very low129 Ų129136.9 Ų136.984%0.83880%0.804SS**  -146.1-178.969.639.7-21.2000116.1
808G26.9Very low30.1Very low68 Ų68133 Ų13370%0.70180%0.798SS**  cis138.270-14.200000118.3
809V29.6Very low30.4Very low132 Ų132134.8 Ų134.880%0.880%0.802SS**  trans-160.3159.3167.3-78.80000110.6
810K28.8Very low30.8Very low204 Ų204134.5 Ų134.589%0.88780%0.802SS**  cis-159.7174.6-23.8-103.5174.3-175.3179.90107.8
811S32.6Very low30.8Very low113 Ų113134 Ų13479%0.7980%0.8SS**  trans-143.6149.4-169.8178.40000115.3
812L30.1Very low30.9Very low156 Ų156134.1 Ų134.182%0.81780%0.8SS**  trans-167.1121.4163.5-138.657.3000108.6
813F32.5Very low31.1Very low198 Ų198131.8 Ų131.887%0.86879%0.793SS**  61.9140.380.3-94.8-96.8000115.8
814G29.3Very low30.3Very low68 Ų68132.6 Ų132.670%0.70180%0.796SS**  cis-98.1-130.83.800000115.9
815N25.1Very low30.6Very low164 Ų164132.8 Ų132.888%0.87779%0.791SS**  cis-159.9-173.81-163.110.5000112.2
816W27.4Very low30.7Very low227 Ų227132.4 Ų132.486%0.8679%0.794SS**  trans-119.4160.4-174.2-106.8-61000115.3
817S26.1Very low30.3Very low119 Ų119130.6 Ų130.683%0.83279%0.794SS**  -157.1169.867.8-69.30000115.5
818A28.6Very low29.7Very low90 Ų90130 Ų13074%0.74479%0.792SS**  trans-108.1-167.9-178.600000112.1
819P35.6Very low29.8Very low117 Ų117133.2 Ų133.276%0.7680%0.804SS**  cis-130.7-176.433.645-27.9000115.2
820P33.3Very low29.8Very low124 Ų124132.1 Ų132.181%0.80581%0.809SS**  -146.9177.290.838.7-20.4000116.6
821T29.4Very low29.8Very low123 Ų123128 Ų12876%0.75581%0.805SS**  trans-85.2126.3-173.840.90000114.7
822T31.2Very low29.7Very low122 Ų122128.2 Ų128.275%0.74880%0.802SS**  57.6140.888.164.10000117
823T33.1Very low29.7Very low112 Ų112126.6 Ų126.669%0.68779%0.79SS**  cis-173.1153.1-6.2-95.10000110.1
824T28Very low29.3Very low129 Ų129120.4 Ų120.479%0.79177%0.766SS**  trans-170.3107.7135.6-74.20000111.7
825S33Very low30.1Very low101 Ų101121.5 Ų121.571%0.70676%0.76SS**  trans43.7148136.6-450000122.3
826S29.5Very low30.3Very low123 Ų123117.5 Ų117.586%0.8675%0.746SS**  cis-137.3162.619.6-620000113.5
827C27.2Very low30.7Very low124 Ų124113.3 Ų113.384%0.83875%0.745SS**  trans-121.8177.1-167.360.40000114.7
828S26.7Very low31.1Very low116 Ų116110.7 Ų110.781%0.81174%0.737SS**  trans-158.4129.4169.6-69.10000110.9
829S28.6Very low31.3Very low135 Ų135111.8 Ų111.894%0.94474%0.739SS**  trans-168.7172.4170.3-83.90000111.6
830A30.4Very low31Very low109 Ų109112.7 Ų112.790%0.90174%0.735SS**  trans-129-167.6-153.900000117
831S28.4Very low30.9Very low117 Ų117115.4 Ų115.482%0.81873%0.734SS**  trans-140.7-167.5-166.563.90000115.8
832V31.3Very low30.9Very low118 Ų118116.7 Ų116.772%0.71573%0.731SS**  trans-152.7160.7-156.2143.60000112
833Q28.9Very low30.8Very low123 Ų123120.6 Ų120.658%0.57574%0.739SS**  cis-178.7-179.7-36.5-138.6176.138.300110.8T464T464-Q833 PolarHBondContact OG1-OE1 3.35Å
834L25Very low30.6Very low67 Ų67118.4 Ų118.435%0.35174%0.738SS.*  trans77.9172.4156.8-101.879.8000120.4T464T464-L834 HydrophobicContact CG2-CD1 3.95Å; T464-L834 WeakPolarHBondContact OG1-CD1 3.32Å
835P45.5Very low30.5Very low91 Ų91117.3 Ų117.359%0.59174%0.742SS**  cis-136.1165.39.944.8-28.1000120.6
836S30Very low30.2Very low81 Ų81117 Ų11757%0.56675%0.745SS**  trans57.8-170.5140.7680000118.1
837T34.3Very low30.1Very low139 Ų139115.4 Ų115.485%0.85374%0.74SS**  cis-152.3153.210.2-290000113.1
838G34.8Very low30.1Very low63 Ų63115.4 Ų115.465%0.64974%0.736SS**  trans157.4-176.9173.700000110.9
839S32.6Very low30.2Very low113 Ų113116.2 Ų116.279%0.7974%0.736SS**  cis177.2145.3-20.4-92.50000107.8
840M30.8Very low30Very low136 Ų136113.7 Ų113.767%0.6772%0.724SS**  cis-165-175.7-14.9-150.4-149.5-61.400108.3
841F29.4Very low29.8Very low181 Ų181113.4 Ų113.479%0.79472%0.722SS**  trans70.6163.9168-48.8-62.2000117.8
842Q30.3Very low29.7Very low150 Ų150111.7 Ų111.770%0.70172%0.715SS**  cis-169.8110.6-39.8167.253.14.700111.3
843F30Very low29.4Very low205 Ų205111.8 Ų111.890%0.89972%0.715SS**  trans-177.4147.2138.7-120.9-80.7000110.3
844G28.3Very low29.3Very low65 Ų65112 Ų11267%0.6773%0.726SS**  trans118.870.2165.500000118.3
845A26.6Very low29.2Very low106 Ų106113.4 Ų113.488%0.87675%0.747SS**  trans34152.5146.100000125
846A26.2Very low28.2Very low94 Ų94113.2 Ų113.278%0.77775%0.753SS**  trans86.997.915300000120.9
847A26.9Very low27.9Very low91 Ų91115.4 Ų115.475%0.75277%0.768SS**  65.3142123.600000120.3
848T27Very low27.7Very low123 Ų123113 Ų11376%0.75576%0.762SS**  cis-161.7152.30-2.60000111.2
849T28.2Very low28.2Very low133 Ų133115.6 Ų115.682%0.81677%0.767SS**  trans65.9157.7148.1-48.10000118.9
850A25.9Very low28.1Very low83 Ų83114.5 Ų114.569%0.68677%0.766SS**  -178.9164.3-6900000108.9
851A25.5Very low27.9Very low103 Ų103116 Ų11685%0.85177%0.774SS**  trans65.7159159.400000118.6
852A26Very low27.8Very low81 Ų81112.1 Ų112.167%0.66977%0.77SS**  cis-167.9171.3-2700000111.8
853T24.7Very low28Very low119 Ų119114.4 Ų114.473%0.7378%0.777SS**  trans55.5110.514345.50000123.1
854T26.6Very low28.7Very low129 Ų129109.6 Ų109.679%0.79177%0.767SS**  55.3131.1122.864.10000124
855A24.6Very low28.9Very low96 Ų96111.2 Ų111.279%0.79377%0.768SS**  trans87.8126.8130.300000122.8
856A23.6Very low28.9Very low87 Ų87112.7 Ų112.772%0.71976%0.761SS**  trans73.6130.4134.600000123.1
857S23.1Very low29.1Very low126 Ų126117.1 Ų117.188%0.88176%0.763SS**  trans71.3150.9148.736.60000121.5
858A31.5Very low29.2Very low88 Ų88117.1 Ų117.173%0.72776%0.758SS**  trans-92-164.1170.300000109.4
859P45.6Very low29.3Very low118 Ų118121 Ų12177%0.76676%0.764SS**  cis-149.4-1758.345.5-25.2000118.9
860A30.2Very low29.3Very low91 Ų91118 Ų11875%0.75276%0.76SS**  trans76.1178.9142.400000121.6
861I25.4Very low29.4Very low166 Ų166118 Ų11885%0.85176%0.76SS**  trans83.8127.1-174.3-55.5174.1000113.9
862S28.7Very low29.5Very low100 Ų100119.8 Ų119.870%0.69976%0.76SS**  cis-167.2151.5-15.156.20000113.7
863K32.7Very low29.6Very low198 Ų198124.7 Ų124.786%0.86177%0.769SS**  trans22.5163.2137.8-77.6-176.6177.6179.10122.4
864P45.4Very low30.1Very low104 Ų104124.3 Ų124.368%0.67577%0.769SS**  cis-139.2176.516.338.7-18.9000118.7
865S32.2Very low29.9Very low99 Ų99125 Ų12569%0.69277%0.768SS**  trans64144.9152.842.10000120.2
866N26.4Very low30.6Very low138 Ų138125.1 Ų125.174%0.73876%0.761SS**  cis-152.2150.36.2-110.1-6.9000113.1
867F30.3Very low30.8Very low187 Ų187130 Ų13082%0.8277%0.769SS**  trans28.2147.1154.7-69.3-103.2000123.6
868S30.6Very low30.8Very low91 Ų91128.7 Ų128.764%0.63677%0.765SS**  cis-171.9172.2-23-159.10000112.6
869F28.1Very low30.8Very low204 Ų204130.1 Ų130.190%0.89577%0.77SS**  trans74.3153.3-176.2-66.2-90.6000116
870G28.2Very low29.9Very low71 Ų71133.5 Ų133.573%0.73277%0.773SS**  cis146.9150.1-9.500000113.3
871A28.6Very low29.9Very low83 Ų83134.8 Ų134.869%0.68677%0.771SS**  cis-155.5145.9-12.500000112.2
872T28.3Very low30.1Very low139 Ų139135.6 Ų135.685%0.85377%0.769SS**  trans53.5141.8149.951.20000124.4
873Q26.2Very low30.1Very low184 Ų184136.2 Ų136.286%0.8677%0.773SS**  trans-41.1170.1152.4-92.9174.9-99.700115.9
874P35.7Very low30.1Very low111 Ų111135.9 Ų135.972%0.72177%0.772SS**  cis-135.3-17012.835-12.9000116.4
875D23.1Very low29.3Very low144 Ų144134.4 Ų134.477%0.7778%0.775SS**  trans-47148.8154.4-158.754.5000110.8
876P39.4Very low29.2Very low98 Ų98137.7 Ų137.764%0.63678%0.78SS**  cis-154.5-176.648.646-25.2000119.8
877Q26.9Very low30.3Very low190 Ų190136.7 Ų136.789%0.88878%0.781SS**  trans70.5157.8150.4-83.7-172.119.500120.9
878A24.3Very low30Very low98 Ų98133.1 Ų133.181%0.8178%0.779SS**  trans-97.1151.5-171.500000113.3
879S31.4Very low29.7Very low119 Ų119133.4 Ų133.483%0.83278%0.781SS**  trans-139.6123.5143.156.60000110.9
880K26.7Very low29.6Very low189 Ų189129.2 Ų129.282%0.82278%0.777SS**  trans-83.6-173.8156.4-81-174.3173.9-179.20108.5
881V29.4Very low29.6Very low117 Ų117135 Ų13571%0.70979%0.785SS**  trans67.6147.8169.5-118.90000112.1
882F29.6Very low29.5Very low184 Ų184135.7 Ų135.781%0.80779%0.785SS**  cis-144.2167.617-88.9-77.3000108.8
883S29.3Very low29.5Very low112 Ų112134.4 Ų134.478%0.78378%0.777SS**  cis-156.1-172.3-16-156.70000109.6
884F31.4Very low29.8Very low191 Ų191131.5 Ų131.584%0.83877%0.772SS**  trans-84151.4-179.9-153.6-102.3000113.4
885G28.9Very low29.5Very low73 Ų73132.3 Ų132.375%0.75378%0.775SS**  trans-176.3128.5173.700000115.8
886Q30.6Very low29.9Very low169 Ų169130.2 Ų130.279%0.7978%0.778SS**  trans-128.8-175.7170-65.4-172.7-80.800108.1
887P49.8Very low29.6Very low117 Ų117130.3 Ų130.376%0.7678%0.781SS**  -122.3-149.3-59.337.5-21.2000110.4
888S23.4Very low29.9Very low111 Ų111130.9 Ų130.978%0.77678%0.781SS**  trans78.5150.6169.7-1360000115.7
889S25Very low30.4Very low98 Ų98129.4 Ų129.469%0.68578%0.775SS**  cis-165.4150-19.232.20000112.7
890S25Very low30.6Very low116 Ų116126.6 Ų126.681%0.81177%0.765SS**  trans18.7111.6149.9-49.30000122.9
891Q29.3Very low31Very low191 Ų191128 Ų12889%0.89377%0.771SS**  trans-162.2130.6135.4-106.4174.2-9.700108
892S26.3Very low31.3Very low99 Ų99125.8 Ų125.869%0.69277%0.772SS**  63.2133.490.2-151.40000113.6
893T27.2Very low31.5Very low111 Ų111125.8 Ų125.868%0.68178%0.78SS**  cis-160.3142.831.5-35.30000113.5
894T33.6Very low31.7Very low123 Ų123124.3 Ų124.376%0.75577%0.774SS**  trans45.1123151.453.40000124.4
895T29.9Very low31.7Very low129 Ų129122 Ų12279%0.79177%0.77SS**  159.8130.7102.2-63.80000114.3
896A30.9Very low31.8Very low99 Ų99124.3 Ų124.382%0.81877%0.771SS**  trans60.2150.2160.500000119.8
897S31.7Very low31.7Very low100 Ų100122.4 Ų122.470%0.69977%0.77SS**  cis-164137.9-13.8178.40000109.6
898F33.2Very low30.7Very low203 Ų203121.6 Ų121.689%0.8977%0.767SS**  trans25.3125.6163.4-68.6-110.9000120
899G35Very low30.8Very low67 Ų67122.6 Ų122.669%0.69177%0.769SS**  cis89.3127.310.100000113.2
900G36.5Very low30.9Very low60 Ų60124.7 Ų124.762%0.61978%0.777SS**  cis155.3151.7-0.300000108.9
901F34.9Very low31.1Very low217 Ų217123 Ų12395%0.95277%0.77SS**  cis-146-158.42.3-54.6-81.4000107.8
902G35.2Very low31.6Very low71 Ų71120.3 Ų120.373%0.73277%0.769SS**  cis178.2-158.69.900000112.1
903L34.9Very low31.7Very low185 Ų185122 Ų12297%0.96978%0.776SS**  trans-135.1176.7178.1-61.4150000108.4
904A33Very low32Very low81 Ų81121.2 Ų121.267%0.66978%0.78SS**  cis-162.2-174.61200000112.3
905N32.3Very low31.7Very low141 Ų141121.7 Ų121.775%0.75478%0.783SS**  trans77.3100.7147.5-80.417.4000124.2
906T30.9Very low31.6Very low123 Ų123118.5 Ų118.576%0.75577%0.77SS**  65.2140.3120.258.40000124.9
907V27.6Very low31.5Very low128 Ų128117.3 Ų117.378%0.77676%0.76SS**  trans88.1101.4157.3177.60000119.7
908S28.3Very low31.7Very low100 Ų100117.7 Ų117.770%0.69976%0.76SS**  trans50.9144.7130.8-50.90000125.1
909T27Very low31.4Very low132 Ų132114.1 Ų114.181%0.8176%0.755SS**  trans109.8105.8148.265.80000120.2
910V26.5Very low31Very low143 Ų143115.1 Ų115.187%0.86776%0.757SS**  trans58.8133.5131.3-171.20000120.9
911A29.6Very low30.6Very low80 Ų80116.8 Ų116.866%0.66177%0.765SS**  trans-66.1172179.500000115.9
912P38.5Very low30.3Very low134 Ų134112.1 Ų112.187%0.8775%0.754SS**  -137.6-178.5107.339.5-29.1000115.6
913T29.7Very low30Very low136 Ų136114.4 Ų114.483%0.83475%0.754SS**  trans-116143.7-169.448.30000114.3
914A31.9Very low29.8Very low94 Ų94114.5 Ų114.578%0.77775%0.749SS**  trans171.5159.8147.200000111.5
915T27.9Very low30Very low133 Ų133114.9 Ų114.982%0.81675%0.745SS**  cis-169.1160.3-26.6-82.50000109
916A28.5Very low29.8Very low62 Ų62114 Ų11451%0.51275%0.745SS.*  trans88.7124.3162.700000121R1136A916-R1136 HydrophobicContact CB-CG 4.37Å
917A28.8Very low30.3Very low74 Ų74116.5 Ų116.561%0.61275%0.748SS**  trans-88.5171.4171.800000113.5R1136A917-R1136 PolarHBondContact O-NH2 2.72Å
918P35.4Very low30.4Very low107 Ų107115.6 Ų115.670%0.69575%0.745SS**  -120.1142.2105.934.8-30.5000111.4
919T26.3Very low30.7Very low128 Ų128116 Ų11679%0.78574%0.743SS**  88.313760.2-53.20000113
920A27.3Very low30.7Very low89 Ų89118.8 Ų118.874%0.73674%0.744SS**  trans91.8107.3167.600000119.1
921A27.7Very low31.1Very low95 Ų95117.5 Ų117.579%0.78574%0.737SS**  trans67.9155.1144.300000118.6
922T28.7Very low31.2Very low119 Ų119123.3 Ų123.373%0.7375%0.748SS**  cis-148.9153.80.7-25.30000110.8
923T28.5Very low31.1Very low118 Ų118119.5 Ų119.572%0.72473%0.733SS**  trans41.7113.9150.745.20000122
924H32.3Very low31.2Very low188 Ų188122.9 Ų122.987%0.8774%0.736SS**  -59.9147.2114.4-107.5-86.5000107.9
925P36.1Very low32Very low88 Ų88124 Ų12457%0.57174%0.736SS**  -151.8-145.460.738.5-15.5000113.3
926T29.1Very low32Very low123 Ų123122.1 Ų122.176%0.75573%0.733SS**  trans66.6126.7154.941.80000117.1
927Q39.6Very low31.9Very low175 Ų175128.2 Ų128.282%0.81875%0.748SS**  cis51.311824.7-111.3-161.7300113.3
928P31.1Very low31.9Very low110 Ų110133 Ų13371%0.71476%0.758SS**  -149.2171.471.241.3-24.7000116
929T34.3Very low31.6Very low108 Ų108132 Ų13266%0.66376%0.759SS**  trans-52.1136150.2-55.90000110.8
930F26.1Very low31.9Very low190 Ų190131.6 Ų131.683%0.83376%0.758SS**  trans-144110.5145.8-123.7-77.1000111.1
931T36.3Very low32.3Very low117 Ų117131.5 Ų131.572%0.71876%0.757SS**  trans-88.4134.2169.8-47.70000108
932F31.9Very low32.7Very low201 Ų201131.1 Ų131.188%0.88275%0.754SS**  trans-127.8117.2163.8-154.6-89.9000109.6
933G35.1Very low32.6Very low54 Ų54133.7 Ų133.756%0.55776%0.758SS**  trans-92.3-161.6-179.800000112.8
934K33.3Very low33.1Very low207 Ų207132.4 Ų132.490%0.975%0.752SS**  trans-134.3153.7165.7-82.3-175.4176.9-179.40108.9
935P47.1Very low33Very low119 Ų119127.7 Ų127.777%0.77375%0.745SS**  cis-130.9173.6-7.337.3-20.6000115.1
936A28.2Very low32.6Very low92 Ų92132 Ų13276%0.7676%0.755SS**  trans74.1108.5150.300000121
937F27Very low32.4Very low191 Ų191130.5 Ų130.584%0.83875%0.75SS**  trans75.4148.5134.2-134.8-104000121.4
938E27.5Very low31.8Very low174 Ų174126.7 Ų126.781%0.81374%0.743SS**  trans58.8154.3172.4-99.4168.8129.200121.9
939A29.2Very low31.5Very low86 Ų86126.8 Ų126.871%0.71175%0.746SS**  trans-114-163-175.900000107.7
940P33.5Very low31.2Very low119 Ų119127.4 Ų127.477%0.77376%0.755SS**  cis-130.8-150.5-10.640.9-22000111.1
941A35.1Very low31.2Very low87 Ų87121.8 Ų121.872%0.71975%0.751SS**  trans73.1119.9158.300000116.1
942A36.8Very low31.4Very low87 Ų87121.5 Ų121.572%0.71975%0.751SS**  86.2141.575.700000111.2
943Q26.2Very low31.4Very low174 Ų174118.8 Ų118.881%0.81375%0.745SS**  cis59.714148-67.1-93.1-21.200112.7
944P38.8Very low31.2Very low90 Ų90124.3 Ų124.358%0.58475%0.753SS**  cis-139.7179.3-44.238.2-22.7000113.3
945A31.4Very low32Very low89 Ų89118.4 Ų118.474%0.73674%0.736SS**  trans63.8-159.2152.100000117.3
946F26.3Very low31.3Very low178 Ų178122 Ų12278%0.78174%0.74SS**  trans62.385179.1-62.4-78.4000116.4
947S25.1Very low31.7Very low92 Ų92122.4 Ų122.464%0.64373%0.733SS**  82.9156.280.571.50000115.5
948S26.5Very low32Very low95 Ų95123.5 Ų123.566%0.66474%0.738SS**  trans57.986.3150.855.10000119.1
949S26Very low32.2Very low112 Ų112118.7 Ų118.778%0.78374%0.735SS**  77.5166.2126.279.40000120.5
950S27Very low32.2Very low121 Ų121120.1 Ų120.185%0.84674%0.74SS**  trans62.3116.2-178.4730000115.4
951G26.6Very low32.2Very low73 Ų73119.8 Ų119.875%0.75374%0.741SS**  trans-104.3165.5159.700000110
952P40.5Very low32.1Very low110 Ų110119.6 Ų119.671%0.71475%0.747SS**  trans-131.3125.2156.217.34.3000115
953L32.6Very low32Very low145 Ų145120.3 Ų120.376%0.75975%0.752SS**  70.4162.9123.7-56.8175.9000117.6
954K30.7Very low32.3Very low170 Ų170117 Ų11774%0.73975%0.749SS**  cis-167.1178.72.4-127.8164.6-171.7172.40109.2
955P50.4Low32.1Very low83 Ų83117.2 Ų117.254%0.53975%0.753SS.*  -110.7-167.2-54.315.79.6000109.6
956F31.7Very low32Very low193 Ų193118.8 Ų118.885%0.84675%0.753SS**  cis-150.8-179.520.5-65.5-98.3000110.4
957T37.7Very low32.3Very low101 Ų101116.2 Ų116.262%0.6275%0.752SS**  -171.7142.1-56-75.80000109.8
958F31.6Very low32.5Very low214 Ų214117 Ų11794%0.93976%0.764SS**  trans61.7151.6-177.5-72.6-68.3000115.6
959G31.5Very low32.6Very low73 Ų73116.3 Ų116.375%0.75377%0.772SS**  cis166164.8-400000109.4
960S31.1Very low32.6Very low116 Ų116117.7 Ų117.781%0.81178%0.776SS**  cis-166.7177.3-8.7-161.50000112.1
961S33.5Very low32.6Very low113 Ų113115.9 Ų115.979%0.7977%0.769SS**  trans54.3105.7157620000124.5
962G31.3Very low32.6Very low82 Ų82119.1 Ų119.185%0.84577%0.774SS**  trans89.6150131.400000120.8
963A36.2Very low32.1Very low102 Ų102118 Ų11884%0.84377%0.774SS**  cis-165.8163.5-13.300000113.5
964S31.2Very low32.4Very low106 Ų106116.6 Ų116.674%0.74177%0.774SS**  trans89.2118.4152.3-143.40000122.9
965S34.3Very low32.3Very low94 Ų94112.6 Ų112.666%0.65777%0.772SS**  trans53.8139.5130.865.30000122.7
966T30.6Very low31.9Very low121 Ų121112.1 Ų112.174%0.74277%0.769SS**  cis-164.8149-2.511.60000112.6
967T31.3Very low31.9Very low125 Ų125108.7 Ų108.777%0.76775%0.754SS**  trans29.9120.1149.957.70000123
968A30.2Very low31.5Very low107 Ų107108.4 Ų108.488%0.88475%0.752SS**  38127125.800000121.5
969G27.9Very low31.3Very low82 Ų82107.7 Ų107.785%0.84575%0.749SS**  trans-171.1123.9167.500000113.6
970T26.7Very low31.2Very low140 Ų140108.1 Ų108.186%0.85975%0.745SS**  trans-72.6160.9-177.850.60000115.6
971A27.5Very low31.1Very low84 Ų84106.8 Ų106.869%0.69474%0.742SS**  trans91.7147.2137.900000122.4
972T25.7Very low31.5Very low141 Ų141107.4 Ų107.487%0.86574%0.743SS**  trans79.8142.5155.2-2.40000120.6
973A31.2Very low31.4Very low86 Ų86107.2 Ų107.271%0.71173%0.733SS**  trans-77.5174.5169.200000110.8
974P38.8Very low31.2Very low116 Ų116108.7 Ų108.775%0.75374%0.735SS**  cis-118.117430.610.816.8000113.5
975A26.9Very low31.3Very low86 Ų86108.5 Ų108.571%0.71174%0.739SS**  cis69.9150.349.300000114.3
976P43.5Very low31Very low73 Ų73109.3 Ų109.347%0.47475%0.751SS.*  cis-149.2-179.1-27.530.6-5.1000117.5A729A729-P976 WeakPolarHBondContact CB-O 3.08Å
977F31.1Very low30.9Very low120 Ų120108 Ų10853%0.52675%0.753SS.*  trans73.6132.9160.7-59.7-88.9000125.2I727 F728 A729I727-F977 WeakPolarHBondContact O-CE2 3.17Å; I727-F977 WeakPolarHBondContact O-CZ 3.21Å; F728-F977 VanDerWaalsContact C-CD2 3.41Å; A729-F977 HydrophobicContact CB-CB 3.89Å; A729-F977 HydrophobicContact CB-CD2 4.48Å; A729-F977 WeakPolarHBondContact O-CB 3.13Å
978T29.3Very low30.7Very low95 Ų95108.9 Ų108.958%0.58376%0.758SS**  trans54.7122.1138.858.60000123.6A729A729-T978 PolarHBondContact O-OG1 3.24Å
979F27.5Very low30.7Very low199 Ų199107.8 Ų107.887%0.87375%0.749SS**  -140.2171.695.1-149.2-107.7000111.1
980A28.3Very low30.8Very low82 Ų82110 Ų11068%0.67875%0.746SS**  trans-98.9-179.3175.400000110.2
981A30.8Very low30.9Very low89 Ų89109.2 Ų109.274%0.73675%0.746SS**  cis-143-115.18.400000113.2
982P41.8Very low31.1Very low125 Ų125109.3 Ų109.381%0.81275%0.747SS**  -110-162.1-115.539.9-22.9000111.7
983A28.9Very low31.7Very low78 Ų78108 Ų10865%0.64574%0.741SS**  cis-159.3168900000110.6
984P32.6Very low31.6Very low134 Ų134109.5 Ų109.587%0.8774%0.741SS**  trans-95.9123.4153.533.8-25.8000110.7
985A32.1Very low31.2Very low101 Ų101111.1 Ų111.184%0.83574%0.737SS**  trans-149.9131.1173.100000111.7
986A28.9Very low31.4Very low111 Ų111110.5 Ų110.592%0.91774%0.738SS**  trans-134.171.1174.700000109.8
987A27.4Very low31Very low93 Ų93113.8 Ų113.877%0.76976%0.757SS**SBendtrans-156.855.217400000111.7
988V27.9Very low31.6Very low145 Ų145113.9 Ų113.988%0.87977%0.77SS**  trans42.8108.8146.7-173.70000119.3
989A29.7Very low31.7Very low84 Ų84114 Ų11469%0.69478%0.781SS**  -169.5108.4127.500000113.4
990T30.8Very low31.7Very low129 Ų129114 Ų11479%0.79178%0.781SS**  trans46126.2144.853.50000124.2
991S28.7Very low32.2Very low123 Ų123115.1 Ų115.186%0.8678%0.781SS**  trans78.2140.8140.751.50000123
992A31.2Very low32.1Very low85 Ų85115 Ų11570%0.70278%0.78SS**  trans-102.4-160.7174.700000110.1
993P38.7Very low31.4Very low115 Ų115119.6 Ų119.675%0.74779%0.787SS**  cis-108.8172.7-9.28.218.4000112.8
994T29.2Very low31.4Very low116 Ų116119.5 Ų119.571%0.71279%0.794SS**  cis89.2143.141.2-490000114.6
995F30.1Very low31.2Very low151 Ų151118.1 Ų118.166%0.66279%0.794SS**  trans78.2140.8-170.5-62.8-84.2000116.1S541S541-F995 WeakPolarHBondContact OG-CE1 3.37Å; S541-F995 WeakPolarHBondContact OG-CZ 2.94Å
996G31.6Very low31.1Very low72 Ų72117.1 Ų117.174%0.74279%0.793SS**  cis-177.9147.1-7.800000113
997T33.7Very low31.4Very low142 Ų142116.8 Ų116.887%0.87179%0.785SS**  trans-77.2165.1168.340.20000110.7
998P44.7Very low31.7Very low122 Ų122118.1 Ų118.179%0.79278%0.783SS**  cis-144.2-15526.944.1-22.8000115.8
999A30.4Very low32Very low99 Ų99114.1 Ų114.182%0.81877%0.771SS**  trans106.8116.8153.700000120
1000K29.3Very low32.2Very low199 Ų199119.4 Ų119.487%0.86578%0.779SS**  trans-84.4159.9159.4142.2-165.4-180-174.50107.8
1001P37.8Very low32.5Very low105 Ų105116.4 Ų116.468%0.68277%0.767SS**  cis-137.9167.420.936.8-17.3000118.6
1002A28.4Very low32.7Very low86 Ų86120.5 Ų120.571%0.71177%0.77SS**  trans56.5154.4136.900000123.7
1003F28.1Very low32.9Very low221 Ų221119.9 Ų119.997%0.96977%0.772SS**  trans61.5165171.3-84.6-83.7000117.1
1004G28.3Very low32.8Very low77 Ų77118.8 Ų118.879%0.79477%0.773SS**  trans110.4120.6166.400000114.5
1005A28.9Very low33Very low105 Ų105117 Ų11787%0.86876%0.759SS**  trans-87145.8168.900000111.3
1006G29.9Very low33.2Very low79 Ų79113.5 Ų113.581%0.81476%0.758SS**  trans73.7-179.6146.800000118.3
1007S34.2Very low33.1Very low105 Ų105114.6 Ų114.673%0.73476%0.76SS**  cis-150.7144.3-7.365.80000113
1008T35.3Very low33.4Very low120 Ų120113.4 Ų113.474%0.73675%0.754SS**  trans29.1129.5146.256.10000121.7
1009G33.3Very low32.6Very low61 Ų61112.2 Ų112.263%0.62975%0.749SS**  -159131.8117.600000111.2
1010F33.3Very low32.4Very low196 Ų196113.4 Ų113.486%0.8675%0.746SS**SBendcis-159.7178.9-7.7-63.6-77.4000107.5
1011A36.8Very low32.2Very low66 Ų66110.2 Ų110.255%0.54574%0.743SS.*  -162.7161.4-54.900000106.5
1012F33.3Very low32.4Very low208 Ų208110.9 Ų110.991%0.91275%0.747SS**  cis-112.9-131.84.8-57.3-94000109.7
1013G35.3Very low32.3Very low72 Ų72111.8 Ų111.874%0.74275%0.749SS**  cis94140.89.600000113.5
1014A36.3Very low32.4Very low93 Ų93111.5 Ų111.577%0.76975%0.747SS**  cis-159.1179.6-300000109.3
1015N34.3Very low32.5Very low78 Ų78111.3 Ų111.342%0.41775%0.746SS.*  cis-146.6-77.44.7-151.95.1000114.9S740 E742S740-N1015 PolarHBondContact OG-O 3.42Å; E742-N1015 PolarHBondContact OE2-ND2 3.25Å
1016A34.7Very low32.6Very low78 Ų78109.6 Ų109.665%0.64574%0.739SS**  trans-165.6141.7-158.300000111.2
1017A29.1Very low32.7Very low95 Ų95110.8 Ų110.879%0.78573%0.734SS**  84.2163.469.100000113.5
1018P40.5Very low32.5Very low116 Ų116112 Ų11275%0.75374%0.737SS**  cis-140.6-178.5640.7-19.8000118
1019S27.9Very low32.3Very low98 Ų98114.1 Ų114.169%0.68574%0.739SS**  trans55108.8143.163.40000125.2
1020V26.1Very low32.1Very low123 Ų123115.4 Ų115.475%0.74574%0.735SS**  trans25.6118.5131.9-71.90000124.3
1021T24.8Very low31.9Very low132 Ų132114.4 Ų114.481%0.8173%0.733SS**  trans66.7160.1134.863.90000120.5
1022P41.5Very low31.6Very low119 Ų119115.9 Ų115.977%0.77374%0.739SS**  cis-130.3-174.62.341.1-24.6000116
1023S25.8Very low31.5Very low106 Ų106109 Ų10974%0.74172%0.717SS**  trans95.1119.6145.3-144.50000121.7
1024F30.4Very low31.4Very low214 Ų214109.5 Ų109.594%0.93971%0.709SS**  trans29.1129.7142-101.2-99.7000122.8
1025G31.8Very low31.1Very low73 Ų73109.3 Ų109.375%0.75370%0.698SS**  trans164.2135.314700000115.1
1026G30.7Very low31Very low70 Ų70108 Ų10872%0.72270%0.695SS**  trans-46.8143.9-173.800000117.3
1027S31.2Very low30.7Very low104 Ų104110.6 Ų110.673%0.72770%0.703SS**  90.4150.162.670.80000113.1
1028T30.5Very low31Very low130 Ų130113.3 Ų113.380%0.79870%0.698SS**  trans74.9139.6176.664.50000116.2
1029Q30Very low31.3Very low164 Ų164112.1 Ų112.177%0.76669%0.69SS**  cis-164.7172-19.6-163.5-179.7-2300111.1
1030T29.6Very low31.5Very low89 Ų89114.3 Ų114.355%0.54669%0.687SS.*  trans85.1116.2143.220.40000121.8
1031Q29.9Very low31.6Very low175 Ų175111.2 Ų111.282%0.81868%0.68SS**  66150.5127.2-75.8168.9-7.100119.5
1032S29.9Very low31.8Very low97 Ų97110.9 Ų110.968%0.67868%0.683SS**  cis-162.2177.43.9-121.70000108.9
1033S32Very low31.1Very low64 Ų64110.3 Ų110.345%0.44868%0.682SS.*  cis-167.9-172.8-0.5-117.80000109.1D300 R301D300-S1033 WeakPolarHBondContact O-CB 3.33Å; D300-S1033 PolarHBondContact O-OG 3.48Å; R301-S1033 PolarHBondContact O-OG 2.95Å
1034S32.3Very low31.2Very low81 Ų81111.3 Ų111.357%0.56669%0.689SS**  trans84.2139.6150.983.10000119.1E299 D300E299-S1034 CarbonylContact O-C 3.1Å; E299-S1034 WeakPolarHBondContact O-CA 3.38Å; E299-S1034 PolarHBondContact O-N 3.43Å; D300-S1034 PolarHBondContact O-N 3.42Å
1035T31Very low31.2Very low89 Ų89104.9 Ų104.955%0.54668%0.683SS.*  cis-158.8132.5-55.40000115.3E299E299-T1035 WeakPolarHBondContact O-CA 3.45Å; E299-T1035 PolarHBondContact O-N 3.12Å; E299-T1035 VanDerWaalsContact O-N 3.08Å
1036S31.1Very low31.3Very low50 Ų50106.2 Ų106.235%0.3569%0.687SS.*  trans37.6145.2134.475.70000124.5E299E299-S1036 VanDerWaalsContact CD-CA 3.45Å; E299-S1036 VanDerWaalsContact OE1-CA 3.32Å; E299-S1036 WeakPolarHBondContact OE1-CA 3.37Å; E299-S1036 WeakPolarHBondContact OE2-CA 3.15Å; E299-S1036 PolarHBondContact OE2-N 2.92Å
1037T28.6Very low31.3Very low133 Ų133106.9 Ų106.982%0.81669%0.686SS**  -171.5140125-78.60000113.6
1038F36.2Very low31.2Very low153 Ų153110.4 Ų110.467%0.67169%0.691SS**  trans-89.2168.9-179.9-50.5-96.5000114.2
1039P45.2Very low31.2Very low91 Ų91109.6 Ų109.659%0.59169%0.69SS**  -154.2154.18739.1-20.1000118.9
1040F32.2Very low31.1Very low144 Ų144106.7 Ų106.763%0.63269%0.694SS**  trans43.7137.1148.5-81.5-103.4000122.6H371 A372H371-F1040 HydrophobicContact CB-CD2 3.61Å; H371-F1040 HydrophobicContact CB-CE2 3.62Å; H371-F1040 HydrophobicContact CB-CG 4.12Å; H371-F1040 HydrophobicContact CB-CZ 4.12Å; A372-F1040 WeakPolarHBondContact O-CE1 3.32Å; A372-F1040 WeakPolarHBondContact O-CZ 3.41Å
1041G30Very low31.3Very low57 Ų57106.7 Ų106.759%0.58870%0.703SS**  cis161.3174.6-4.100000114.7
1042S27.1Very low31.3Very low125 Ų125104.7 Ų104.787%0.87471%0.708SS**  trans65.4143.217831.50000117.6
1043S27.6Very low31.1Very low107 Ų107103.8 Ų103.875%0.74872%0.715SS**  cis-164.2172.3-1.245.50000113
1044S29Very low31Very low128 Ų128106.5 Ų106.590%0.89573%0.734SS**  trans75.5147.4179.478.20000115.7
1045G29.2Very low31Very low79 Ų79106.8 Ų106.881%0.81474%0.741SS**  cis-169163.1-6.300000111
1046A33.8Very low31.1Very low101 Ų101111.4 Ų111.484%0.83576%0.757SS**  trans-128.5135.1-173.200000114.1
1047A31.5Very low31.8Very low84 Ų84113.9 Ų113.969%0.69477%0.771SS**  trans52.8120.1152.400000122.5
1048Q28.5Very low32.4Very low178 Ų178111.8 Ų111.883%0.83277%0.768SS**  trans69.2102.1131.6-64.7176.8-71.800122.3
1049S31.3Very low32.1Very low113 Ų113111.7 Ų111.779%0.7978%0.78SS**  50.5124.1111.3-49.70000123.5
1050A28.2Very low31.5Very low103 Ų103111 Ų11185%0.85179%0.79SS**  trans70.8147.1148.400000119.5
1051A33.1Very low31.3Very low88 Ų88107.2 Ų107.273%0.72779%0.791SS**  cis-165.2167.8-18.300000111.9
1052S30.5Very low31.4Very low133 Ų133114.2 Ų114.293%0.9381%0.805SS**  trans74.3123.8163-61.70000120.4
1053G25.7Very low31.9Very low79 Ų79114.6 Ų114.681%0.81480%0.797SS**  trans172.8118.917100000112.1
1054S29.1Very low32.4Very low121 Ų121118.5 Ų118.585%0.84680%0.801SS**  trans-72.2167.3-176.343.50000115.1
1055A32.5Very low32.6Very low87 Ų87115.5 Ų115.572%0.71979%0.791SS**  cis-175.2145.6-2700000111
1056Q32.7Very low32.7Very low186 Ų186116.7 Ų116.787%0.86979%0.793SS**  trans61.7167.3151.2-90.8-164.4-28.700122.1
1057P46.8Very low32.6Very low101 Ų101116.1 Ų116.166%0.65678%0.783SS**  cis-137.6143.5-20.931-10.8000118.1
1058A40.1Very low32.7Very low90 Ų90120.5 Ų120.574%0.74479%0.791SS**  trans65.1156.3130.500000126.1
1059T30.7Very low32.9Very low150 Ų150116.4 Ų116.492%0.9278%0.782SS**  trans81.3125.5165.4-20.30000117.7
1060G31.1Very low32.8Very low78 Ų78117 Ų11780%0.80478%0.784SS**  cis165.2142.9-1400000113.4
1061G29.1Very low33.9Very low63 Ų63118.1 Ų118.165%0.64978%0.784SS**  trans136.8118.9162.600000120.8
1062F31.1Very low33.7Very low205 Ų205121.9 Ų121.990%0.89979%0.786SS**  trans54.4103.5140.4-44.8-71.4000124.8
1063N38.1Very low33.7Very low132 Ų132125 Ų12571%0.70678%0.783SS**  33.1159.1118.9-88.7-25.5000123.7
1064F38.6Very low34Very low189 Ų189124.3 Ų124.383%0.82978%0.776SS**  cis-159.815914.4-116.7-48.8000112
1065G32.1Very low34.2Very low66 Ų66125.1 Ų125.168%0.6878%0.776SS**  trans118.2105.1142.500000122.5
1066A32.6Very low34.8Very low103 Ų103126.2 Ų126.285%0.85178%0.776SS**  43.2151.9126.100000124.1
1067S31Very low34.6Very low89 Ų89123.6 Ų123.662%0.62277%0.772SS**  cis-178.4147.5-14.553.90000114
1068M33.9Very low33.9Very low176 Ų176124.2 Ų124.287%0.86778%0.779SS**  trans64160.2144.9-75.6-166.7-100.100121.4
1069S31.8Very low33.3Very low93 Ų93125.6 Ų125.665%0.6578%0.784SS**  cis-174.2150.4-20.553.90000114.2
1070C30.5Very low33.4Very low124 Ų124125.8 Ų125.884%0.83878%0.779SS**  trans63.9171.3148-83.20000120.2
1071P50.5Low33.5Very low128 Ų128128.1 Ų128.183%0.83178%0.778SS**  cis-129.3-170.511.543.9-27.6000117.6
1072Q30Very low33.6Very low167 Ų167129.4 Ų129.478%0.7878%0.782SS**  trans-138.8173.7-179.1-174.7-177.4-43.300109.9
1073F30.1Very low34.4Very low197 Ų197124.9 Ų124.986%0.86477%0.773SS**  trans74150.4180-82.7-101.9000115.6
1074G31.6Very low34Very low65 Ų65126.7 Ų126.767%0.6778%0.777SS**  cis-167.9171.4-1.100000113
1075T33.2Very low33.6Very low138 Ų138126.4 Ų126.485%0.84778%0.781SS**  trans-85.3-177.2-179.155.50000111.8
1076P45.2Very low33.5Very low110 Ų110126.5 Ų126.571%0.71478%0.781SS**  cis-146.6-153.813.237.8-11.7000116.7
1077V28.3Very low33.3Very low131 Ų131126.5 Ų126.579%0.79478%0.775SS**  trans104.8128.8157.3-171.80000118.4
1078S32.5Very low33.3Very low115 Ų115132.3 Ų132.380%0.80479%0.79SS**  trans-111.7146.1170-51.60000111
1079S28.3Very low33.1Very low119 Ų119128.1 Ų128.183%0.83278%0.778SS**  trans-176.5159.3138.548.80000111.8
1080N32.7Very low33.1Very low154 Ų154134.2 Ų134.282%0.82479%0.793SS**  trans-155.1114.1176.81739.7000108.8
1081T31.8Very low33.1Very low127 Ų127132.2 Ų132.278%0.77979%0.793SS**  trans-157.8101.2177.931.30000113.5
1082A32.8Very low32.1Very low89 Ų89131.3 Ų131.374%0.73680%0.797SS**  trans61.7-174.3137.100000117.4
1083P47.1Very low32.1Very low110 Ų110127.1 Ų127.171%0.71480%0.798SS**  cis-135.5163.1-6.643.6-27.6000117.4
1084Q29.8Very low32.3Very low171 Ų171122.4 Ų122.480%0.79980%0.796SS**  trans41.9152.3132.9-65.5-71.92.300124.6
1085M29.9Very low32.3Very low183 Ų183124.1 Ų124.190%0.90180%0.804SS**  trans69.7154.1166.2-56-165.5-69.300116.9
1086G30.3Very low32.3Very low67 Ų67121.5 Ų121.569%0.69180%0.796SS**  cis-174.4151.1-5.800000111.5
1087S27.5Very low31.7Very low104 Ų104124 Ų12473%0.72780%0.803SS**  trans-89.7116.7-172.8171.30000113.2
1088F31.5Very low32Very low211 Ų211126.8 Ų126.893%0.92581%0.805SS**  trans-140.6165160.8-77.9-74.1000111.1
1089S29.1Very low32.4Very low88 Ų88127 Ų12762%0.61580%0.803SS**  trans-133.4177.1-141.9-55.20000115.9
1090F31.8Very low32.7Very low221 Ų221125.2 Ų125.297%0.96980%0.796SS**  trans91.4138.3166.1-61.9-80.8000118.6
1091G30.3Very low32.6Very low82 Ų82127 Ų12785%0.84580%0.797SS**  trans144.3103.4-175.200000109.5
1092A30.1Very low32.7Very low109 Ų109124.3 Ų124.390%0.90179%0.794SS**  trans-129.1155-165.500000113.9
1093G30.8Very low32.5Very low79 Ų79126.7 Ų126.781%0.81480%0.799SS**  trans111153.4164.800000115.3
1094A33.3Very low31.7Very low98 Ų98126.5 Ų126.581%0.8180%0.801SS**  cis-164.5167.5-1300000111
1095A32.9Very low31.9Very low101 Ų101124.5 Ų124.584%0.83580%0.8SS**  trans68.9154.8160.600000119.4
1096A32.9Very low32.7Very low82 Ų82121.2 Ų121.268%0.67879%0.792SS**  cis-166.7153.6-28.700000112.4
1097D31.3Very low32.5Very low164 Ų164123.1 Ų123.188%0.87780%0.795SS**  trans69.2159.8146.4-67.5-38.1000125
1098K35.9Very low32.6Very low188 Ų188127.8 Ų127.882%0.81780%0.803SS**  trans-108.2170-173.3-55.1171.7-179.7171.10111
1099P39.3Very low32.7Very low119 Ų119121 Ų12177%0.77379%0.792SS**  -130.2161.290.69.313000112.4
1100A34.9Very low32.9Very low82 Ų82126.7 Ų126.768%0.67881%0.809SS**  cis89.6155.228.200000115.5
1101F31.6Very low32.8Very low193 Ų193120 Ų12085%0.84680%0.803SS**  trans77.5139.3-158-62-77.1000115
1102G32.9Very low32.9Very low69 Ų69121 Ų12171%0.71180%0.802SS**  cis177.9161.1-5.800000108.2
1103T28.5Very low33.1Very low140 Ų140122 Ų12286%0.85980%0.797SS**  cis-153.8154.615.249.80000111.6
1104S31Very low33.5Very low106 Ų106124 Ų12474%0.74180%0.796SS**  trans-97.5-178.9162-51.70000109.7
1105T34Very low33.5Very low128 Ų128123 Ų12379%0.78580%0.796SS**  cis-161.9-170.210.7-10.90000106.5
1106P45.8Very low34.1Very low114 Ų114123.4 Ų123.474%0.7479%0.79SS**  cis-122.4-155.6-6.937.3-13.6000110.6
1107S28Very low34.5Very low108 Ų108127.3 Ų127.376%0.75580%0.798SS**  cis-155173.613.8-152.90000115.3
1108F29.6Very low35.2Very low202 Ų202124.9 Ų124.989%0.88679%0.791SS**  trans-66.2162177.1-83.1-119.4000113.6
1109G32.3Very low35.1Very low68 Ų68126.2 Ų126.270%0.70180%0.797SS**  trans-125.3133.7146.700000110.4
1110Q32.8Very low34.8Very low208 Ų208124.2 Ų124.297%0.97280%0.798SS**  trans-173.2142.1146-107.2-177.41800109.8
1111G31.1Very low34.7Very low81 Ų81126.2 Ų126.284%0.83581%0.807SS**  trans173.7128.217900000108.8
1112A31.6Very low35.4Very low101 Ų101122.7 Ų122.784%0.83580%0.804SS**  trans-93.8162.1-169.200000113.6
1113T34.2Very low35.4Very low130 Ų130124 Ų12480%0.79881%0.807SS**  trans-57.9158.5159.639.20000111.2
1114P40Very low35.9Very low121 Ų121123.6 Ų123.679%0.78681%0.805SS**  cis-148.8129.534.937.2-14.2000119.7
1115G33.8Very low36.3Very low78 Ų78124.5 Ų124.580%0.80481%0.808SS**  trans63.1-177.2152.900000119.6
1116P45.4Very low36.2Very low110 Ų110125 Ų12571%0.71481%0.812SS**  cis-136.4139.3-32.736.6-20.1000115.2
1117I39.7Very low35.5Very low163 Ų163128.7 Ų128.784%0.83682%0.819SS**  trans70.1160.7157.2-55.7157.8000114.6
1118P47.3Very low35.7Very low113 Ų113126.8 Ų126.873%0.73482%0.816SS**  cis-120.2-171.3-11.722.52.3000116.1
1119F34.2Very low36Very low216 Ų216127.4 Ų127.495%0.94782%0.819SS**  trans-44.1151.7169.6-71.1-106.9000118.2
1120G32.1Very low36.1Very low78 Ų78131.8 Ų131.880%0.80483%0.826SS**  trans160126.2154.200000116.2
1121S33.8Very low36.1Very low123 Ų123126.5 Ų126.586%0.8682%0.818SS**  trans-104.7177.8165.6-490000109.5
1122P45.1Very low36.2Very low120 Ų120125.9 Ų125.978%0.77981%0.812SS**  cis-143.4-166.46.743.9-24000116.1
1123A32.5Very low37Very low95 Ų95126.2 Ų126.279%0.78581%0.805SS**  trans75.416814700000121.3
1124T40.3Very low37Very low132 Ų132129.9 Ų129.981%0.8181%0.811SS**  trans-96.7145.6-16750.20000114.3
1125P39.5Very low36.7Very low125 Ų125127.3 Ų127.381%0.81281%0.806SS**  trans-98.5144.416335.7-30.1000113.2
1126V31Very low36.6Very low140 Ų140131.5 Ų131.585%0.84880%0.798SS**  trans-118.3133.6159.7169.90000107.1
1127Q31.6Very low36Very low190 Ų190134 Ų13489%0.88880%0.804SS**  trans-154.1147.6163.9-127.6173.811.600111.8
1128G31.9Very low35.9Very low68 Ų68138.9 Ų138.970%0.70182%0.819SS**  trans-134.5165.8171.600000110.2
1129F36.6Very low35.3Very low215 Ų215140.2 Ų140.294%0.94382%0.823SS**  trans-107151.7174.7-87.6-94000110.9
1130N32.9Very low35.3Very low160 Ų160136.2 Ų136.286%0.85682%0.817SS**  trans-148.1133-175.1-170.5-4000110.9
1131A33.3Very low35.5Very low97 Ų97139.4 Ų139.480%0.80282%0.818SS**  trans-151.8132.8165.600000108.4
1132G32.7Very low35.6Very low68 Ų68140.4 Ų140.470%0.70182%0.815SS**  trans-92.2-143-179.300000113
1133P49.5Very low35Very low109 Ų109141.6 Ų141.671%0.70882%0.817SS**  cis-142.9175.73.839.3-18.9000117.1
1134F33.3Very low35.2Very low206 Ų206144.7 Ų144.790%0.90482%0.82SS**  trans62.5155.5169.2-61.7-74.4000117.9
1135G33.3Very low34.8Very low67 Ų67145.6 Ų145.669%0.69182%0.82SS**  cis-161.9178.80.100000113.3
1136R33.1Very low34.5Very low166 Ų166147.2 Ų147.263%0.62682%0.821SS**  trans-78.4178.1178.2-50.3-179.3-177.4-169.6-1.5110.8A916 A917A916-R1136 HydrophobicContact CB-CG 4.37Å; A917-R1136 PolarHBondContact O-NH2 2.72Å
1137L33.3Very low34.8Very low162 Ų162147.8 Ų147.885%0.84882%0.819SS**  cis-134.4175.518.2-79.593.7000109.2
1138K35.9Very low35.1Very low266 Ų266144 Ų144100%1.15781%0.812SS**  cis-150029.2-178-178.1-179.7-178.70111.4

Retrieved 1,138 of 1,138 residues in 614.3 ms (Link to these results)