A0A3Q0KES6_SCHMA Loading...

Putative rfx5

AlphaFold DB , UniProt , Accession A0A3Q0KES6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,068 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
1M33.3Very low40.5Very low238 Ų238157.7 Ų157.7100%1.17282%0.817SS**  059.40-167.716977.600109.3
2L35.7Very low40.8Very low173 Ų173149.3 Ų149.391%0.90679%0.788SS**  trans-153.984-172.3-72.9176.2000109.5
3K35.7Very low41.4Very low184 Ų184145.2 Ų145.280%0.876%0.759SS**  trans-174120.8153.1-119.5-169.2175.8-152.50110.8D6K3-D6 IonicContact NZ-OD2 3.97Å
4S37.4Very low42.4Very low120 Ų120143.4 Ų143.484%0.83975%0.751SS**  trans-167.160.8166.657.50000109.1
5E43Very low44.1Very low174 Ų174136.3 Ų136.381%0.81373%0.726SS**  trans-126.6174.9166.3-69.8170.9115.900106
6D45.5Very low45.3Very low135 Ų135137.7 Ų137.772%0.72272%0.72SS**  trans77.159.7-175.6-45.8-37.6000116.5K3K3-D6 IonicContact NZ-OD2 3.97Å
7Q38.8Very low46.7Very low193 Ų193134.2 Ų134.290%0.90270%0.702SS**  trans-139.962.4154.5-82.1-157.3-17.200112.2
8D45Very low47.9Very low156 Ų156135.1 Ų135.183%0.83470%0.7SS**  trans-150.223.7174-104.4-41.8000114.1
9E49.4Very low48.9Very low132 Ų132133.6 Ų133.662%0.61769%0.692SS**  trans-108.8-2.3-168.4-99.2-67.2136.700116.2K13E9-K13 PolarHBondContact O-NZ 3.42Å
10D43.3Very low49.9Very low121 Ų121132.5 Ų132.565%0.64768%0.682SS**Hα-helixtrans-95-9.1-178.6-74.2-42.5000114.8K13D10-K13 IonicContact OD1-NZ 2.7Å; D10-K13 PolarHBondContact OD1-NZ 3.46Å
11C38.8Very low50.8Low109 Ų109129.5 Ų129.574%0.73667%0.673SS**Hα-helixtrans-78.4-35.3170.3-162.90000112K13C11-K13 PolarHBondContact O-N 3.09Å
12A44.3Very low52.5Low56 Ų56120.1 Ų120.146%0.46363%0.63SS.*Hα-helixtrans-66-36.1-175.500000113.7N14 G15 Y16A12-N14 VanDerWaalsContact C-N 3.33Å; A12-N14 PolarHBondContact O-N 2.95Å; A12-G15 PolarHBondContact O-N 3.42Å; A12-Y16 PolarHBondContact O-N 3.02Å; A12-Y16 VanDerWaalsContact O-N 3.15Å
13K48.5Very low53.9Low96 Ų96116.4 Ų116.442%0.41761%0.611SS.*Hα-helixtrans-57.7-43.4-177.6-61-176.9-179.674.90112.3E9 D10 C11 G15 Y16 D17E9-K13 PolarHBondContact O-NZ 3.42Å; D10-K13 IonicContact OD1-NZ 2.7Å; D10-K13 PolarHBondContact OD1-NZ 3.46Å; C11-K13 PolarHBondContact O-N 3.09Å; K13-G15 VanDerWaalsContact C-N 3.27Å; K13-G15 PolarHBondContact O-N 3.07Å; K13-Y16 PolarHBondContact O-N 3.31Å; K13-Y16 VanDerWaalsContact O-N 3.13Å; K13-D17 PolarHBondContact O-N 3.03Å
14N55.8Low55.4Low120 Ų120110.7 Ų110.764%0.64259%0.594SS**Hα-helixtrans-60.1-36.2176.7-64.5-36.7000112.5A12 F18A12-N14 VanDerWaalsContact C-N 3.33Å; A12-N14 PolarHBondContact O-N 2.95Å; N14-F18 VanDerWaalsContact O-CB 3.25Å; N14-F18 WeakPolarHBondContact O-CB 3.41Å; N14-F18 PolarHBondContact O-N 3.45Å
15G66.8Low56.7Low37 Ų37109.4 Ų109.438%0.38159%0.585SS.*Hα-helixtrans-67.9-41.2175.200000112.6A12 K13 L19A12-G15 PolarHBondContact O-N 3.42Å; K13-G15 VanDerWaalsContact C-N 3.27Å; K13-G15 PolarHBondContact O-N 3.07Å; G15-L19 WeakPolarHBondContact O-CB 3.4Å; G15-L19 WeakPolarHBondContact O-CG 3.45Å; G15-L19 PolarHBondContact O-N 3.37Å
16Y64.1Low57.9Low159 Ų159106.4 Ų106.462%0.62457%0.573SS**Hα-helixtrans-66.2-48.2177-176.8-97.3000112.3A12 K13 F18 L19 K20A12-Y16 PolarHBondContact O-N 3.02Å; A12-Y16 VanDerWaalsContact O-N 3.15Å; K13-Y16 PolarHBondContact O-N 3.31Å; K13-Y16 VanDerWaalsContact O-N 3.13Å; Y16-F18 VanDerWaalsContact C-N 3.34Å; Y16-F18 PolarHBondContact O-N 3.16Å; Y16-L19 PolarHBondContact O-N 3.2Å; Y16-K20 HydrophobicContact CD1-CD 4.44Å; Y16-K20 HydrophobicContact CE1-CD 3.87Å; Y16-K20 VanDerWaalsContact O-CB 3.24Å; Y16-K20 WeakPolarHBondContact O-CB 3.25Å; Y16-K20 PolarHBondContact O-N 3.44Å
17D68.6Low59.2Low78 Ų78102.6 Ų102.642%0.41755%0.553SS.*Hα-helixtrans-70.2-29.3179.1-79.6-52.1000112.6K13 K20 S21K13-D17 PolarHBondContact O-N 3.03Å; D17-K20 IonicContact OD1-NZ 3.22Å; D17-K20 PolarHBondContact OD1-NZ 3.34Å; D17-S21 VanDerWaalsContact O-CB 3.25Å; D17-S21 WeakPolarHBondContact O-CB 3.29Å; D17-S21 PolarHBondContact O-N 2.89Å; D17-S21 PolarHBondContact O-OG 3.44Å
18F69.1Low61Low151 Ų15197.5 Ų97.566%0.66254%0.535SS*.Hα-helixtrans-66.5-44.5168.6-175.2-96.2000112N14 Y16 K20 S21 S22N14-F18 VanDerWaalsContact O-CB 3.25Å; N14-F18 WeakPolarHBondContact O-CB 3.41Å; N14-F18 PolarHBondContact O-N 3.45Å; Y16-F18 VanDerWaalsContact C-N 3.34Å; Y16-F18 PolarHBondContact O-N 3.16Å; F18-K20 PolarHBondContact O-N 3.15Å; F18-S21 PolarHBondContact O-N 2.72Å; F18-S22 VanDerWaalsContact O-CB 3.23Å; F18-S22 WeakPolarHBondContact O-CB 3.48Å; F18-S22 PolarHBondContact O-N 2.75Å
19L65.4Low62.4Low106 Ų10695.6 Ų95.656%0.55552%0.521SS*.Hα-helixtrans-62.3-41.7175-80169.1000112.1G15 Y16 S22 L23G15-L19 WeakPolarHBondContact O-CB 3.4Å; G15-L19 WeakPolarHBondContact O-CG 3.45Å; G15-L19 PolarHBondContact O-N 3.37Å; Y16-L19 PolarHBondContact O-N 3.2Å; L19-S22 PolarHBondContact O-N 2.8Å; L19-L23 VanDerWaalsContact O-CB 3.28Å; L19-L23 WeakPolarHBondContact O-CB 3.25Å; L19-L23 VanDerWaalsContact O-CG 3.31Å; L19-L23 WeakPolarHBondContact O-CG 3.38Å; L19-L23 PolarHBondContact O-N 3.4Å
20K70.6Confident63.2Low111 Ų11193.2 Ų93.248%0.48351%0.512SS..Hα-helixtrans-66.6-40176.4-180179.9163.2-159.40112.1Y16 D17 F18 S24Y16-K20 HydrophobicContact CD1-CD 4.44Å; Y16-K20 HydrophobicContact CE1-CD 3.87Å; Y16-K20 VanDerWaalsContact O-CB 3.24Å; Y16-K20 WeakPolarHBondContact O-CB 3.25Å; Y16-K20 PolarHBondContact O-N 3.44Å; D17-K20 IonicContact OD1-NZ 3.22Å; D17-K20 PolarHBondContact OD1-NZ 3.34Å; F18-K20 PolarHBondContact O-N 3.15Å; K20-S24 WeakPolarHBondContact O-CB 3.23Å; K20-S24 PolarHBondContact O-N 2.82Å; K20-S24 PolarHBondContact O-OG 2.85Å
21S68.6Low64.5Low71 Ų7190.1 Ų90.150%0.49750%0.498SS..Hα-helixtrans-66.4-43.3172.8-60.10000111.5D17 F18 S24 S25D17-S21 VanDerWaalsContact O-CB 3.25Å; D17-S21 WeakPolarHBondContact O-CB 3.29Å; D17-S21 PolarHBondContact O-N 2.89Å; D17-S21 PolarHBondContact O-OG 3.44Å; F18-S21 PolarHBondContact O-N 2.72Å; S21-S24 WeakPolarHBondContact CA-OG 3.28Å; S21-S24 PolarHBondContact O-N 3.48Å; S21-S24 PolarHBondContact O-OG 3.15Å; S21-S25 WeakPolarHBondContact O-CB 3.31Å; S21-S25 PolarHBondContact O-N 2.99Å; S21-S25 PolarHBondContact O-OG 3.25Å
22S68.9Low66.1Low40 Ų4089.1 Ų89.128%0.2848%0.478SS..Hα-helixtrans-62.3-54.5176.6-1740000111.1F18 L19 S24 S25 I26F18-S22 VanDerWaalsContact O-CB 3.23Å; F18-S22 WeakPolarHBondContact O-CB 3.48Å; F18-S22 PolarHBondContact O-N 2.75Å; L19-S22 PolarHBondContact O-N 2.8Å; S22-S24 VanDerWaalsContact C-N 3.34Å; S22-S24 PolarHBondContact O-N 3.35Å; S22-S25 PolarHBondContact O-N 3.49Å; S22-S25 PolarHBondContact O-OG 2.94Å; S22-I26 VanDerWaalsContact O-CG1 3.29Å; S22-I26 WeakPolarHBondContact O-CG1 3.35Å; S22-I26 PolarHBondContact O-N 3.02Å; S22-I26 WeakPolarHBondContact OG-CD1 3.39Å
23L64.9Low67.6Low96 Ų9689.9 Ų89.950%0.50348%0.478SS..Hα-helixtrans-59-40175.8-75.1168.1000112.7L19 S25 I26 I27L19-L23 VanDerWaalsContact O-CB 3.28Å; L19-L23 WeakPolarHBondContact O-CB 3.25Å; L19-L23 VanDerWaalsContact O-CG 3.31Å; L19-L23 WeakPolarHBondContact O-CG 3.38Å; L19-L23 PolarHBondContact O-N 3.4Å; L23-S25 VanDerWaalsContact C-N 3.27Å; L23-S25 PolarHBondContact O-N 2.83Å; L23-I26 PolarHBondContact O-N 3.46Å; L23-I27 WeakPolarHBondContact O-CB 3.43Å; L23-I27 VanDerWaalsContact O-CG1 3.25Å; L23-I27 WeakPolarHBondContact O-CG1 3.2Å; L23-I27 PolarHBondContact O-N 2.99Å
24S66.6Low68.6Low64 Ų6492.7 Ų92.745%0.44849%0.486SS..Hα-helixtrans-73.4-16.2177.160.70000114.1K20 S21 S22 R32K20-S24 WeakPolarHBondContact O-CB 3.23Å; K20-S24 PolarHBondContact O-N 2.82Å; K20-S24 PolarHBondContact O-OG 2.85Å; S21-S24 WeakPolarHBondContact CA-OG 3.28Å; S21-S24 PolarHBondContact O-N 3.48Å; S21-S24 PolarHBondContact O-OG 3.15Å; S22-S24 VanDerWaalsContact C-N 3.34Å; S22-S24 PolarHBondContact O-N 3.35Å; S24-R32 PolarHBondContact O-NH2 3.37Å
25S64.2Low69.5Low92 Ų9290.6 Ų90.664%0.64347%0.473SS*.Hα-helixtrans-87.1-32.6168.377.30000113.5S21 S22 L23S21-S25 WeakPolarHBondContact O-CB 3.31Å; S21-S25 PolarHBondContact O-N 2.99Å; S21-S25 PolarHBondContact O-OG 3.25Å; S22-S25 PolarHBondContact O-N 3.49Å; S22-S25 PolarHBondContact O-OG 2.94Å; L23-S25 VanDerWaalsContact C-N 3.27Å; L23-S25 PolarHBondContact O-N 2.83Å
26I69.1Low69.8Low111 Ų11193 Ų9357%0.56948%0.478SS*.Hα-helixtrans-79.6-41.3-179.4-68.3164.5000111.1S22 L23 T28S22-I26 VanDerWaalsContact O-CG1 3.29Å; S22-I26 WeakPolarHBondContact O-CG1 3.35Å; S22-I26 PolarHBondContact O-N 3.02Å; S22-I26 WeakPolarHBondContact OG-CD1 3.39Å; L23-I26 PolarHBondContact O-N 3.46Å; I26-T28 PolarHBondContact O-N 3.15Å
27I73Confident70.3Confident56 Ų5687.9 Ų87.929%0.28747%0.468SS..SBendtrans-74.992.6175.1-58.5170.6000108L23 T31 R32 I35L23-I27 WeakPolarHBondContact O-CB 3.43Å; L23-I27 VanDerWaalsContact O-CG1 3.25Å; L23-I27 WeakPolarHBondContact O-CG1 3.2Å; L23-I27 PolarHBondContact O-N 2.99Å; I27-T31 HydrophobicContact CG2-CG2 4.08Å; I27-R32 HydrophobicContact CG2-CG 3.63Å; I27-R32 PolarHBondContact O-NH2 3.13Å; I27-I35 HydrophobicContact CG2-CD1 4.44Å
28T75.4Confident70.4Confident86 Ų8689 Ų8953%0.52847%0.474SS..  trans-55.4149.7175-57.10000110.1I26 D30 T31 R32I26-T28 PolarHBondContact O-N 3.15Å; T28-D30 HydrophobicContact CG2-CB 4.21Å; T28-D30 PolarHBondContact O-N 2.76Å; T28-T31 WeakPolarHBondContact O-CA 3.4Å; T28-T31 VanDerWaalsContact O-CB 3.23Å; T28-T31 WeakPolarHBondContact O-CB 3.25Å; T28-T31 PolarHBondContact O-N 2.95Å; T28-R32 PolarHBondContact O-N 3.04Å
29Q74.1Confident70.7Confident116 Ų11686.8 Ų86.854%0.54247%0.468SS..Hα-helixtrans-58.8-35.1-179.2-173.460.721.400112.6T31 R32 T33Q29-T31 VanDerWaalsContact C-N 3.34Å; Q29-T31 PolarHBondContact O-N 3.37Å; Q29-R32 WeakPolarHBondContact O-CB 3.44Å; Q29-R32 PolarHBondContact O-N 2.8Å; Q29-T33 PolarHBondContact O-N 3.34Å; Q29-T33 PolarHBondContact O-OG1 2.7Å
30D66.2Low71.1Confident82 Ų8288.7 Ų88.744%0.43947%0.474SS..Hα-helixtrans-57.2-44.4169.6174105.5000111.8T28 R32 T33 R34T28-D30 HydrophobicContact CG2-CB 4.21Å; T28-D30 PolarHBondContact O-N 2.76Å; D30-R32 VanDerWaalsContact C-N 3.35Å; D30-R32 PolarHBondContact O-N 3.26Å; D30-T33 WeakPolarHBondContact CA-OG1 3.32Å; D30-T33 PolarHBondContact O-N 2.89Å; D30-T33 PolarHBondContact O-OG1 3.41Å; D30-R34 WeakPolarHBondContact O-CG 3.24Å; D30-R34 PolarHBondContact O-N 2.75Å; D30-R34 IonicContact OD1-NE 2.71Å; D30-R34 IonicContact OD1-NH2 2.73Å; D30-R34 PolarHBondContact OD1-NH2 3.4Å; D30-R34 IonicContact OD2-CZ 3.33Å; D30-R34 IonicContact OD2-NE 3.41Å; D30-R34 PolarHBondContact OD2-NE 3.33Å; D30-R34 IonicContact OD2-NH2 3.1Å; D30-R34 PolarHBondContact OD2-NH2 3.41Å
31T72.3Confident71Confident55 Ų5587.1 Ų87.134%0.33747%0.468SS..Hα-helixtrans-62.5-38.4174.3-42.50000112.1I27 T28 Q29 R34 I35I27-T31 HydrophobicContact CG2-CG2 4.08Å; T28-T31 WeakPolarHBondContact O-CA 3.4Å; T28-T31 VanDerWaalsContact O-CB 3.23Å; T28-T31 WeakPolarHBondContact O-CB 3.25Å; T28-T31 PolarHBondContact O-N 2.95Å; Q29-T31 VanDerWaalsContact C-N 3.34Å; Q29-T31 PolarHBondContact O-N 3.37Å; T31-R34 PolarHBondContact O-N 2.85Å; T31-I35 HydrophobicContact CG2-CD1 4.2Å; T31-I35 VanDerWaalsContact O-CG1 3.31Å; T31-I35 WeakPolarHBondContact O-CG1 3.46Å; T31-I35 PolarHBondContact O-N 3.4Å
32R72.6Confident70.7Confident88 Ų8886 Ų8633%0.33246%0.458SS..Hα-helixtrans-62-51.3171.9-63.6-165.6-172.512515.3111.2S24 I27 T28 Q29 D30 R34 I35 D36S24-R32 PolarHBondContact O-NH2 3.37Å; I27-R32 HydrophobicContact CG2-CG 3.63Å; I27-R32 PolarHBondContact O-NH2 3.13Å; T28-R32 PolarHBondContact O-N 3.04Å; Q29-R32 WeakPolarHBondContact O-CB 3.44Å; Q29-R32 PolarHBondContact O-N 2.8Å; D30-R32 VanDerWaalsContact C-N 3.35Å; D30-R32 PolarHBondContact O-N 3.26Å; R32-R34 PolarHBondContact O-N 2.89Å; R32-R34 VanDerWaalsContact O-N 3.14Å; R32-I35 CarbonylContact O-C 3.57Å; R32-I35 WeakPolarHBondContact O-CA 3.47Å; R32-I35 WeakPolarHBondContact O-CB 3.23Å; R32-I35 PolarHBondContact O-N 3.29Å; R32-D36 PolarHBondContact O-N 3.49Å; R32-D36 VanDerWaalsContact O-OD2 3.1Å
33T75.8Confident70.7Confident73 Ų7387.1 Ų87.145%0.44847%0.47SS..Hα-helixtrans-60.6-28.9179.856.10000113.5Q29 D30 A37Q29-T33 PolarHBondContact O-N 3.34Å; Q29-T33 PolarHBondContact O-OG1 2.7Å; D30-T33 WeakPolarHBondContact CA-OG1 3.32Å; D30-T33 PolarHBondContact O-N 2.89Å; D30-T33 PolarHBondContact O-OG1 3.41Å; T33-A37 WeakPolarHBondContact O-CB 3.35Å; T33-A37 PolarHBondContact O-N 2.69Å
34R68.5Low70.8Confident155 Ų15587 Ų8759%0.58548%0.477SS*.Hα-helixtrans-69.6-43.4169.3-67.1178.8-154.9-144.41.5112.5D30 T31 R32 A37 L38D30-R34 WeakPolarHBondContact O-CG 3.24Å; D30-R34 PolarHBondContact O-N 2.75Å; D30-R34 IonicContact OD1-NE 2.71Å; D30-R34 IonicContact OD1-NH2 2.73Å; D30-R34 PolarHBondContact OD1-NH2 3.4Å; D30-R34 IonicContact OD2-CZ 3.33Å; D30-R34 IonicContact OD2-NE 3.41Å; D30-R34 PolarHBondContact OD2-NE 3.33Å; D30-R34 IonicContact OD2-NH2 3.1Å; D30-R34 PolarHBondContact OD2-NH2 3.41Å; T31-R34 PolarHBondContact O-N 2.85Å; R32-R34 PolarHBondContact O-N 2.89Å; R32-R34 VanDerWaalsContact O-N 3.14Å; R34-A37 PolarHBondContact O-N 3.22Å; R34-L38 WeakPolarHBondContact O-CB 3.41Å; R34-L38 VanDerWaalsContact O-CG 3.25Å; R34-L38 WeakPolarHBondContact O-CG 3.46Å; R34-L38 PolarHBondContact O-N 3.13Å
35I74.3Confident70.5Confident75 Ų7585.3 Ų85.339%0.38546%0.463SS..Hα-helixtrans-63.6-46.1176-69.4163.5000110.2I27 T31 R32 A37 L38 I39I27-I35 HydrophobicContact CG2-CD1 4.44Å; T31-I35 HydrophobicContact CG2-CD1 4.2Å; T31-I35 VanDerWaalsContact O-CG1 3.31Å; T31-I35 WeakPolarHBondContact O-CG1 3.46Å; T31-I35 PolarHBondContact O-N 3.4Å; R32-I35 CarbonylContact O-C 3.57Å; R32-I35 WeakPolarHBondContact O-CA 3.47Å; R32-I35 WeakPolarHBondContact O-CB 3.23Å; R32-I35 PolarHBondContact O-N 3.29Å; I35-A37 PolarHBondContact O-N 2.73Å; I35-L38 PolarHBondContact O-N 3.41Å; I35-I39 HydrophobicContact CG2-CD1 3.73Å; I35-I39 HydrophobicContact CG2-CG1 4.42Å; I35-I39 WeakPolarHBondContact O-CB 3.31Å; I35-I39 VanDerWaalsContact O-CG1 3.28Å; I35-I39 WeakPolarHBondContact O-CG1 3.46Å; I35-I39 PolarHBondContact O-N 2.71Å
36D73.9Confident70.8Confident89 Ų8986 Ų8648%0.47645%0.454SS..Hα-helixtrans-62.6-41.6178-59.7-36.7000111.3R32 I39 Q40R32-D36 PolarHBondContact O-N 3.49Å; R32-D36 VanDerWaalsContact O-OD2 3.1Å; D36-I39 PolarHBondContact O-N 2.87Å; D36-Q40 WeakPolarHBondContact O-CB 3.45Å; D36-Q40 PolarHBondContact O-N 3.22Å
37A73.9Confident70.4Confident51 Ų5184.2 Ų84.242%0.42145%0.446SS..Hα-helixtrans-65.5-39.817400000112.7T33 R34 I35 Q40 E41T33-A37 WeakPolarHBondContact O-CB 3.35Å; T33-A37 PolarHBondContact O-N 2.69Å; R34-A37 PolarHBondContact O-N 3.22Å; I35-A37 PolarHBondContact O-N 2.73Å; A37-Q40 PolarHBondContact O-N 2.99Å; A37-E41 WeakPolarHBondContact O-CB 3.38Å; A37-E41 PolarHBondContact O-N 2.82Å
38L71Confident69.8Low102 Ų10283.8 Ų83.853%0.53445%0.445SS..Hα-helixtrans-66.5-38.8174-75167.4000111.8R34 I35 Q40 E41 V42R34-L38 WeakPolarHBondContact O-CB 3.41Å; R34-L38 VanDerWaalsContact O-CG 3.25Å; R34-L38 WeakPolarHBondContact O-CG 3.46Å; R34-L38 PolarHBondContact O-N 3.13Å; I35-L38 PolarHBondContact O-N 3.41Å; L38-Q40 VanDerWaalsContact C-N 3.35Å; L38-E41 PolarHBondContact O-N 3.25Å; L38-V42 WeakPolarHBondContact O-CB 3.31Å; L38-V42 VanDerWaalsContact O-CG2 3.29Å; L38-V42 WeakPolarHBondContact O-CG2 3.3Å; L38-V42 PolarHBondContact O-N 3.44Å
39I75.1Confident69.3Low104 Ų10480.2 Ų80.253%0.53342%0.423SS..Hα-helixtrans-63.8-42.4173.2-71166.5000110.1I35 D36 V42 A43I35-I39 HydrophobicContact CG2-CD1 3.73Å; I35-I39 HydrophobicContact CG2-CG1 4.42Å; I35-I39 WeakPolarHBondContact O-CB 3.31Å; I35-I39 VanDerWaalsContact O-CG1 3.28Å; I35-I39 WeakPolarHBondContact O-CG1 3.46Å; I35-I39 PolarHBondContact O-N 2.71Å; D36-I39 PolarHBondContact O-N 2.87Å; I39-V42 PolarHBondContact O-N 3.18Å; I39-A43 WeakPolarHBondContact O-CB 3.37Å; I39-A43 PolarHBondContact O-N 3.01Å
40Q73.2Confident68.8Low145 Ų14577 Ų7768%0.67841%0.407SS*.Hα-helixtrans-66-39.8176.7-168.6173.327.300112.2D36 A37 L38 A43 S44D36-Q40 WeakPolarHBondContact O-CB 3.45Å; D36-Q40 PolarHBondContact O-N 3.22Å; A37-Q40 PolarHBondContact O-N 2.99Å; L38-Q40 VanDerWaalsContact C-N 3.35Å; Q40-A43 PolarHBondContact O-N 2.93Å; Q40-S44 WeakPolarHBondContact O-CB 3.04Å; Q40-S44 PolarHBondContact O-N 3.15Å
41E69.1Low68.6Low79 Ų7973.4 Ų73.437%0.36939%0.388SS..Hα-helixtrans-64.5-50.4174.2-175.7169.6-158.700111A37 L38 A43 S44 L45 S103A37-E41 WeakPolarHBondContact O-CB 3.38Å; A37-E41 PolarHBondContact O-N 2.82Å; L38-E41 PolarHBondContact O-N 3.25Å; E41-A43 VanDerWaalsContact C-N 3.29Å; E41-A43 PolarHBondContact O-N 3.42Å; E41-S44 WeakPolarHBondContact O-CB 3.44Å; E41-S44 PolarHBondContact O-N 3.3Å; E41-S44 PolarHBondContact O-OG 2.96Å; E41-L45 PolarHBondContact O-N 3.02Å; E41-S103 WeakPolarHBondContact OE1-CB 3.2Å; E41-S103 PolarHBondContact OE1-OG 2.97Å
42V63.2Low68Low48 Ų4873.3 Ų73.329%0.29139%0.385SS..Hα-helixtrans-62.4-34.8177171.40000111.9L38 I39 S44 K50 F53L38-V42 WeakPolarHBondContact O-CB 3.31Å; L38-V42 VanDerWaalsContact O-CG2 3.29Å; L38-V42 WeakPolarHBondContact O-CG2 3.3Å; L38-V42 PolarHBondContact O-N 3.44Å; I39-V42 PolarHBondContact O-N 3.18Å; V42-S44 VanDerWaalsContact C-N 3.34Å; V42-K50 WeakPolarHBondContact O-CE 3.41Å; V42-F53 HydrophobicContact CG1-CE1 4.41Å; V42-F53 HydrophobicContact CG2-CE1 3.86Å; V42-F53 HydrophobicContact CG2-CE2 4.31Å; V42-F53 HydrophobicContact CG2-CZ 3.75Å
43A67.8Low67.5Low62 Ų6272 Ų7251%0.51238%0.382SS..Hα-helixtrans-65.6-36.1172.900000112.4I39 Q40 E41 K50I39-A43 WeakPolarHBondContact O-CB 3.37Å; I39-A43 PolarHBondContact O-N 3.01Å; Q40-A43 PolarHBondContact O-N 2.93Å; E41-A43 VanDerWaalsContact C-N 3.29Å; E41-A43 PolarHBondContact O-N 3.42Å; A43-K50 WeakPolarHBondContact O-CE 3.44Å; A43-K50 PolarHBondContact O-NZ 3.03Å; A43-K50 VanDerWaalsContact O-NZ 3.08Å
44S67.4Low66.7Low93 Ų9372.4 Ų72.465%0.6539%0.387SS*.Hα-helixtrans-74-20.318079.50000114.8Q40 E41 V42Q40-S44 WeakPolarHBondContact O-CB 3.04Å; Q40-S44 PolarHBondContact O-N 3.15Å; E41-S44 WeakPolarHBondContact O-CB 3.44Å; E41-S44 PolarHBondContact O-N 3.3Å; E41-S44 PolarHBondContact O-OG 2.96Å; V42-S44 VanDerWaalsContact C-N 3.34Å
45L61.4Low66.1Low30 Ų3066.8 Ų66.816%0.15737%0.368CS..SBendtrans-58141.4174.4-68.5179.8000111E41 E49 K50 F53E41-L45 PolarHBondContact O-N 3.02Å; L45-E49 HydrophobicContact CB-CB 4.04Å; L45-E49 HydrophobicContact CD2-CB 4.18Å; L45-K50 HydrophobicContact CB-CG 3.7Å; L45-K50 HydrophobicContact CD1-CG 4.45Å; L45-K50 WeakPolarHBondContact O-CE 3.32Å; L45-K50 PolarHBondContact O-NZ 2.84Å; L45-F53 HydrophobicContact CD1-CB 4.37Å; L45-F53 HydrophobicContact CD1-CG 4.49Å
46K69Low65.1Low106 Ų10666.4 Ų66.446%0.46137%0.367SS..  trans-64.3156.5169.2-64.4165.3-174.6155.50109.4V48 E49 K50K46-V48 VanDerWaalsContact C-N 3.28Å; K46-V48 PolarHBondContact O-N 3.23Å; K46-E49 HydrophobicContact CB-CG 4.29Å; K46-E49 VanDerWaalsContact CB-OE2 3.3Å; K46-E49 WeakPolarHBondContact CB-OE2 3.28Å; K46-E49 WeakPolarHBondContact CG-OE2 3.48Å; K46-E49 PolarHBondContact N-OE2 3.23Å; K46-E49 CarbonylContact O-C 3.57Å; K46-E49 WeakPolarHBondContact O-CA 3.25Å; K46-E49 VanDerWaalsContact O-CB 3.31Å; K46-E49 WeakPolarHBondContact O-CB 3.41Å; K46-E49 PolarHBondContact O-N 3.45Å; K46-K50 PolarHBondContact O-N 2.93Å
47D62.1Low63.6Low74 Ų7466.1 Ų66.140%0.39637%0.365SS..Hα-helixtrans-66.7-30.2-170.4-60.9-56.6000113.6E49 K50 L51 Y285 V289D47-E49 VanDerWaalsContact C-N 3.3Å; D47-E49 PolarHBondContact O-N 2.83Å; D47-K50 PolarHBondContact O-N 3.43Å; D47-K50 WeakPolarHBondContact OD1-CD 3.41Å; D47-K50 IonicContact OD1-NZ 2.66Å; D47-K50 PolarHBondContact OD1-NZ 3.24Å; D47-L51 WeakPolarHBondContact O-CB 3.18Å; D47-L51 PolarHBondContact O-N 2.94Å; D47-Y285 WeakPolarHBondContact CA-OH 3.37Å; D47-Y285 HydrophobicContact CB-CE1 4.2Å; D47-Y285 WeakPolarHBondContact CB-OH 3.47Å; D47-Y285 VanDerWaalsContact CG-OH 3.29Å; D47-Y285 WeakPolarHBondContact O-CE1 3.12Å; D47-Y285 PolarHBondContact O-OH 3.11Å; D47-Y285 PolarHBondContact OD1-OH 3.18Å; D47-V289 HydrophobicContact CB-CG2 3.53Å
48V60.6Low62Low46 Ų4667.3 Ų67.328%0.27937%0.368SS..Hα-helixtrans-63.5-33.7168.3-177.50000112.5K46 L52 V289K46-V48 VanDerWaalsContact C-N 3.28Å; K46-V48 PolarHBondContact O-N 3.23Å; V48-L52 WeakPolarHBondContact O-CB 3.49Å; V48-L52 PolarHBondContact O-N 3.17Å; V48-V289 HydrophobicContact CG2-CG1 3.91Å
49E63.2Low60.5Low12 Ų1268.3 Ų68.36%0.05638%0.378CS..Hα-helixtrans-75.3-36.4177.8-63.6168.2145.200111.3L45 K46 D47 L52 F53 S107 V110L45-E49 HydrophobicContact CB-CB 4.04Å; L45-E49 HydrophobicContact CD2-CB 4.18Å; K46-E49 HydrophobicContact CB-CG 4.29Å; K46-E49 VanDerWaalsContact CB-OE2 3.3Å; K46-E49 WeakPolarHBondContact CB-OE2 3.28Å; K46-E49 WeakPolarHBondContact CG-OE2 3.48Å; K46-E49 PolarHBondContact N-OE2 3.23Å; K46-E49 CarbonylContact O-C 3.57Å; K46-E49 WeakPolarHBondContact O-CA 3.25Å; K46-E49 VanDerWaalsContact O-CB 3.31Å; K46-E49 WeakPolarHBondContact O-CB 3.41Å; K46-E49 PolarHBondContact O-N 3.45Å; D47-E49 VanDerWaalsContact C-N 3.3Å; D47-E49 PolarHBondContact O-N 2.83Å; E49-L52 PolarHBondContact O-N 3.29Å; E49-F53 WeakPolarHBondContact O-CB 3.22Å; E49-F53 PolarHBondContact O-N 3.43Å; E49-S107 WeakPolarHBondContact OE1-CA 3.47Å; E49-S107 VanDerWaalsContact OE1-CB 3.24Å; E49-S107 WeakPolarHBondContact OE1-CB 3.33Å; E49-S107 PolarHBondContact OE1-OG 3.49Å; E49-V110 HydrophobicContact CG-CG2 4.32Å
50K64Low58.7Low47 Ų4769.6 Ų69.620%0.20439%0.386CS..Hα-helixtrans-64.2-43.7170.1-67.9169.9177.1127.60111.8V42 A43 L45 K46 D47 L52 F53 C54 Y285V42-K50 WeakPolarHBondContact O-CE 3.41Å; A43-K50 WeakPolarHBondContact O-CE 3.44Å; A43-K50 PolarHBondContact O-NZ 3.03Å; A43-K50 VanDerWaalsContact O-NZ 3.08Å; L45-K50 HydrophobicContact CB-CG 3.7Å; L45-K50 HydrophobicContact CD1-CG 4.45Å; L45-K50 WeakPolarHBondContact O-CE 3.32Å; L45-K50 PolarHBondContact O-NZ 2.84Å; K46-K50 PolarHBondContact O-N 2.93Å; D47-K50 PolarHBondContact O-N 3.43Å; D47-K50 WeakPolarHBondContact OD1-CD 3.41Å; D47-K50 IonicContact OD1-NZ 2.66Å; D47-K50 PolarHBondContact OD1-NZ 3.24Å; K50-L52 VanDerWaalsContact C-N 3.3Å; K50-L52 PolarHBondContact O-N 3.07Å; K50-F53 WeakPolarHBondContact O-CB 3.07Å; K50-F53 PolarHBondContact O-N 3.08Å; K50-C54 PolarHBondContact O-N 3.41Å; K50-C54 PolarHBondContact O-SG 2.99Å; K50-C54 VanDerWaalsContact O-SG 3.39Å; K50-Y285 HydrophobicContact CB-CE1 4.42Å; K50-Y285 VanDerWaalsContact CB-OH 3.31Å; K50-Y285 WeakPolarHBondContact CB-OH 3.45Å; K50-Y285 WeakPolarHBondContact CD-OH 3.35Å
51L61.7Low56.8Low7 Ų770 Ų704%0.03739%0.393CS..Hα-helixtrans-58.9-43.2174-128.9165.7000111.1D47 L55 L282 Y285 V289 F290D47-L51 WeakPolarHBondContact O-CB 3.18Å; D47-L51 PolarHBondContact O-N 2.94Å; L51-L55 HydrophobicContact CD2-CD1 3.72Å; L51-L55 HydrophobicContact CD2-CG 4.41Å; L51-L55 WeakPolarHBondContact O-CB 3.28Å; L51-L55 VanDerWaalsContact O-CG 3.3Å; L51-L55 WeakPolarHBondContact O-CG 3.29Å; L51-L55 PolarHBondContact O-N 2.77Å; L51-L282 HydrophobicContact CD2-CD2 4.08Å; L51-Y285 HydrophobicContact CB-CD1 4.38Å; L51-Y285 HydrophobicContact CB-CE1 4.09Å; L51-Y285 HydrophobicContact CD1-CD1 3.81Å; L51-Y285 HydrophobicContact CD1-CE1 4.13Å; L51-Y285 HydrophobicContact CG-CD1 3.71Å; L51-Y285 HydrophobicContact CG-CE1 3.93Å; L51-V289 HydrophobicContact CD1-CG2 4.47Å; L51-F290 HydrophobicContact CD1-CE2 4.26Å
52L61.3Low55.2Low53 Ų5371.7 Ų71.728%0.27741%0.409SS..Hα-helixtrans-65.9-42.4175.9-171.466000111.8V48 E49 K50 L55 L56 V110V48-L52 WeakPolarHBondContact O-CB 3.49Å; V48-L52 PolarHBondContact O-N 3.17Å; E49-L52 PolarHBondContact O-N 3.29Å; K50-L52 VanDerWaalsContact C-N 3.3Å; K50-L52 PolarHBondContact O-N 3.07Å; L52-L55 CarbonylContact O-C 3.53Å; L52-L55 PolarHBondContact O-N 2.65Å; L52-L56 HydrophobicContact CD1-CD1 3.83Å; L52-L56 HydrophobicContact CG-CD1 4.28Å; L52-L56 HydrophobicContact CG-CD2 4.35Å; L52-L56 WeakPolarHBondContact O-CB 3.43Å; L52-L56 WeakPolarHBondContact O-CD1 3.5Å; L52-L56 PolarHBondContact O-N 2.79Å; L52-L56 VanDerWaalsContact O-N 3.09Å; L52-V110 HydrophobicContact CD2-CG2 4.31Å
53F61.1Low53.8Low60 Ų6078 Ų7826%0.26344%0.435SS..Hα-helixtrans-59.2-52.1176.8-178.9-98.3000111.7V42 L45 E49 K50 L55 L56 L57V42-F53 HydrophobicContact CG1-CE1 4.41Å; V42-F53 HydrophobicContact CG2-CE1 3.86Å; V42-F53 HydrophobicContact CG2-CE2 4.31Å; V42-F53 HydrophobicContact CG2-CZ 3.75Å; L45-F53 HydrophobicContact CD1-CB 4.37Å; L45-F53 HydrophobicContact CD1-CG 4.49Å; E49-F53 WeakPolarHBondContact O-CB 3.22Å; E49-F53 PolarHBondContact O-N 3.43Å; K50-F53 WeakPolarHBondContact O-CB 3.07Å; K50-F53 PolarHBondContact O-N 3.08Å; F53-L55 PolarHBondContact O-N 3.11Å; F53-L56 PolarHBondContact O-N 3.14Å; F53-L57 HydrophobicContact CD1-CD1 4.37Å; F53-L57 HydrophobicContact CD1-CG 4.48Å; F53-L57 HydrophobicContact CE1-CD1 4Å; F53-L57 HydrophobicContact CE1-CD2 4.13Å; F53-L57 HydrophobicContact CE1-CG 4.27Å; F53-L57 HydrophobicContact CE2-CD2 4.18Å; F53-L57 HydrophobicContact CZ-CD2 3.86Å; F53-L57 HydrophobicContact CZ-CG 4.49Å; F53-L57 PolarHBondContact O-N 2.92Å
54C58.1Low52.1Low82 Ų8280 Ų8055%0.55445%0.445SS*.Hα-helixtrans-60.6-26.2176.7-66.70000113.4K50K50-C54 PolarHBondContact O-N 3.41Å; K50-C54 PolarHBondContact O-SG 2.99Å; K50-C54 VanDerWaalsContact O-SG 3.39Å
55L57.1Low50.3Low38 Ų3881.4 Ų81.420%0.19946%0.455CS..THydrogen-bonded Turntrans-92.52.7175.2-67.4172.5000114.1L51 L52 F53 L282 H316L51-L55 HydrophobicContact CD2-CD1 3.72Å; L51-L55 HydrophobicContact CD2-CG 4.41Å; L51-L55 WeakPolarHBondContact O-CB 3.28Å; L51-L55 VanDerWaalsContact O-CG 3.3Å; L51-L55 WeakPolarHBondContact O-CG 3.29Å; L51-L55 PolarHBondContact O-N 2.77Å; L52-L55 CarbonylContact O-C 3.53Å; L52-L55 PolarHBondContact O-N 2.65Å; F53-L55 PolarHBondContact O-N 3.11Å; L55-L282 HydrophobicContact CD2-CD1 4.12Å; L55-L282 HydrophobicContact CD2-CD2 4.22Å; L55-L282 HydrophobicContact CG-CD2 4.38Å; L55-H316 PolarHBondContact O-CE1 3.35Å; L55-H316 PolarHBondContact O-ND1 2.9Å
56L52.4Low48.7Very low67 Ų6787.5 Ų87.535%0.35148%0.482SS..THydrogen-bonded Turntrans-121.7-10-179-102.763.2000114.8L52 F53 P58L52-L56 HydrophobicContact CD1-CD1 3.83Å; L52-L56 HydrophobicContact CG-CD1 4.28Å; L52-L56 HydrophobicContact CG-CD2 4.35Å; L52-L56 WeakPolarHBondContact O-CB 3.43Å; L52-L56 WeakPolarHBondContact O-CD1 3.5Å; L52-L56 PolarHBondContact O-N 2.79Å; L52-L56 VanDerWaalsContact O-N 3.09Å; F53-L56 PolarHBondContact O-N 3.14Å; L56-P58 WeakPolarHBondContact O-CD 3.38Å
57L43.4Very low46.7Very low83 Ų8386.7 Ų86.744%0.43549%0.489SS..PPolyproline II helixtrans-62.4122.9179.6-75.2175.5000111.8F53F53-L57 HydrophobicContact CD1-CD1 4.37Å; F53-L57 HydrophobicContact CD1-CG 4.48Å; F53-L57 HydrophobicContact CE1-CD1 4Å; F53-L57 HydrophobicContact CE1-CD2 4.13Å; F53-L57 HydrophobicContact CE1-CG 4.27Å; F53-L57 HydrophobicContact CE2-CD2 4.18Å; F53-L57 HydrophobicContact CZ-CD2 3.86Å; F53-L57 HydrophobicContact CZ-CG 4.49Å; F53-L57 PolarHBondContact O-N 2.92Å
58P39.2Very low44.9Very low76 Ų7692.2 Ų92.249%0.49452%0.517SS..PPolyproline II helixtrans-69.4141.5167.1-13.929.9000110.4L56L56-P58 WeakPolarHBondContact O-CD 3.38Å
59V40.7Very low43.4Very low122 Ų12294 Ų9474%0.73953%0.532SS*.PPolyproline II helixtrans-96.8119.2170.5-178.20000108.6
60D37.5Very low41.7Very low131 Ų131101.2 Ų101.270%0.70157%0.571SS**PPolyproline II helixtrans-68.5130.8180-69.6-49.9000112T62D60-T62 HydrophobicContact CB-CG2 4.41Å
61N33.4Very low40.1Very low153 Ų153104.4 Ų104.482%0.81859%0.594SS**  trans-106.885-176.8-17531.1000111
62T34Very low38.6Very low116 Ų116109.5 Ų109.571%0.71263%0.63SS**  trans-110.560.4-166.546.50000114.7D60D60-T62 HydrophobicContact CB-CG2 4.41Å
63H34Very low37.1Very low180 Ų180116 Ų11683%0.83366%0.657SS**SBendtrans-130.9134.7160.9-69.4-65.1000111.7
64S33.6Very low35.4Very low105 Ų105116.3 Ų116.373%0.73468%0.676SS**SBendtrans68.774.7175.3-173.90000117.5H66S64-H66 PolarHBondContact O-N 3.48Å
65S29.5Very low34.1Very low121 Ų121122 Ų12285%0.84669%0.692SS**  trans-39.6116.7168-43.20000116.7
66H27.2Very low33Very low159 Ų159125 Ų12574%0.73672%0.723SS**  trans-166.3161.9137.839.8-79.1000112.2S64S64-H66 PolarHBondContact O-N 3.48Å
67C25.7Very low32Very low89 Ų89125.3 Ų125.360%0.60174%0.742SS**  trans45.970.5172.760.40000118.8S69C67-S69 PolarHBondContact O-N 2.77Å; C67-S69 VanDerWaalsContact O-N 3.16Å
68L26.1Very low31.5Very low189 Ų189129.3 Ų129.399%0.9976%0.763SS**  trans-80.770150.7-79.8175.2000110.2
69S28.9Very low31.2Very low84 Ų84134.3 Ų134.359%0.58778%0.78SS**SBendtrans-159.9109.5179.856.20000111.1C67C67-S69 PolarHBondContact O-N 2.77Å; C67-S69 VanDerWaalsContact O-N 3.16Å
70N25.8Very low31.1Very low163 Ų163136.4 Ų136.487%0.87279%0.787SS**  trans33.394.7171.4-68.218000118
71T32.5Very low30.7Very low115 Ų115138.4 Ų138.471%0.70679%0.792SS**  trans-113.183.2160.142.90000111.3F73T71-F73 PolarHBondContact O-N 3.47Å
72S30Very low30.8Very low113 Ų113137.8 Ų137.879%0.7979%0.793SS**  trans-61.2119.1164.5-62.10000109.6G74S72-G74 PolarHBondContact O-N 3.22Å
73F28.2Very low30.5Very low191 Ų191137.8 Ų137.884%0.83880%0.798SS**  trans-73.978.2164-83.4-82.4000109.5T71 F75T71-F73 PolarHBondContact O-N 3.47Å; F73-F75 PolarHBondContact O-N 2.82Å; F73-F75 VanDerWaalsContact O-N 3.13Å
74G26.4Very low30.5Very low65 Ų65134.1 Ų134.167%0.6779%0.792SS**  trans-7199.7174.100000111S72 A76S72-G74 PolarHBondContact O-N 3.22Å; G74-A76 PolarHBondContact O-N 2.93Å
75F29.8Very low30.2Very low203 Ų203132.8 Ų132.889%0.8980%0.796SS**  trans-69.5117152.9-74.9-88.8000107.4F73F73-F75 PolarHBondContact O-N 2.82Å; F73-F75 VanDerWaalsContact O-N 3.13Å
76A34.4Very low30.7Very low101 Ų101135.5 Ų135.584%0.83579%0.788SS**  trans-105.7126.1-17900000110.1G74G74-A76 PolarHBondContact O-N 2.93Å
77G31.4Very low31.2Very low73 Ų73135.1 Ų135.175%0.75379%0.792SS**  trans83.2132.1-171.700000112.1
78D34Very low31.9Very low166 Ų166136 Ų13689%0.88879%0.794SS**  cis-148.4173.91.1-148.6-10.1000111.9
79E31.5Very low32.4Very low182 Ų182134.1 Ų134.185%0.8579%0.785SS**  trans-64.7127.3-163.9-172.8176.4101.800116.7
80L38.7Very low33.1Very low166 Ų166135 Ų13587%0.86979%0.792SS**  trans-160.5127.5147.4-170.760.5000112.4
81E29.1Very low33.8Very low173 Ų173132.8 Ų132.881%0.80878%0.779SS**  trans-79.8131.1177.2-62.7-173.7103.400114
82V36.5Very low34Very low140 Ų140129.5 Ų129.585%0.84877%0.768SS**  trans-144.2122.9142.9-179.20000109.3
83S28.2Very low34.6Very low116 Ų116132.4 Ų132.481%0.81177%0.773SS**  trans-82.2121.1178.9-78.80000113.5
84S33.6Very low34.9Very low102 Ų102125.8 Ų125.871%0.71376%0.759SS**  trans-167.4119.2143.2-168.10000110.4Y86S84-Y86 WeakPolarHBondContact O-CD1 3.29Å
85G27.1Very low35.8Very low78 Ų78126.2 Ų126.280%0.80475%0.745SS**  trans-77135.1-172.100000114.5
86Y38.9Very low36.2Very low178 Ų178123.8 Ų123.870%0.69874%0.735SS**  trans-148.5108.1166.250.8-89.5000111.3S84 V88S84-Y86 WeakPolarHBondContact O-CD1 3.29Å; Y86-V88 HydrophobicContact CD2-CG1 4.05Å; Y86-V88 HydrophobicContact CE2-CG1 4.3Å; Y86-V88 PolarHBondContact O-N 3.19Å
87D38.3Very low36.2Very low150 Ų150123 Ų12380%0.80272%0.723SS**  trans-70.4100.7-178.1-61.6-77.3000112.3N89D87-N89 PolarHBondContact O-N 3.18Å
88V40.3Very low36.4Very low107 Ų107126.3 Ų126.365%0.64873%0.731SS**G310 helixtrans-74.2-6.1179.8-87.50000114.6Y86 S90Y86-V88 HydrophobicContact CD2-CG1 4.05Å; Y86-V88 HydrophobicContact CE2-CG1 4.3Å; Y86-V88 PolarHBondContact O-N 3.19Å; V88-S90 PolarHBondContact O-N 3.03Å
89N37.5Very low36.3Very low151 Ų151120.8 Ų120.881%0.80771%0.713SS**G310 helixtrans-75.20.1-177.9-66-8.7000114.6D87D87-N89 PolarHBondContact O-N 3.18Å
90S43.2Very low36.5Very low103 Ų103116.1 Ų116.172%0.7271%0.714SS**G310 helixtrans-100.65.3-170.8-161.90000115.2V88V88-S90 PolarHBondContact O-N 3.03Å
91L40.5Very low36.7Very low115 Ų115114.6 Ų114.660%0.60270%0.702SS**SBendtrans-128.516.2-173.7-68.9174.3000115R313L91-R313 VanDerWaalsContact CD1-NH1 3.33Å
92G36.5Very low37.2Very low47 Ų47109.8 Ų109.849%0.48569%0.688SS.*SBendtrans-147.4160.1166.600000109.5G94G92-G94 PolarHBondContact O-N 3.36Å
93I42Very low37.3Very low174 Ų174105.5 Ų105.589%0.89266%0.664SS**SBendtrans68.9-23.5-180-51.7175.3000115.2L95I93-L95 PolarHBondContact O-N 3.3Å
94G34.6Very low38.1Very low52 Ų52106.6 Ų106.654%0.53666%0.66SS.*G310 helixtrans-68.70.4-179.300000117.8G92G92-G94 PolarHBondContact O-N 3.36Å
95L44.8Very low38.7Very low74 Ų74107.5 Ų107.539%0.38765%0.653SS.*G310 helixtrans-79.5-19.8-164.7-138143.9000114.5I93I93-L95 PolarHBondContact O-N 3.3Å
96F38.8Very low39.7Very low152 Ų152107.1 Ų107.167%0.66763%0.632SS**G310 helixtrans-117.120.5-179.4-67.1-69.4000114.4P98F96-P98 WeakPolarHBondContact O-CD 3.38Å
97S34.7Very low40.3Very low84 Ų84100.2 Ų100.259%0.58761%0.61SS**  trans-62.9124.5171.6-68.30000110.5G99S97-G99 PolarHBondContact O-N 3.45Å
98P34.8Very low41.9Very low143 Ų14395.5 Ų95.593%0.92959%0.585SS**SBendtrans-74.474.3-17930.8-35.3000110.8F96F96-P98 WeakPolarHBondContact O-CD 3.38Å
99G33.8Very low43.4Very low50 Ų5095.2 Ų95.252%0.51558%0.576SS.*SBendtrans-157.819.1-163.700000116.6S97 Q101S97-G99 PolarHBondContact O-N 3.45Å; G99-Q101 VanDerWaalsContact C-N 3.3Å; G99-Q101 PolarHBondContact O-N 2.9Å
100G35.1Very low45.2Very low83 Ų8388.8 Ų88.886%0.85654%0.542SS*.SBendtrans59.114.5153.300000120.1
101Q41.9Very low47.1Very low135 Ų13584.1 Ų84.163%0.63151%0.509SS*.  trans-126.2-5.3-174.1-66.6-176.139.300115.3G99 H105G99-Q101 VanDerWaalsContact C-N 3.3Å; G99-Q101 PolarHBondContact O-N 2.9Å; Q101-H105 PolarHBondContact O-ND1 3.48Å
102S40Very low49.2Very low72 Ų7279.9 Ų79.950%0.50349%0.486SS..Hα-helixtrans-67.1-41.6-171.840.80000114.2L104 H105 L106S102-L104 PolarHBondContact O-N 3.4Å; S102-H105 WeakPolarHBondContact O-CB 3.35Å; S102-H105 PolarHBondContact O-N 2.83Å; S102-H105 VanDerWaalsContact O-N 3.11Å; S102-L106 PolarHBondContact O-N 2.95Å
103S39.9Very low51.4Low50 Ų5079.5 Ų79.535%0.3548%0.476SS..Hα-helixtrans-56.9-48.4-175.8-167.60000113.5E41 H105 L106 S107E41-S103 WeakPolarHBondContact OE1-CB 3.2Å; E41-S103 PolarHBondContact OE1-OG 2.97Å; S103-H105 PolarHBondContact O-N 3.2Å; S103-L106 PolarHBondContact O-N 2.85Å; S103-L106 VanDerWaalsContact O-N 3.1Å; S103-S107 PolarHBondContact O-N 3.44Å
104L43.3Very low53.4Low139 Ų13973.7 Ų73.773%0.72845%0.445SS*.Hα-helixtrans-60.7-28.2178.4-63.1177.7000113.4S102 N108S102-L104 PolarHBondContact O-N 3.4Å; L104-N108 VanDerWaalsContact O-CB 3.23Å; L104-N108 WeakPolarHBondContact O-CB 3.45Å; L104-N108 PolarHBondContact O-N 3.35Å
105H47.4Very low56Low121 Ų12171.2 Ų71.256%0.5642%0.42SS*.Hα-helixtrans-77.1-31.8178.4-72.191.3000112.4Q101 S102 S103 Q109Q101-H105 PolarHBondContact O-ND1 3.48Å; S102-H105 WeakPolarHBondContact O-CB 3.35Å; S102-H105 PolarHBondContact O-N 2.83Å; S102-H105 VanDerWaalsContact O-N 3.11Å; S103-H105 PolarHBondContact O-N 3.2Å; H105-Q109 WeakPolarHBondContact O-CG 3.5Å; H105-Q109 PolarHBondContact O-N 3.16Å
106L47.4Very low58.1Low69 Ų6972.4 Ų72.436%0.36142%0.42SS..Hα-helixtrans-73.8-48.1-177.8-142.575.6000111.7S102 S103 N108 Q109 V110S102-L106 PolarHBondContact O-N 2.95Å; S103-L106 PolarHBondContact O-N 2.85Å; S103-L106 VanDerWaalsContact O-N 3.1Å; L106-N108 VanDerWaalsContact C-N 3.31Å; L106-N108 PolarHBondContact O-N 2.92Å; L106-Q109 WeakPolarHBondContact O-CB 3.27Å; L106-Q109 PolarHBondContact O-N 3.48Å; L106-Q109 VanDerWaalsContact O-N 3.11Å; L106-V110 PolarHBondContact O-N 3.28Å; L106-V110 VanDerWaalsContact O-N 3.14Å
107S52.6Low60.4Low34 Ų3467.5 Ų67.524%0.23840%0.402CS..Hα-helixtrans-64.1-37.9177.5-160.80000111.7E49 S103 Q109 V110 E111E49-S107 WeakPolarHBondContact OE1-CA 3.47Å; E49-S107 VanDerWaalsContact OE1-CB 3.24Å; E49-S107 WeakPolarHBondContact OE1-CB 3.33Å; E49-S107 PolarHBondContact OE1-OG 3.49Å; S103-S107 PolarHBondContact O-N 3.44Å; S107-Q109 VanDerWaalsContact C-N 3.34Å; S107-Q109 PolarHBondContact O-N 3.36Å; S107-V110 PolarHBondContact O-N 3.25Å; S107-V110 VanDerWaalsContact O-N 3.16Å; S107-E111 WeakPolarHBondContact O-CG 3.3Å; S107-E111 PolarHBondContact O-N 2.85Å
108N70.6Confident63.1Low51 Ų5163.8 Ų63.827%0.27338%0.375SS..Hα-helixtrans-66.3-31.6174.4-161.8-27.2000112.4L104 L106 Q112L104-N108 VanDerWaalsContact O-CB 3.23Å; L104-N108 WeakPolarHBondContact O-CB 3.45Å; L104-N108 PolarHBondContact O-N 3.35Å; L106-N108 VanDerWaalsContact C-N 3.31Å; L106-N108 PolarHBondContact O-N 2.92Å; N108-Q112 VanDerWaalsContact O-CB 3.28Å; N108-Q112 WeakPolarHBondContact O-CB 3.48Å; N108-Q112 WeakPolarHBondContact O-CG 3.41Å; N108-Q112 PolarHBondContact O-N 2.84Å; N108-Q112 PolarHBondContact O-NE2 3.09Å; N108-Q112 PolarHBondContact OD1-NE2 3.23Å
109Q71.5Confident65.8Low100 Ų10057 Ų5747%0.46733%0.331SS..Hα-helixtrans-66.4-37.5171-72.6-104.654.200112.5H105 L106 S107 Q112 S113H105-Q109 WeakPolarHBondContact O-CG 3.5Å; H105-Q109 PolarHBondContact O-N 3.16Å; L106-Q109 WeakPolarHBondContact O-CB 3.27Å; L106-Q109 PolarHBondContact O-N 3.48Å; L106-Q109 VanDerWaalsContact O-N 3.11Å; S107-Q109 VanDerWaalsContact C-N 3.34Å; S107-Q109 PolarHBondContact O-N 3.36Å; Q109-Q112 PolarHBondContact O-N 3.33Å; Q109-S113 PolarHBondContact O-N 2.86Å
110V75.9Confident68.3Low17 Ų1757.9 Ų57.910%0.10332%0.323CS..Hα-helixtrans-68.2-44.8175.5174.70000111E49 L52 L106 S107 Q112 S113 Q114E49-V110 HydrophobicContact CG-CG2 4.32Å; L52-V110 HydrophobicContact CD2-CG2 4.31Å; L106-V110 PolarHBondContact O-N 3.28Å; L106-V110 VanDerWaalsContact O-N 3.14Å; S107-V110 PolarHBondContact O-N 3.25Å; S107-V110 VanDerWaalsContact O-N 3.16Å; V110-Q112 VanDerWaalsContact C-N 3.29Å; V110-Q112 PolarHBondContact O-N 3.5Å; V110-S113 PolarHBondContact O-N 3.38Å; V110-S113 PolarHBondContact O-OG 2.87Å; V110-Q114 WeakPolarHBondContact O-CB 3.38Å; V110-Q114 VanDerWaalsContact O-CG 3.24Å; V110-Q114 WeakPolarHBondContact O-CG 3.47Å; V110-Q114 PolarHBondContact O-N 3.41Å
111E82.7Confident70.6Confident5 Ų556.4 Ų56.42%0.02330%0.299CS..Hα-helixtrans-63.2-36174.7-67.3173.6178.100111.7S107 A115 K150 L152S107-E111 WeakPolarHBondContact O-CG 3.3Å; S107-E111 PolarHBondContact O-N 2.85Å; E111-A115 WeakPolarHBondContact O-CB 3.18Å; E111-A115 PolarHBondContact O-N 2.83Å; E111-K150 WeakPolarHBondContact OE1-CB 3.24Å; E111-K150 VanDerWaalsContact OE1-CD 3.28Å; E111-K150 WeakPolarHBondContact OE1-CD 3.46Å; E111-K150 VanDerWaalsContact OE1-CG 3.32Å; E111-K150 WeakPolarHBondContact OE1-CG 3.38Å; E111-K150 IonicContact OE1-NZ 2.66Å; E111-K150 PolarHBondContact OE1-NZ 2.82Å; E111-K150 IonicContact OE2-NZ 2.8Å; E111-K150 PolarHBondContact OE2-NZ 2.84Å; E111-L152 HydrophobicContact CB-CD2 3.55Å; E111-L152 HydrophobicContact CB-CG 4.17Å
112Q84.4Confident72.7Confident26 Ų2652.7 Ų52.712%0.12128%0.282CS..Hα-helixtrans-67.1-38.5172.8-75.7175.253.900113.7N108 Q109 V110 Y116 L152 V160N108-Q112 VanDerWaalsContact O-CB 3.28Å; N108-Q112 WeakPolarHBondContact O-CB 3.48Å; N108-Q112 WeakPolarHBondContact O-CG 3.41Å; N108-Q112 PolarHBondContact O-N 2.84Å; N108-Q112 PolarHBondContact O-NE2 3.09Å; N108-Q112 PolarHBondContact OD1-NE2 3.23Å; Q109-Q112 PolarHBondContact O-N 3.33Å; V110-Q112 VanDerWaalsContact C-N 3.29Å; V110-Q112 PolarHBondContact O-N 3.5Å; Q112-Y116 VanDerWaalsContact O-CB 3.32Å; Q112-Y116 WeakPolarHBondContact O-CB 3.35Å; Q112-Y116 PolarHBondContact O-N 3.22Å; Q112-L152 HydrophobicContact CG-CD1 4.18Å; Q112-L152 HydrophobicContact CG-CD2 4.2Å; Q112-V160 HydrophobicContact CB-CG2 3.87Å; Q112-V160 HydrophobicContact CG-CG2 3.66Å
113S83.6Confident75.1Confident38 Ų3849.5 Ų49.527%0.26626%0.259SS..Hα-helixtrans-72.6-35.117870.80000112.2Q109 V110 Y116 T117Q109-S113 PolarHBondContact O-N 2.86Å; V110-S113 PolarHBondContact O-N 3.38Å; V110-S113 PolarHBondContact O-OG 2.87Å; S113-Y116 PolarHBondContact O-N 2.84Å; S113-T117 WeakPolarHBondContact O-CB 3.4Å; S113-T117 PolarHBondContact O-N 3.21Å; S113-T117 PolarHBondContact O-OG1 2.93Å
114Q84.1Confident77.3Confident53 Ų5350.1 Ų50.125%0.24826%0.257CS..Hα-helixtrans-63.5-50.1172.1-71.9168.2-4.100111.1V110 Y116 T117 W118 M149V110-Q114 WeakPolarHBondContact O-CB 3.38Å; V110-Q114 VanDerWaalsContact O-CG 3.24Å; V110-Q114 WeakPolarHBondContact O-CG 3.47Å; V110-Q114 PolarHBondContact O-N 3.41Å; Q114-Y116 VanDerWaalsContact C-N 3.33Å; Q114-Y116 PolarHBondContact O-N 3.39Å; Q114-T117 PolarHBondContact O-N 3.46Å; Q114-W118 PolarHBondContact O-N 3.18Å; Q114-M149 HydrophobicContact CB-CE 3.63Å; Q114-M149 HydrophobicContact CG-CE 3.58Å
115A88.7Confident79.3Confident0 Ų047.7 Ų47.70%024%0.241CC..Hα-helixtrans-61.6-38.8175.300000112.7E111 T117 W118 I119 Y140 L152 V160E111-A115 WeakPolarHBondContact O-CB 3.18Å; E111-A115 PolarHBondContact O-N 2.83Å; A115-T117 VanDerWaalsContact C-N 3.34Å; A115-T117 PolarHBondContact O-N 3.42Å; A115-W118 PolarHBondContact O-N 2.95Å; A115-I119 WeakPolarHBondContact O-CB 3.29Å; A115-I119 WeakPolarHBondContact O-CD1 3.01Å; A115-I119 WeakPolarHBondContact O-CG1 3.31Å; A115-I119 PolarHBondContact O-N 3.08Å; A115-Y140 HydrophobicContact CB-CE2 3.82Å; A115-L152 HydrophobicContact CB-CD1 3.39Å; A115-L152 HydrophobicContact CB-CG 4.31Å; A115-V160 HydrophobicContact CB-CG1 4.36Å
116Y89.2Confident81.1Confident98 Ų9842.9 Ų42.938%0.38422%0.22SC..Hα-helixtrans-60.6-45.2175.4-173.4-84.8000111.2Q112 S113 Q114 W118 I119 M120 V160 R163 A164Q112-Y116 VanDerWaalsContact O-CB 3.32Å; Q112-Y116 WeakPolarHBondContact O-CB 3.35Å; Q112-Y116 PolarHBondContact O-N 3.22Å; S113-Y116 PolarHBondContact O-N 2.84Å; Q114-Y116 VanDerWaalsContact C-N 3.33Å; Q114-Y116 PolarHBondContact O-N 3.39Å; Y116-W118 VanDerWaalsContact C-N 3.34Å; Y116-W118 PolarHBondContact O-N 2.9Å; Y116-I119 PolarHBondContact O-N 2.96Å; Y116-M120 HydrophobicContact CD1-CG 3.82Å; Y116-M120 HydrophobicContact CE1-CG 3.52Å; Y116-M120 HydrophobicContact CE1-SD 3.85Å; Y116-M120 HydrophobicContact CG-CG 4.48Å; Y116-M120 WeakPolarHBondContact O-CB 3.45Å; Y116-M120 WeakPolarHBondContact O-CG 3.46Å; Y116-M120 PolarHBondContact O-N 2.77Å; Y116-V160 HydrophobicContact CD2-CG1 4.01Å; Y116-V160 HydrophobicContact CG-CG1 4.33Å; Y116-R163 HydrophobicContact CE2-CB 4.47Å; Y116-A164 HydrophobicContact CD2-CB 3.92Å; Y116-A164 HydrophobicContact CE2-CB 3.69Å
117T87.7Confident82.8Confident50 Ų5045 Ų4531%0.30724%0.238SC..Hα-helixtrans-64.6-38.6178.2-57.60000111.7S113 Q114 A115 S121 R308S113-T117 WeakPolarHBondContact O-CB 3.4Å; S113-T117 PolarHBondContact O-N 3.21Å; S113-T117 PolarHBondContact O-OG1 2.93Å; Q114-T117 PolarHBondContact O-N 3.46Å; A115-T117 VanDerWaalsContact C-N 3.34Å; A115-T117 PolarHBondContact O-N 3.42Å; T117-S121 WeakPolarHBondContact O-CB 3.44Å; T117-S121 PolarHBondContact O-N 3.4Å; T117-S121 PolarHBondContact O-OG 3.04Å; T117-R308 HydrophobicContact CG2-CB 3.93Å; T117-R308 HydrophobicContact CG2-CG 4.01Å
118W89.8Confident84.1Confident5 Ų548 Ų482%0.01926%0.259CS..Hα-helixtrans-63-51.1172.4-175.584.9000112.1Q114 A115 Y116 M120 S121 H122 L123 V136 D139 Y140 Y143 F157Q114-W118 PolarHBondContact O-N 3.18Å; A115-W118 PolarHBondContact O-N 2.95Å; Y116-W118 VanDerWaalsContact C-N 3.34Å; Y116-W118 PolarHBondContact O-N 2.9Å; W118-M120 VanDerWaalsContact C-N 3.3Å; W118-M120 PolarHBondContact O-N 2.93Å; W118-S121 WeakPolarHBondContact CA-OG 3.22Å; W118-S121 PolarHBondContact O-N 2.81Å; W118-S121 VanDerWaalsContact O-N 3.11Å; W118-S121 PolarHBondContact O-OG 2.84Å; W118-H122 AromaticContact CD1-CE1 3.38Å; W118-H122 AromaticContact CD1-CG 3.97Å; W118-H122 AromaticContact CD1-ND1 3.44Å; W118-H122 AromaticContact CD1-NE2 3.86Å; W118-H122 HydrophobicContact CD2-CB 4.38Å; W118-H122 AromaticContact CE2-CD2 3.86Å; W118-H122 AromaticContact CE2-CG 3.65Å; W118-H122 AromaticContact CE2-ND1 3.93Å; W118-H122 AromaticContact CG-ND1 3.92Å; W118-H122 HydrophobicContact CH2-CB 4.37Å; W118-H122 HydrophobicContact CZ2-CB 3.97Å; W118-H122 AromaticContact NE1-CD2 3.45Å; W118-H122 PolarHBondContact NE1-CD2 3.08Å; W118-H122 AromaticContact NE1-CE1 3.38Å; W118-H122 PolarHBondContact NE1-CE1 3.48Å; W118-H122 AromaticContact NE1-CG 3.5Å; W118-H122 AromaticContact NE1-ND1 3.45Å; W118-H122 PolarHBondContact NE1-ND1 3.24Å; W118-H122 AromaticContact NE1-NE2 3.38Å; W118-H122 PolarHBondContact NE1-NE2 3.28Å; W118-H122 WeakPolarHBondContact O-CB 3.31Å; W118-H122 PolarHBondContact O-N 3.44Å; W118-H122 PolarHBondContact O-ND1 3.31Å; W118-H122 VanDerWaalsContact O-ND1 3.16Å; W118-L123 HydrophobicContact CZ3-CD1 4.3Å; W118-V136 WeakPolarHBondContact CH2-O 3.1Å; W118-V136 HydrophobicContact CZ3-CG1 4.32Å; W118-D139 HydrophobicContact CH2-CB 3.82Å; W118-D139 HydrophobicContact CZ2-CB 3.83Å; W118-Y140 HydrophobicContact CB-CD2 4.42Å; W118-Y140 AromaticContact CD2-CD2 3.93Å; W118-Y140 HydrophobicContact CD2-CD2 3.93Å; W118-Y140 AromaticContact CE3-CD2 3.95Å; W118-Y140 HydrophobicContact CE3-CD2 3.95Å; W118-Y140 HydrophobicContact CE3-CG 4.32Å; W118-Y140 HydrophobicContact CG-CD2 4.11Å; W118-Y143 HydrophobicContact CB-CE1 4.43Å; W118-Y143 AromaticContact CD1-CD1 3.3Å; W118-Y143 AromaticContact CD1-CD2 3.54Å; W118-Y143 AromaticContact CD1-CE1 3.66Å; W118-Y143 AromaticContact CD1-CE2 3.88Å; W118-Y143 AromaticContact CD1-CG 3.24Å; W118-Y143 AromaticContact CD1-CZ 3.95Å; W118-Y143 HydrophobicContact CG-CD1 4.04Å; W118-Y143 HydrophobicContact CG-CE1 4.33Å; W118-Y143 HydrophobicContact CG-CG 4.3Å; W118-Y143 AromaticContact NE1-CD1 3.87Å; W118-Y143 AromaticContact NE1-CD2 3.66Å; W118-Y143 AromaticContact NE1-CG 3.36Å; W118-F157 HydrophobicContact CE3-CE2 4.27Å; W118-F157 HydrophobicContact CE3-CZ 4.49Å; W118-F157 HydrophobicContact CZ3-CE2 4.27Å; W118-F157 HydrophobicContact CZ3-CZ 4.07Å
119I91.5Very high84.9Confident0 Ų047.8 Ų47.80%026%0.259CS..Hα-helixtrans-55.7-44.6179.3-73.3165.9000111.1A115 Y116 S121 L123 F157 V160 M161 A164 F165A115-I119 WeakPolarHBondContact O-CB 3.29Å; A115-I119 WeakPolarHBondContact O-CD1 3.01Å; A115-I119 WeakPolarHBondContact O-CG1 3.31Å; A115-I119 PolarHBondContact O-N 3.08Å; Y116-I119 PolarHBondContact O-N 2.96Å; I119-S121 VanDerWaalsContact C-N 3.33Å; I119-S121 PolarHBondContact O-N 2.85Å; I119-L123 HydrophobicContact CG2-CD1 4.33Å; I119-L123 WeakPolarHBondContact O-CB 3.44Å; I119-L123 PolarHBondContact O-N 3.48Å; I119-F157 HydrophobicContact CD1-CD2 4.26Å; I119-F157 HydrophobicContact CD1-CE2 3.79Å; I119-F157 HydrophobicContact CD1-CZ 4.08Å; I119-F157 HydrophobicContact CG1-CE2 3.94Å; I119-F157 HydrophobicContact CG1-CZ 4.09Å; I119-V160 HydrophobicContact CD1-CB 4.22Å; I119-V160 HydrophobicContact CD1-CG1 3.87Å; I119-M161 HydrophobicContact CD1-CB 4.33Å; I119-M161 HydrophobicContact CD1-SD 4.05Å; I119-M161 HydrophobicContact CG1-SD 4.17Å; I119-M161 HydrophobicContact CG2-SD 3.84Å; I119-A164 HydrophobicContact CB-CB 4.46Å; I119-A164 HydrophobicContact CG2-CB 3.53Å; I119-F165 HydrophobicContact CG2-CD2 3.78Å; I119-F165 HydrophobicContact CG2-CE2 3.57Å
120M87.1Confident85.7Confident69 Ų6945.6 Ų45.634%0.3426%0.255SS..Hα-helixtrans-76.4-15.8-178.6-61-92.770.600114.4Y116 W118 A164 F165Y116-M120 HydrophobicContact CD1-CG 3.82Å; Y116-M120 HydrophobicContact CE1-CG 3.52Å; Y116-M120 HydrophobicContact CE1-SD 3.85Å; Y116-M120 HydrophobicContact CG-CG 4.48Å; Y116-M120 WeakPolarHBondContact O-CB 3.45Å; Y116-M120 WeakPolarHBondContact O-CG 3.46Å; Y116-M120 PolarHBondContact O-N 2.77Å; W118-M120 VanDerWaalsContact C-N 3.3Å; W118-M120 PolarHBondContact O-N 2.93Å; M120-A164 HydrophobicContact CE-CB 3.96Å; M120-A164 HydrophobicContact CG-CB 4.32Å; M120-A164 HydrophobicContact SD-CB 4.12Å; M120-F165 HydrophobicContact CE-CD1 4.19Å; M120-F165 HydrophobicContact CE-CD2 4.02Å; M120-F165 HydrophobicContact CE-CE1 3.67Å; M120-F165 HydrophobicContact CE-CE2 3.48Å; M120-F165 VanDerWaalsContact CE-CE2 3.48Å; M120-F165 HydrophobicContact CE-CG 4.35Å; M120-F165 HydrophobicContact CE-CZ 3.29Å
121S84.3Confident86.4Confident52 Ų5246.2 Ų46.236%0.36426%0.257SS..Hα-helixtrans-97-31.2178490000113T117 W118 I119 K189T117-S121 WeakPolarHBondContact O-CB 3.44Å; T117-S121 PolarHBondContact O-N 3.4Å; T117-S121 PolarHBondContact O-OG 3.04Å; W118-S121 WeakPolarHBondContact CA-OG 3.22Å; W118-S121 PolarHBondContact O-N 2.81Å; W118-S121 VanDerWaalsContact O-N 3.11Å; W118-S121 PolarHBondContact O-OG 2.84Å; I119-S121 VanDerWaalsContact C-N 3.33Å; I119-S121 PolarHBondContact O-N 2.85Å; S121-K189 WeakPolarHBondContact O-CD 3.48Å
122H84.7Confident86.8Confident57 Ų5750.1 Ų50.126%0.26427%0.272SS..Hα-helixtrans-102.4-15-173.2-67.867.9000114.5W118 K188 K189W118-H122 AromaticContact CD1-CE1 3.38Å; W118-H122 AromaticContact CD1-CG 3.97Å; W118-H122 AromaticContact CD1-ND1 3.44Å; W118-H122 AromaticContact CD1-NE2 3.86Å; W118-H122 HydrophobicContact CD2-CB 4.38Å; W118-H122 AromaticContact CE2-CD2 3.86Å; W118-H122 AromaticContact CE2-CG 3.65Å; W118-H122 AromaticContact CE2-ND1 3.93Å; W118-H122 AromaticContact CG-ND1 3.92Å; W118-H122 HydrophobicContact CH2-CB 4.37Å; W118-H122 HydrophobicContact CZ2-CB 3.97Å; W118-H122 AromaticContact NE1-CD2 3.45Å; W118-H122 PolarHBondContact NE1-CD2 3.08Å; W118-H122 AromaticContact NE1-CE1 3.38Å; W118-H122 PolarHBondContact NE1-CE1 3.48Å; W118-H122 AromaticContact NE1-CG 3.5Å; W118-H122 AromaticContact NE1-ND1 3.45Å; W118-H122 PolarHBondContact NE1-ND1 3.24Å; W118-H122 AromaticContact NE1-NE2 3.38Å; W118-H122 PolarHBondContact NE1-NE2 3.28Å; W118-H122 WeakPolarHBondContact O-CB 3.31Å; W118-H122 PolarHBondContact O-N 3.44Å; W118-H122 PolarHBondContact O-ND1 3.31Å; W118-H122 VanDerWaalsContact O-ND1 3.16Å; H122-K188 WeakPolarHBondContact O-CG 3.12Å; H122-K189 PolarHBondContact O-N 3.22Å
123L90.3Very high87.2Confident5 Ų552 Ų523%0.02628%0.279CS..EExtended strand (participates in β ladder)trans-125.4158-175.6-50.6176.4000111.4W118 I119 L131 V136 M161 F165 M186 K188W118-L123 HydrophobicContact CZ3-CD1 4.3Å; I119-L123 HydrophobicContact CG2-CD1 4.33Å; I119-L123 WeakPolarHBondContact O-CB 3.44Å; I119-L123 PolarHBondContact O-N 3.48Å; L123-L131 HydrophobicContact CD2-CD1 3.71Å; L123-V136 HydrophobicContact CD1-CG1 3.75Å; L123-V136 HydrophobicContact CD2-CG1 4.49Å; L123-V136 HydrophobicContact CD2-CG2 4.35Å; L123-M161 HydrophobicContact CD1-CE 3.77Å; L123-M161 HydrophobicContact CD1-SD 4.08Å; L123-F165 HydrophobicContact CB-CE2 4.03Å; L123-F165 HydrophobicContact CB-CZ 4.29Å; L123-M186 HydrophobicContact CB-CE 3.78Å; L123-M186 HydrophobicContact CD1-CE 4.29Å; L123-K188 HydrophobicContact CD2-CG 4.45Å
124E86.9Confident87.6Confident64 Ų6452.6 Ų52.630%0.29928%0.28SS..EExtended strand (participates in β ladder)trans-144146.9-175.4-167.2-177.1177.900110.4M186 R187 K189E124-M186 WeakPolarHBondContact O-CA 3.43Å; E124-R187 HydrophobicContact CB-CG 4.03Å; E124-R187 VanDerWaalsContact CD-NE 3.35Å; E124-R187 PolarHBondContact N-O 2.92Å; E124-R187 PolarHBondContact O-N 3.21Å; E124-R187 IonicContact OE1-CZ 2.78Å; E124-R187 IonicContact OE1-NE 2.7Å; E124-R187 IonicContact OE1-NH2 2.74Å; E124-R187 PolarHBondContact OE1-NH2 3Å; E124-R187 IonicContact OE2-CZ 3.19Å; E124-R187 VanDerWaalsContact OE2-CZ 3.32Å; E124-R187 IonicContact OE2-NE 2.68Å; E124-R187 PolarHBondContact OE2-NE 3.5Å; E124-R187 IonicContact OE2-NH2 2.69Å; E124-R187 PolarHBondContact OE2-NH2 3.23Å; E124-K189 HydrophobicContact CB-CB 4.46Å
125E85.6Confident88Confident87 Ų8754.3 Ų54.341%0.40729%0.288SS..EExtended strand (participates in β ladder)trans-81.6120.3174.9-168175161.500109.9F165 N167 G185E125-F165 HydrophobicContact CB-CD1 4.26Å; E125-F165 HydrophobicContact CB-CE1 4.24Å; E125-N167 WeakPolarHBondContact OE1-CB 3.24Å; E125-N167 PolarHBondContact OE1-ND2 3.49Å; E125-N167 VanDerWaalsContact OE1-ND2 3.08Å; E125-N167 PolarHBondContact OE2-ND2 2.85Å; E125-G185 WeakPolarHBondContact CA-O 3.38Å; E125-G185 WeakPolarHBondContact CG-O 3.29Å
126D84.1Confident88.2Confident21 Ų2154.5 Ų54.511%0.11229%0.289CS..EExtended strand (participates in β ladder)trans-143.7110.5177.8176-23.9000108.7S128 T129 G185 M186 R187D126-S128 PolarHBondContact O-N 2.99Å; D126-S128 VanDerWaalsContact O-N 3.1Å; D126-S128 WeakPolarHBondContact OD1-CB 3.12Å; D126-S128 PolarHBondContact OD1-N 3.2Å; D126-S128 PolarHBondContact OD1-OG 3.06Å; D126-T129 WeakPolarHBondContact CB-OG1 3.45Å; D126-T129 PolarHBondContact O-N 2.76Å; D126-T129 PolarHBondContact O-OG1 3.2Å; D126-T129 VanDerWaalsContact O-OG1 3.09Å; D126-G185 PolarHBondContact N-O 2.95Å; D126-G185 CarbonylContact O-C 3.59Å; D126-G185 WeakPolarHBondContact O-CA 3.48Å; D126-M186 PolarHBondContact O-N 3.4Å; D126-M186 VanDerWaalsContact O-N 3.14Å; D126-R187 HydrophobicContact CB-CB 4.32Å; D126-R187 HydrophobicContact CB-CG 3.86Å; D126-R187 WeakPolarHBondContact OD2-CD 3.06Å; D126-R187 IonicContact OD2-CZ 2.66Å; D126-R187 IonicContact OD2-NE 3.45Å; D126-R187 IonicContact OD2-NH1 3.24Å; D126-R187 PolarHBondContact OD2-NH1 3.39Å
127P82.6Confident88.4Confident113 Ų11351.1 Ų51.173%0.73428%0.275SS*.EExtended strand (participates in β ladder)trans-61.8-24.2-171.725.5-34.8000113.9T129P127-T129 VanDerWaalsContact C-N 3.34Å
128S81.8Confident88.7Confident98 Ų9852.1 Ų52.169%0.68528%0.279SS*.EExtended strand (participates in β ladder)trans-75.9-20.8-176.372.40000113.6D126D126-S128 PolarHBondContact O-N 2.99Å; D126-S128 VanDerWaalsContact O-N 3.1Å; D126-S128 WeakPolarHBondContact OD1-CB 3.12Å; D126-S128 PolarHBondContact OD1-N 3.2Å; D126-S128 PolarHBondContact OD1-OG 3.06Å
129T87.2Confident88.8Confident45 Ų4554.5 Ų54.528%0.27629%0.292SS..EExtended strand (participates in β ladder)trans-111.6171.8-167.448.90000113.8D126 P127 R171 G185 M186 R187D126-T129 WeakPolarHBondContact CB-OG1 3.45Å; D126-T129 PolarHBondContact O-N 2.76Å; D126-T129 PolarHBondContact O-OG1 3.2Å; D126-T129 VanDerWaalsContact O-OG1 3.09Å; P127-T129 VanDerWaalsContact C-N 3.34Å; T129-R171 PolarHBondContact O-NH2 3.28Å; T129-G185 PolarHBondContact O-N 3.44Å; T129-M186 CarbonylContact C-O 3.53Å; T129-M186 WeakPolarHBondContact CB-O 3.11Å; T129-M186 PolarHBondContact OG1-O 2.81Å; T129-R187 HydrophobicContact CG2-CB 4.47Å; T129-R187 PolarHBondContact OG1-N 3.21Å
130C87.8Confident88.9Confident55 Ų5554.7 Ų54.737%0.37229%0.293SS..EExtended strand (participates in β ladder)trans-149.3135.2166.957.70000111.7L173 C182 Y183 M186C130-L173 HydrophobicContact CB-CD1 4.39Å; C130-L173 WeakPolarHBondContact SG-CD1 3.47Å; C130-C182 HydrophobicContact CB-CB 4.23Å; C130-Y183 CarbonylContact C-O 3.53Å; C130-Y183 WeakPolarHBondContact CA-O 3.46Å; C130-Y183 VanDerWaalsContact CB-O 3.27Å; C130-Y183 WeakPolarHBondContact CB-O 3.45Å; C130-M186 PolarHBondContact N-O 3.13Å
131L90.6Very high89.2Confident29 Ų2956.3 Ų56.315%0.15230%0.295CS..EExtended strand (participates in β ladder)trans-99.5144.4172.6-69.1177.1000111L123 V136 C182 Y183 M186 K188L123-L131 HydrophobicContact CD2-CD1 3.71Å; L131-V136 HydrophobicContact CB-CG2 3.75Å; L131-V136 HydrophobicContact CD1-CG2 3.67Å; L131-V136 HydrophobicContact CG-CG2 4.31Å; L131-C182 CarbonylContact O-C 2.91Å; L131-C182 WeakPolarHBondContact O-CA 3.16Å; L131-C182 WeakPolarHBondContact O-CB 3.28Å; L131-Y183 PolarHBondContact N-O 3.06Å; L131-Y183 VanDerWaalsContact N-O 3.08Å; L131-Y183 PolarHBondContact O-N 2.73Å; L131-M186 HydrophobicContact CD1-CB 4.38Å; L131-M186 HydrophobicContact CG-CB 4.49Å; L131-K188 HydrophobicContact CD1-CB 4.49Å; L131-K188 HydrophobicContact CD2-CB 4.43Å
132R91.1Very high89.5Confident87 Ų8756.5 Ų56.533%0.32830%0.3SS..EExtended strand (participates in β ladder)trans-69.2140.1170.3-90.2173.662.5-169.68.3111.2D134 E135 V136R132-D134 WeakPolarHBondContact CB-OD1 3.34Å; R132-D134 IonicContact CZ-OD1 3.77Å; R132-D134 IonicContact CZ-OD2 3.77Å; R132-D134 IonicContact NE-OD1 3.91Å; R132-D134 PolarHBondContact NE-OD1 3.27Å; R132-D134 IonicContact NE-OD2 3.63Å; R132-D134 PolarHBondContact NE-OD2 3Å; R132-D134 IonicContact NH2-OD1 3.45Å; R132-D134 IonicContact NH2-OD2 3.58Å; R132-D134 PolarHBondContact NH2-OD2 3.21Å; R132-E135 HydrophobicContact CB-CB 4.01Å; R132-E135 HydrophobicContact CB-CG 3.8Å; R132-E135 WeakPolarHBondContact CB-OE2 3.15Å; R132-E135 WeakPolarHBondContact CD-OE1 3.4Å; R132-E135 IonicContact CZ-OE1 3.4Å; R132-E135 VanDerWaalsContact CZ-OE1 3.24Å; R132-E135 IonicContact NE-OE1 2.66Å; R132-E135 PolarHBondContact NE-OE1 3.14Å; R132-E135 IonicContact NH1-OE1 3.4Å; R132-E135 PolarHBondContact NH1-OE1 3.24Å; R132-V136 WeakPolarHBondContact O-CG2 3.41Å; R132-V136 PolarHBondContact O-N 3.39Å
133K92.6Very high89.7Confident66 Ų6657 Ų5729%0.28730%0.3SS..Hα-helixtrans-70.9-33.4-177.9-68.2-162.9-179.5-174.30113.2Y137 Y181 Y183K133-Y137 WeakPolarHBondContact O-CB 3.35Å; K133-Y137 PolarHBondContact O-N 3.41Å; K133-Y181 WeakPolarHBondContact CB-O 3.31Å; K133-Y181 WeakPolarHBondContact CG-O 3.31Å; K133-Y181 PolarHBondContact N-O 2.62Å; K133-Y183 HydrophobicContact CB-CE2 4.07Å; K133-Y183 HydrophobicContact CD-CE1 4.03Å; K133-Y183 HydrophobicContact CD-CE2 4.29Å; K133-Y183 HydrophobicContact CG-CD1 4.38Å; K133-Y183 HydrophobicContact CG-CD2 3.88Å; K133-Y183 HydrophobicContact CG-CE1 4.13Å; K133-Y183 HydrophobicContact CG-CE2 3.62Å; K133-Y183 HydrophobicContact CG-CG 4.25Å
134D92.3Very high89.8Confident51 Ų5156.9 Ų56.927%0.27330%0.299SS..Hα-helixtrans-66.2-54.4174.640.3-23.5000110.5R132 V136 Y137 D138R132-D134 WeakPolarHBondContact CB-OD1 3.34Å; R132-D134 IonicContact CZ-OD1 3.77Å; R132-D134 IonicContact CZ-OD2 3.77Å; R132-D134 IonicContact NE-OD1 3.91Å; R132-D134 PolarHBondContact NE-OD1 3.27Å; R132-D134 IonicContact NE-OD2 3.63Å; R132-D134 PolarHBondContact NE-OD2 3Å; R132-D134 IonicContact NH2-OD1 3.45Å; R132-D134 IonicContact NH2-OD2 3.58Å; R132-D134 PolarHBondContact NH2-OD2 3.21Å; D134-V136 VanDerWaalsContact C-N 3.33Å; D134-V136 PolarHBondContact O-N 2.8Å; D134-Y137 PolarHBondContact O-N 2.6Å; D134-D138 VanDerWaalsContact O-CG 3.31Å; D134-D138 PolarHBondContact O-N 3.31Å
135E92Very high89.9Confident89 Ų8960.5 Ų60.542%0.41632%0.316SS..Hα-helixtrans-54.2-44.6178.2-65.8174.7175.500113R132 Y137 D138 D139R132-E135 HydrophobicContact CB-CB 4.01Å; R132-E135 HydrophobicContact CB-CG 3.8Å; R132-E135 WeakPolarHBondContact CB-OE2 3.15Å; R132-E135 WeakPolarHBondContact CD-OE1 3.4Å; R132-E135 IonicContact CZ-OE1 3.4Å; R132-E135 VanDerWaalsContact CZ-OE1 3.24Å; R132-E135 IonicContact NE-OE1 2.66Å; R132-E135 PolarHBondContact NE-OE1 3.14Å; R132-E135 IonicContact NH1-OE1 3.4Å; R132-E135 PolarHBondContact NH1-OE1 3.24Å; E135-Y137 VanDerWaalsContact C-N 3.34Å; E135-Y137 PolarHBondContact O-N 2.67Å; E135-D138 PolarHBondContact O-N 3.26Å; E135-D139 WeakPolarHBondContact O-CB 3.05Å; E135-D139 PolarHBondContact O-N 2.95Å
136V92.6Very high90Very high3 Ų364 Ų642%0.01833%0.33CS..Hα-helixtrans-65.7-33177.9169.70000113.1W118 L123 L131 R132 D134 Y140 F157 Y183W118-V136 WeakPolarHBondContact CH2-O 3.1Å; W118-V136 HydrophobicContact CZ3-CG1 4.32Å; L123-V136 HydrophobicContact CD1-CG1 3.75Å; L123-V136 HydrophobicContact CD2-CG1 4.49Å; L123-V136 HydrophobicContact CD2-CG2 4.35Å; L131-V136 HydrophobicContact CB-CG2 3.75Å; L131-V136 HydrophobicContact CD1-CG2 3.67Å; L131-V136 HydrophobicContact CG-CG2 4.31Å; R132-V136 WeakPolarHBondContact O-CG2 3.41Å; R132-V136 PolarHBondContact O-N 3.39Å; D134-V136 VanDerWaalsContact C-N 3.33Å; D134-V136 PolarHBondContact O-N 2.8Å; V136-Y140 PolarHBondContact O-N 3.03Å; V136-F157 HydrophobicContact CG1-CE1 4.08Å; V136-F157 HydrophobicContact CG1-CZ 3.95Å; V136-Y183 HydrophobicContact CB-CE2 4.38Å; V136-Y183 HydrophobicContact CG1-CE2 4.25Å; V136-Y183 HydrophobicContact CG2-CD2 4.48Å
137Y94.2Very high89.9Confident27 Ų2767.5 Ų67.511%0.10635%0.345CS..Hα-helixtrans-81.8-32.3178.4-179.5-107.7000112.2K133 D134 E135 Y140 R141 L152 T154 F157K133-Y137 WeakPolarHBondContact O-CB 3.35Å; K133-Y137 PolarHBondContact O-N 3.41Å; D134-Y137 PolarHBondContact O-N 2.6Å; E135-Y137 VanDerWaalsContact C-N 3.34Å; E135-Y137 PolarHBondContact O-N 2.67Å; Y137-Y140 HydrophobicContact CD2-CD1 4.08Å; Y137-Y140 HydrophobicContact CE2-CD1 4.12Å; Y137-Y140 HydrophobicContact CE2-CE1 4.43Å; Y137-Y140 PolarHBondContact O-N 3.19Å; Y137-R141 PolarHBondContact O-N 3.48Å; Y137-L152 WeakPolarHBondContact CE2-O 3.45Å; Y137-L152 PolarHBondContact OH-O 3.02Å; Y137-T154 HydrophobicContact CD1-CG2 4.43Å; Y137-T154 HydrophobicContact CD2-CG2 4.43Å; Y137-T154 HydrophobicContact CE1-CG2 4.49Å; Y137-T154 WeakPolarHBondContact CE1-OG1 3.42Å; Y137-T154 HydrophobicContact CG-CG2 4.38Å; Y137-T154 PolarHBondContact OH-N 3.46Å; Y137-T154 PolarHBondContact OH-OG1 3.22Å; Y137-F157 HydrophobicContact CD2-CB 4.11Å; Y137-F157 AromaticContact CD2-CD1 3.79Å; Y137-F157 HydrophobicContact CD2-CD1 3.79Å; Y137-F157 HydrophobicContact CD2-CD2 4.33Å; Y137-F157 HydrophobicContact CD2-CE1 4.29Å; Y137-F157 AromaticContact CD2-CG 3.82Å; Y137-F157 HydrophobicContact CD2-CG 3.82Å; Y137-F157 HydrophobicContact CE2-CB 4.07Å; Y137-F157 HydrophobicContact CE2-CG 4.24Å
138D93.6Very high89.9Confident71 Ų7170.8 Ų70.838%0.3835%0.35SS..Hα-helixtrans-71.5-38.3174.5-64.3-30.1000111.2D134 E135 Y140 R141 A142D134-D138 VanDerWaalsContact O-CG 3.31Å; D134-D138 PolarHBondContact O-N 3.31Å; E135-D138 PolarHBondContact O-N 3.26Å; D138-Y140 VanDerWaalsContact C-N 3.34Å; D138-Y140 PolarHBondContact O-N 3.35Å; D138-R141 PolarHBondContact O-N 3.41Å; D138-R141 IonicContact OD1-CZ 3.36Å; D138-R141 IonicContact OD1-NH1 3.32Å; D138-R141 PolarHBondContact OD1-NH1 3.18Å; D138-R141 IonicContact OD1-NH2 2.68Å; D138-R141 PolarHBondContact OD1-NH2 3.11Å; D138-A142 PolarHBondContact O-N 3.03Å
139D92Very high89.9Confident56 Ų5668.3 Ų68.330%0.29933%0.329SS..Hα-helixtrans-54.7-46.4166.5-93.5-42.8000111.9W118 E135 A142 Y143 K188W118-D139 HydrophobicContact CH2-CB 3.82Å; W118-D139 HydrophobicContact CZ2-CB 3.83Å; E135-D139 WeakPolarHBondContact O-CB 3.05Å; E135-D139 PolarHBondContact O-N 2.95Å; D139-A142 PolarHBondContact O-N 3.14Å; D139-Y143 PolarHBondContact O-N 3.11Å; D139-K188 IonicContact OD1-NZ 3.04Å; D139-K188 PolarHBondContact OD1-NZ 3.42Å; D139-K188 WeakPolarHBondContact OD2-CE 3.18Å; D139-K188 IonicContact OD2-NZ 2.75Å; D139-K188 PolarHBondContact OD2-NZ 3.26Å
140Y93.9Very high89.8Confident3 Ų371.9 Ų71.91%0.01234%0.341CS..Hα-helixtrans-66.8-39176.6168.7-109.2000112.3A115 W118 V136 Y137 D138 Y143 C144 L152 F157A115-Y140 HydrophobicContact CB-CE2 3.82Å; W118-Y140 HydrophobicContact CB-CD2 4.42Å; W118-Y140 AromaticContact CD2-CD2 3.93Å; W118-Y140 HydrophobicContact CD2-CD2 3.93Å; W118-Y140 AromaticContact CE3-CD2 3.95Å; W118-Y140 HydrophobicContact CE3-CD2 3.95Å; W118-Y140 HydrophobicContact CE3-CG 4.32Å; W118-Y140 HydrophobicContact CG-CD2 4.11Å; V136-Y140 PolarHBondContact O-N 3.03Å; Y137-Y140 HydrophobicContact CD2-CD1 4.08Å; Y137-Y140 HydrophobicContact CE2-CD1 4.12Å; Y137-Y140 HydrophobicContact CE2-CE1 4.43Å; Y137-Y140 PolarHBondContact O-N 3.19Å; D138-Y140 VanDerWaalsContact C-N 3.34Å; D138-Y140 PolarHBondContact O-N 3.35Å; Y140-Y143 PolarHBondContact O-N 3.42Å; Y140-C144 WeakPolarHBondContact CE2-SG 3.06Å; Y140-C144 PolarHBondContact O-N 3.03Å; Y140-C144 PolarHBondContact O-SG 3.36Å; Y140-L152 HydrophobicContact CE1-CB 4.18Å; Y140-L152 PolarHBondContact OH-N 3.2Å; Y140-F157 AromaticContact CD1-CD2 3.48Å; Y140-F157 HydrophobicContact CD1-CD2 3.48Å; Y140-F157 VanDerWaalsContact CD1-CD2 3.48Å; Y140-F157 AromaticContact CD1-CE2 3.61Å; Y140-F157 HydrophobicContact CD1-CE2 3.61Å; Y140-F157 HydrophobicContact CD1-CG 4.34Å; Y140-F157 HydrophobicContact CD2-CD2 4.33Å; Y140-F157 AromaticContact CD2-CE2 3.92Å; Y140-F157 HydrophobicContact CD2-CE2 3.92Å; Y140-F157 AromaticContact CE1-CD2 3.69Å; Y140-F157 HydrophobicContact CE1-CD2 3.69Å; Y140-F157 HydrophobicContact CE1-CE2 4.2Å; Y140-F157 HydrophobicContact CE2-CE2 4.48Å; Y140-F157 AromaticContact CG-CD2 3.83Å; Y140-F157 HydrophobicContact CG-CD2 3.83Å; Y140-F157 AromaticContact CG-CE2 3.45Å; Y140-F157 HydrophobicContact CG-CE2 3.45Å; Y140-F157 VanDerWaalsContact CG-CE2 3.45Å; Y140-F157 HydrophobicContact CG-CZ 4.33Å
141R92.2Very high89.7Confident104 Ų10471.9 Ų71.939%0.39234%0.339SS..Hα-helixtrans-59.2-49.8174.2-172.8-169.4-62.9109.12.8110.5Y137 D138 Y143 C144 E145 T151Y137-R141 PolarHBondContact O-N 3.48Å; D138-R141 PolarHBondContact O-N 3.41Å; D138-R141 IonicContact OD1-CZ 3.36Å; D138-R141 IonicContact OD1-NH1 3.32Å; D138-R141 PolarHBondContact OD1-NH1 3.18Å; D138-R141 IonicContact OD1-NH2 2.68Å; D138-R141 PolarHBondContact OD1-NH2 3.11Å; R141-Y143 VanDerWaalsContact C-N 3.3Å; R141-Y143 PolarHBondContact O-N 3.1Å; R141-C144 PolarHBondContact O-N 3.38Å; R141-E145 WeakPolarHBondContact O-CB 3.28Å; R141-E145 PolarHBondContact O-N 3.06Å; R141-T151 HydrophobicContact CB-CG2 4.43Å; R141-T151 HydrophobicContact CG-CG2 4.12Å
142A91.6Very high89.6Confident55 Ų5570.7 Ų70.746%0.45533%0.332SS..Hα-helixtrans-63.3-35.118000000112.4D138 D139 K146D138-A142 PolarHBondContact O-N 3.03Å; D139-A142 PolarHBondContact O-N 3.14Å; A142-K146 VanDerWaalsContact O-CB 3.3Å; A142-K146 WeakPolarHBondContact O-CB 3.31Å; A142-K146 PolarHBondContact O-N 2.93Å
143Y89.7Confident89.6Confident69 Ų6971.3 Ų71.327%0.27134%0.342SS..Hα-helixtrans-63-49.3171174.7-94.6000111.9W118 D139 Y140 R141 E145 K146 H147 M149W118-Y143 HydrophobicContact CB-CE1 4.43Å; W118-Y143 AromaticContact CD1-CD1 3.3Å; W118-Y143 AromaticContact CD1-CD2 3.54Å; W118-Y143 AromaticContact CD1-CE1 3.66Å; W118-Y143 AromaticContact CD1-CE2 3.88Å; W118-Y143 AromaticContact CD1-CG 3.24Å; W118-Y143 AromaticContact CD1-CZ 3.95Å; W118-Y143 HydrophobicContact CG-CD1 4.04Å; W118-Y143 HydrophobicContact CG-CE1 4.33Å; W118-Y143 HydrophobicContact CG-CG 4.3Å; W118-Y143 AromaticContact NE1-CD1 3.87Å; W118-Y143 AromaticContact NE1-CD2 3.66Å; W118-Y143 AromaticContact NE1-CG 3.36Å; D139-Y143 PolarHBondContact O-N 3.11Å; Y140-Y143 PolarHBondContact O-N 3.42Å; R141-Y143 VanDerWaalsContact C-N 3.3Å; R141-Y143 PolarHBondContact O-N 3.1Å; Y143-E145 PolarHBondContact O-N 2.95Å; Y143-K146 PolarHBondContact O-N 3.27Å; Y143-H147 AromaticContact CD2-CD2 3.62Å; Y143-H147 AromaticContact CD2-NE2 3.94Å; Y143-H147 AromaticContact CE2-CD2 3.33Å; Y143-H147 WeakPolarHBondContact CE2-CD2 3.39Å; Y143-H147 AromaticContact CE2-NE2 3.43Å; Y143-H147 WeakPolarHBondContact CE2-NE2 3.48Å; Y143-H147 AromaticContact CZ-CD2 3.67Å; Y143-H147 PolarHBondContact O-CD2 3.37Å; Y143-H147 VanDerWaalsContact O-CD2 3.31Å; Y143-H147 PolarHBondContact O-N 2.94Å; Y143-H147 VanDerWaalsContact O-N 3.12Å; Y143-M149 HydrophobicContact CE1-SD 3.87Å
144C90.6Very high89.5Confident1 Ų171.9 Ų71.91%0.00735%0.351CS..Hα-helixtrans-61.4-43178.4-73.30000112.4Y140 R141 H147 H148 M149 T151Y140-C144 WeakPolarHBondContact CE2-SG 3.06Å; Y140-C144 PolarHBondContact O-N 3.03Å; Y140-C144 PolarHBondContact O-SG 3.36Å; R141-C144 PolarHBondContact O-N 3.38Å; C144-H147 CarbonylContact O-C 3.42Å; C144-H147 PolarHBondContact O-N 3.47Å; C144-H148 PolarHBondContact O-N 2.92Å; C144-M149 HydrophobicContact CB-CB 4.13Å; C144-M149 PolarHBondContact O-N 3.4Å; C144-T151 HydrophobicContact CB-CG2 3.4Å
145E89.9Confident89.4Confident141 Ų14172.2 Ų72.266%0.65936%0.361SS*.Hα-helixtrans-58.8-48.7176.3-175.8171.6-166.600111.6R141 Y143 H147 H148R141-E145 WeakPolarHBondContact O-CB 3.28Å; R141-E145 PolarHBondContact O-N 3.06Å; Y143-E145 PolarHBondContact O-N 2.95Å; E145-H147 PolarHBondContact O-N 2.74Å; E145-H148 PolarHBondContact O-N 3.32Å
146K87.9Confident89.3Confident161 Ų16169.2 Ų69.270%0.735%0.348SS*.Hα-helixtrans-59.5-30.4176.1-178.5-178.4176.8-172.40113.8A142 Y143A142-K146 VanDerWaalsContact O-CB 3.3Å; A142-K146 WeakPolarHBondContact O-CB 3.31Å; A142-K146 PolarHBondContact O-N 2.93Å; Y143-K146 PolarHBondContact O-N 3.27Å
147H82.5Confident89.3Confident93 Ų9369.1 Ų69.143%0.43135%0.347SS..THydrogen-bonded Turntrans-103.79.7-178.1-73.7-79.4000113.7Y143 C144 E145 M149Y143-H147 AromaticContact CD2-CD2 3.62Å; Y143-H147 AromaticContact CD2-NE2 3.94Å; Y143-H147 AromaticContact CE2-CD2 3.33Å; Y143-H147 WeakPolarHBondContact CE2-CD2 3.39Å; Y143-H147 AromaticContact CE2-NE2 3.43Å; Y143-H147 WeakPolarHBondContact CE2-NE2 3.48Å; Y143-H147 AromaticContact CZ-CD2 3.67Å; Y143-H147 PolarHBondContact O-CD2 3.37Å; Y143-H147 VanDerWaalsContact O-CD2 3.31Å; Y143-H147 PolarHBondContact O-N 2.94Å; Y143-H147 VanDerWaalsContact O-N 3.12Å; C144-H147 CarbonylContact O-C 3.42Å; C144-H147 PolarHBondContact O-N 3.47Å; E145-H147 PolarHBondContact O-N 2.74Å; H147-M149 HydrophobicContact CB-CG 3.75Å; H147-M149 HydrophobicContact CB-SD 3.58Å; H147-M149 VanDerWaalsContact CB-SD 3.58Å; H147-M149 WeakPolarHBondContact O-CG 3.41Å; H147-M149 PolarHBondContact O-N 2.82Å
148H82.1Confident89.2Confident182 Ų18268.9 Ų68.984%0.84335%0.354SS*.THydrogen-bonded Turntrans54.733.2-176.9-50.8-49000114.2C144 E145C144-H148 PolarHBondContact O-N 2.92Å; E145-H148 PolarHBondContact O-N 3.32Å
149M81.8Confident89Confident47 Ų4770.7 Ų70.723%0.23236%0.358CS..PPolyproline II helixtrans-96.6145.2-178.7-54171.877.400110.5Q114 Y143 C144 H147Q114-M149 HydrophobicContact CB-CE 3.63Å; Q114-M149 HydrophobicContact CG-CE 3.58Å; Y143-M149 HydrophobicContact CE1-SD 3.87Å; C144-M149 HydrophobicContact CB-CB 4.13Å; C144-M149 PolarHBondContact O-N 3.4Å; H147-M149 HydrophobicContact CB-CG 3.75Å; H147-M149 HydrophobicContact CB-SD 3.58Å; H147-M149 VanDerWaalsContact CB-SD 3.58Å; H147-M149 WeakPolarHBondContact O-CG 3.41Å; H147-M149 PolarHBondContact O-N 2.82Å
150K84.4Confident89Confident120 Ų12068.1 Ų68.152%0.52234%0.344SS..PPolyproline II helixtrans-72.8130.7171.5172.2161.2155.3-76.70109.8E111E111-K150 WeakPolarHBondContact OE1-CB 3.24Å; E111-K150 VanDerWaalsContact OE1-CD 3.28Å; E111-K150 WeakPolarHBondContact OE1-CD 3.46Å; E111-K150 VanDerWaalsContact OE1-CG 3.32Å; E111-K150 WeakPolarHBondContact OE1-CG 3.38Å; E111-K150 IonicContact OE1-NZ 2.66Å; E111-K150 PolarHBondContact OE1-NZ 2.82Å; E111-K150 IonicContact OE2-NZ 2.8Å; E111-K150 PolarHBondContact OE2-NZ 2.84Å
151T87.2Confident88.8Confident54 Ų5468.1 Ų68.133%0.33135%0.345SS..PPolyproline II helixtrans-76.2135.9178.442.60000111.3R141 C144R141-T151 HydrophobicContact CB-CG2 4.43Å; R141-T151 HydrophobicContact CG-CG2 4.12Å; C144-T151 HydrophobicContact CB-CG2 3.4Å
152L88.2Confident88.7Confident4 Ų471 Ų712%0.02136%0.36CS..PPolyproline II helixtrans-63.6142.6164.5-73179.3000110.6E111 Q112 A115 Y137 Y140 D156 F157 V160E111-L152 HydrophobicContact CB-CD2 3.55Å; E111-L152 HydrophobicContact CB-CG 4.17Å; Q112-L152 HydrophobicContact CG-CD1 4.18Å; Q112-L152 HydrophobicContact CG-CD2 4.2Å; A115-L152 HydrophobicContact CB-CD1 3.39Å; A115-L152 HydrophobicContact CB-CG 4.31Å; Y137-L152 WeakPolarHBondContact CE2-O 3.45Å; Y137-L152 PolarHBondContact OH-O 3.02Å; Y140-L152 HydrophobicContact CE1-CB 4.18Å; Y140-L152 PolarHBondContact OH-N 3.2Å; L152-D156 HydrophobicContact CD2-CB 4.36Å; L152-F157 HydrophobicContact CB-CB 4.32Å; L152-V160 HydrophobicContact CD1-CG2 3.95Å
153N89.5Confident88.5Confident100 Ų10075.3 Ų75.354%0.53536%0.364SS..PPolyproline II helixtrans-54.3142.2164.3-179.65.4000110.4A155 D156 F157N153-A155 PolarHBondContact O-N 2.94Å; N153-A155 PolarHBondContact OD1-N 3.42Å; N153-D156 PolarHBondContact O-N 3.19Å; N153-F157 PolarHBondContact O-N 2.87Å
154T91.2Very high88.4Confident78 Ų7872.5 Ų72.548%0.47936%0.356SS..Hα-helixtrans-51.8-33.4179.1-45.20000113Y137 G158Y137-T154 HydrophobicContact CD1-CG2 4.43Å; Y137-T154 HydrophobicContact CD2-CG2 4.43Å; Y137-T154 HydrophobicContact CE1-CG2 4.49Å; Y137-T154 WeakPolarHBondContact CE1-OG1 3.42Å; Y137-T154 HydrophobicContact CG-CG2 4.38Å; Y137-T154 PolarHBondContact OH-N 3.46Å; Y137-T154 PolarHBondContact OH-OG1 3.22Å; T154-G158 PolarHBondContact O-N 2.8Å
155A90.4Very high88.4Confident58 Ų5873.3 Ų73.348%0.47936%0.359SS..Hα-helixtrans-65.2-41.3174.700000113N153 K159N153-A155 PolarHBondContact O-N 2.94Å; N153-A155 PolarHBondContact OD1-N 3.42Å; A155-K159 WeakPolarHBondContact O-CG 3.48Å; A155-K159 PolarHBondContact O-N 2.88Å
156D90.1Very high88.3Confident26 Ų2671.5 Ų71.514%0.13936%0.36CS..Hα-helixtrans-80.3-39.7-179.4-65.8-61.1000111.9L152 N153 G158 K159 V160L152-D156 HydrophobicContact CD2-CB 4.36Å; N153-D156 PolarHBondContact O-N 3.19Å; D156-G158 PolarHBondContact O-N 3.09Å; D156-K159 WeakPolarHBondContact O-CA 3.27Å; D156-K159 WeakPolarHBondContact O-CB 3.15Å; D156-K159 PolarHBondContact O-N 3.26Å; D156-K159 WeakPolarHBondContact OD1-CD 3.41Å; D156-K159 WeakPolarHBondContact OD1-CE 3.36Å; D156-K159 IonicContact OD1-NZ 3.99Å; D156-K159 PolarHBondContact OD1-NZ 3.41Å; D156-V160 WeakPolarHBondContact O-CG2 3.34Å; D156-V160 PolarHBondContact O-N 3.32Å
157F92.7Very high88.2Confident1 Ų168.7 Ų68.70%0.00435%0.352CS..Hα-helixtrans-52.4-44.1166.1-178.3-94.8000110.9W118 I119 V136 Y137 Y140 L152 N153 K159 V160 M161W118-F157 HydrophobicContact CE3-CE2 4.27Å; W118-F157 HydrophobicContact CE3-CZ 4.49Å; W118-F157 HydrophobicContact CZ3-CE2 4.27Å; W118-F157 HydrophobicContact CZ3-CZ 4.07Å; I119-F157 HydrophobicContact CD1-CD2 4.26Å; I119-F157 HydrophobicContact CD1-CE2 3.79Å; I119-F157 HydrophobicContact CD1-CZ 4.08Å; I119-F157 HydrophobicContact CG1-CE2 3.94Å; I119-F157 HydrophobicContact CG1-CZ 4.09Å; V136-F157 HydrophobicContact CG1-CE1 4.08Å; V136-F157 HydrophobicContact CG1-CZ 3.95Å; Y137-F157 HydrophobicContact CD2-CB 4.11Å; Y137-F157 AromaticContact CD2-CD1 3.79Å; Y137-F157 HydrophobicContact CD2-CD1 3.79Å; Y137-F157 HydrophobicContact CD2-CD2 4.33Å; Y137-F157 HydrophobicContact CD2-CE1 4.29Å; Y137-F157 AromaticContact CD2-CG 3.82Å; Y137-F157 HydrophobicContact CD2-CG 3.82Å; Y137-F157 HydrophobicContact CE2-CB 4.07Å; Y137-F157 HydrophobicContact CE2-CG 4.24Å; Y140-F157 AromaticContact CD1-CD2 3.48Å; Y140-F157 HydrophobicContact CD1-CD2 3.48Å; Y140-F157 VanDerWaalsContact CD1-CD2 3.48Å; Y140-F157 AromaticContact CD1-CE2 3.61Å; Y140-F157 HydrophobicContact CD1-CE2 3.61Å; Y140-F157 HydrophobicContact CD1-CG 4.34Å; Y140-F157 HydrophobicContact CD2-CD2 4.33Å; Y140-F157 AromaticContact CD2-CE2 3.92Å; Y140-F157 HydrophobicContact CD2-CE2 3.92Å; Y140-F157 AromaticContact CE1-CD2 3.69Å; Y140-F157 HydrophobicContact CE1-CD2 3.69Å; Y140-F157 HydrophobicContact CE1-CE2 4.2Å; Y140-F157 HydrophobicContact CE2-CE2 4.48Å; Y140-F157 AromaticContact CG-CD2 3.83Å; Y140-F157 HydrophobicContact CG-CD2 3.83Å; Y140-F157 AromaticContact CG-CE2 3.45Å; Y140-F157 HydrophobicContact CG-CE2 3.45Å; Y140-F157 VanDerWaalsContact CG-CE2 3.45Å; Y140-F157 HydrophobicContact CG-CZ 4.33Å; L152-F157 HydrophobicContact CB-CB 4.32Å; N153-F157 PolarHBondContact O-N 2.87Å; F157-K159 VanDerWaalsContact C-N 3.29Å; F157-K159 PolarHBondContact O-N 3.3Å; F157-V160 PolarHBondContact O-N 3.07Å; F157-M161 VanDerWaalsContact O-CB 3.31Å; F157-M161 WeakPolarHBondContact O-CB 3.22Å; F157-M161 PolarHBondContact O-N 3.31Å
158G91.3Very high88.4Confident23 Ų2365.3 Ų65.324%0.23734%0.338CS..Hα-helixtrans-63.1-26.517400000115.1T154 D156 K162T154-G158 PolarHBondContact O-N 2.8Å; D156-G158 PolarHBondContact O-N 3.09Å; G158-K162 PolarHBondContact O-N 3.08Å
159K90.5Very high88.6Confident108 Ų10864.1 Ų64.147%0.4733%0.33SS..Hα-helixtrans-74.6-45.9171.2-63.7167.6-165.2167.60110.8A155 D156 F157 M161 K162 R163A155-K159 WeakPolarHBondContact O-CG 3.48Å; A155-K159 PolarHBondContact O-N 2.88Å; D156-K159 WeakPolarHBondContact O-CA 3.27Å; D156-K159 WeakPolarHBondContact O-CB 3.15Å; D156-K159 PolarHBondContact O-N 3.26Å; D156-K159 WeakPolarHBondContact OD1-CD 3.41Å; D156-K159 WeakPolarHBondContact OD1-CE 3.36Å; D156-K159 IonicContact OD1-NZ 3.99Å; D156-K159 PolarHBondContact OD1-NZ 3.41Å; F157-K159 VanDerWaalsContact C-N 3.29Å; F157-K159 PolarHBondContact O-N 3.3Å; K159-M161 VanDerWaalsContact C-N 3.33Å; K159-M161 PolarHBondContact O-N 3.18Å; K159-K162 PolarHBondContact O-N 3.36Å; K159-R163 PolarHBondContact O-N 3.36Å
160V90.5Very high89Confident2 Ų266.6 Ų66.61%0.01235%0.35CS..Hα-helixtrans-62.1-43.2178-176.50000110.6Q112 A115 Y116 I119 L152 D156 F157 K162 R163 A164Q112-V160 HydrophobicContact CB-CG2 3.87Å; Q112-V160 HydrophobicContact CG-CG2 3.66Å; A115-V160 HydrophobicContact CB-CG1 4.36Å; Y116-V160 HydrophobicContact CD2-CG1 4.01Å; Y116-V160 HydrophobicContact CG-CG1 4.33Å; I119-V160 HydrophobicContact CD1-CB 4.22Å; I119-V160 HydrophobicContact CD1-CG1 3.87Å; L152-V160 HydrophobicContact CD1-CG2 3.95Å; D156-V160 WeakPolarHBondContact O-CG2 3.34Å; D156-V160 PolarHBondContact O-N 3.32Å; F157-V160 PolarHBondContact O-N 3.07Å; V160-K162 VanDerWaalsContact C-N 3.34Å; V160-K162 PolarHBondContact O-N 3.42Å; V160-R163 WeakPolarHBondContact O-CB 3.44Å; V160-R163 PolarHBondContact O-N 3.1Å; V160-A164 PolarHBondContact O-N 3.48Å
161M91Very high89.3Confident4 Ų465.6 Ų65.62%0.0234%0.343CS..Hα-helixtrans-54.3-45.7175.6-168.172-176.900112.7I119 L123 F157 K159 R163 A164 F165 Y183 M186I119-M161 HydrophobicContact CD1-CB 4.33Å; I119-M161 HydrophobicContact CD1-SD 4.05Å; I119-M161 HydrophobicContact CG1-SD 4.17Å; I119-M161 HydrophobicContact CG2-SD 3.84Å; L123-M161 HydrophobicContact CD1-CE 3.77Å; L123-M161 HydrophobicContact CD1-SD 4.08Å; F157-M161 VanDerWaalsContact O-CB 3.31Å; F157-M161 WeakPolarHBondContact O-CB 3.22Å; F157-M161 PolarHBondContact O-N 3.31Å; K159-M161 VanDerWaalsContact C-N 3.33Å; K159-M161 PolarHBondContact O-N 3.18Å; M161-R163 VanDerWaalsContact C-N 3.32Å; M161-R163 PolarHBondContact O-N 2.98Å; M161-A164 PolarHBondContact O-N 3.37Å; M161-F165 HydrophobicContact CE-CD2 4.34Å; M161-F165 PolarHBondContact O-N 2.99Å; M161-Y183 HydrophobicContact CE-CD1 4.18Å; M161-Y183 HydrophobicContact CE-CD2 3.84Å; M161-Y183 HydrophobicContact CE-CE1 4.31Å; M161-Y183 HydrophobicContact CE-CE2 3.95Å; M161-Y183 HydrophobicContact CE-CG 3.97Å; M161-Y183 HydrophobicContact CG-CD1 4.38Å; M161-Y183 HydrophobicContact CG-CE1 3.75Å; M161-Y183 HydrophobicContact CG-CE2 4.33Å; M161-M186 HydrophobicContact CE-CE 3.67Å; M161-M186 HydrophobicContact CE-SD 3.22Å; M161-M186 WeakPolarHBondContact CE-SD 3.47Å
162K90.1Very high89.6Confident163 Ų16370.7 Ų70.771%0.70936%0.356SS*.Hα-helixtrans-66.4-28.5175.5-77.5-174.8174.5-170.90114G158 K159 V160 P166G158-K162 PolarHBondContact O-N 3.08Å; K159-K162 PolarHBondContact O-N 3.36Å; V160-K162 VanDerWaalsContact C-N 3.34Å; V160-K162 PolarHBondContact O-N 3.42Å; K162-P166 WeakPolarHBondContact O-CA 3.23Å
163R87.9Confident89.7Confident146 Ų14674 Ų7455%0.55137%0.373SS*.Hα-helixtrans-77.1-35.6175.4-67.6176.9-174.8155.20.8112Y116 K159 V160 M161Y116-R163 HydrophobicContact CE2-CB 4.47Å; K159-R163 PolarHBondContact O-N 3.36Å; V160-R163 WeakPolarHBondContact O-CB 3.44Å; V160-R163 PolarHBondContact O-N 3.1Å; M161-R163 VanDerWaalsContact C-N 3.32Å; M161-R163 PolarHBondContact O-N 2.98Å
164A87.7Confident89.7Confident11 Ų1172.3 Ų72.39%0.09138%0.379CS..Hα-helixtrans-75.6-40.4179.400000112.4Y116 I119 M120 V160 M161Y116-A164 HydrophobicContact CD2-CB 3.92Å; Y116-A164 HydrophobicContact CE2-CB 3.69Å; I119-A164 HydrophobicContact CB-CB 4.46Å; I119-A164 HydrophobicContact CG2-CB 3.53Å; M120-A164 HydrophobicContact CE-CB 3.96Å; M120-A164 HydrophobicContact CG-CB 4.32Å; M120-A164 HydrophobicContact SD-CB 4.12Å; V160-A164 PolarHBondContact O-N 3.48Å; M161-A164 PolarHBondContact O-N 3.37Å
165F89.2Confident89.8Confident18 Ų1876.4 Ų76.48%0.07939%0.393CS..  trans-130.382.1179.6-66.1-77.8000111.2I119 M120 L123 E125 M161 N167 V168 M186I119-F165 HydrophobicContact CG2-CD2 3.78Å; I119-F165 HydrophobicContact CG2-CE2 3.57Å; M120-F165 HydrophobicContact CE-CD1 4.19Å; M120-F165 HydrophobicContact CE-CD2 4.02Å; M120-F165 HydrophobicContact CE-CE1 3.67Å; M120-F165 HydrophobicContact CE-CE2 3.48Å; M120-F165 VanDerWaalsContact CE-CE2 3.48Å; M120-F165 HydrophobicContact CE-CG 4.35Å; M120-F165 HydrophobicContact CE-CZ 3.29Å; L123-F165 HydrophobicContact CB-CE2 4.03Å; L123-F165 HydrophobicContact CB-CZ 4.29Å; E125-F165 HydrophobicContact CB-CD1 4.26Å; E125-F165 HydrophobicContact CB-CE1 4.24Å; M161-F165 HydrophobicContact CE-CD2 4.34Å; M161-F165 PolarHBondContact O-N 2.99Å; F165-N167 VanDerWaalsContact C-N 3.28Å; F165-N167 PolarHBondContact O-N 3Å; F165-V168 HydrophobicContact CB-CB 4.1Å; F165-V168 HydrophobicContact CB-CG2 3.6Å; F165-V168 HydrophobicContact CG-CG2 4.31Å; F165-V168 PolarHBondContact O-N 3.35Å; F165-M186 HydrophobicContact CB-CE 4.48Å; F165-M186 HydrophobicContact CD1-CE 4.09Å; F165-M186 HydrophobicContact CD2-CE 3.39Å; F165-M186 HydrophobicContact CD2-SD 4.46Å; F165-M186 HydrophobicContact CE1-CE 4.1Å; F165-M186 HydrophobicContact CE2-CE 3.39Å; F165-M186 HydrophobicContact CG-CE 3.74Å; F165-M186 HydrophobicContact CZ-CE 3.76Å
166P88.5Confident89.8Confident103 Ų10385.9 Ų85.967%0.66942%0.417SS*.THydrogen-bonded Turntrans-68.3-25.4-178.127.4-35.2000113.7K162 V168K162-P166 WeakPolarHBondContact O-CA 3.23Å; P166-V168 VanDerWaalsContact C-N 3.28Å; P166-V168 PolarHBondContact O-N 3.39Å
167N85.3Confident89.8Confident101 Ų10188.1 Ų88.154%0.5445%0.446SS..THydrogen-bonded Turntrans-70.9-22.2179.7-61.4-24.6000113.5E125 F165 K169E125-N167 WeakPolarHBondContact OE1-CB 3.24Å; E125-N167 PolarHBondContact OE1-ND2 3.49Å; E125-N167 VanDerWaalsContact OE1-ND2 3.08Å; E125-N167 PolarHBondContact OE2-ND2 2.85Å; F165-N167 VanDerWaalsContact C-N 3.28Å; F165-N167 PolarHBondContact O-N 3Å; N167-K169 PolarHBondContact O-N 3.05Å
168V86.7Confident89.7Confident22 Ų2293.8 Ų93.813%0.13347%0.472CS..PPolyproline II helixtrans-75.6116-166.1165.80000111.5F165 P166 Y183 M186F165-V168 HydrophobicContact CB-CB 4.1Å; F165-V168 HydrophobicContact CB-CG2 3.6Å; F165-V168 HydrophobicContact CG-CG2 4.31Å; F165-V168 PolarHBondContact O-N 3.35Å; P166-V168 VanDerWaalsContact C-N 3.28Å; P166-V168 PolarHBondContact O-N 3.39Å; V168-Y183 HydrophobicContact CG1-CD1 3.93Å; V168-Y183 HydrophobicContact CG1-CG 4.25Å; V168-M186 HydrophobicContact CB-CG 4.24Å; V168-M186 HydrophobicContact CB-SD 4.24Å; V168-M186 HydrophobicContact CG1-CG 3.79Å; V168-M186 HydrophobicContact CG1-SD 3.69Å; V168-M186 HydrophobicContact CG2-CE 4.41Å; V168-M186 HydrophobicContact CG2-CG 3.36Å; V168-M186 HydrophobicContact CG2-SD 3.67Å
169K86Confident89.6Confident158 Ų15894 Ų9469%0.68747%0.47SS*.EExtended strand (participates in β ladder)trans-89.4130.6-175.4-68.9172-174.9172.40110.3N167 R171 G184N167-K169 PolarHBondContact O-N 3.05Å; K169-R171 PolarHBondContact O-N 2.82Å; K169-G184 PolarHBondContact N-O 3.1Å; K169-G184 WeakPolarHBondContact O-CA 3.32Å; K169-G184 PolarHBondContact O-N 2.91Å
170P90.8Very high89.7Confident98 Ų9894.2 Ų94.264%0.63647%0.468SS*.EExtended strand (participates in β ladder)trans-66.3124.8173.428-33.2000109.7
171R91.3Very high89.8Confident100 Ų100100.6 Ų100.638%0.37749%0.493SS..EExtended strand (participates in β ladder)trans-109.3150.8171.5-64.7-160.1-92.3-136.41.2109.6T129 K169 L173 C182 G184T129-R171 PolarHBondContact O-NH2 3.28Å; K169-R171 PolarHBondContact O-N 2.82Å; R171-L173 HydrophobicContact CB-CD2 4.45Å; R171-L173 HydrophobicContact CB-CG 4.37Å; R171-C182 PolarHBondContact N-O 2.84Å; R171-C182 PolarHBondContact O-N 3.18Å; R171-G184 VanDerWaalsContact NE-CA 3.33Å
172R92.5Very high89.9Confident160 Ų160100.7 Ų100.760%0.60449%0.494SS*.EExtended strand (participates in β ladder)trans-118.7121.6168.9-176.9179.7178.7-177.1-0.5107S179 R180 Y181R172-S179 PolarHBondContact NE-OG 3.44Å; R172-S179 PolarHBondContact NH2-OG 3.4Å; R172-R180 WeakPolarHBondContact CA-O 3.42Å; R172-Y181 HydrophobicContact CB-CD1 4.22Å; R172-Y181 HydrophobicContact CB-CE1 4.31Å; R172-Y181 HydrophobicContact CG-CD1 4.26Å; R172-Y181 HydrophobicContact CG-CE1 4.12Å
173L90.1Very high90.1Very high73 Ų7394.1 Ų94.138%0.38247%0.465SS..EExtended strand (participates in β ladder)trans-127.7159.2-170.3-60178.7000110.4C130 R171 S179 R180 C182C130-L173 HydrophobicContact CB-CD1 4.39Å; C130-L173 WeakPolarHBondContact SG-CD1 3.47Å; R171-L173 HydrophobicContact CB-CD2 4.45Å; R171-L173 HydrophobicContact CB-CG 4.37Å; L173-S179 CarbonylContact O-C 3.44Å; L173-S179 WeakPolarHBondContact O-CA 3.3Å; L173-R180 PolarHBondContact N-O 3.01Å; L173-R180 PolarHBondContact O-N 2.94Å; L173-C182 HydrophobicContact CD1-CB 4.22Å
174G90.8Very high90.2Very high65 Ų6587.4 Ų87.467%0.6744%0.441SS*.SBendtrans90.2163.2-178.400000114.2
175Q91.6Very high90.2Very high165 Ų16587.4 Ų87.477%0.77144%0.442SS*.SBendtrans-71.1168.7-170.2-60.9179.43.300113.6G177 Q178 S179Q175-G177 PolarHBondContact O-N 3.08Å; Q175-Q178 CarbonylContact O-C 3.13Å; Q175-Q178 PolarHBondContact O-N 2.66Å; Q175-S179 PolarHBondContact O-N 3.46Å
176R91.6Very high90.2Very high257 Ų25786.5 Ų86.597%0.9744%0.438SS*.THydrogen-bonded Turntrans-55127.2173.2-173.6176.4-179.1173-0.3109.7Q178R176-Q178 VanDerWaalsContact C-N 3.29Å; R176-Q178 PolarHBondContact O-N 2.77Å
177G90.8Very high90.1Very high73 Ų7386 Ų8675%0.75342%0.423SS*.THydrogen-bonded Turntrans86.7-25.1-174.900000115.2Q175Q175-G177 PolarHBondContact O-N 3.08Å
178Q89.6Confident90.1Very high120 Ų12085.4 Ų85.456%0.56142%0.415SS*.THydrogen-bonded Turntrans-111.31.7178.2-70.5-62.3-10.200114.8Q175 R176 R180Q175-Q178 CarbonylContact O-C 3.13Å; Q175-Q178 PolarHBondContact O-N 2.66Å; R176-Q178 VanDerWaalsContact C-N 3.29Å; R176-Q178 PolarHBondContact O-N 2.77Å; Q178-R180 PolarHBondContact O-N 3.16Å; Q178-R180 PolarHBondContact O-NE 3.42Å; Q178-R180 VanDerWaalsContact O-NE 3.1Å
179S90.1Very high89.9Confident27 Ų2788.1 Ų88.119%0.18943%0.426CS..  trans-56.8127.5-174.769.90000113.4R172 L173 Q175R172-S179 PolarHBondContact NE-OG 3.44Å; R172-S179 PolarHBondContact NH2-OG 3.4Å; L173-S179 CarbonylContact O-C 3.44Å; L173-S179 WeakPolarHBondContact O-CA 3.3Å; Q175-S179 PolarHBondContact O-N 3.46Å
180R91Very high88.8Confident112 Ų11287 Ų8742%0.42343%0.432SS..EExtended strand (participates in β ladder)trans-110.5157.9175.6-52.3-60.8157.4158.7-5.6110.8R172 L173 Q178R172-R180 WeakPolarHBondContact CA-O 3.42Å; L173-R180 PolarHBondContact N-O 3.01Å; L173-R180 PolarHBondContact O-N 2.94Å; Q178-R180 PolarHBondContact O-N 3.16Å; Q178-R180 PolarHBondContact O-NE 3.42Å; Q178-R180 VanDerWaalsContact O-NE 3.1Å
181Y94.2Very high86.7Confident137 Ų13788.3 Ų88.354%0.53743%0.43SS..EExtended strand (participates in β ladder)trans-96.2135.6175.1-66.2-76.6000109.9K133 R172K133-Y181 WeakPolarHBondContact CB-O 3.31Å; K133-Y181 WeakPolarHBondContact CG-O 3.31Å; K133-Y181 PolarHBondContact N-O 2.62Å; R172-Y181 HydrophobicContact CB-CD1 4.22Å; R172-Y181 HydrophobicContact CB-CE1 4.31Å; R172-Y181 HydrophobicContact CG-CD1 4.26Å; R172-Y181 HydrophobicContact CG-CE1 4.12Å
182C92.7Very high84.8Confident6 Ų689.8 Ų89.84%0.04144%0.444CS..EExtended strand (participates in β ladder)trans-128.9156-178.3-58.40000111.5C130 L131 R171 L173C130-C182 HydrophobicContact CB-CB 4.23Å; L131-C182 CarbonylContact O-C 2.91Å; L131-C182 WeakPolarHBondContact O-CA 3.16Å; L131-C182 WeakPolarHBondContact O-CB 3.28Å; R171-C182 PolarHBondContact N-O 2.84Å; R171-C182 PolarHBondContact O-N 3.18Å; L173-C182 HydrophobicContact CD1-CB 4.22Å
183Y94.1Very high82.3Confident24 Ų2487.2 Ų87.29%0.09444%0.438CS..EExtended strand (participates in β ladder)trans-85.8119.6159.9-63.7-63.7000108C130 L131 K133 V136 M161 V168 M186C130-Y183 CarbonylContact C-O 3.53Å; C130-Y183 WeakPolarHBondContact CA-O 3.46Å; C130-Y183 VanDerWaalsContact CB-O 3.27Å; C130-Y183 WeakPolarHBondContact CB-O 3.45Å; L131-Y183 PolarHBondContact N-O 3.06Å; L131-Y183 VanDerWaalsContact N-O 3.08Å; L131-Y183 PolarHBondContact O-N 2.73Å; K133-Y183 HydrophobicContact CB-CE2 4.07Å; K133-Y183 HydrophobicContact CD-CE1 4.03Å; K133-Y183 HydrophobicContact CD-CE2 4.29Å; K133-Y183 HydrophobicContact CG-CD1 4.38Å; K133-Y183 HydrophobicContact CG-CD2 3.88Å; K133-Y183 HydrophobicContact CG-CE1 4.13Å; K133-Y183 HydrophobicContact CG-CE2 3.62Å; K133-Y183 HydrophobicContact CG-CG 4.25Å; V136-Y183 HydrophobicContact CB-CE2 4.38Å; V136-Y183 HydrophobicContact CG1-CE2 4.25Å; V136-Y183 HydrophobicContact CG2-CD2 4.48Å; M161-Y183 HydrophobicContact CE-CD1 4.18Å; M161-Y183 HydrophobicContact CE-CD2 3.84Å; M161-Y183 HydrophobicContact CE-CE1 4.31Å; M161-Y183 HydrophobicContact CE-CE2 3.95Å; M161-Y183 HydrophobicContact CE-CG 3.97Å; M161-Y183 HydrophobicContact CG-CD1 4.38Å; M161-Y183 HydrophobicContact CG-CE1 3.75Å; M161-Y183 HydrophobicContact CG-CE2 4.33Å; V168-Y183 HydrophobicContact CG1-CD1 3.93Å; V168-Y183 HydrophobicContact CG1-CG 4.25Å; Y183-M186 HydrophobicContact CG-SD 4.3Å
184G90.4Very high80.1Confident6 Ų687.4 Ų87.46%0.06244%0.444CS..EExtended strand (participates in β ladder)trans-95.9132.8178.500000111.6K169 R171K169-G184 PolarHBondContact N-O 3.1Å; K169-G184 WeakPolarHBondContact O-CA 3.32Å; K169-G184 PolarHBondContact O-N 2.91Å; R171-G184 VanDerWaalsContact NE-CA 3.33Å
185G87.1Confident77.9Confident10 Ų1090.1 Ų90.110%0.10345%0.45CS..EExtended strand (participates in β ladder)trans89.933.9-173.600000112.6E125 D126 T129E125-G185 WeakPolarHBondContact CA-O 3.38Å; E125-G185 WeakPolarHBondContact CG-O 3.29Å; D126-G185 PolarHBondContact N-O 2.95Å; D126-G185 CarbonylContact O-C 3.59Å; D126-G185 WeakPolarHBondContact O-CA 3.48Å; T129-G185 PolarHBondContact O-N 3.44Å
186M88.4Confident75.4Confident0 Ų091.2 Ų91.20%045%0.448CS..EExtended strand (participates in β ladder)trans-147.1143.3-175.9-64.7-159.58400113.7L123 E124 D126 T129 C130 L131 M161 F165 V168 Y183L123-M186 HydrophobicContact CB-CE 3.78Å; L123-M186 HydrophobicContact CD1-CE 4.29Å; E124-M186 WeakPolarHBondContact O-CA 3.43Å; D126-M186 PolarHBondContact O-N 3.4Å; D126-M186 VanDerWaalsContact O-N 3.14Å; T129-M186 CarbonylContact C-O 3.53Å; T129-M186 WeakPolarHBondContact CB-O 3.11Å; T129-M186 PolarHBondContact OG1-O 2.81Å; C130-M186 PolarHBondContact N-O 3.13Å; L131-M186 HydrophobicContact CD1-CB 4.38Å; L131-M186 HydrophobicContact CG-CB 4.49Å; M161-M186 HydrophobicContact CE-CE 3.67Å; M161-M186 HydrophobicContact CE-SD 3.22Å; M161-M186 WeakPolarHBondContact CE-SD 3.47Å; F165-M186 HydrophobicContact CB-CE 4.48Å; F165-M186 HydrophobicContact CD1-CE 4.09Å; F165-M186 HydrophobicContact CD2-CE 3.39Å; F165-M186 HydrophobicContact CD2-SD 4.46Å; F165-M186 HydrophobicContact CE1-CE 4.1Å; F165-M186 HydrophobicContact CE2-CE 3.39Å; F165-M186 HydrophobicContact CG-CE 3.74Å; F165-M186 HydrophobicContact CZ-CE 3.76Å; V168-M186 HydrophobicContact CB-CG 4.24Å; V168-M186 HydrophobicContact CB-SD 4.24Å; V168-M186 HydrophobicContact CG1-CG 3.79Å; V168-M186 HydrophobicContact CG1-SD 3.69Å; V168-M186 HydrophobicContact CG2-CE 4.41Å; V168-M186 HydrophobicContact CG2-CG 3.36Å; V168-M186 HydrophobicContact CG2-SD 3.67Å; Y183-M186 HydrophobicContact CG-SD 4.3Å
187R86.4Confident72.8Confident93 Ų9386.1 Ų86.135%0.35144%0.44SS..EExtended strand (participates in β ladder)trans-124.6164.1165.966.5-179.7179.7-146.47.9111.5E124 D126 T129E124-R187 HydrophobicContact CB-CG 4.03Å; E124-R187 VanDerWaalsContact CD-NE 3.35Å; E124-R187 PolarHBondContact N-O 2.92Å; E124-R187 PolarHBondContact O-N 3.21Å; E124-R187 IonicContact OE1-CZ 2.78Å; E124-R187 IonicContact OE1-NE 2.7Å; E124-R187 IonicContact OE1-NH2 2.74Å; E124-R187 PolarHBondContact OE1-NH2 3Å; E124-R187 IonicContact OE2-CZ 3.19Å; E124-R187 VanDerWaalsContact OE2-CZ 3.32Å; E124-R187 IonicContact OE2-NE 2.68Å; E124-R187 PolarHBondContact OE2-NE 3.5Å; E124-R187 IonicContact OE2-NH2 2.69Å; E124-R187 PolarHBondContact OE2-NH2 3.23Å; D126-R187 HydrophobicContact CB-CB 4.32Å; D126-R187 HydrophobicContact CB-CG 3.86Å; D126-R187 WeakPolarHBondContact OD2-CD 3.06Å; D126-R187 IonicContact OD2-CZ 2.66Å; D126-R187 IonicContact OD2-NE 3.45Å; D126-R187 IonicContact OD2-NH1 3.24Å; D126-R187 PolarHBondContact OD2-NH1 3.39Å; T129-R187 HydrophobicContact CG2-CB 4.47Å; T129-R187 PolarHBondContact OG1-N 3.21Å
188K86.5Confident70.6Confident87 Ų8787.5 Ų87.538%0.37844%0.436SS..EExtended strand (participates in β ladder)trans-78.3139.2167.6-166.8171.1-175170.50107.3H122 L123 L131 D139 T190H122-K188 WeakPolarHBondContact O-CG 3.12Å; L123-K188 HydrophobicContact CD2-CG 4.45Å; L131-K188 HydrophobicContact CD1-CB 4.49Å; L131-K188 HydrophobicContact CD2-CB 4.43Å; D139-K188 IonicContact OD1-NZ 3.04Å; D139-K188 PolarHBondContact OD1-NZ 3.42Å; D139-K188 WeakPolarHBondContact OD2-CE 3.18Å; D139-K188 IonicContact OD2-NZ 2.75Å; D139-K188 PolarHBondContact OD2-NZ 3.26Å; K188-T190 PolarHBondContact O-N 3.47Å; K188-T190 PolarHBondContact O-OG1 3.49Å
189K81.8Confident68.1Low80 Ų8086.2 Ų86.235%0.34843%0.433SS..  trans-74.695.2-175-167-175.9-173.4-175.30110S121 H122 E124 E191S121-K189 WeakPolarHBondContact O-CD 3.48Å; H122-K189 PolarHBondContact O-N 3.22Å; E124-K189 HydrophobicContact CB-CB 4.46Å; K189-E191 VanDerWaalsContact C-N 3.31Å; K189-E191 VanDerWaalsContact CE-O 3.24Å; K189-E191 WeakPolarHBondContact CE-O 3.27Å
190T62.5Low66Low135 Ų13590.6 Ų90.683%0.82845%0.453SS*.  trans-70.2-28.9-178.3-48.70000112.4K188K188-T190 PolarHBondContact O-N 3.47Å; K188-T190 PolarHBondContact O-OG1 3.49Å
191E46.5Very low63.8Low125 Ų12589.1 Ų89.158%0.58446%0.457SS*.  trans-100.695.2177.8-167.7-177.3149.700111K189 Q193K189-E191 VanDerWaalsContact C-N 3.31Å; K189-E191 VanDerWaalsContact CE-O 3.24Å; K189-E191 WeakPolarHBondContact CE-O 3.27Å; E191-Q193 VanDerWaalsContact C-N 3.32Å; E191-Q193 HydrophobicContact CG-CG 4.47Å; E191-Q193 PolarHBondContact O-N 3.26Å; E191-Q193 VanDerWaalsContact O-N 3.15Å; E191-Q193 WeakPolarHBondContact OE1-CG 3.45Å; E191-Q193 PolarHBondContact OE1-NE2 2.89Å
192I51.4Low61.2Low131 Ų13187.2 Ų87.267%0.67246%0.456SS*.  trans-78.191.3158.7-51.1176.3000106.3P194I192-P194 WeakPolarHBondContact O-CD 3.4Å; I192-P194 VanDerWaalsContact O-N 3.1Å
193Q40Very low59Low105 Ų10593.9 Ų93.949%0.49149%0.486SS..  trans-47.5118.8161.3-89.4-74.2-28.600107.7E191E191-Q193 VanDerWaalsContact C-N 3.32Å; E191-Q193 HydrophobicContact CG-CG 4.47Å; E191-Q193 PolarHBondContact O-N 3.26Å; E191-Q193 VanDerWaalsContact O-N 3.15Å; E191-Q193 WeakPolarHBondContact OE1-CG 3.45Å; E191-Q193 PolarHBondContact OE1-NE2 2.89Å
194P44.9Very low56.5Low78 Ų7896.7 Ų96.751%0.50652%0.515SS..  trans-60.7146.7-179.826.5-33.8000108.4I192 Y196I192-P194 WeakPolarHBondContact O-CD 3.4Å; I192-P194 VanDerWaalsContact O-N 3.1Å; P194-Y196 VanDerWaalsContact C-N 3.3Å; P194-Y196 HydrophobicContact CG-CE2 4.41Å; P194-Y196 PolarHBondContact O-N 3.14Å
195P43.5Very low54.2Low122 Ų122102.7 Ų102.779%0.79254%0.544SS*.  trans-63.598.2172.227.2-32.8000108L197P195-L197 PolarHBondContact O-N 2.95Å
196Y39.6Very low52Low187 Ų187105.3 Ų105.373%0.73357%0.571SS**  trans-57.9109.1172.4-90.3-90.6000107.7P194P194-Y196 VanDerWaalsContact C-N 3.3Å; P194-Y196 HydrophobicContact CG-CE2 4.41Å; P194-Y196 PolarHBondContact O-N 3.14Å
197L36.7Very low49.9Very low150 Ų150111.4 Ų111.479%0.78560%0.603SS**  trans-55.2135.9157.7-64.7173000106.6P195 D199P195-L197 PolarHBondContact O-N 2.95Å; L197-D199 PolarHBondContact O-N 3.1Å; L197-D199 VanDerWaalsContact O-N 3.09Å
198P45.2Very low47.7Very low103 Ų103113.1 Ų113.167%0.66962%0.619SS**  trans-57.2121.8170.125.1-32.5000107.4L200P198-L200 VanDerWaalsContact C-N 3.27Å; P198-L200 PolarHBondContact O-N 3.42Å
199D37.3Very low45.3Very low93 Ų93113.9 Ų113.950%0.49764%0.635SS.*  trans-75.784.5-174.3-177.67.3000110.4L197 T201 N202L197-D199 PolarHBondContact O-N 3.1Å; L197-D199 VanDerWaalsContact O-N 3.09Å; D199-T201 VanDerWaalsContact CG-OG1 3.31Å; D199-T201 PolarHBondContact O-N 2.94Å; D199-T201 WeakPolarHBondContact OD1-CB 3.18Å; D199-T201 WeakPolarHBondContact OD1-CG2 3.38Å; D199-T201 PolarHBondContact OD1-N 3.37Å; D199-T201 VanDerWaalsContact OD1-N 3.14Å; D199-T201 PolarHBondContact OD1-OG1 2.82Å; D199-T201 PolarHBondContact OD2-OG1 3.47Å; D199-N202 PolarHBondContact O-N 3.35Å; D199-N202 PolarHBondContact OD2-ND2 3.34Å
200L45.9Very low43.5Very low118 Ų118118.2 Ų118.262%0.61866%0.657SS**Hα-helixtrans-60-14-179.5-68.4169.2000112.9P198 N202 E203 A204P198-L200 VanDerWaalsContact C-N 3.27Å; P198-L200 PolarHBondContact O-N 3.42Å; L200-N202 VanDerWaalsContact C-N 3.33Å; L200-N202 PolarHBondContact O-N 2.99Å; L200-E203 PolarHBondContact O-N 2.8Å; L200-A204 WeakPolarHBondContact O-CB 3.47Å; L200-A204 PolarHBondContact O-N 3.35Å
201T44.1Very low42.4Very low81 Ų81118.3 Ų118.350%0.49765%0.652SS.*Hα-helixtrans-64.6-38179.967.40000112.2D199 L205D199-T201 VanDerWaalsContact CG-OG1 3.31Å; D199-T201 PolarHBondContact O-N 2.94Å; D199-T201 WeakPolarHBondContact OD1-CB 3.18Å; D199-T201 WeakPolarHBondContact OD1-CG2 3.38Å; D199-T201 PolarHBondContact OD1-N 3.37Å; D199-T201 VanDerWaalsContact OD1-N 3.14Å; D199-T201 PolarHBondContact OD1-OG1 2.82Å; D199-T201 PolarHBondContact OD2-OG1 3.47Å; T201-L205 PolarHBondContact O-N 2.95Å
202N41.5Very low42.3Very low98 Ų98119.9 Ų119.952%0.52466%0.663SS.*Hα-helixtrans-75.5-30.4-179.1-66.4-67000112.7D199 L200 G206D199-N202 PolarHBondContact O-N 3.35Å; D199-N202 PolarHBondContact OD2-ND2 3.34Å; L200-N202 VanDerWaalsContact C-N 3.33Å; L200-N202 PolarHBondContact O-N 2.99Å; N202-G206 PolarHBondContact O-N 3.27Å
203E45.8Very low41.5Very low146 Ų146119.2 Ų119.268%0.68267%0.67SS**Hα-helixtrans-86-31175.4-64-161.7176.200112.9L200L200-E203 PolarHBondContact O-N 2.8Å
204A41.2Very low41.4Very low83 Ų83117.2 Ų117.269%0.68668%0.678SS**Hα-helixtrans-74.2-23.8177.900000113.8L200L200-A204 WeakPolarHBondContact O-CB 3.47Å; L200-A204 PolarHBondContact O-N 3.35Å
205L42.8Very low41.1Very low131 Ų131125.6 Ų125.669%0.68670%0.699SS**Hα-helixtrans-99.5-13.2176.5-66177.8000114.1T201 I207T201-L205 PolarHBondContact O-N 2.95Å; L205-I207 HydrophobicContact CB-CD1 4.45Å; L205-I207 PolarHBondContact O-N 3.41Å
206G40.1Very low40.9Very low65 Ų65124.7 Ų124.767%0.6770%0.696SS**  trans68.711.6171.300000116.3N202 N208N202-G206 PolarHBondContact O-N 3.27Å; G206-N208 PolarHBondContact O-N 3.32Å
207I44.5Very low41.1Very low128 Ų128123 Ų12366%0.65671%0.705SS**  trans-94.587.8-177.7-56.5160.6000109.6L205L205-I207 HydrophobicContact CB-CD1 4.45Å; L205-I207 PolarHBondContact O-N 3.41Å
208N39.2Very low41.2Very low129 Ų129119.4 Ų119.469%0.6970%0.703SS**  trans-13982.6163.3-156.5-20.9000111.5G206 Q210G206-N208 PolarHBondContact O-N 3.32Å; N208-Q210 PolarHBondContact O-N 2.87Å
209S37.9Very low41Very low103 Ų103120 Ų12072%0.7271%0.71SS**  trans-74.481.4-170.7-600000113.4N211S209-N211 PolarHBondContact O-N 2.96Å
210Q42.4Very low41.2Very low172 Ų172121.8 Ų121.880%0.80473%0.727SS**  trans-74.968166.7-62.2-170.18.900111N208 I212N208-Q210 PolarHBondContact O-N 2.87Å; Q210-I212 PolarHBondContact O-N 3.11Å
211N39.3Very low40.8Very low136 Ų136120 Ų12073%0.72774%0.736SS**  trans-78.4115.6-176.5-169.6-1.8000112.2S209 S213S209-N211 PolarHBondContact O-N 2.96Å; N211-S213 PolarHBondContact O-N 2.66Å
212I44.8Very low40.6Very low159 Ų159121.6 Ų121.682%0.81575%0.751SS**  trans-80.9100.5179.9-59.9165000109.7Q210Q210-I212 PolarHBondContact O-N 3.11Å
213S35.9Very low40.5Very low116 Ų116121.8 Ų121.881%0.81176%0.76SS**  trans-92.6106.8170.8-70.60000110.6N211N211-S213 PolarHBondContact O-N 2.66Å
214G37Very low40.3Very low64 Ų64120.6 Ų120.666%0.6677%0.768SS**  trans-170.110.7-170.200000123.2
215R39.5Very low40.1Very low253 Ų253120.5 Ų120.596%0.95578%0.775SS**  trans-170164.8156.1-110.8157.2-166.1-105.6-0.9114.1
216S39.5Very low39.6Very low104 Ų104118 Ų11873%0.72778%0.782SS**  trans-142.8166.1-158.453.30000114.1
217V43.2Very low39.3Very low151 Ų151120.4 Ų120.492%0.91579%0.788SS**  trans75.7126.4169.4-168.60000116.3
218G37.6Very low38.8Very low74 Ų74122.7 Ų122.776%0.76379%0.793SS**  trans151.843.7168.200000119.1
219S41.5Very low38.4Very low116 Ų116124.7 Ų124.781%0.81180%0.799SS**  trans-77.4175173.9-46.80000112.8
220P42.9Very low38.1Very low131 Ų131124.7 Ų124.785%0.85180%0.804SS**  -127.5177.1-50.137-21.7000112.1
221G37Very low37.6Very low79 Ų79120 Ų12081%0.81480%0.802SS**  trans-177.211317300000116.7
222S39.8Very low37.4Very low115 Ų115118.9 Ų118.980%0.80481%0.805SS**  trans-64.2155.3-168.6-50.90000119.7
223S39.8Very low36.7Very low103 Ų103119 Ų11972%0.7280%0.802SS**  trans77.6119.3135.954.50000124
224S40.2Very low36.5Very low120 Ų120123.5 Ų123.584%0.83980%0.802SS**  trans68.4137.1135.5630000121.8
225G36.9Very low36.3Very low81 Ų81128.8 Ų128.884%0.83581%0.809SS**  trans178.9-24.5160.800000123.6
226G32.5Very low35.9Very low80 Ų80124.8 Ų124.883%0.82580%0.803SS**  trans77.1168.9172.400000119.3
227S35.2Very low35.9Very low114 Ų114123.5 Ų123.580%0.79779%0.794SS**  trans-14150.3167.4-74.70000120.2
228F32.5Very low35.6Very low177 Ų177122.1 Ų122.178%0.77679%0.791SS**  cis-160.9169.315.546.6-82.9000114
229E31Very low35.7Very low171 Ų171124.1 Ų124.180%0.79978%0.784SS**  trans63.2128.7160.6-68.4-163.3116.600124.1
230A32.1Very low35.7Very low102 Ų102121.2 Ų121.284%0.84376%0.764SS**  trans49.784.1136.500000120
231G31.8Very low35.6Very low74 Ų74119.3 Ų119.376%0.76375%0.752SS**  trans-146.327.9-175.100000119.9
232S34.3Very low35.7Very low112 Ų112121.7 Ų121.778%0.78375%0.745SS**  trans61.7164.4162.5-157.10000121
233Q31.7Very low36.2Very low162 Ų162119.7 Ų119.776%0.75773%0.725SS**  trans74.3126.9157.3-111.7175.5-76.200122.1
234R31.2Very low36.4Very low211 Ų211122.5 Ų122.580%0.79672%0.719SS**  trans78.874.2157.9-56-179.1-68.2-172.6-1.2118.2
235H31.5Very low36.4Very low174 Ų174120.3 Ų120.381%0.80670%0.698SS**  trans-99.9113.8146.5-127.8-102.1000109.8
236M31.8Very low36.8Very low170 Ų170121.8 Ų121.884%0.83769%0.686SS**  trans-75.9130.4166.1-69.4-78.6126.500107.5
237S40.5Very low37.2Very low77 Ų77126 Ų12654%0.53868%0.682SS.*  trans-149.8125.2-178.7-66.70000112.3N239S237-N239 PolarHBondContact O-N 2.68Å
238S37Very low37.3Very low122 Ų122124.2 Ų124.285%0.85367%0.669SS**  trans-76.896.2-173.132.20000111.7S240S238-S240 PolarHBondContact O-N 2.91Å; S238-S240 VanDerWaalsContact O-N 3.1Å
239N38.6Very low37.6Very low115 Ų115122.8 Ų122.862%0.61567%0.67SS**  trans-83.878.5-177.3-69.2-38000112.8S237 R244S237-N239 PolarHBondContact O-N 2.68Å; N239-R244 PolarHBondContact OD1-NH2 3.33Å
240S40.9Very low37.6Very low55 Ų55118 Ų11839%0.38567%0.666SS.*  trans-89.4128.3157.262.70000109.6S238 L242 I243S238-S240 PolarHBondContact O-N 2.91Å; S238-S240 VanDerWaalsContact O-N 3.1Å; S240-L242 VanDerWaalsContact C-N 3.27Å; S240-L242 PolarHBondContact O-N 2.97Å; S240-I243 PolarHBondContact O-N 2.89Å; S240-I243 VanDerWaalsContact OG-CG1 3.22Å; S240-I243 WeakPolarHBondContact OG-CG1 3.28Å
241P42.3Very low37.8Very low92 Ų92118 Ų11860%0.59766%0.659SS**Hα-helixtrans-59.4-36.2-178.8-27.635.9000113.7I243 R244 L245P241-I243 PolarHBondContact O-N 2.86Å; P241-R244 PolarHBondContact O-N 3.25Å; P241-L245 PolarHBondContact O-N 3.44Å
242L37.6Very low37.9Very low129 Ų129122.8 Ų122.868%0.67567%0.668SS**Hα-helixtrans-55-44.3180-102.1164.2000113.7S240 R244 L245 L246S240-L242 VanDerWaalsContact C-N 3.27Å; S240-L242 PolarHBondContact O-N 2.97Å; L242-R244 PolarHBondContact O-N 3.22Å; L242-L245 PolarHBondContact O-N 3.49Å; L242-L246 WeakPolarHBondContact O-CG 3.47Å; L242-L246 PolarHBondContact O-N 3.21Å; L242-L246 VanDerWaalsContact O-N 3.08Å
243I50.4Low38Very low73 Ų73121 Ų12137%0.37466%0.66SS.*Hα-helixtrans-69.7-22.5-176.4-65.9-67.8000112.3S240 P241S240-I243 PolarHBondContact O-N 2.89Å; S240-I243 VanDerWaalsContact OG-CG1 3.22Å; S240-I243 WeakPolarHBondContact OG-CG1 3.28Å; P241-I243 PolarHBondContact O-N 2.86Å
244R44.5Very low38.2Very low162 Ų162119 Ų11961%0.61166%0.655SS**Hα-helixtrans-75.2-45.7172.8-61.4-174.2-178.2-174.20.4111.1N239 P241 L242 L246 K247 S248N239-R244 PolarHBondContact OD1-NH2 3.33Å; P241-R244 PolarHBondContact O-N 3.25Å; L242-R244 PolarHBondContact O-N 3.22Å; R244-L246 VanDerWaalsContact C-N 3.3Å; R244-L246 PolarHBondContact O-N 3.4Å; R244-K247 PolarHBondContact O-N 3.32Å; R244-K247 VanDerWaalsContact O-N 3.07Å; R244-S248 PolarHBondContact O-N 2.93Å
245L40.7Very low38.7Very low74 Ų74116.7 Ų116.739%0.38766%0.664SS.*Hα-helixtrans-64.5-33.9-179.9-133.176.3000112.6P241 L242 K247 S248P241-L245 PolarHBondContact O-N 3.44Å; L242-L245 PolarHBondContact O-N 3.49Å; L245-K247 PolarHBondContact O-N 3.3Å; L245-S248 PolarHBondContact O-OG 2.99Å; L245-S248 VanDerWaalsContact O-OG 3.06Å
246L44.9Very low39.2Very low112 Ų112112.2 Ų112.259%0.58665%0.653SS**THydrogen-bonded Turntrans-70.2-13.2174.9-72.4165.4000113.8L242 R244L242-L246 WeakPolarHBondContact O-CG 3.47Å; L242-L246 PolarHBondContact O-N 3.21Å; L242-L246 VanDerWaalsContact O-N 3.08Å; R244-L246 VanDerWaalsContact C-N 3.3Å; R244-L246 PolarHBondContact O-N 3.4Å
247K40.9Very low39.7Very low169 Ų169108.2 Ų108.274%0.73564%0.641SS**THydrogen-bonded Turntrans-108.2-6.6-178.2-75.3-178.5173.7179.80114.8R244 L245R244-K247 PolarHBondContact O-N 3.32Å; R244-K247 VanDerWaalsContact O-N 3.07Å; L245-K247 PolarHBondContact O-N 3.3Å
248S38Very low39.9Very low76 Ų76109.6 Ų109.653%0.53164%0.635SS.*SBendtrans-85.3-12.9174.147.80000114.1R244 L245 G250R244-S248 PolarHBondContact O-N 2.93Å; L245-S248 PolarHBondContact O-OG 2.99Å; L245-S248 VanDerWaalsContact O-OG 3.06Å; S248-G250 VanDerWaalsContact C-N 3.28Å; S248-G250 PolarHBondContact O-N 3.02Å
249N37.8Very low40.2Very low147 Ų147105.3 Ų105.379%0.78661%0.606SS**  trans-82.568.5179.2-66.9-6.6000110.8
250G32.1Very low40.5Very low71 Ų71104.8 Ų104.873%0.73260%0.604SS**  trans-16226.7-168.300000117.5S248S248-G250 VanDerWaalsContact C-N 3.28Å; S248-G250 PolarHBondContact O-N 3.02Å
251S36.3Very low41Very low100 Ų100104 Ų10470%0.69960%0.595SS**SBendtrans-162.2134.1167.1560000111.6A253S251-A253 PolarHBondContact O-N 2.99Å
252D32.2Very low41.5Very low175 Ų175104.2 Ų104.294%0.93660%0.597SS**  trans-75.399.3-176.8-51.6-93.7000112.3
253A36.5Very low42.3Very low76 Ų76100.2 Ų100.263%0.62858%0.579SS**  trans-152.9138.2171.500000113S251S251-A253 PolarHBondContact O-N 2.99Å
254D36.2Very low42.4Very low120 Ų12096.9 Ų96.964%0.64256%0.562SS**  trans53.369.4152.5-53.5-23.7000119.3S256D254-S256 PolarHBondContact O-N 3.24Å
255T41.9Very low42.8Very low161 Ų16192 Ų9299%0.98854%0.544SS*.THydrogen-bonded Turntrans-58.68167.6-27.90000115.3
256S43Very low43.5Very low81 Ų8192.2 Ų92.257%0.56656%0.557SS**THydrogen-bonded Turntrans-110.8-30.5-173.250.90000114.4D254 W258 A259D254-S256 PolarHBondContact O-N 3.24Å; S256-W258 PolarHBondContact O-N 3Å; S256-A259 PolarHBondContact O-N 3.35Å
257S41.2Very low43.8Very low86 Ų8688.7 Ų88.760%0.60154%0.54SS*.G310 helixtrans-69-25-163.161.50000115.7A259S257-A259 VanDerWaalsContact C-N 3.32Å; S257-A259 PolarHBondContact O-N 3.44Å
258W45.1Very low44.3Very low106 Ų10682.2 Ų82.240%0.40251%0.513SS..G310 helixtrans-75.8-16.7-178.1-163.266.5000114S256 D260 V264 L297S256-W258 PolarHBondContact O-N 3Å; W258-D260 VanDerWaalsContact C-N 3.32Å; W258-V264 HydrophobicContact CD2-CG2 4.24Å; W258-V264 HydrophobicContact CH2-CG1 4.16Å; W258-V264 HydrophobicContact CH2-CG2 4.15Å; W258-V264 HydrophobicContact CZ2-CG1 4.47Å; W258-V264 HydrophobicContact CZ2-CG2 3.64Å; W258-V264 HydrophobicContact CZ3-CG1 4.31Å; W258-L297 HydrophobicContact CZ3-CB 4.49Å
259A43.1Very low44.9Very low31 Ų3180.8 Ų80.826%0.25651%0.511SS..G310 helixtrans-75.9-19.2178.800000113.5S256 S257 A276S256-A259 PolarHBondContact O-N 3.35Å; S257-A259 VanDerWaalsContact C-N 3.32Å; S257-A259 PolarHBondContact O-N 3.44Å; A259-A276 HydrophobicContact CB-CB 4.39Å
260D44.8Very low45.7Very low104 Ų10475.6 Ų75.656%0.55648%0.482SS*.SBendtrans-91.5-12.5-177.8-86.4-47.7000114.7W258 P262 R265W258-D260 VanDerWaalsContact C-N 3.32Å; D260-P262 WeakPolarHBondContact O-CD 3.32Å; D260-P262 VanDerWaalsContact O-N 3.15Å; D260-R265 PolarHBondContact O-NH1 3Å; D260-R265 IonicContact OD1-CZ 3.89Å; D260-R265 IonicContact OD1-NH1 3.5Å; D260-R265 PolarHBondContact OD1-NH1 2.94Å; D260-R265 IonicContact OD1-NH2 3.77Å
261D51.2Low46.3Very low39 Ų3983.9 Ų83.921%0.20949%0.491CS..  trans-60.6118.3-178.7-168-40.5000110.5S263 V264 R265D261-S263 PolarHBondContact O-N 2.95Å; D261-S263 VanDerWaalsContact O-N 3.07Å; D261-S263 WeakPolarHBondContact OD1-CA 3.42Å; D261-S263 WeakPolarHBondContact OD1-CB 3.44Å; D261-S263 PolarHBondContact OD1-N 3.36Å; D261-S263 PolarHBondContact OD1-OG 2.93Å; D261-V264 HydrophobicContact CB-CG2 4.12Å; D261-V264 PolarHBondContact O-N 3.48Å; D261-R265 PolarHBondContact O-N 3.23Å
262P53.7Low47.1Very low97 Ų9780.4 Ų80.463%0.6347%0.472SS*.Hα-helixtrans-62.9-16.9-17926.9-35.2000113D260 A266D260-P262 WeakPolarHBondContact O-CD 3.32Å; D260-P262 VanDerWaalsContact O-N 3.15Å; P262-A266 VanDerWaalsContact O-CB 3.3Å; P262-A266 WeakPolarHBondContact O-CB 3.35Å; P262-A266 PolarHBondContact O-N 3.41Å
263S53.1Low48.1Very low44 Ų4476.6 Ų76.631%0.30846%0.459SS..Hα-helixtrans-72.6-44.7175.8-400000111.9D261 R265 A266 V267D261-S263 PolarHBondContact O-N 2.95Å; D261-S263 VanDerWaalsContact O-N 3.07Å; D261-S263 WeakPolarHBondContact OD1-CA 3.42Å; D261-S263 WeakPolarHBondContact OD1-CB 3.44Å; D261-S263 PolarHBondContact OD1-N 3.36Å; D261-S263 PolarHBondContact OD1-OG 2.93Å; S263-R265 VanDerWaalsContact C-N 3.33Å; S263-A266 PolarHBondContact O-N 3.44Å; S263-V267 WeakPolarHBondContact O-CG2 3.47Å; S263-V267 PolarHBondContact O-N 2.87Å
264V53.8Low49Very low3 Ų376.3 Ų76.32%0.01845%0.449CS..Hα-helixtrans-63.3-44.6175.2-178.80000109.6W258 D261 A266 V267 L268 H323W258-V264 HydrophobicContact CD2-CG2 4.24Å; W258-V264 HydrophobicContact CH2-CG1 4.16Å; W258-V264 HydrophobicContact CH2-CG2 4.15Å; W258-V264 HydrophobicContact CZ2-CG1 4.47Å; W258-V264 HydrophobicContact CZ2-CG2 3.64Å; W258-V264 HydrophobicContact CZ3-CG1 4.31Å; D261-V264 HydrophobicContact CB-CG2 4.12Å; D261-V264 PolarHBondContact O-N 3.48Å; V264-A266 VanDerWaalsContact C-N 3.34Å; V264-A266 PolarHBondContact O-N 2.97Å; V264-V267 PolarHBondContact O-N 2.95Å; V264-L268 HydrophobicContact CG1-CD1 3.92Å; V264-L268 WeakPolarHBondContact O-CG 3.38Å; V264-L268 PolarHBondContact O-N 2.92Å; V264-H323 VanDerWaalsContact CG2-NE2 3.29Å; V264-H323 WeakPolarHBondContact CG2-NE2 3.49Å
265R51.6Low50Low59 Ų5970.9 Ų70.922%0.22342%0.42CS..Hα-helixtrans-55.3-44.7172.3-77.1173.2155.6154.6-0.2112.7D260 D261 S263 G269 I270 G272 V275D260-R265 PolarHBondContact O-NH1 3Å; D260-R265 IonicContact OD1-CZ 3.89Å; D260-R265 IonicContact OD1-NH1 3.5Å; D260-R265 PolarHBondContact OD1-NH1 2.94Å; D260-R265 IonicContact OD1-NH2 3.77Å; D261-R265 PolarHBondContact O-N 3.23Å; S263-R265 VanDerWaalsContact C-N 3.33Å; R265-G269 CarbonylContact O-C 3.48Å; R265-G269 WeakPolarHBondContact O-CA 3.46Å; R265-G269 PolarHBondContact O-N 3.37Å; R265-I270 VanDerWaalsContact CB-O 3.31Å; R265-I270 WeakPolarHBondContact CB-O 3.24Å; R265-I270 WeakPolarHBondContact CG-O 3.48Å; R265-I270 PolarHBondContact O-N 3.42Å; R265-I270 VanDerWaalsContact O-N 3.15Å; R265-G272 PolarHBondContact NE-O 3.29Å; R265-G272 PolarHBondContact NH2-O 3.3Å; R265-V275 HydrophobicContact CG-CG2 3.67Å
266A56.2Low50.8Low80 Ų8064.8 Ų64.866%0.66139%0.386SS*.Hα-helixtrans-69.2-35.9177.700000113.3P262 S263 V264P262-A266 VanDerWaalsContact O-CB 3.3Å; P262-A266 WeakPolarHBondContact O-CB 3.35Å; P262-A266 PolarHBondContact O-N 3.41Å; S263-A266 PolarHBondContact O-N 3.44Å; V264-A266 VanDerWaalsContact C-N 3.34Å; V264-A266 PolarHBondContact O-N 2.97Å
267V51.3Low51.4Low38 Ų3865.1 Ų65.123%0.2338%0.382CS..Hα-helixtrans-71.8-34178.2165.40000112.6S263 V264 A319 L320S263-V267 WeakPolarHBondContact O-CG2 3.47Å; S263-V267 PolarHBondContact O-N 2.87Å; V264-V267 PolarHBondContact O-N 2.95Å; V267-A319 HydrophobicContact CG1-CB 3.58Å; V267-A319 HydrophobicContact CG2-CB 4.26Å; V267-L320 HydrophobicContact CG1-CG 4.38Å
268L50.9Low52.4Low32 Ų3263.2 Ų63.217%0.16837%0.366CS..Hα-helixtrans-90.6-11177-63.6176.2000113.6V264 I270 V275 L297 L320V264-L268 HydrophobicContact CG1-CD1 3.92Å; V264-L268 WeakPolarHBondContact O-CG 3.38Å; V264-L268 PolarHBondContact O-N 2.92Å; L268-I270 HydrophobicContact CB-CD1 3.98Å; L268-I270 HydrophobicContact CB-CG1 4.08Å; L268-I270 HydrophobicContact CD1-CD1 4.41Å; L268-I270 PolarHBondContact O-N 2.98Å; L268-V275 HydrophobicContact CD1-CG1 4.47Å; L268-L297 HydrophobicContact CD1-CD2 3.85Å; L268-L297 HydrophobicContact CD2-CD2 4.05Å; L268-L320 HydrophobicContact CD2-CD1 4.39Å; L268-L320 HydrophobicContact CD2-CD2 4.28Å
269G51.4Low53.4Low47 Ų4759 Ų5949%0.48536%0.355SS..THydrogen-bonded Turntrans73.51.4-174.200000115R265R265-G269 CarbonylContact O-C 3.48Å; R265-G269 WeakPolarHBondContact O-CA 3.46Å; R265-G269 PolarHBondContact O-N 3.37Å
270I54.2Low54.6Low37 Ų3763.8 Ų63.819%0.1937%0.371CS..  trans-90.4120.3-173.1-56168.5000110.1R265 L268 V275 V278R265-I270 VanDerWaalsContact CB-O 3.31Å; R265-I270 WeakPolarHBondContact CB-O 3.24Å; R265-I270 WeakPolarHBondContact CG-O 3.48Å; R265-I270 PolarHBondContact O-N 3.42Å; R265-I270 VanDerWaalsContact O-N 3.15Å; L268-I270 HydrophobicContact CB-CD1 3.98Å; L268-I270 HydrophobicContact CB-CG1 4.08Å; L268-I270 HydrophobicContact CD1-CD1 4.41Å; L268-I270 PolarHBondContact O-N 2.98Å; I270-V275 HydrophobicContact CB-CG2 4.06Å; I270-V275 HydrophobicContact CG2-CB 4.49Å; I270-V275 HydrophobicContact CG2-CG2 3.65Å; I270-V278 HydrophobicContact CD1-CB 3.9Å; I270-V278 HydrophobicContact CD1-CG1 3.69Å; I270-V278 HydrophobicContact CD1-CG2 4.2Å
271R44.1Very low56Low245 Ų24564.2 Ų64.293%0.92537%0.372SS*.  trans-110.4114.8166-79.9-173164.3-160.6-4.7110.4
272G52.9Low57Low28 Ų2863.1 Ų63.129%0.28937%0.366SS..SBendtrans154.3-178.8177.800000112R265 V275R265-G272 PolarHBondContact NE-O 3.29Å; R265-G272 PolarHBondContact NH2-O 3.3Å; G272-V275 WeakPolarHBondContact O-CG2 3.48Å
273S53.2Low57.9Low95 Ų9560 Ų6066%0.66434%0.344SS*.THydrogen-bonded Turntrans-66.2-28.7165.943.10000112.2V275 A276S273-V275 PolarHBondContact O-N 3.25Å; S273-A276 PolarHBondContact O-N 3.04Å
274V57Low58.8Low70 Ų7063.8 Ų63.842%0.42436%0.357SS..THydrogen-bonded Turntrans-57.4-5.3-176.6-143.60000115.3A276 D277 V278V274-A276 VanDerWaalsContact C-N 3.29Å; V274-A276 PolarHBondContact O-N 2.89Å; V274-D277 WeakPolarHBondContact CA-OD2 3.28Å; V274-D277 HydrophobicContact CG1-CB 4.09Å; V274-D277 PolarHBondContact O-N 3.26Å; V274-V278 HydrophobicContact CG1-CG2 4.26Å; V274-V278 WeakPolarHBondContact O-CB 3.14Å; V274-V278 WeakPolarHBondContact O-CG2 3.47Å; V274-V278 PolarHBondContact O-N 3.06Å
275V56.5Low59.6Low5 Ų565.8 Ų65.83%0.0337%0.365CS..Hα-helixtrans-60-42172.5-176.50000110.6R265 L268 I270 G272 S273 A279R265-V275 HydrophobicContact CG-CG2 3.67Å; L268-V275 HydrophobicContact CD1-CG1 4.47Å; I270-V275 HydrophobicContact CB-CG2 4.06Å; I270-V275 HydrophobicContact CG2-CB 4.49Å; I270-V275 HydrophobicContact CG2-CG2 3.65Å; G272-V275 WeakPolarHBondContact O-CG2 3.48Å; S273-V275 PolarHBondContact O-N 3.25Å; V275-A279 VanDerWaalsContact O-CB 3.22Å; V275-A279 WeakPolarHBondContact O-CB 3.32Å; V275-A279 PolarHBondContact O-N 3.08Å
276A58.2Low60.4Low34 Ų3463 Ų6328%0.28135%0.354SS..Hα-helixtrans-64.6-49.2177.200000110.5A259 S273 V274 V278 A279 H280A259-A276 HydrophobicContact CB-CB 4.39Å; S273-A276 PolarHBondContact O-N 3.04Å; V274-A276 VanDerWaalsContact C-N 3.29Å; V274-A276 PolarHBondContact O-N 2.89Å; A276-V278 PolarHBondContact O-N 2.98Å; A276-A279 PolarHBondContact O-N 3.04Å; A276-H280 PolarHBondContact O-CD2 3.48Å; A276-H280 PolarHBondContact O-N 3.4Å
277D54.9Low61.1Low87 Ų8762.4 Ų62.447%0.46534%0.337SS..Hα-helixtrans-61.4-45.1-179.4-52.3-46.8000111.9V274 H280 I281V274-D277 WeakPolarHBondContact CA-OD2 3.28Å; V274-D277 HydrophobicContact CG1-CB 4.09Å; V274-D277 PolarHBondContact O-N 3.26Å; D277-H280 PolarHBondContact O-N 3.05Å; D277-I281 WeakPolarHBondContact O-CB 3.45Å; D277-I281 WeakPolarHBondContact O-CD1 3.39Å; D277-I281 VanDerWaalsContact O-CG1 3.24Å; D277-I281 WeakPolarHBondContact O-CG1 3.31Å; D277-I281 PolarHBondContact O-N 2.99Å
278V63.5Low62Low46 Ų4667.9 Ų67.928%0.27936%0.36SS..Hα-helixtrans-66.9-37.4176.4173.70000111.6I270 V274 A276 I281 L282I270-V278 HydrophobicContact CD1-CB 3.9Å; I270-V278 HydrophobicContact CD1-CG1 3.69Å; I270-V278 HydrophobicContact CD1-CG2 4.2Å; V274-V278 HydrophobicContact CG1-CG2 4.26Å; V274-V278 WeakPolarHBondContact O-CB 3.14Å; V274-V278 WeakPolarHBondContact O-CG2 3.47Å; V274-V278 PolarHBondContact O-N 3.06Å; A276-V278 PolarHBondContact O-N 2.98Å; V278-I281 PolarHBondContact O-N 3.2Å; V278-L282 HydrophobicContact CG1-CD1 3.91Å; V278-L282 HydrophobicContact CG1-CG 4.33Å; V278-L282 WeakPolarHBondContact O-CB 3.41Å; V278-L282 VanDerWaalsContact O-CG 3.27Å; V278-L282 WeakPolarHBondContact O-CG 3.22Å; V278-L282 PolarHBondContact O-N 3.25Å
279A65Low62.6Low19 Ų1968.2 Ų68.216%0.15736%0.364CS..Hα-helixtrans-64.9-41.9173.500000111.7V275 A276 L282 L283V275-A279 VanDerWaalsContact O-CB 3.22Å; V275-A279 WeakPolarHBondContact O-CB 3.32Å; V275-A279 PolarHBondContact O-N 3.08Å; A276-A279 PolarHBondContact O-N 3.04Å; A279-L282 PolarHBondContact O-N 2.85Å; A279-L283 WeakPolarHBondContact O-CB 3.36Å; A279-L283 WeakPolarHBondContact O-CD1 3.47Å; A279-L283 WeakPolarHBondContact O-CG 3.5Å; A279-L283 PolarHBondContact O-N 3.37Å
280H68.6Low63.4Low130 Ų13067.4 Ų67.460%0.60235%0.347SS*.Hα-helixtrans-62.2-46.3173.5-81.6-67.7000111.8A276 D277 L282 L283 E284A276-H280 PolarHBondContact O-CD2 3.48Å; A276-H280 PolarHBondContact O-N 3.4Å; D277-H280 PolarHBondContact O-N 3.05Å; H280-L282 PolarHBondContact O-N 3.46Å; H280-L283 PolarHBondContact O-N 3.28Å; H280-E284 VanDerWaalsContact O-CB 3.28Å; H280-E284 WeakPolarHBondContact O-CB 3.21Å; H280-E284 PolarHBondContact O-N 2.89Å
281I74.2Confident63.9Low113 Ų11368.7 Ų68.758%0.57937%0.369SS*.Hα-helixtrans-59.6-46.1176-69.4162.1000110.8D277 V278 L283 Y285D277-I281 WeakPolarHBondContact O-CB 3.45Å; D277-I281 WeakPolarHBondContact O-CD1 3.39Å; D277-I281 VanDerWaalsContact O-CG1 3.24Å; D277-I281 WeakPolarHBondContact O-CG1 3.31Å; D277-I281 PolarHBondContact O-N 2.99Å; V278-I281 PolarHBondContact O-N 3.2Å; I281-L283 VanDerWaalsContact C-N 3.31Å; I281-L283 PolarHBondContact O-N 2.84Å; I281-Y285 WeakPolarHBondContact O-CB 3.46Å; I281-Y285 PolarHBondContact O-N 3.32Å
282L71.8Confident65.1Low16 Ų1660.7 Ų60.78%0.08434%0.344CS..Hα-helixtrans-65-32.2177.8-73.2169.6000112.9L51 L55 V278 A279 H280 G286 L297 L300L51-L282 HydrophobicContact CD2-CD2 4.08Å; L55-L282 HydrophobicContact CD2-CD1 4.12Å; L55-L282 HydrophobicContact CD2-CD2 4.22Å; L55-L282 HydrophobicContact CG-CD2 4.38Å; V278-L282 HydrophobicContact CG1-CD1 3.91Å; V278-L282 HydrophobicContact CG1-CG 4.33Å; V278-L282 WeakPolarHBondContact O-CB 3.41Å; V278-L282 VanDerWaalsContact O-CG 3.27Å; V278-L282 WeakPolarHBondContact O-CG 3.22Å; V278-L282 PolarHBondContact O-N 3.25Å; A279-L282 PolarHBondContact O-N 2.85Å; H280-L282 PolarHBondContact O-N 3.46Å; L282-G286 PolarHBondContact O-N 3.31Å; L282-L297 HydrophobicContact CB-CD1 4.09Å; L282-L297 HydrophobicContact CD1-CD1 4.08Å; L282-L300 VanDerWaalsContact O-CD2 3.31Å; L282-L300 WeakPolarHBondContact O-CD2 3.33Å
283L73.4Confident65.8Low31 Ų3165.6 Ų65.616%0.16236%0.359CS..Hα-helixtrans-78.7-44.7178.3-72.6168.4000112.7A279 H280 I281 Y285 G286 H287 F294 L300A279-L283 WeakPolarHBondContact O-CB 3.36Å; A279-L283 WeakPolarHBondContact O-CD1 3.47Å; A279-L283 WeakPolarHBondContact O-CG 3.5Å; A279-L283 PolarHBondContact O-N 3.37Å; H280-L283 PolarHBondContact O-N 3.28Å; I281-L283 VanDerWaalsContact C-N 3.31Å; I281-L283 PolarHBondContact O-N 2.84Å; L283-Y285 VanDerWaalsContact C-N 3.29Å; L283-Y285 PolarHBondContact O-N 3.48Å; L283-G286 PolarHBondContact O-N 3.2Å; L283-H287 WeakPolarHBondContact O-CB 3.47Å; L283-H287 PolarHBondContact O-N 3.32Å; L283-F294 HydrophobicContact CD2-CB 3.62Å; L283-L300 HydrophobicContact CD2-CB 4.23Å
284E72.7Confident66.8Low125 Ų12561.4 Ų61.458%0.58433%0.329SS*.Hα-helixtrans-60.1-43.2174.2-173.362.9-164.700110.4H280 H287 Q288H280-E284 VanDerWaalsContact O-CB 3.28Å; H280-E284 WeakPolarHBondContact O-CB 3.21Å; H280-E284 PolarHBondContact O-N 2.89Å; E284-H287 WeakPolarHBondContact O-CB 3.4Å; E284-H287 PolarHBondContact O-N 3.34Å; E284-Q288 PolarHBondContact O-N 3.16Å
285Y69.5Low67.4Low45 Ų4566.9 Ų66.918%0.17635%0.347CS..Hα-helixtrans-71.9-36.8176.8-164.1-96.7000112.6D47 K50 L51 I281 L283 H287 Q288 V289D47-Y285 WeakPolarHBondContact CA-OH 3.37Å; D47-Y285 HydrophobicContact CB-CE1 4.2Å; D47-Y285 WeakPolarHBondContact CB-OH 3.47Å; D47-Y285 VanDerWaalsContact CG-OH 3.29Å; D47-Y285 WeakPolarHBondContact O-CE1 3.12Å; D47-Y285 PolarHBondContact O-OH 3.11Å; D47-Y285 PolarHBondContact OD1-OH 3.18Å; K50-Y285 HydrophobicContact CB-CE1 4.42Å; K50-Y285 VanDerWaalsContact CB-OH 3.31Å; K50-Y285 WeakPolarHBondContact CB-OH 3.45Å; K50-Y285 WeakPolarHBondContact CD-OH 3.35Å; L51-Y285 HydrophobicContact CB-CD1 4.38Å; L51-Y285 HydrophobicContact CB-CE1 4.09Å; L51-Y285 HydrophobicContact CD1-CD1 3.81Å; L51-Y285 HydrophobicContact CD1-CE1 4.13Å; L51-Y285 HydrophobicContact CG-CD1 3.71Å; L51-Y285 HydrophobicContact CG-CE1 3.93Å; I281-Y285 WeakPolarHBondContact O-CB 3.46Å; I281-Y285 PolarHBondContact O-N 3.32Å; L283-Y285 VanDerWaalsContact C-N 3.29Å; L283-Y285 PolarHBondContact O-N 3.48Å; Y285-H287 VanDerWaalsContact C-N 3.28Å; Y285-H287 PolarHBondContact O-N 3.39Å; Y285-Q288 PolarHBondContact O-N 3.47Å; Y285-V289 HydrophobicContact CD1-CG2 4.01Å; Y285-V289 HydrophobicContact CE1-CG2 3.77Å; Y285-V289 WeakPolarHBondContact O-CB 3.17Å; Y285-V289 VanDerWaalsContact O-CG2 3.32Å; Y285-V289 WeakPolarHBondContact O-CG2 3.42Å; Y285-V289 PolarHBondContact O-N 2.94Å
286G69.7Low68.3Low0 Ų068.3 Ų68.30%036%0.357CS..Hα-helixtrans-59.4-39168.700000112.4L282 L283 V289 F290L282-G286 PolarHBondContact O-N 3.31Å; L283-G286 PolarHBondContact O-N 3.2Å; G286-V289 PolarHBondContact O-N 2.7Å; G286-F290 WeakPolarHBondContact O-CB 3.4Å; G286-F290 VanDerWaalsContact O-CD2 3.27Å; G286-F290 WeakPolarHBondContact O-CD2 3.41Å; G286-F290 PolarHBondContact O-N 2.83Å
287H70.5Confident68.9Low67 Ų6767 Ų6731%0.3135%0.346SS..Hα-helixtrans-66.1-42.5174.4179.7-150.2000111.7L283 E284 Y285 V289 G291 I292L283-H287 WeakPolarHBondContact O-CB 3.47Å; L283-H287 PolarHBondContact O-N 3.32Å; E284-H287 WeakPolarHBondContact O-CB 3.4Å; E284-H287 PolarHBondContact O-N 3.34Å; Y285-H287 VanDerWaalsContact C-N 3.28Å; Y285-H287 PolarHBondContact O-N 3.39Å; H287-V289 PolarHBondContact O-N 3.09Å; H287-G291 VanDerWaalsContact O-CA 3.28Å; H287-G291 WeakPolarHBondContact O-CA 3.07Å; H287-G291 PolarHBondContact O-N 2.96Å; H287-I292 WeakPolarHBondContact CA-O 3.5Å
288Q69.5Low69.8Low153 Ų15364.6 Ų64.672%0.71533%0.331SS*.Hα-helixtrans-63.5-37.3175.1-167.5172.931.900113.2E284 Y285E284-Q288 PolarHBondContact O-N 3.16Å; Y285-Q288 PolarHBondContact O-N 3.47Å
289V63.6Low70.3Confident39 Ų3966.4 Ų66.424%0.23634%0.337CS..Hα-helixtrans-82.2-40.1-177.9173.20000113.4D47 V48 L51 Y285 G286 H287D47-V289 HydrophobicContact CB-CG2 3.53Å; V48-V289 HydrophobicContact CG2-CG1 3.91Å; L51-V289 HydrophobicContact CD1-CG2 4.47Å; Y285-V289 HydrophobicContact CD1-CG2 4.01Å; Y285-V289 HydrophobicContact CE1-CG2 3.77Å; Y285-V289 WeakPolarHBondContact O-CB 3.17Å; Y285-V289 VanDerWaalsContact O-CG2 3.32Å; Y285-V289 WeakPolarHBondContact O-CG2 3.42Å; Y285-V289 PolarHBondContact O-N 2.94Å; G286-V289 PolarHBondContact O-N 2.7Å; H287-V289 PolarHBondContact O-N 3.09Å
290F69.1Low70.8Confident30 Ų3065.6 Ų65.613%0.13233%0.33CS..Hα-helixtrans-103.6-7.4-173.8-58.7-61.6000114.1L51 G286 I292 F294 L300 H303 L304 Y309L51-F290 HydrophobicContact CD1-CE2 4.26Å; G286-F290 WeakPolarHBondContact O-CB 3.4Å; G286-F290 VanDerWaalsContact O-CD2 3.27Å; G286-F290 WeakPolarHBondContact O-CD2 3.41Å; G286-F290 PolarHBondContact O-N 2.83Å; F290-I292 WeakPolarHBondContact O-CG1 3.44Å; F290-I292 PolarHBondContact O-N 3.38Å; F290-F294 HydrophobicContact CB-CE2 4.13Å; F290-F294 HydrophobicContact CB-CZ 4.1Å; F290-F294 AromaticContact CD2-CE2 3.87Å; F290-F294 HydrophobicContact CD2-CE2 3.87Å; F290-F294 HydrophobicContact CD2-CZ 4.06Å; F290-F294 HydrophobicContact CG-CE2 4.43Å; F290-F294 HydrophobicContact CG-CZ 4.38Å; F290-L300 HydrophobicContact CD2-CD1 4.11Å; F290-L300 HydrophobicContact CE2-CD1 3.98Å; F290-H303 AromaticContact CD1-NE2 3.93Å; F290-H303 AromaticContact CG-NE2 3.86Å; F290-L304 HydrophobicContact CE2-CD2 3.81Å; F290-L304 HydrophobicContact CZ-CD2 3.58Å; F290-Y309 AromaticContact CD1-CE2 3.94Å; F290-Y309 HydrophobicContact CD1-CE2 3.94Å; F290-Y309 HydrophobicContact CE1-CD1 4.37Å; F290-Y309 AromaticContact CE1-CD2 3.74Å; F290-Y309 HydrophobicContact CE1-CD2 3.74Å; F290-Y309 HydrophobicContact CE1-CE1 4.07Å; F290-Y309 AromaticContact CE1-CE2 3.37Å; F290-Y309 HydrophobicContact CE1-CE2 3.37Å; F290-Y309 HydrophobicContact CE1-CG 4.23Å; F290-Y309 AromaticContact CE1-CZ 3.57Å; F290-Y309 HydrophobicContact CZ-CD2 4.04Å; F290-Y309 HydrophobicContact CZ-CE2 4.14Å; F290-Y309 HydrophobicContact CZ-CG 4.38Å
291G64.9Low70.9Confident64 Ų6459.6 Ų59.666%0.6630%0.302SS*.SBendtrans65.217.6-175.400000113.8H287H287-G291 VanDerWaalsContact O-CA 3.28Å; H287-G291 WeakPolarHBondContact O-CA 3.07Å; H287-G291 PolarHBondContact O-N 2.96Å
292I69.1Low70.7Confident78 Ų7858.2 Ų58.240%0.429%0.293SS..  trans-128123.7-172.6-68163.4000108.6H287 F290 F294 H303H287-I292 WeakPolarHBondContact CA-O 3.5Å; F290-I292 WeakPolarHBondContact O-CG1 3.44Å; F290-I292 PolarHBondContact O-N 3.38Å; I292-F294 HydrophobicContact CB-CE1 4.37Å; I292-F294 HydrophobicContact CB-CE2 4.21Å; I292-F294 HydrophobicContact CB-CZ 3.87Å; I292-F294 HydrophobicContact CG2-CD1 4.27Å; I292-F294 HydrophobicContact CG2-CE1 3.74Å; I292-F294 HydrophobicContact CG2-CE2 4.3Å; I292-F294 HydrophobicContact CG2-CZ 3.76Å; I292-F294 WeakPolarHBondContact O-CD2 3.44Å; I292-F294 WeakPolarHBondContact O-CE2 3.39Å; I292-F294 PolarHBondContact O-N 3.06Å; I292-H303 VanDerWaalsContact CD1-CE1 3.47Å; I292-H303 WeakPolarHBondContact CD1-CE1 3.46Å
293H67.6Low70.5Confident131 Ų13159 Ų5961%0.60630%0.297SS*.  trans-79111.2177.1-173.6-64.4000110.9
294F73.5Confident70.4Confident7 Ų758.2 Ų58.23%0.03129%0.292CS..  trans-85.3133.4178.6-59.9-75.7000111.3L283 F290 I292 S296 Q299 L300 H303L283-F294 HydrophobicContact CD2-CB 3.62Å; F290-F294 HydrophobicContact CB-CE2 4.13Å; F290-F294 HydrophobicContact CB-CZ 4.1Å; F290-F294 AromaticContact CD2-CE2 3.87Å; F290-F294 HydrophobicContact CD2-CE2 3.87Å; F290-F294 HydrophobicContact CD2-CZ 4.06Å; F290-F294 HydrophobicContact CG-CE2 4.43Å; F290-F294 HydrophobicContact CG-CZ 4.38Å; I292-F294 HydrophobicContact CB-CE1 4.37Å; I292-F294 HydrophobicContact CB-CE2 4.21Å; I292-F294 HydrophobicContact CB-CZ 3.87Å; I292-F294 HydrophobicContact CG2-CD1 4.27Å; I292-F294 HydrophobicContact CG2-CE1 3.74Å; I292-F294 HydrophobicContact CG2-CE2 4.3Å; I292-F294 HydrophobicContact CG2-CZ 3.76Å; I292-F294 WeakPolarHBondContact O-CD2 3.44Å; I292-F294 WeakPolarHBondContact O-CE2 3.39Å; I292-F294 PolarHBondContact O-N 3.06Å; F294-S296 VanDerWaalsContact C-N 3.35Å; F294-Q299 HydrophobicContact CD1-CG 4.41Å; F294-L300 HydrophobicContact CB-CB 4.26Å; F294-L300 HydrophobicContact CD1-CB 4.41Å; F294-L300 HydrophobicContact CD2-CB 4.34Å; F294-L300 HydrophobicContact CD2-CD1 3.76Å; F294-L300 HydrophobicContact CE2-CD1 3.69Å; F294-L300 HydrophobicContact CG-CB 4.06Å; F294-L300 HydrophobicContact CG-CD1 4.25Å; F294-L300 HydrophobicContact CZ-CD1 4.13Å; F294-H303 HydrophobicContact CD1-CB 4.32Å; F294-H303 HydrophobicContact CE1-CB 3.45Å; F294-H303 VanDerWaalsContact CE1-CB 3.45Å; F294-H303 AromaticContact CE1-CG 3.46Å; F294-H303 VanDerWaalsContact CE1-CG 3.46Å; F294-H303 AromaticContact CE1-ND1 3.64Å; F294-H303 HydrophobicContact CZ-CB 3.96Å; F294-H303 AromaticContact CZ-CD2 3.72Å; F294-H303 AromaticContact CZ-CG 3.6Å; F294-H303 AromaticContact CZ-ND1 3.85Å
295K70.7Confident70.3Confident184 Ų18453.8 Ų53.880%0.827%0.274SS*.SBendtrans-82.4-11-179.4-63.6-171.4176.2-1720114.3
296S74.2Confident70.3Confident35 Ų3555.1 Ų55.125%0.24529%0.294CS..SBendtrans-161.5152.1-178.4172.10000110F294 F298 Q299 L300F294-S296 VanDerWaalsContact C-N 3.35Å; S296-F298 PolarHBondContact O-N 3.43Å; S296-F298 PolarHBondContact OG-N 3.44Å; S296-Q299 WeakPolarHBondContact O-CA 3.43Å; S296-Q299 WeakPolarHBondContact O-CB 3.27Å; S296-Q299 PolarHBondContact O-N 2.83Å; S296-L300 PolarHBondContact O-N 3.26Å; S296-L300 VanDerWaalsContact O-N 3.09Å
297L72.1Confident70.1Confident8 Ų859.1 Ų59.14%0.04232%0.316CS..Hα-helixtrans-58.7-28172.9-17361.2000112W258 L268 L282 L300 A301 L320W258-L297 HydrophobicContact CZ3-CB 4.49Å; L268-L297 HydrophobicContact CD1-CD2 3.85Å; L268-L297 HydrophobicContact CD2-CD2 4.05Å; L282-L297 HydrophobicContact CB-CD1 4.09Å; L282-L297 HydrophobicContact CD1-CD1 4.08Å; L297-L300 HydrophobicContact CD1-CD2 4.14Å; L297-A301 WeakPolarHBondContact O-CB 3.1Å; L297-A301 PolarHBondContact O-N 2.97Å; L297-L320 HydrophobicContact CD2-CD1 4.14Å; L297-L320 HydrophobicContact CD2-CD2 3.89Å; L297-L320 HydrophobicContact CG-CD1 3.92Å; L297-L320 HydrophobicContact CG-CD2 4.11Å
298F73.8Confident69.6Low36 Ų3664 Ų6416%0.15833%0.331CS..Hα-helixtrans-62.9-42.3168.5167.7-121.3000112.3S296 A301 Q302 I321 A324S296-F298 PolarHBondContact O-N 3.43Å; S296-F298 PolarHBondContact OG-N 3.44Å; F298-A301 PolarHBondContact O-N 2.89Å; F298-Q302 HydrophobicContact CD2-CG 3.99Å; F298-Q302 HydrophobicContact CE1-CG 4.25Å; F298-Q302 HydrophobicContact CE2-CG 3.55Å; F298-Q302 HydrophobicContact CZ-CG 3.72Å; F298-Q302 WeakPolarHBondContact O-CG 3.15Å; F298-Q302 PolarHBondContact O-N 3.23Å; F298-I321 HydrophobicContact CD2-CG1 4.27Å; F298-I321 HydrophobicContact CE2-CB 4.32Å; F298-I321 HydrophobicContact CE2-CG1 4.14Å; F298-I321 HydrophobicContact CE2-CG2 4.38Å; F298-A324 HydrophobicContact CB-CB 4.15Å; F298-A324 HydrophobicContact CD1-CB 3.78Å; F298-A324 HydrophobicContact CD2-CB 3.31Å; F298-A324 HydrophobicContact CE1-CB 3.91Å; F298-A324 HydrophobicContact CE2-CB 3.47Å; F298-A324 VanDerWaalsContact CE2-CB 3.47Å; F298-A324 HydrophobicContact CG-CB 3.46Å; F298-A324 VanDerWaalsContact CG-CB 3.46Å; F298-A324 HydrophobicContact CZ-CB 3.75Å
299Q72.8Confident69.3Low83 Ų8361.8 Ų61.839%0.38832%0.317SS..Hα-helixtrans-71.7-32.7-179.3-159.1174.517.800111.9F294 S296 H303F294-Q299 HydrophobicContact CD1-CG 4.41Å; S296-Q299 WeakPolarHBondContact O-CA 3.43Å; S296-Q299 WeakPolarHBondContact O-CB 3.27Å; S296-Q299 PolarHBondContact O-N 2.83Å; Q299-H303 WeakPolarHBondContact O-CB 3.34Å; Q299-H303 PolarHBondContact O-N 3.17Å
300L75.9Confident69.2Low3 Ų360.7 Ų60.72%0.01631%0.311CS..Hα-helixtrans-63.4-46.5167.1178.761.1000111.1L282 L283 F290 F294 S296 L297 Q302 H303 L304L282-L300 VanDerWaalsContact O-CD2 3.31Å; L282-L300 WeakPolarHBondContact O-CD2 3.33Å; L283-L300 HydrophobicContact CD2-CB 4.23Å; F290-L300 HydrophobicContact CD2-CD1 4.11Å; F290-L300 HydrophobicContact CE2-CD1 3.98Å; F294-L300 HydrophobicContact CB-CB 4.26Å; F294-L300 HydrophobicContact CD1-CB 4.41Å; F294-L300 HydrophobicContact CD2-CB 4.34Å; F294-L300 HydrophobicContact CD2-CD1 3.76Å; F294-L300 HydrophobicContact CE2-CD1 3.69Å; F294-L300 HydrophobicContact CG-CB 4.06Å; F294-L300 HydrophobicContact CG-CD1 4.25Å; F294-L300 HydrophobicContact CZ-CD1 4.13Å; S296-L300 PolarHBondContact O-N 3.26Å; S296-L300 VanDerWaalsContact O-N 3.09Å; L297-L300 HydrophobicContact CD1-CD2 4.14Å; L300-Q302 PolarHBondContact O-N 3.36Å; L300-H303 PolarHBondContact O-N 3.49Å; L300-L304 HydrophobicContact CD1-CD1 4.26Å; L300-L304 HydrophobicContact CD1-CG 4.25Å; L300-L304 HydrophobicContact CG-CD1 4.02Å; L300-L304 HydrophobicContact CG-CG 4.46Å; L300-L304 WeakPolarHBondContact O-CB 3.42Å; L300-L304 VanDerWaalsContact O-CG 3.29Å; L300-L304 WeakPolarHBondContact O-CG 3.46Å; L300-L304 PolarHBondContact O-N 3.19Å
301A70.2Confident68.6Low3 Ų364.6 Ų64.63%0.02533%0.333CS..Hα-helixtrans-61.7-41.6176.700000112.7L297 F298 L304 V305 L320 I321L297-A301 WeakPolarHBondContact O-CB 3.1Å; L297-A301 PolarHBondContact O-N 2.97Å; F298-A301 PolarHBondContact O-N 2.89Å; A301-L304 PolarHBondContact O-N 3.4Å; A301-V305 WeakPolarHBondContact O-CG2 3.41Å; A301-V305 PolarHBondContact O-N 3.31Å; A301-L320 HydrophobicContact CB-CB 3.94Å; A301-L320 HydrophobicContact CB-CD1 4.15Å; A301-I321 HydrophobicContact CB-CD1 4.49Å; A301-I321 HydrophobicContact CB-CG1 4.15Å
302Q70.6Confident68.2Low84 Ų8466.1 Ų66.139%0.39333%0.334SS..Hα-helixtrans-58.5-47.1171.7-75.7-175.7-54.400111.5F298 L300 V305 A306 I321F298-Q302 HydrophobicContact CD2-CG 3.99Å; F298-Q302 HydrophobicContact CE1-CG 4.25Å; F298-Q302 HydrophobicContact CE2-CG 3.55Å; F298-Q302 HydrophobicContact CZ-CG 3.72Å; F298-Q302 WeakPolarHBondContact O-CG 3.15Å; F298-Q302 PolarHBondContact O-N 3.23Å; L300-Q302 PolarHBondContact O-N 3.36Å; Q302-V305 PolarHBondContact O-N 3.25Å; Q302-A306 WeakPolarHBondContact O-CB 3.35Å; Q302-A306 PolarHBondContact O-N 2.94Å; Q302-I321 HydrophobicContact CG-CG1 4.42Å
303H68.1Low67.3Low34 Ų3471 Ų7116%0.15735%0.347CS..Hα-helixtrans-62.7-44.1178.8-172.695.3000111.9F290 I292 F294 Q299 L300 V305 A306 N307F290-H303 AromaticContact CD1-NE2 3.93Å; F290-H303 AromaticContact CG-NE2 3.86Å; I292-H303 VanDerWaalsContact CD1-CE1 3.47Å; I292-H303 WeakPolarHBondContact CD1-CE1 3.46Å; F294-H303 HydrophobicContact CD1-CB 4.32Å; F294-H303 HydrophobicContact CE1-CB 3.45Å; F294-H303 VanDerWaalsContact CE1-CB 3.45Å; F294-H303 AromaticContact CE1-CG 3.46Å; F294-H303 VanDerWaalsContact CE1-CG 3.46Å; F294-H303 AromaticContact CE1-ND1 3.64Å; F294-H303 HydrophobicContact CZ-CB 3.96Å; F294-H303 AromaticContact CZ-CD2 3.72Å; F294-H303 AromaticContact CZ-CG 3.6Å; F294-H303 AromaticContact CZ-ND1 3.85Å; Q299-H303 WeakPolarHBondContact O-CB 3.34Å; Q299-H303 PolarHBondContact O-N 3.17Å; L300-H303 PolarHBondContact O-N 3.49Å; H303-V305 VanDerWaalsContact C-N 3.33Å; H303-V305 PolarHBondContact O-N 3.22Å; H303-A306 PolarHBondContact O-N 2.83Å; H303-N307 PolarHBondContact CE1-ND2 3.28Å; H303-N307 PolarHBondContact NE2-ND2 2.9Å; H303-N307 WeakPolarHBondContact O-CB 3.46Å; H303-N307 PolarHBondContact O-N 3.4Å
304L71.5Confident66.9Low13 Ų1365.9 Ų65.97%0.06833%0.326CS..Hα-helixtrans-60.9-37.4176.6-74.7171.1000113.1F290 L300 A301 Y309 V310F290-L304 HydrophobicContact CE2-CD2 3.81Å; F290-L304 HydrophobicContact CZ-CD2 3.58Å; L300-L304 HydrophobicContact CD1-CD1 4.26Å; L300-L304 HydrophobicContact CD1-CG 4.25Å; L300-L304 HydrophobicContact CG-CD1 4.02Å; L300-L304 HydrophobicContact CG-CG 4.46Å; L300-L304 WeakPolarHBondContact O-CB 3.42Å; L300-L304 VanDerWaalsContact O-CG 3.29Å; L300-L304 WeakPolarHBondContact O-CG 3.46Å; L300-L304 PolarHBondContact O-N 3.19Å; A301-L304 PolarHBondContact O-N 3.4Å; L304-Y309 HydrophobicContact CD2-CD2 4.34Å; L304-Y309 HydrophobicContact CD2-CG 4.34Å; L304-Y309 PolarHBondContact O-N 3.26Å; L304-Y309 VanDerWaalsContact O-N 3.1Å; L304-V310 HydrophobicContact CB-CB 4.29Å; L304-V310 HydrophobicContact CB-CG2 3.79Å; L304-V310 HydrophobicContact CD1-CG2 4.42Å; L304-V310 HydrophobicContact CD2-CG2 4.47Å; L304-V310 HydrophobicContact CG-CG2 4.47Å; L304-V310 PolarHBondContact O-N 3.28Å
305V70.3Confident66.3Low33 Ų3373.8 Ų73.820%0.236%0.36CS..Hα-helixtrans-80.8-41.6177.5170.10000112.1A301 Q302 H303 R308 V310 A317 F318 I321A301-V305 WeakPolarHBondContact O-CG2 3.41Å; A301-V305 PolarHBondContact O-N 3.31Å; Q302-V305 PolarHBondContact O-N 3.25Å; H303-V305 VanDerWaalsContact C-N 3.33Å; H303-V305 PolarHBondContact O-N 3.22Å; V305-R308 PolarHBondContact O-N 3.44Å; V305-V310 HydrophobicContact CG2-CB 4.17Å; V305-V310 HydrophobicContact CG2-CG1 4.06Å; V305-A317 HydrophobicContact CG2-CB 4.18Å; V305-F318 HydrophobicContact CG1-CE1 4.06Å; V305-F318 HydrophobicContact CG1-CZ 3.75Å; V305-F318 HydrophobicContact CG2-CE1 4.44Å; V305-F318 HydrophobicContact CG2-CE2 3.95Å; V305-F318 HydrophobicContact CG2-CZ 3.92Å; V305-I321 HydrophobicContact CB-CD1 3.92Å; V305-I321 HydrophobicContact CG1-CD1 4.33Å; V305-I321 HydrophobicContact CG2-CD1 3.64Å
306A69.4Low65.9Low73 Ų7368.3 Ų68.360%0.60334%0.338SS*.Hα-helixtrans-62.2-46.2178.400000111.7Q302 H303 R308Q302-A306 WeakPolarHBondContact O-CB 3.35Å; Q302-A306 PolarHBondContact O-N 2.94Å; H303-A306 PolarHBondContact O-N 2.83Å; A306-R308 PolarHBondContact O-N 3Å
307N64.1Low65.3Low83 Ų8367 Ų6744%0.44433%0.329SS..THydrogen-bonded Turntrans-86.417.8179.9-67.5-21.9000113.6H303 Y309H303-N307 PolarHBondContact CE1-ND2 3.28Å; H303-N307 PolarHBondContact NE2-ND2 2.9Å; H303-N307 WeakPolarHBondContact O-CB 3.46Å; H303-N307 PolarHBondContact O-N 3.4Å; N307-Y309 HydrophobicContact CB-CD2 3.63Å; N307-Y309 HydrophobicContact CB-CE2 3.45Å; N307-Y309 VanDerWaalsContact CB-CE2 3.45Å; N307-Y309 PolarHBondContact O-N 3.35Å
308R61.3Low64.8Low170 Ų17070.6 Ų70.664%0.64234%0.344SS*.SBendtrans59.64.4174.5-56.7-63.6-167.4-178.71.4116.9T117 V305 A306 V310T117-R308 HydrophobicContact CG2-CB 3.93Å; T117-R308 HydrophobicContact CG2-CG 4.01Å; V305-R308 PolarHBondContact O-N 3.44Å; A306-R308 PolarHBondContact O-N 3Å; R308-V310 PolarHBondContact O-N 2.85Å; R308-V310 VanDerWaalsContact O-N 3.14Å
309Y63.2Low64.4Low106 Ų10670.4 Ų70.442%0.41635%0.35SS..SBendtrans-54.9-30.3171.5-63.3-65.8000112.2F290 L304 N307F290-Y309 AromaticContact CD1-CE2 3.94Å; F290-Y309 HydrophobicContact CD1-CE2 3.94Å; F290-Y309 HydrophobicContact CE1-CD1 4.37Å; F290-Y309 AromaticContact CE1-CD2 3.74Å; F290-Y309 HydrophobicContact CE1-CD2 3.74Å; F290-Y309 HydrophobicContact CE1-CE1 4.07Å; F290-Y309 AromaticContact CE1-CE2 3.37Å; F290-Y309 HydrophobicContact CE1-CE2 3.37Å; F290-Y309 HydrophobicContact CE1-CG 4.23Å; F290-Y309 AromaticContact CE1-CZ 3.57Å; F290-Y309 HydrophobicContact CZ-CD2 4.04Å; F290-Y309 HydrophobicContact CZ-CE2 4.14Å; F290-Y309 HydrophobicContact CZ-CG 4.38Å; L304-Y309 HydrophobicContact CD2-CD2 4.34Å; L304-Y309 HydrophobicContact CD2-CG 4.34Å; L304-Y309 PolarHBondContact O-N 3.26Å; L304-Y309 VanDerWaalsContact O-N 3.1Å; N307-Y309 HydrophobicContact CB-CD2 3.63Å; N307-Y309 HydrophobicContact CB-CE2 3.45Å; N307-Y309 VanDerWaalsContact CB-CE2 3.45Å; N307-Y309 PolarHBondContact O-N 3.35Å
310V61.8Low64Low17 Ų1767 Ų6710%0.10333%0.334CS..SBendtrans-114122.8177.11700000112L304 V305 R308 A317 F318L304-V310 HydrophobicContact CB-CB 4.29Å; L304-V310 HydrophobicContact CB-CG2 3.79Å; L304-V310 HydrophobicContact CD1-CG2 4.42Å; L304-V310 HydrophobicContact CD2-CG2 4.47Å; L304-V310 HydrophobicContact CG-CG2 4.47Å; L304-V310 PolarHBondContact O-N 3.28Å; V305-V310 HydrophobicContact CG2-CB 4.17Å; V305-V310 HydrophobicContact CG2-CG1 4.06Å; R308-V310 PolarHBondContact O-N 2.85Å; R308-V310 VanDerWaalsContact O-N 3.14Å; V310-A317 HydrophobicContact CB-CB 4.48Å; V310-A317 HydrophobicContact CG1-CB 3.74Å; V310-A317 HydrophobicContact CG2-CB 4.46Å; V310-F318 HydrophobicContact CG1-CE2 4.27Å
311N55.2Low63.5Low111 Ų11168.8 Ų68.859%0.59434%0.343SS*.  trans-83.8161.4176.1-162.4-1.3000111.7R313 S314N311-R313 PolarHBondContact O-N 3.48Å; N311-S314 PolarHBondContact O-N 2.97Å; N311-S314 VanDerWaalsContact O-N 3.08Å
312S56.2Low62.9Low97 Ų9771.1 Ų71.168%0.67836%0.362SS*.THydrogen-bonded Turntrans-59.4-2.4-173.959.70000116.5
313R49.9Very low62.2Low179 Ų17968.5 Ų68.568%0.67535%0.35SS*.THydrogen-bonded Turntrans-94.4-9.6176.7-68.1-178.9170.3177.1-5.4114.2L91 N311 K315L91-R313 VanDerWaalsContact CD1-NH1 3.33Å; N311-R313 PolarHBondContact O-N 3.48Å; R313-K315 PolarHBondContact O-N 3.12Å; R313-K315 VanDerWaalsContact O-N 3.08Å
314S60.9Low61.8Low24 Ų2468 Ų6817%0.16835%0.351CS..  trans-77.495.9-177.9-176.40000112N311 H316 A317 F318N311-S314 PolarHBondContact O-N 2.97Å; N311-S314 VanDerWaalsContact O-N 3.08Å; S314-H316 VanDerWaalsContact C-N 3.28Å; S314-H316 PolarHBondContact O-N 3.33Å; S314-A317 PolarHBondContact O-N 3.05Å; S314-F318 WeakPolarHBondContact O-CD2 3.24Å; S314-F318 PolarHBondContact O-N 3.21Å
315K59.6Low61Low173 Ų17369.9 Ų69.975%0.75237%0.369SS*.Hα-helixtrans-52.5-44.7178.7-74.1-173.5175.4-1780112.4R313 A319R313-K315 PolarHBondContact O-N 3.12Å; R313-K315 VanDerWaalsContact O-N 3.08Å; K315-A319 WeakPolarHBondContact O-CB 3.11Å; K315-A319 PolarHBondContact O-N 3Å
316H62Low60Low70 Ų7074.1 Ų74.132%0.32439%0.39SS..Hα-helixtrans-65.9-46.5-173.9-55.7131.5000113.1L55 S314 A319 L320L55-H316 PolarHBondContact O-CE1 3.35Å; L55-H316 PolarHBondContact O-ND1 2.9Å; S314-H316 VanDerWaalsContact C-N 3.28Å; S314-H316 PolarHBondContact O-N 3.33Å; H316-A319 PolarHBondContact O-N 3.31Å; H316-L320 WeakPolarHBondContact O-CB 3.44Å; H316-L320 VanDerWaalsContact O-CG 3.29Å; H316-L320 WeakPolarHBondContact O-CG 3.36Å; H316-L320 PolarHBondContact O-N 3.3Å
317A62.9Low58.8Low8 Ų874.8 Ų74.87%0.06639%0.389CS..Hα-helixtrans-66.2-43.2178.500000112.3V305 V310 S314 L320 I321V305-A317 HydrophobicContact CG2-CB 4.18Å; V310-A317 HydrophobicContact CB-CB 4.48Å; V310-A317 HydrophobicContact CG1-CB 3.74Å; V310-A317 HydrophobicContact CG2-CB 4.46Å; S314-A317 PolarHBondContact O-N 3.05Å; A317-L320 PolarHBondContact O-N 2.78Å; A317-I321 VanDerWaalsContact O-CG1 3.31Å; A317-I321 WeakPolarHBondContact O-CG1 3.38Å; A317-I321 PolarHBondContact O-N 3.04Å
318F61.8Low57.9Low83 Ų8374.8 Ų74.836%0.36439%0.393SS..Hα-helixtrans-72-28.8178.1-77.7-83.1000112.8V305 V310 S314 A322V305-F318 HydrophobicContact CG1-CE1 4.06Å; V305-F318 HydrophobicContact CG1-CZ 3.75Å; V305-F318 HydrophobicContact CG2-CE1 4.44Å; V305-F318 HydrophobicContact CG2-CE2 3.95Å; V305-F318 HydrophobicContact CG2-CZ 3.92Å; V310-F318 HydrophobicContact CG1-CE2 4.27Å; S314-F318 WeakPolarHBondContact O-CD2 3.24Å; S314-F318 PolarHBondContact O-N 3.21Å; F318-A322 WeakPolarHBondContact O-CB 3.43Å; F318-A322 PolarHBondContact O-N 3.46Å
319A64.1Low56.8Low32 Ų3271.3 Ų71.326%0.26440%0.395SS..Hα-helixtrans-71.9-41.2172.200000112.3V267 K315 H316 I321 A322 H323V267-A319 HydrophobicContact CG1-CB 3.58Å; V267-A319 HydrophobicContact CG2-CB 4.26Å; K315-A319 WeakPolarHBondContact O-CB 3.11Å; K315-A319 PolarHBondContact O-N 3Å; H316-A319 PolarHBondContact O-N 3.31Å; A319-I321 VanDerWaalsContact C-N 3.3Å; A319-I321 PolarHBondContact O-N 2.85Å; A319-A322 PolarHBondContact O-N 3.08Å; A319-H323 VanDerWaalsContact O-CB 3.28Å; A319-H323 WeakPolarHBondContact O-CB 3.35Å; A319-H323 PolarHBondContact O-N 3.45Å
320L65.2Low55.4Low10 Ų1071.3 Ų71.35%0.05241%0.41CS..Hα-helixtrans-58.9-42.1171.3-75.3164.4000111.5V267 L268 L297 A301 H316 A317 A324V267-L320 HydrophobicContact CG1-CG 4.38Å; L268-L320 HydrophobicContact CD2-CD1 4.39Å; L268-L320 HydrophobicContact CD2-CD2 4.28Å; L297-L320 HydrophobicContact CD2-CD1 4.14Å; L297-L320 HydrophobicContact CD2-CD2 3.89Å; L297-L320 HydrophobicContact CG-CD1 3.92Å; L297-L320 HydrophobicContact CG-CD2 4.11Å; A301-L320 HydrophobicContact CB-CB 3.94Å; A301-L320 HydrophobicContact CB-CD1 4.15Å; H316-L320 WeakPolarHBondContact O-CB 3.44Å; H316-L320 VanDerWaalsContact O-CG 3.29Å; H316-L320 WeakPolarHBondContact O-CG 3.36Å; H316-L320 PolarHBondContact O-N 3.3Å; A317-L320 PolarHBondContact O-N 2.78Å; L320-A324 PolarHBondContact O-N 2.99Å
321I64.8Low53.8Low42 Ų4280.9 Ų80.922%0.21545%0.451CS..Hα-helixtrans-67.4-44175.3-69.1166.1000111.6F298 A301 Q302 V305 A317 A319 H323 A324 A325F298-I321 HydrophobicContact CD2-CG1 4.27Å; F298-I321 HydrophobicContact CE2-CB 4.32Å; F298-I321 HydrophobicContact CE2-CG1 4.14Å; F298-I321 HydrophobicContact CE2-CG2 4.38Å; A301-I321 HydrophobicContact CB-CD1 4.49Å; A301-I321 HydrophobicContact CB-CG1 4.15Å; Q302-I321 HydrophobicContact CG-CG1 4.42Å; V305-I321 HydrophobicContact CB-CD1 3.92Å; V305-I321 HydrophobicContact CG1-CD1 4.33Å; V305-I321 HydrophobicContact CG2-CD1 3.64Å; A317-I321 VanDerWaalsContact O-CG1 3.31Å; A317-I321 WeakPolarHBondContact O-CG1 3.38Å; A317-I321 PolarHBondContact O-N 3.04Å; A319-I321 VanDerWaalsContact C-N 3.3Å; A319-I321 PolarHBondContact O-N 2.85Å; I321-H323 PolarHBondContact O-N 3.37Å; I321-A324 PolarHBondContact O-N 3.38Å; I321-A325 VanDerWaalsContact O-CB 3.31Å; I321-A325 WeakPolarHBondContact O-CB 3.36Å; I321-A325 PolarHBondContact O-N 3.38Å
322A57.8Low52.5Low51 Ų5180 Ų8042%0.42145%0.453SS..Hα-helixtrans-66.3-35179.500000113F318 A319 A325 N326F318-A322 WeakPolarHBondContact O-CB 3.43Å; F318-A322 PolarHBondContact O-N 3.46Å; A319-A322 PolarHBondContact O-N 3.08Å; A322-A325 PolarHBondContact O-N 3.45Å; A322-N326 PolarHBondContact O-N 3.02Å
323H56.4Low51.4Low30 Ų3079.3 Ų79.314%0.13945%0.446CS..Hα-helixtrans-70.7-41.1178.2-178.552.4000112V264 A319 I321 A325 N326V264-H323 VanDerWaalsContact CG2-NE2 3.29Å; V264-H323 WeakPolarHBondContact CG2-NE2 3.49Å; A319-H323 VanDerWaalsContact O-CB 3.28Å; A319-H323 WeakPolarHBondContact O-CB 3.35Å; A319-H323 PolarHBondContact O-N 3.45Å; I321-H323 PolarHBondContact O-N 3.37Å; H323-A325 VanDerWaalsContact C-N 3.32Å; H323-A325 PolarHBondContact O-N 3Å; H323-N326 CarbonylContact O-C 3.48Å; H323-N326 PolarHBondContact O-N 3.14Å; H323-N326 VanDerWaalsContact O-O 3.05Å
324A59Low50.8Low22 Ų2274.6 Ų74.618%0.18244%0.439CS..Hα-helixtrans-70.2-2717200000113.3F298 L320 I321F298-A324 HydrophobicContact CB-CB 4.15Å; F298-A324 HydrophobicContact CD1-CB 3.78Å; F298-A324 HydrophobicContact CD2-CB 3.31Å; F298-A324 HydrophobicContact CE1-CB 3.91Å; F298-A324 HydrophobicContact CE2-CB 3.47Å; F298-A324 VanDerWaalsContact CE2-CB 3.47Å; F298-A324 HydrophobicContact CG-CB 3.46Å; F298-A324 VanDerWaalsContact CG-CB 3.46Å; F298-A324 HydrophobicContact CZ-CB 3.75Å; L320-A324 PolarHBondContact O-N 2.99Å; I321-A324 PolarHBondContact O-N 3.38Å
325A56Low49.6Very low53 Ų5379.9 Ų79.944%0.43847%0.473SS..Hα-helixtrans-76.5-23.617400000113.7I321 A322 H323I321-A325 VanDerWaalsContact O-CB 3.31Å; I321-A325 WeakPolarHBondContact O-CB 3.36Å; I321-A325 PolarHBondContact O-N 3.38Å; A322-A325 PolarHBondContact O-N 3.45Å; H323-A325 VanDerWaalsContact C-N 3.32Å; H323-A325 PolarHBondContact O-N 3Å
326N47.4Very low48.6Very low122 Ų12276.7 Ų76.765%0.65247%0.472SS*.SBendtrans-127.780.3173.7-72.9-70.8000110.2A322 H323A322-N326 PolarHBondContact O-N 3.02Å; H323-N326 CarbonylContact O-C 3.48Å; H323-N326 PolarHBondContact O-N 3.14Å; H323-N326 VanDerWaalsContact O-O 3.05Å
327P45.3Very low47.6Very low88 Ų8876.7 Ų76.757%0.57148%0.477SS*.  trans-55.7132.6164.425.8-34.2000108.7S329P327-S329 PolarHBondContact O-N 2.97Å; P327-S329 VanDerWaalsContact O-N 3.11Å
328P44.2Very low46.4Very low82 Ų8277.4 Ų77.453%0.53248%0.483SS..  trans-60.5119.4-176.323.4-32.6000109.9S330P328-S330 PolarHBondContact O-N 2.84Å; P328-S330 VanDerWaalsContact O-N 3.08Å
329S38.7Very low45.2Very low98 Ų9879.9 Ų79.969%0.68550%0.5SS*.  trans-63.2114.7178.3550000109.7P327 F331P327-S329 PolarHBondContact O-N 2.97Å; P327-S329 VanDerWaalsContact O-N 3.11Å; S329-F331 PolarHBondContact O-N 3.12Å
330S34.3Very low44Very low105 Ų10581.2 Ų81.273%0.73451%0.511SS*.THydrogen-bonded Turntrans-38.3121.2178.854.90000113.6P328 S332P328-S330 PolarHBondContact O-N 2.84Å; P328-S330 VanDerWaalsContact O-N 3.08Å; S330-S332 PolarHBondContact O-N 3.1Å
331F28.6Very low42.8Very low219 Ų21987.8 Ų87.896%0.96154%0.541SS*.THydrogen-bonded Turntrans44.365.8159.8-69.6-89.5000116.4S329S329-F331 PolarHBondContact O-N 3.12Å
332S27Very low41.6Very low91 Ų9193.8 Ų93.864%0.63657%0.57SS**  trans-127.5114.5150.660.90000110.6S330S330-S332 PolarHBondContact O-N 3.1Å
333P34.5Very low40.9Very low83 Ų8398.1 Ų98.154%0.53959%0.586SS.*  trans-67.7158.6171.728.8-35.2000110.7A338P333-A338 HydrophobicContact CB-CB 3.89Å; P333-A338 HydrophobicContact CG-CB 3.46Å; P333-A338 VanDerWaalsContact CG-CB 3.46Å
334P35.7Very low40.4Very low81 Ų81103.2 Ų103.253%0.52661%0.609SS.*  trans-55.3137.3173.9-22.832.6000110.9S336 T337 A338P334-S336 PolarHBondContact O-N 2.75Å; P334-T337 PolarHBondContact O-N 3.04Å; P334-A338 PolarHBondContact O-N 3.15Å
335P35.5Very low39.5Very low134 Ų134111.9 Ų111.987%0.8764%0.643SS**THydrogen-bonded Turntrans-71.828.4-17731.2-37000113.8
336S39.2Very low38.5Very low106 Ų106112.8 Ų112.874%0.74166%0.657SS**THydrogen-bonded Turntrans-139.9-12.5178.6-51.10000113.7P334P334-S336 PolarHBondContact O-N 2.75Å
337T42.1Very low37.8Very low70 Ų70112.4 Ų112.443%0.42967%0.665SS.*THydrogen-bonded Turntrans-112.7-28.9175.646.10000113.4P334 L339 A340 E341P334-T337 PolarHBondContact O-N 3.04Å; T337-L339 PolarHBondContact O-N 2.78Å; T337-L339 VanDerWaalsContact O-N 3.15Å; T337-A340 WeakPolarHBondContact O-CB 3.3Å; T337-A340 PolarHBondContact O-N 2.96Å; T337-E341 PolarHBondContact O-N 2.87Å
338A36.6Very low37.3Very low23 Ų23113.9 Ų113.919%0.1967%0.672CS.*Hα-helixtrans-51.7-41.1179.200000113.9P333 P334 A340 E341 M342P333-A338 HydrophobicContact CB-CB 3.89Å; P333-A338 HydrophobicContact CG-CB 3.46Å; P333-A338 VanDerWaalsContact CG-CB 3.46Å; P334-A338 PolarHBondContact O-N 3.15Å; A338-A340 VanDerWaalsContact C-N 3.29Å; A338-A340 PolarHBondContact O-N 2.79Å; A338-E341 PolarHBondContact O-N 3.35Å; A338-M342 WeakPolarHBondContact O-CB 3.2Å; A338-M342 WeakPolarHBondContact O-CG 3.36Å; A338-M342 PolarHBondContact O-N 3.14Å
339L37.1Very low36.9Very low136 Ų136119.2 Ų119.271%0.71269%0.687SS**Hα-helixtrans-70.8-23.2-178.7-135.8171.4000112.5T337 L343T337-L339 PolarHBondContact O-N 2.78Å; T337-L339 VanDerWaalsContact O-N 3.15Å; L339-L343 HydrophobicContact CD2-CD1 4.28Å
340A39.6Very low36.6Very low60 Ų60120.6 Ų120.650%0.49670%0.696SS.*Hα-helixtrans-80.1-32.7178.100000112.6T337 A338T337-A340 WeakPolarHBondContact O-CB 3.3Å; T337-A340 PolarHBondContact O-N 2.96Å; A338-A340 VanDerWaalsContact C-N 3.29Å; A338-A340 PolarHBondContact O-N 2.79Å
341E38.9Very low36.8Very low147 Ų147119.7 Ų119.769%0.68770%0.695SS**Hα-helixtrans-94.1-33.1-176.6-66.2-175105.800113.3T337 A338 L343 Q344T337-E341 PolarHBondContact O-N 2.87Å; A338-E341 PolarHBondContact O-N 3.35Å; E341-L343 PolarHBondContact O-N 2.63Å; E341-Q344 PolarHBondContact O-N 2.86Å; E341-Q344 VanDerWaalsContact O-N 3.09Å
342M40Very low36.9Very low169 Ų169120 Ų12083%0.83370%0.696SS**THydrogen-bonded Turntrans-62-11.7174.6-77.4-178.163.500114.1A338A338-M342 WeakPolarHBondContact O-CB 3.2Å; A338-M342 WeakPolarHBondContact O-CG 3.36Å; A338-M342 PolarHBondContact O-N 3.14Å
343L43.7Very low37.3Very low142 Ų142118.7 Ų118.774%0.74370%0.698SS**THydrogen-bonded Turntrans-91.91.8176.1-86.6166.9000114.6L339 E341L339-L343 HydrophobicContact CD2-CD1 4.28Å; E341-L343 PolarHBondContact O-N 2.63Å
344Q45.2Very low37.4Very low137 Ų137124.2 Ų124.264%0.6471%0.713SS**SBendtrans-116.2-19.4-165.9-66.9-156.514.500119.9E341E341-Q344 PolarHBondContact O-N 2.86Å; E341-Q344 VanDerWaalsContact O-N 3.09Å
345K40.9Very low37.6Very low203 Ų203127 Ų12788%0.88372%0.722SS**  trans-160.9141.8173.5-92.5115.8-170175.90115
346G34.1Very low37.9Very low72 Ų72128 Ų12874%0.74272%0.715SS**  trans116.481.8167.900000114
347S33.7Very low37.6Very low115 Ų115129.7 Ų129.780%0.80472%0.716SS**  67.9126.485.3-152.90000113
348V33.1Very low37.5Very low119 Ų119135.9 Ų135.972%0.72174%0.737SS**  -159.4173.358.4-75.70000113.9
349K37.2Very low37.3Very low194 Ų194144.1 Ų144.184%0.84376%0.763SS**  trans87.289.7161.7-62.1179.3-178.4178.10120.3
350S32.3Very low37.5Very low126 Ų126144.3 Ų144.388%0.88176%0.761SS**  48.9146.1119.7-149.50000124.3
351A38Very low37.2Very low87 Ų87147.8 Ų147.872%0.71977%0.771SS**  trans90.395.3152.300000121.7
352F29.7Very low37Very low224 Ų224145.8 Ų145.898%0.98277%0.773SS**  trans68.3148.3134.4-122.3-100.7000121.6
353G35.5Very low36.7Very low65 Ų65142.5 Ų142.567%0.6777%0.767SS**  trans138.20.9139.700000125.6
354K38.1Very low36.3Very low198 Ų198141.7 Ų141.786%0.86177%0.768SS**  trans24141.2156.3-92179.1177.9176.70123
355I38.9Very low35.8Very low139 Ų139139.9 Ų139.971%0.71377%0.77SS**  trans111.3105.6137.7-75.5161000122.9
356Q41.9Very low35.4Very low155 Ų155137.4 Ų137.472%0.72477%0.766SS**  trans78.4116.5130.8-68.1-170.327.400128.6
357N34.2Very low35.2Very low142 Ų142142 Ų14276%0.75977%0.773SS**  73.5156.1119.4-68.3-25.1000125.9
358K40Very low35.1Very low200 Ų200142.7 Ų142.787%0.8778%0.778SS**  trans94.7132.3156.2-162-178.7177.9-178.30117
359R32.2Very low35.1Very low196 Ų196141.4 Ų141.474%0.7477%0.774SS**  cis-176.4153.7-20.5-138.1-173.7174.5-142.111.2111.7
360Q40.6Very low34.5Very low141 Ų141136.9 Ų136.966%0.65977%0.766SS**  trans65154158.4-68.8167.7-67.100118.3
361N34.2Very low34.5Very low133 Ų133140.2 Ų140.271%0.71176%0.764SS**  cis-163.5154.3-16.8-119.832.2000110.8
362S33.7Very low34.1Very low104 Ų104140.1 Ų140.173%0.72776%0.759SS**  trans37.1143152.153.40000122.8
363S34.9Very low34.2Very low101 Ų101138 Ų13871%0.70675%0.752SS**  cis-171.5169.22.847.50000113.2
364T34.3Very low33.7Very low125 Ų125140.4 Ų140.477%0.76776%0.757SS**  trans67.3132.3156.9430000122
365S33.6Very low33.3Very low98 Ų98136.4 Ų136.469%0.68575%0.749SS**  trans48.7122.9157.151.20000119.5
366D33.3Very low32.8Very low151 Ų151138.4 Ų138.481%0.80775%0.753SS**  cis-139.2154.22.3-73.2-48.4000111.4
367L29.9Very low32.2Very low170 Ų170136.6 Ų136.689%0.8975%0.748SS**  trans-130.297-163.7-79.1169.5000115.2
368S31Very low32Very low129 Ų129136 Ų13690%0.90274%0.741SS**  trans-142.250137.371.80000109.6
369S33.4Very low31.5Very low91 Ų91131.1 Ų131.164%0.63673%0.732SS**  trans-92.9155.1-170.5-169.60000113.3
370C26.1Very low31.4Very low100 Ų100129.7 Ų129.768%0.67673%0.731SS**  trans-51.9151.1172.3-45.30000113.6
371K30.5Very low30.9Very low195 Ų195130.8 Ų130.885%0.84874%0.736SS**  trans-164.1127.3132.9-96.4134.1-167.6172.70108.4
372S29.3Very low30.8Very low86 Ų86128.4 Ų128.460%0.60174%0.735SS**  cis61.997.227.292.50000114.3
373E32Very low30.9Very low178 Ų178128.6 Ų128.683%0.83273%0.734SS**  55.299.7115.7-155.1172.2131.400117.5
374C25.6Very low30.6Very low117 Ų117128.6 Ų128.679%0.79173%0.734SS**  trans-145104.1149.7-86.80000106.6
375T30.9Very low30.5Very low113 Ų113128 Ų12869%0.69373%0.731SS**  56.7113.98466.30000113.7
376K28Very low30.5Very low182 Ų182129.3 Ų129.379%0.79173%0.729SS**  -165.7107.7128.9-84.6-145.6176.8176.30106.9
377N28.1Very low30.5Very low116 Ų116128.5 Ų128.562%0.6273%0.725SS**  110.2141.697.6-84.736.3000107.4
378E30.8Very low31Very low130 Ų130126.6 Ų126.661%0.60772%0.72SS**  cis-144129.5-12.9-96.8151.5103.100104
379S28.7Very low31.4Very low97 Ų97126.5 Ų126.568%0.67871%0.71SS**  43.477.671.172.70000115.1
380F30.6Very low31.9Very low166 Ų166126.7 Ų126.773%0.72871%0.711SS**  trans-148.4114142.8-88.5-68000108.9
381H30.5Very low33Very low164 Ų164127.2 Ų127.276%0.75971%0.713SS**  59.4106.4107.9-81.5-105.5000113.9
382A30.7Very low33.5Very low84 Ų84124.2 Ų124.269%0.69471%0.711SS**  83.3-175.570.700000111.1
383P35.9Very low33.9Very low108 Ų108124.9 Ų124.970%0.70171%0.712SS**  -120.2-161.4-108.634.4-15.1000112.3
384S30.4Very low34.2Very low101 Ų101123.1 Ų123.171%0.70671%0.708SS**  trans77.3152.6163-49.20000113.8
385T31.9Very low35Very low113 Ų113123.6 Ų123.669%0.69371%0.707SS**  cis-162.3170.83.6-3.70000111.6
386N34Very low35.6Very low124 Ų124123.7 Ų123.766%0.66371%0.709SS**  trans76108.7146.7-65.8-11.8000121.4
387N33.4Very low35.8Very low135 Ų135126.2 Ų126.272%0.72271%0.714SS**  93.6142.4113.3-70.4-2.3000122.6
388V40.2Very low36.1Very low129 Ų129125.2 Ų125.278%0.78272%0.716SS**  trans72.8119.8149.9165.50000115.6
389D39.1Very low36.4Very low127 Ų127123.9 Ų123.968%0.67972%0.717SS**  cis-161.1159.7-0.1-140.5-47.2000114.4
390S43.5Very low36.6Very low96 Ų96126.5 Ų126.567%0.67172%0.722SS**  trans73.6152.5141.2-85.60000121.4
391P48.8Very low37.2Very low111 Ų111123.3 Ų123.372%0.72172%0.718SS**  -142.5-151.3-104.334.4-8.9000115.1
392V40.8Very low37.2Very low131 Ų131120.8 Ų120.879%0.79471%0.71SS**  trans88.7126.9159.1165.70000118.3
393T38.7Very low37.5Very low101 Ų101122.7 Ų122.762%0.6271%0.708SS**  cis-160.5168.8-34.2-29.50000109.3
394N38.7Very low37.5Very low141 Ų141126.4 Ų126.475%0.75471%0.708SS**  trans77.7139.6152.8-65.3-25.3000119.7
395V41.1Very low37.7Very low126 Ų126128.4 Ų128.476%0.76471%0.706SS**  cis-160.6156.1-24.41090000109.6
396P44.2Very low38Very low115 Ų115129.5 Ų129.575%0.74771%0.707SS**  trans-116.6-152.2-169.543.9-33000114.7
397R32.1Very low38Very low235 Ų235129.9 Ų129.989%0.88771%0.709SS**  trans84.6153.6179.5-98.4169.7173.4140-0.6115.1
398S34.1Very low38.1Very low95 Ų95130.6 Ų130.666%0.66471%0.712SS**  cis-159.2140.126.6-141.90000114.7
399T36.6Very low38.1Very low103 Ų103130 Ų13063%0.63271%0.711SS**  63123.6122.3-51.90000120.6
400I32.5Very low38.1Very low151 Ų151131.4 Ų131.477%0.77472%0.717SS**  cis81.1141.849.8-68.4167.4000112.8
401P43.2Very low37.9Very low99 Ų99132.3 Ų132.364%0.64372%0.721SS**  cis-144.2-152.6-26.943.1-20.9000114.8
402D32.3Very low36.9Very low111 Ų111133.3 Ų133.359%0.59472%0.72SS**  trans53.3125.3149.1-65.7-21.6000122.1
403N36.2Very low36.6Very low124 Ų124133.6 Ų133.666%0.66372%0.716SS**  -162143.767.1-90.1-85.8000111.5
404R35.4Very low36.1Very low187 Ų187134.3 Ų134.371%0.70672%0.716SS**  48.2135.188.2-44.4-178-169.5178.94.8114.3
405H35.2Very low36Very low142 Ų142135.2 Ų135.266%0.65772%0.716SS**  cis-158.9143.141.7-107-96000112.9
406L37.6Very low35.3Very low137 Ų137135.3 Ų135.372%0.71771%0.712SS**  trans64.4156.2146.8-57171.7000119.1
407N33.3Very low34.7Very low131 Ų131136 Ų13670%0.70171%0.708SS**  cis-145.8167.90.2-137.9-20.8000113.8
408L37.5Very low34.7Very low150 Ų150131.3 Ų131.379%0.78570%0.701SS**  trans-89.2-175.4176.1-78.380.3000110.6
409P38.7Very low34.4Very low117 Ų117132.4 Ų132.476%0.7670%0.699SS**  cis-143.7-178.112.744.3-24.2000119.1
410I39Very low34.3Very low156 Ų156135.7 Ų135.780%0.871%0.707SS**  trans-94.1137.7168.7-64.2152.3000109.5N412I410-N412 HydrophobicContact CG2-CB 4.26Å
411P39.4Very low34.1Very low116 Ų116131.4 Ų131.475%0.75370%0.7SS**  -139.5149.8110.922.6-2.1000113.1
412N29.3Very low33.5Very low131 Ų131132.7 Ų132.770%0.70171%0.712SS**  cis90.9143.629.2-164.922.8000114.2I410I410-N412 HydrophobicContact CG2-CB 4.26Å
413L34.6Very low33.4Very low137 Ų137133 Ų13372%0.71772%0.722SS**  trans69156.7175.9-59.6148.6000116.3
414N27.7Very low33.3Very low117 Ų117132.6 Ų132.663%0.62673%0.729SS**  cis-174.1177.4-38.4-145.7-3.8000107
415H35.9Very low33.7Very low160 Ų160129.7 Ų129.774%0.74173%0.732SS**  trans69.6163.4164.3-51.3-54.1000118.2
416N27.2Very low34Very low127 Ų127128.4 Ų128.468%0.67974%0.736SS**  cis-168.1151-43.5-160.411.4000109.1
417L30.5Very low34.4Very low129 Ų129126.3 Ų126.368%0.67573%0.731SS**  trans58.8147.9158.4-73.9160.3000121.3
418N31.6Very low34.4Very low137 Ų137128 Ų12873%0.73373%0.732SS**  trans63.9126.5151.2-63.1-12000118.7
419N28.8Very low34.2Very low118 Ų118128 Ų12863%0.63173%0.731SS**  cis91.5133.947.8-175.132.7000112.5
420H33.5Very low33.9Very low173 Ų173126 Ų12680%0.80173%0.725SS**  trans62.9144.7-164.7-43.5-77.2000112.8
421G29.5Very low33.5Very low60 Ų60124.7 Ų124.762%0.61973%0.73SS**  cis149160.58.800000108.1
422S30.4Very low33.2Very low127 Ų127122.3 Ų122.389%0.88873%0.727SS**  trans62.2126.4-18024.70000115.9
423S30.2Very low33.5Very low116 Ų116124.2 Ų124.281%0.81174%0.737SS**  8699.255.11770000114.4
424S34.7Very low33.4Very low117 Ų117125 Ų12582%0.81874%0.741SS**  trans-156.7110.8147.249.90000112.4
425V42.7Very low34.1Very low126 Ų126124.6 Ų124.676%0.76475%0.746SS**  trans-74172148.7-148.80000107.4
426P41.9Very low33.8Very low115 Ų115121.2 Ų121.275%0.74775%0.745SS**  -150.3-16297.948.2-30000112.1
427P46.9Very low34.2Very low92 Ų92123.4 Ų123.460%0.59775%0.753SS**  -122.8-173.9-121.425.92.2000113.3
428F33.3Very low34.4Very low167 Ų167125 Ų12573%0.73276%0.757SS**  -172.1135.680.2-94.7-88.1000108.9
429I31.6Very low34.6Very low149 Ų149125.2 Ų125.276%0.76476%0.756SS**  57.4131.399.4-59.7-164.3000114
430A34.1Very low35.4Very low77 Ų77124.7 Ų124.764%0.63676%0.758SS**  cis-142.3156.95.100000110.1
431S29.7Very low35.5Very low127 Ų127123.7 Ų123.789%0.88875%0.754SS**  55.6122.582.4-45.30000116.1
432G34.1Very low35.4Very low67 Ų67125.9 Ų125.969%0.69176%0.759SS**  trans145.288.5163.100000117.8
433D35.6Very low35.5Very low170 Ų170125 Ų12591%0.90975%0.753SS**  trans54.4156.2137-58.6-63.7000125.9
434N30.8Very low35.8Very low153 Ų153125.9 Ų125.982%0.81875%0.753SS**  trans-75179.4173.1-96.4-55.7000113.1
435P42.2Very low35.8Very low110 Ų110126.1 Ų126.171%0.71475%0.752SS**  cis-137.7179.5-1035.8-16000116.6
436A30.2Very low35.2Very low88 Ų88127.6 Ų127.673%0.72775%0.751SS**  trans72.6164.314500000121.8
437M36.5Very low34.5Very low174 Ų174133.6 Ų133.686%0.85776%0.758SS**  trans68141.9178.4-60.1-62.9178.200115.7
438Q34Very low33.8Very low162 Ų162132.9 Ų132.976%0.75777%0.767SS**  cis-157.6146.9-10.9173.865.3-4.500109.1
439M36.3Very low33.6Very low142 Ų142133 Ų13370%0.778%0.776SS**  trans-85.7155.8178.3-82.5-78.1-75.200114
440P44.2Very low33.5Very low106 Ų106132.1 Ų132.169%0.68878%0.781SS**  -130.3132.1116.534.4-25000112.4
441H36Very low33.2Very low153 Ų153138.6 Ų138.671%0.70879%0.791SS**  63.3137.487.9-58.9-58.3000113.8
442C28Very low33.5Very low106 Ų106140.9 Ų140.972%0.71678%0.784SS**  cis-171.2169.8-2.6-99.50000105.3
443S32.5Very low33.3Very low109 Ų109143 Ų14376%0.76279%0.786SS**  cis-178162.8-16-86.30000106.5
444T36.3Very low33.2Very low134 Ų134145.1 Ų145.182%0.82278%0.783SS**  trans-70.9170.7171.8-11.40000112.1
445P35.5Very low33Very low122 Ų122146.2 Ų146.279%0.79278%0.783SS**  -157.7173.576.742.5-20.6000120.8
446Q29.3Very low32.3Very low157 Ų157147.6 Ų147.673%0.73478%0.784SS**  trans-27.9154.5164.1-71.5-83.6-15.600122.9
447R27.9Very low32.2Very low241 Ų241150.9 Ų150.991%0.90978%0.784SS**  trans30.7136.5140.1-79.8178.7166-157.8-2.9122.1
448G31.6Very low31.8Very low76 Ų76148.6 Ų148.678%0.78478%0.78SS**  trans-177.2133.3150.700000113.3
449N29.9Very low31.8Very low171 Ų171146.8 Ų146.891%0.91479%0.785SS**  trans-90.1147.4175.3-65.45.9000111
450C28.4Very low31.8Very low129 Ų129146.9 Ų146.987%0.87279%0.788SS**  -174.9164.7118.9-153.30000112.3
451Y29.1Very low31.4Very low214 Ų214147.2 Ų147.284%0.83979%0.79SS**  trans-89.5149176.1-76.2-105.8000112.9
452K34.2Very low31.3Very low174 Ų174147.6 Ų147.676%0.75779%0.792SS**  -178.4138.7115.6-99.7168.1-176.2-179.20112.5Y454K452-Y454 HydrophobicContact CD-CE2 4.43Å
453P31Very low31.7Very low111 Ų111148.1 Ų148.172%0.72179%0.792SS**  trans-92.3147.3167.836-31.6000111.7
454Y32.3Very low31.8Very low216 Ų216148.6 Ų148.685%0.84780%0.796SS**  trans-145.4153.4163.3-84.9-73.6000111.1K452K452-Y454 HydrophobicContact CD-CE2 4.43Å
455E27.2Very low31.8Very low175 Ų175146.1 Ų146.182%0.81880%0.796SS**  trans-102.4170.6-173.8-91.6-158.9125.400113.8
456L28.1Very low31.7Very low140 Ų140147.8 Ų147.873%0.73380%0.804SS**  trans84.5137.5150.2-78.5157.8000121.7
457Q28.2Very low31.8Very low156 Ų156143.8 Ų143.873%0.72981%0.805SS**  trans90.297.2142.2-80.9172.420.900122.9
458T28.3Very low32Very low126 Ų126135.6 Ų135.677%0.77379%0.789SS**  57.3125.2122.955.30000122.5
459S33.5Very low31.9Very low124 Ų124142.1 Ų142.187%0.86779%0.791SS**  -164155.4116.8500000112.9
460L35.6Very low31.8Very low144 Ų144140.3 Ų140.375%0.75479%0.787SS**  trans-97.7162.7177.5-126.176.3000111.3Q462L460-Q462 HydrophobicContact CD2-CG 4.24Å
461P37.3Very low31.8Very low114 Ų114138.7 Ų138.774%0.7478%0.783SS**  -131.315683.59.215000113.5
462Q34Very low31.7Very low160 Ų160133.3 Ų133.375%0.74878%0.782SS**  58.313772.3-50.5-173.211.700113.5L460L460-Q462 HydrophobicContact CD2-CG 4.24Å
463T35.2Very low31.4Very low117 Ų117129.1 Ų129.172%0.71878%0.78SS**  cis-149.315139.253.60000116.4
464S35.2Very low31.3Very low120 Ų120132 Ų13284%0.83979%0.789SS**  trans37.9130.7143.365.10000123.7
465G36.8Very low31.3Very low81 Ų81126.7 Ų126.784%0.83579%0.789SS**  trans177.781161.100000115
466V31.7Very low31.5Very low157 Ų157123.5 Ų123.595%0.95279%0.787SS**  trans-84.7147-178.2-72.60000113.6
467G32.8Very low32.1Very low74 Ų74123 Ų12376%0.76379%0.792SS**  trans163.78716500000119.6
468A32.1Very low32.4Very low69 Ų69121.1 Ų121.157%0.5780%0.795SS**  trans43.6110.9134.900000122.9
469Y29.1Very low32.7Very low212 Ų212119.5 Ų119.583%0.83180%0.795SS**  trans8.8131.6133.216.9-91.9000118.2
470T28.5Very low32.9Very low133 Ų133120.8 Ų120.882%0.81679%0.791SS**  -159.4162.658.844.50000115.8
471A27.1Very low32.8Very low96 Ų96121.5 Ų121.579%0.79379%0.791SS**  trans32.8126.7148.100000123.8
472A27.5Very low32.6Very low100 Ų100121 Ų12183%0.82679%0.79SS**  trans83.3149.2141.600000121.7
473A27.8Very low32.7Very low86 Ų86118.3 Ų118.371%0.71179%0.789SS**  trans67.8110161.300000120.8
474L28.4Very low32.5Very low173 Ų173119.9 Ų119.991%0.90679%0.793SS**  48.298.8125.8-56.2170.8000119.6
475A32.5Very low32.5Very low103 Ų103123 Ų12385%0.85179%0.794SS**  177.8143.9123.600000112.8
476S32Very low32.1Very low109 Ų109127 Ų12776%0.76279%0.791SS**  trans-87.1161.6158.1-49.10000110.1
477P40.7Very low32.1Very low130 Ų130127.3 Ų127.384%0.84479%0.787SS**  -141-177.910836.8-22.9000114.3
478S33.5Very low32.1Very low115 Ų115129.2 Ų129.280%0.80479%0.788SS**  trans-133.6-170.4-170.7-48.80000112.5
479A35.8Very low32.1Very low92 Ų92133.6 Ų133.676%0.7680%0.802SS**  trans82.7151.6179.600000114.4
480L37.3Very low32.3Very low151 Ų151131.3 Ų131.379%0.79180%0.804SS**  cis-139.917315.6-69.7160.8000109.5
481Q34.6Very low32.7Very low160 Ų160129.7 Ų129.775%0.74880%0.796SS**  cis-174.7160.4-28.7177.7177.2-27.500107.9
482S33.1Very low32.9Very low102 Ų102134.3 Ų134.371%0.71380%0.799SS**  trans73.8152.1165.9-73.70000117.8
483S34.7Very low33Very low104 Ų104136.7 Ų136.773%0.72780%0.797SS**  cis-162.9146.3-6.139.90000114
484N30.5Very low33.1Very low151 Ų151142.6 Ų142.681%0.80781%0.807SS**  trans18.3128.3155.1-59.8-27.5000122
485Q35.4Very low33.3Very low184 Ų184139.8 Ų139.886%0.8680%0.797SS**  -167.9175.499.3-105.9177.499.500114.9
486Q30.2Very low33.2Very low165 Ų165143.4 Ų143.477%0.77180%0.797SS**  trans-72.9144.5-159.9-60.8155.7-102.500116.2
487L31.8Very low33.1Very low165 Ų165145.5 Ų145.586%0.86480%0.799SS**  177.7125.8112.5-96.5161.6000110.8
488S31.8Very low32.8Very low114 Ų114149.8 Ų149.880%0.79781%0.805SS**  trans-150135172.6550000111.8
489N32.5Very low32.5Very low160 Ų160154.8 Ų154.886%0.85681%0.806SS**  trans-130.3122.4171.6-86-31.9000107.7
490N33.2Very low32.4Very low164 Ų164157.3 Ų157.388%0.87781%0.807SS**  trans-140.1132.9170-116-12.7000108.4
491P36.7Very low32.2Very low99 Ų99158.2 Ų158.264%0.64381%0.813SS**  trans-91.9173-169.236.8-37.4000114.3
492F32Very low32.1Very low194 Ų194154.5 Ų154.585%0.85181%0.81SS**  trans66.7101169.4-64.8-74.5000118.4
493N28.1Very low32.2Very low150 Ų150157 Ų15780%0.80281%0.813SS**  trans-141.8133.7138.8-111.1-82.8000108.1
494F29.4Very low32.1Very low209 Ų209158.1 Ų158.192%0.91781%0.811SS**  trans-14396.1167.7-157.5-86.9000109.2
495T32.9Very low32.2Very low114 Ų114159.1 Ų159.170%0.69981%0.811SS**  trans-110.5147.7-178.4-11.50000109.2
496Q30.8Very low32.2Very low180 Ų180154.4 Ų154.484%0.84180%0.796SS**  trans-57.9139.5-173.1-64.9-175.9-6.300113.4
497N30.3Very low32.2Very low152 Ų152156.8 Ų156.881%0.81380%0.799SS**  trans-165.498.2145.4-100.9-47.7000111.2
498F33.4Very low32Very low220 Ų220153.3 Ų153.397%0.96579%0.789SS**  trans-139.4123.8151.9-89.4-71.9000108.9
499R28.4Very low32.1Very low221 Ų221155.9 Ų155.983%0.83479%0.788SS**  trans-143.2148.2-179.9-153.9-172.5-174.9166.23.5107.9
500N32.9Very low31.9Very low144 Ų144153.7 Ų153.777%0.7779%0.785SS**  trans66.198.6176-48.1-20000115
501N33.9Very low31.9Very low171 Ų171149.7 Ų149.791%0.91478%0.782SS**  -142.7148.5102.8-137.2-6.1000109.6
502A31.6Very low32Very low82 Ų82149.7 Ų149.768%0.67879%0.791SS**  trans-129.8150.9-177.800000109.8
503I35.9Very low32.3Very low153 Ų153146.9 Ų146.979%0.78579%0.792SS**  trans-172114.8144.5-97.4148.1000109
504N32.5Very low32.4Very low128 Ų128142.7 Ų142.768%0.68478%0.784SS**  trans41.7110.6144.6-55.2-24.2000121.7
505H32.4Very low32.6Very low173 Ų173140.8 Ų140.880%0.80178%0.783SS**  52.5158.3101.5-73.1-58.8000121.3
506P35.8Very low32.7Very low84 Ų84141.6 Ų141.655%0.54579%0.788SS.*  cis-143.1-172-45.536.2-15.7000113.7
507Y30.2Very low33Very low216 Ų216141.4 Ų141.485%0.84779%0.787SS**  trans68158.2165.3-60.6-57000117.9
508S27.9Very low33.5Very low92 Ų92139.6 Ų139.664%0.64378%0.783SS**  cis-168.9165.9-37.2-1130000112
509H32.4Very low33.6Very low167 Ų167133.7 Ų133.777%0.77377%0.769SS**  trans66.8100.3150.9-85.3-69000122.1
510S30Very low33.8Very low114 Ų114129.2 Ų129.280%0.79777%0.766SS**  59.8129.6120.863.30000122.7
511G32.2Very low33.8Very low80 Ų80126 Ų12683%0.82576%0.76SS**  trans-156.5125.4151.900000110.9
512A38.2Very low34Very low100 Ų100126 Ų12683%0.82676%0.757SS**  trans-156.7140.2-179.700000112.8
513P38.6Very low34.2Very low134 Ų134126.6 Ų126.687%0.8776%0.762SS**  trans-120.9162145.837.1-27.3000110.4
514G31.4Very low34.1Very low62 Ų62127 Ų12764%0.63976%0.764SS**  cis156164.10.700000109.9
515L33.9Very low34.1Very low169 Ų169125.2 Ų125.289%0.88577%0.767SS**  trans72.5135.2-176.5-44.1168.3000114.7
516T35.1Very low33.9Very low131 Ų131121.6 Ų121.680%0.80477%0.767SS**  cis-154138.6-1616.70000109.8
517H35.7Very low33.6Very low177 Ų177122.2 Ų122.282%0.81978%0.78SS**  trans-97.6169.7172.7-96.6-58.2000110.6
518P41.2Very low33.6Very low113 Ų113116.6 Ų116.673%0.73478%0.778SS**  cis-135.6173.94741-20.6000114.9
519S34.6Very low33.9Very low96 Ų96116.9 Ų116.967%0.67179%0.786SS**  cis68.815139.2-92.70000115.1
520T34Very low34.1Very low127 Ų127115.8 Ų115.878%0.77979%0.791SS**  cis179.4146.7-18.1-920000107.2
521A32.7Very low34.4Very low78 Ų78114.6 Ų114.665%0.64579%0.788SS**  trans176150.8147.500000115.2
522M37.6Very low34.6Very low171 Ų171115.1 Ų115.184%0.84278%0.784SS**  trans51.1113.4159.4-66.5-178.3-73.100118.3
523A35.3Very low34.8Very low94 Ų94120 Ų12078%0.77779%0.79SS**  cis75.884.311.500000118
524L34.2Very low34.9Very low160 Ų160122.3 Ų122.384%0.83879%0.789SS**  trans-160.2123.6150.6-92135.6000104.6
525A32.1Very low35.2Very low91 Ų91127.4 Ų127.475%0.75279%0.793SS**  65.4134.355.700000113.6
526A28.3Very low35.5Very low97 Ų97126 Ų12680%0.80278%0.782SS**  cis-163.4156.7-15.900000111.1
527A29.4Very low35.6Very low98 Ų98127 Ų12781%0.8178%0.778SS**  trans24129.8156.500000123.6
528A30.4Very low35.5Very low98 Ų98124 Ų12481%0.8178%0.777SS**  trans87.9162.4135.400000121.8
529A34.5Very low35.3Very low97 Ų97121.7 Ų121.780%0.80277%0.773SS**  trans72.6148.4174.100000116.8
530V35.9Very low35.3Very low145 Ų145124.1 Ų124.188%0.87978%0.784SS**  cis-152.3167.4-15.5117.40000109.1
531A36.6Very low35.4Very low89 Ų89123.6 Ų123.674%0.73679%0.785SS**  trans-83.8164.1-173.700000116.1
532A36Very low35.4Very low91 Ų91125.1 Ų125.175%0.75279%0.791SS**  trans72.4126.6153.500000120.5
533H43.2Very low34.9Very low203 Ų203126.2 Ų126.294%0.9479%0.792SS**  trans-143.3149.7138.9-109.8-80.3000110
534Q40.4Very low35Very low181 Ų181127 Ų12785%0.84679%0.789SS**  trans-135.8135.3-164.8174.1-161.645.100110.6
535K39.3Very low34.8Very low170 Ų170124 Ų12474%0.73978%0.782SS**  trans-169.9125.6150.2-116.3-171.7175.3-172.30113.9
536Q39.7Very low34.6Very low139 Ų139125.2 Ų125.265%0.6578%0.783SS**  52.7145.7128-68.3173.3-5.100120.1
537Q37.3Very low34.7Very low153 Ų153126.8 Ų126.872%0.71578%0.782SS**  cis-160.6137.616.4-132.9165.880.200113.8
538S33.8Very low34.7Very low113 Ų113130.1 Ų130.179%0.7979%0.786SS**  trans49.4128.9140.859.60000125.5
539G35.4Very low34.7Very low65 Ų65128.5 Ų128.567%0.6778%0.779SS**  trans15092.2151.400000113.8
540V35.5Very low34.8Very low146 Ų146128.9 Ų128.989%0.88578%0.775SS**  49.7136.792-45.30000115.2
541S35.1Very low34.5Very low116 Ų116128.1 Ų128.181%0.81177%0.767SS**  cis-174.1172.9-13.553.10000107.5
542S32.8Very low34.2Very low111 Ų111132.8 Ų132.878%0.77677%0.771SS**  cis-160.7170.513.5-172.70000111.5
543F27.2Very low34.1Very low194 Ų194132.7 Ų132.785%0.85176%0.764SS**  trans-88.6-176.3160.6-63.8-83.9000110.8
544P37.9Very low33.5Very low110 Ų110128.4 Ų128.471%0.71476%0.757SS**  cis-148.6-176.79.346.4-26.6000119.9
545S29.7Very low33.1Very low98 Ų98123.6 Ų123.669%0.68575%0.748SS**  trans85.7112.1136.6-75.20000125.6
546C27.8Very low32.8Very low116 Ų116124 Ų12478%0.78476%0.758SS**  trans70.4167.7130.9-48.40000119
547V31.1Very low32.6Very low130 Ų130120.7 Ų120.779%0.78876%0.761SS**  cis-143.2163.211.2-157.40000112
548L30.2Very low32.9Very low167 Ų167119.7 Ų119.787%0.87477%0.767SS**  trans-30.8153.7176.8-79.658.6000121.9
549G29.6Very low33.1Very low65 Ų65121.8 Ų121.867%0.6777%0.768SS**  122.6108.8121.500000116.3
550S35.8Very low33.6Very low104 Ų104124.7 Ų124.773%0.72778%0.775SS**  77.4116.35179.40000115.9
551N30.9Very low33.7Very low130 Ų130120.5 Ų120.570%0.69576%0.762SS**  172.5138.2129.7-88.8-10.2000115.5
552F30.3Very low33.9Very low187 Ų187121.5 Ų121.582%0.8277%0.766SS**  trans41.9161.2139.2-57.4-51.8000123.8
553S32.5Very low34.2Very low89 Ų89122.7 Ų122.762%0.62277%0.768SS**  cis-179.7157-29.7-169.40000110.8
554S31.6Very low34.4Very low112 Ų112119.3 Ų119.378%0.78377%0.768SS**  trans68.7165.4157.6-43.50000116
555A31.3Very low34.8Very low80 Ų80120.2 Ų120.266%0.66177%0.774SS**  cis-157.8152.510.700000113.5
556L33.2Very low34.8Very low179 Ų179120.8 Ų120.894%0.93778%0.778SS**  trans63.8149.8146.4-62.3165000121.6
557G35.9Very low35.2Very low69 Ų69122.3 Ų122.371%0.71178%0.777SS**  trans-94.2-159.3175.700000114
558P42.9Very low35.2Very low132 Ų132122.4 Ų122.486%0.85777%0.773SS**  -147.3-172.567.741.5-23.1000116.7
559I39Very low35.2Very low157 Ų157118.8 Ų118.881%0.80576%0.762SS**  trans-89149.5179.9-60.2159000111.5
560P46.2Very low35.4Very low126 Ų126126.9 Ų126.982%0.81877%0.772SS**  trans-116.9142.1141.6-0.521.8000112.7
561G37.6Very low35.3Very low59 Ų59130 Ų13061%0.60878%0.775SS**  trans-100.5-177.6179.600000114.4
562P38.4Very low35.4Very low137 Ų137130.4 Ų130.489%0.8978%0.775SS**  trans-77.8148.4-177.332.7-35.6000112.8
563V40Very low35.4Very low136 Ų136127.4 Ų127.482%0.82477%0.773SS**  trans-135.7125.9173.4-74.60000111.6
564S31.1Very low35.5Very low122 Ų122127 Ų12785%0.85378%0.775SS**  trans-89.7148.9162.9-50.90000109.7
565P45.4Very low35.4Very low130 Ų130128.3 Ų128.384%0.84477%0.773SS**  trans-119.9166.4142.335.6-28.1000111.4
566S30.2Very low35.5Very low110 Ų110129.5 Ų129.577%0.76977%0.772SS**  trans-131.4-179-180-172.30000109.5
567I35.6Very low35.3Very low147 Ų147127.5 Ų127.575%0.75476%0.762SS**  trans89.2131.4161.5-59165.6000118
568D32.1Very low35.2Very low133 Ų133131 Ų13171%0.71177%0.77SS**  trans71.8101.6158.4-82.2-45.2000124.7
569S29.7Very low34.8Very low90 Ų90130 Ų13063%0.62977%0.766SS**  50.9116.4106-52.80000121.1
570R34.5Very low34.9Very low236 Ų236128 Ų12889%0.89176%0.761SS**  179.6124.6105.1-96.4160.2-166-173.76.1116.2
571H32.6Very low34.8Very low169 Ų169127.7 Ų127.778%0.78276%0.759SS**  trans67.9136.9132.9-102.6-133.8000124.4
572I33.5Very low35Very low138 Ų138129.8 Ų129.871%0.70876%0.762SS**  trans90.187.5147.1-61.7161.7000119.7
573T30.5Very low34.8Very low125 Ų125130.5 Ų130.577%0.76776%0.757SS**  43.1139111.9-29.50000122.4
574A34.1Very low34.6Very low80 Ų80128.7 Ų128.766%0.66176%0.756SS**  trans120.399132.600000119.5
575N30Very low34.7Very low139 Ų139131.7 Ų131.774%0.74376%0.756SS**  75.9112.4116.6-68.713000124.3
576T33.1Very low34.4Very low105 Ų105131.5 Ų131.564%0.64476%0.758SS**  77.4118.9120.162.60000123.9
577N29.2Very low34.4Very low138 Ų138134.2 Ų134.274%0.73876%0.759SS**  79161.6124.3-60.8-5000122.2
578T34.2Very low34.4Very low143 Ų143137.4 Ų137.488%0.87777%0.767SS**  trans79.4141165.971.50000116.5
579S34.2Very low34.5Very low109 Ų109138.8 Ų138.876%0.76277%0.769SS**  cis-156.9160.1-11.7-178.40000111.7
580T41.1Very low34.7Very low116 Ų116140.9 Ų140.971%0.71278%0.778SS**  trans-59.4162.7167.7-7.20000114.4
581P43.2Very low34.6Very low120 Ų120133.5 Ų133.578%0.77976%0.762SS**  -134.3168118.738.7-30000115.2
582P41.4Very low34.7Very low102 Ų102133.5 Ų133.566%0.66277%0.766SS**  trans-135.7-167.5-162.339.6-18.6000116.3
583I34.9Very low34.8Very low153 Ų153133.3 Ų133.379%0.78577%0.766SS**  trans78.6121.1160.6-58.5158.4000118.7
584A35.9Very low35Very low97 Ų97134.5 Ų134.580%0.80276%0.763SS**  -173.9156.2129.800000111.4
585H33.5Very low35Very low185 Ų185136 Ų13686%0.85677%0.769SS**  trans-114.4148.1-177.8-64.8-114.6000112.7
586S38.6Very low35.1Very low126 Ų126134 Ų13488%0.88177%0.766SS**  trans-160.6128.4147.2-158.60000110.9
587E29.8Very low35.1Very low168 Ų168135.2 Ų135.279%0.78577%0.773SS**  trans-99.9153.3178.7-59.4175.1130.200111.5
588K36.2Very low35.7Very low214 Ų214133.2 Ų133.293%0.9377%0.768SS**  trans-156.1113.4147.7-117.1166.7-172.8176.80112.4
589H33.7Very low35.7Very low161 Ų161132.9 Ų132.975%0.74577%0.766SS**  trans-74.6145.9171.5-93-126.4000112
590T35.2Very low35.8Very low135 Ų135131.7 Ų131.783%0.82876%0.757SS**  171.2126.3120.3380000108.6
591S31.2Very low35.6Very low80 Ų80133.4 Ų133.456%0.55976%0.757SS**  cis105.389.813.680.70000116.4
592I34.4Very low35.2Very low169 Ų169136.4 Ų136.487%0.86775%0.753SS**  trans-144.294.7151.3-53.3-179.9000105
593L37.3Very low34.9Very low134 Ų134136.7 Ų136.770%0.70275%0.749SS**  61.6147.877.3-86.187.4000116
594E33.3Very low34.8Very low150 Ų150135 Ų13570%0.70175%0.75SS**  cis166.8149.7-35.4165.9167.6-154.900108.3
595S34.1Very low34.7Very low113 Ų113134.2 Ų134.279%0.7974%0.744SS**  trans-168123.6144.9450000112.3
596S31.5Very low34.5Very low96 Ų96135.2 Ų135.267%0.67174%0.742SS**  trans-165.1170.6171.2-78.90000109.9
597T33.3Very low34.3Very low131 Ų131134.9 Ų134.980%0.80474%0.735SS**  trans70.8176171.882.50000114.7
598P41.7Very low34.2Very low96 Ų96133.3 Ų133.362%0.62373%0.732SS**  cis-141.7153.34.137.7-17.1000120.2
599T36Very low34.1Very low136 Ų136130.6 Ų130.683%0.83473%0.726SS**  trans66.5167.814361.60000119.2
600S35.9Very low33.9Very low84 Ų84126.3 Ų126.359%0.58773%0.726SS**  cis-160.1144.818.4-158.70000115.1
601Q36.8Very low33.8Very low151 Ų151123.5 Ų123.571%0.70672%0.724SS**  trans61.7156.6151.3-74.7-178.233.100118.3
602R35.4Very low33.7Very low183 Ų183129.8 Ų129.869%0.69174%0.737SS**  cis-166.4169.92.8-120.4-167.1150.288.316.6108.2
603D33.9Very low33.6Very low108 Ų108130.7 Ų130.758%0.57874%0.737SS**  cis-165151.7-21.3-130.76.7000107.6
604S33.7Very low33.5Very low117 Ų117129 Ų12982%0.81874%0.736SS**  trans64.1154163.9-700000119.4
605A33.4Very low33.6Very low81 Ų81127.1 Ų127.167%0.66974%0.737SS**  cis-159.5146.6-6.200000113.6
606Y30Very low33.3Very low207 Ų207129.1 Ų129.181%0.81274%0.737SS**  trans63.6108146.8-83.7-104.6000123.6
607T34.1Very low33.2Very low119 Ų119130 Ų13073%0.7374%0.739SS**  trans67.8155130.156.40000122.3
608N28.1Very low33Very low135 Ų135130.6 Ų130.672%0.72274%0.737SS**  cis-171.7159.5-29.6-168.25.4000108.2
609L33.1Very low32.6Very low156 Ų156131.2 Ų131.282%0.81774%0.743SS**  trans61.9148.2-179.7-53.9104.3000115.6
610G30.4Very low32.5Very low72 Ų72129.4 Ų129.474%0.74274%0.737SS**  cis130119.8-5.700000112.8
611G31.3Very low32.5Very low75 Ų75133.1 Ų133.177%0.77375%0.748SS**  trans155.2130.617300000114.3
612Y29.2Very low32.8Very low213 Ų213130.7 Ų130.784%0.83575%0.745SS**  trans-93.5140.4172.2-76-111.6000110.6
613H33.1Very low32.8Very low188 Ų188132.9 Ų132.987%0.8776%0.755SS**  trans-161.1145.9137.7-135.7-93.2000113.7
614S34.6Very low32.9Very low97 Ų97131.6 Ų131.668%0.67876%0.76SS**  trans-73.5157.4160.8-43.60000109.7
615P36.6Very low32.9Very low111 Ų111134.6 Ų134.672%0.72176%0.761SS**  -157.3166.990.941.7-22.8000117.9
616I28Very low33Very low155 Ų155135.6 Ų135.680%0.79576%0.758SS**  29.7141.6127.9-46.7175.3000120.1
617T29Very low33Very low116 Ų116130.1 Ų130.171%0.71275%0.751SS**  trans-45.5155.7164.551.60000113.8
618N28.8Very low33Very low142 Ų142132 Ų13276%0.75975%0.75SS**  178.3151.264-143.91.1000111.6
619S33.9Very low33.1Very low109 Ų109132.7 Ų132.776%0.76275%0.753SS**  trans49.2175.7156.475.60000118.8
620S33.4Very low32.8Very low99 Ų99130 Ų13069%0.69275%0.748SS**  cis-157.4165.91.6-164.50000109.9
621I35.7Very low32.8Very low162 Ų162130.8 Ų130.883%0.83175%0.747SS**  163.1146.7129.6-86.5164.5000112.5
622P42.6Very low32.8Very low99 Ų99133.9 Ų133.964%0.64375%0.752SS**  trans-132.8179.7-157.243.6-26.9000116.6
623Y36.2Very low32.7Very low229 Ų229130.8 Ų130.890%0.89875%0.749SS**  trans-142.8123.7148.1-93.4-91000107
624A35.8Very low32.8Very low82 Ų82128.1 Ų128.168%0.67875%0.746SS**  81.3139.581.300000112.9
625Q34.1Very low32.4Very low180 Ų180130.6 Ų130.684%0.84175%0.752SS**  cis-164.1172.5-0.8-146.9-172.1-5.100112.4
626V34.6Very low32.2Very low101 Ų101131.2 Ų131.261%0.61276%0.758SS**  trans70.693.8159-171.20000120
627S30.8Very low32.4Very low93 Ų93130.2 Ų130.265%0.6575%0.754SS**  24140.8117.7-45.40000122.7
628H33.1Very low32.6Very low157 Ų157133 Ų13373%0.72776%0.759SS**  160.9123.3105.8-80.1-65.5000115.6
629L30.3Very low32.9Very low150 Ų150131.1 Ų131.179%0.78575%0.752SS**  trans42.2117.5145.4-74.291.1000124.6
630S28Very low33Very low101 Ų101129.7 Ų129.771%0.70676%0.755SS**  63.6106.7125.373.10000124.4
631A28.9Very low33.1Very low88 Ų88133.5 Ų133.573%0.72776%0.759SS**  79.6152.2110.200000123.8
632T31.5Very low33.2Very low140 Ų140135 Ų13586%0.85976%0.76SS**  trans87143.1163.5670000121
633N27Very low32.9Very low147 Ų147141.5 Ų141.579%0.78677%0.771SS**  trans-35.2156.8174.2-61.5-29.5000115.8
634T35Very low32.9Very low132 Ų132134.3 Ų134.381%0.8176%0.76SS**  -170.8154.368.8-52.30000112.2
635D28Very low33Very low149 Ų149136.7 Ų136.780%0.79777%0.766SS**  trans-56.1147.6165.3-89.2-76.2000114
636C31.4Very low33.2Very low125 Ų125135.7 Ų135.785%0.84577%0.765SS**  -172.5162.5111-153.30000112.6
637N32.4Very low33.6Very low133 Ų133135.7 Ų135.771%0.71177%0.767SS**  trans-90.8155.7175.4-68.6-94.8000111.7
638Q34.1Very low33.9Very low174 Ų174140.2 Ų140.281%0.81378%0.778SS**  167.8134.2102.1-89.2-152.610.900116.8
639V33.5Very low34.2Very low103 Ų103138.6 Ų138.662%0.62478%0.781SS**  trans66.3128131.5177.90000121.7F641V639-F641 HydrophobicContact CG1-CD2 3.59Å; V639-F641 HydrophobicContact CG1-CE2 3.53Å
640G37.2Very low34.7Very low79 Ų79134.8 Ų134.881%0.81478%0.778SS**  trans-163104.9157.900000112.5
641F34.1Very low35.2Very low179 Ų179139.5 Ų139.579%0.78579%0.789SS**  trans-92146.4-169.8-72.9-93.5000115.9V639V639-F641 HydrophobicContact CG1-CD2 3.59Å; V639-F641 HydrophobicContact CG1-CE2 3.53Å
642K38.9Very low35.7Very low193 Ų193140 Ų14084%0.83979%0.793SS**  -176.6131.5127.5-93.1144.4-170.2173.80108.9
643R36.8Very low36.1Very low236 Ų236139.8 Ų139.889%0.89179%0.794SS**  cis103.8134.445.8-168.4-173.7-153.7-174.48.8109.5
644A35.9Very low36.8Very low79 Ų79136.3 Ų136.365%0.65379%0.793SS**  cis-176.1-173.2-2200000109
645V37.2Very low36.9Very low132 Ų132134.9 Ų134.980%0.879%0.794SS**  trans80.9137.5160.8-171.30000116.5
646L38.4Very low37.3Very low159 Ų159138 Ų13883%0.83280%0.796SS**  cis-170.4-179.2-38.9-102.7165.9000107.1
647P42.2Very low37.8Very low101 Ų101141 Ų14166%0.65680%0.799SS**  trans-114.5180-151.344.6-39000116.3
648H38.3Very low38.4Very low188 Ų188138.6 Ų138.687%0.8779%0.79SS**  trans-143.8139160.1-93.8-81.8000112.6
649P38.9Very low38.6Very low122 Ų122135.5 Ų135.579%0.79279%0.787SS**  trans-105.3158.5155.737.6-29.7000111.6
650G41.4Very low39Very low71 Ų71137 Ų13773%0.73280%0.8SS**  trans120.3130.4159.400000117.2
651E38.2Very low38.9Very low199 Ų199144 Ų14493%0.9380%0.801SS**  trans70.2149.2154.2-55.8-166.2106.700122.1
652A39.1Very low38.9Very low99 Ų99144.8 Ų144.882%0.81881%0.805SS**  trans72.2138.5169.500000119.7
653P41.3Very low39Very low136 Ų136144.2 Ų144.288%0.88381%0.805SS**  trans-116.3161.1-174.241.8-32.9000115.8
654G41.2Very low39.2Very low74 Ų74141.4 Ų141.476%0.76381%0.806SS**  trans179145.3164.700000114.1
655A36.2Very low39.3Very low101 Ų101141.8 Ų141.884%0.83582%0.818SS**  trans49.7107174.800000116.7
656Y37.3Very low39.3Very low214 Ų214139.3 Ų139.384%0.83982%0.82SS**  cis73.587.816.8-131.2-65.2000116.3P658Y656-P658 HydrophobicContact CE1-CB 4.2Å
657E40.4Very low39.4Very low190 Ų190141 Ų14189%0.88882%0.823SS**  trans-148150136.6-101.6-12290.300109
658P45.5Very low39.3Very low82 Ų82141.5 Ų141.553%0.53283%0.829SS.*  trans-133166.6-133.440.8-25.8000117.1Y656Y656-P658 HydrophobicContact CE1-CB 4.2Å
659S38.9Very low39.7Very low108 Ų108137.5 Ų137.576%0.75582%0.819SS**SBendtrans-63144159.6-60.70000111.2R661S659-R661 PolarHBondContact O-N 3.02Å
660P41.1Very low39.6Very low136 Ų136138.5 Ų138.588%0.88382%0.818SS**  trans-69.7125.4-174.127.6-35000112.4
661R36.3Very low39.7Very low224 Ų224145 Ų14585%0.84583%0.826SS**  trans-137.3127.1168.5-166.2176-174.8112.1-0.1110S659S659-R661 PolarHBondContact O-N 3.02Å
662F34.2Very low39.8Very low196 Ų196147.2 Ų147.286%0.8683%0.826SS**  trans-62.9138.6177-63.2-101.6000111.5
663H39.9Very low39.7Very low182 Ų182145.8 Ų145.884%0.84381%0.814SS**  trans-159160.7140.8-91.3-60.3000110
664L41Very low39.8Very low176 Ų176151.4 Ų151.492%0.92182%0.818SS**  trans-96.5153.6-174.6-69.2128.7000112.2
665G37.9Very low39.4Very low87 Ų87157.5 Ų157.590%0.89782%0.819SS**  trans105.3119.3158.100000115.9
666G38.7Very low39.5Very low81 Ų81160.1 Ų160.184%0.83582%0.818SS**  trans167.1129.7174.200000110.6
667Q40.4Very low39.4Very low195 Ų195155.2 Ų155.291%0.91182%0.816SS**  trans-99.4149.6-170.1-65.4-179.55.700113.2
668S40.3Very low39.2Very low110 Ų110152.8 Ų152.877%0.76981%0.814SS**  trans-64.9148.5166.7-168.50000110.6
669P45.4Very low38.9Very low104 Ų104153.1 Ų153.168%0.67582%0.823SS**  -150.2134.3103.835.2-18.2000115.5
670N37.7Very low38.9Very low143 Ų143153.7 Ų153.777%0.76583%0.828SS**  171.2103.1116.8-99.2-79.3000112.4
671K43.7Very low38.9Very low207 Ų207150.4 Ų150.490%0.982%0.818SS**  trans-97.2129.7147-96.1-177.7175.3176.20107.5A673K671-A673 PolarHBondContact O-N 2.7Å; K671-A673 VanDerWaalsContact O-N 3.11Å
672R38.7Very low39Very low247 Ų247145.7 Ų145.793%0.93282%0.819SS**  trans-60.8112178.3-115178.2174.5172.3-2.1110.3
673A38.4Very low39.2Very low69 Ų69142 Ų14257%0.5782%0.818SS**  trans-73.4140.7168.200000110.5K671 Y675K671-A673 PolarHBondContact O-N 2.7Å; K671-A673 VanDerWaalsContact O-N 3.11Å; A673-Y675 HydrophobicContact CB-CD2 3.85Å; A673-Y675 HydrophobicContact CB-CE2 3.74Å
674R43.8Very low39.1Very low253 Ų253138.1 Ų138.196%0.95581%0.812SS**  trans-102.9106.9159.5-78-112.9-86.4167.6-7.3107.2
675Y32.1Very low38.8Very low202 Ų202136.8 Ų136.879%0.79281%0.805SS**  trans-83.5175.7177.5-88.2-88.7000112.1A673A673-Y675 HydrophobicContact CB-CD2 3.85Å; A673-Y675 HydrophobicContact CB-CE2 3.74Å
676L37.6Very low38.7Very low156 Ų156137 Ų13782%0.81779%0.793SS**  trans87.489163.7-49.1-178.8000117.7
677S35.3Very low38.5Very low112 Ų112140.7 Ų140.778%0.78379%0.793SS**  17495.5128.6-72.60000108.8
678T36.3Very low38.1Very low138 Ų138135.8 Ų135.885%0.84778%0.78SS**  708074.466.20000116.5
679A39.5Very low37.9Very low89 Ų89136.1 Ų136.174%0.73678%0.778SS**  trans-166.6115155.800000107.1
680S39.9Very low37.6Very low121 Ų121138.6 Ų138.685%0.84679%0.785SS**  56.1123.782.569.20000114.4
681G39.4Very low37.6Very low66 Ų66135.1 Ų135.168%0.6878%0.784SS**  cis-136.9176.63.900000112.7
682S39.5Very low37.8Very low125 Ų125131.2 Ų131.287%0.87478%0.779SS**  6813176.6-510000113.2
683S38.6Very low38.2Very low119 Ų119124.8 Ų124.883%0.83277%0.77SS**  cis-166.5167.8-2.937.70000111.2
684S36.6Very low38.2Very low101 Ų101129.1 Ų129.171%0.70678%0.782SS**  trans-76155.2176.254.60000114.4
685N35.5Very low38Very low148 Ų148123.2 Ų123.279%0.79178%0.78SS**  trans165.7133.8142.2-83.6-4000107.2
686S34.7Very low38.3Very low92 Ų92117.3 Ų117.364%0.64378%0.781SS**  cis94.5122.334.579.20000114.3
687L35.1Very low38.2Very low157 Ų157113.4 Ų113.482%0.82278%0.778SS**  trans72.1117165.2-8870.4000120.5
688S32.8Very low38.4Very low93 Ų93113.8 Ų113.865%0.6578%0.781SS**  83.7141.3123.2-58.30000123.4
689T36.3Very low38.2Very low117 Ų117116.9 Ų116.972%0.71878%0.782SS**  trans69.1123.7143.3430000121.9
690D37.8Very low38.3Very low155 Ų155117.3 Ų117.383%0.82978%0.778SS**  trans63.2135.3135.5-54-34.3000123.2
691G38.4Very low38.1Very low71 Ų71119.2 Ų119.273%0.73278%0.778SS**  trans109.7131.513700000117.9
692P48.7Very low38.1Very low124 Ų124119.2 Ų119.281%0.80578%0.779SS**  trans-86.9172.5167.238.2-35.6000111.7
693P45.8Very low37.8Very low113 Ų113120.9 Ų120.973%0.73478%0.778SS**  -148.7138.3105.136.3-19.8000117.3
694L37.9Very low37.6Very low160 Ų160122.4 Ų122.484%0.83877%0.772SS**  48.3146.5128-53.5175.7000123.4
695S40.5Very low37.5Very low128 Ų128125.1 Ų125.190%0.89577%0.767SS**  trans99.2127.5159.4-41.20000116.4
696G37.3Very low37.4Very low79 Ų79127.5 Ų127.581%0.81477%0.766SS**  cis174.5157.1-900000114.9
697G37.2Very low37.4Very low73 Ų73127.4 Ų127.475%0.75377%0.765SS**  trans87145.9171.700000116.1
698S37.7Very low37.4Very low121 Ų121126.9 Ų126.985%0.84676%0.759SS**  cis-155.4137.9-11.9-74.50000111.4
699F32.9Very low37.5Very low202 Ų202130.2 Ų130.289%0.88676%0.764SS**  trans-77.2174.6155.4-81-84.3000109.1
700P42Very low37.5Very low99 Ų99130.8 Ų130.864%0.64377%0.767SS**  cis-158.9-166.837.446.7-23.2000119.2
701D36Very low37.4Very low160 Ų160127.3 Ų127.386%0.85676%0.76SS**  trans62.7152.9144.5-67.6-42.1000124.3
702G38.7Very low37.4Very low67 Ų67129.2 Ų129.269%0.69176%0.759SS**  trans102101.6167.700000113.9
703N33.1Very low36.5Very low160 Ų160129.3 Ų129.386%0.85676%0.757SS**  67.8126.856.1-72.6-13.7000116.5
704E35Very low35.7Very low150 Ų150130.2 Ų130.270%0.70176%0.755SS**  trans69.4147.8165.4-50-140.4119.700117.2
705R34.1Very low35.3Very low159 Ų159127.9 Ų127.960%0.675%0.747SS**  cis-167.2155-16-117.7-161.7-124177.513.1110.7
706Y33.7Very low35.1Very low198 Ų198128.8 Ų128.878%0.77674%0.737SS**  trans58.5158.6166.5-60-63.1000116.3
707S34.4Very low34.8Very low90 Ų90131.1 Ų131.163%0.62973%0.731SS**  cis-146.7164.8-27.6-140.50000105
708E35Very low34.5Very low146 Ų146133.4 Ų133.468%0.68273%0.73SS**  cis-157.3149.616.1-157.4140113.200110.1
709Q35Very low34.1Very low163 Ų163132.2 Ų132.276%0.76272%0.722SS**  trans24.3143.4146.9-60.2173.942.100121.9
710V35.4Very low34.1Very low129 Ų129130.5 Ų130.578%0.78272%0.721SS**  cis-159.5151.5-2.8115.90000110.4
711A36Very low33.8Very low82 Ų82129.9 Ų129.968%0.67872%0.724SS**  trans-119.5159.5164.500000109.3
712P39.5Very low34Very low110 Ų110128.7 Ų128.771%0.71472%0.723SS**  -142.9174.687.240.9-24000112
713V28.5Very low34.4Very low126 Ų126130.7 Ų130.776%0.76472%0.723SS**  cis71.3149.232.5-161.30000113.6
714I30.7Very low34.6Very low133 Ų133128.2 Ų128.268%0.68272%0.718SS**  trans7998.6175-49.5-173.7000114
715T28.8Very low35.1Very low110 Ų110126.8 Ų126.868%0.67572%0.722SS**  79.7154.382.1-49.60000113.4
716H36.1Very low35.4Very low147 Ų147123.6 Ų123.668%0.68173%0.73SS**  trans72.4153.6178.2-50.5-69000113.6
717N30.1Very low35.8Very low129 Ų129119.2 Ų119.269%0.6973%0.728SS**  cis179.7143.7-21.2-101.1-10.5000103.3
718T31.2Very low36.1Very low120 Ų120121.8 Ų121.874%0.73674%0.74SS**  trans56.5120.4135.4-49.40000120.7
719S29.6Very low36.3Very low96 Ų96117.4 Ų117.467%0.67173%0.734SS**  trans90.8122.6139.4-81.70000124
720L33.4Very low36.5Very low166 Ų166115.5 Ų115.587%0.86974%0.739SS**  96.7147.3124.9-71.8167.7000122.5
721A35.1Very low36.6Very low86 Ų86114.4 Ų114.471%0.71174%0.737SS**  trans70.4113.2169.900000117.8
722V41.3Very low36.7Very low136 Ų136115.1 Ų115.182%0.82474%0.737SS**  cis88140.748.71690000112.2
723P46.9Very low36.7Very low109 Ų109114.8 Ų114.871%0.70874%0.738SS**  cis-109.4173.9-2.529.6-9.4000112.8
724S36.3Very low37Very low107 Ų107116.3 Ų116.375%0.74874%0.741SS**  cis70.3143.140.6-57.60000113.7
725P46.9Very low37.7Very low120 Ų120115.3 Ų115.378%0.77974%0.743SS**  cis-119.7148.335.442.1-29.9000115.5
726A39.7Very low38.4Very low93 Ų93115.3 Ų115.377%0.76975%0.746SS**  72.2144.39300000114.9
727S41.2Very low38.5Very low106 Ų106116.3 Ų116.374%0.74175%0.75SS**  cis-175.61600.233.40000107.2
728T41Very low38.9Very low143 Ų143117.3 Ų117.388%0.87775%0.754SS**  cis-166.1176.21.613.60000106.7
729G38.7Very low39.5Very low54 Ų54116.7 Ų116.756%0.55775%0.752SS**  cis160.3171.6100000111.1
730S39.3Very low40Very low123 Ų123118.9 Ų118.986%0.8676%0.762SS**  trans61.4152.3174.237.40000118.1
731S38.9Very low40.1Very low106 Ų106118.3 Ų118.374%0.74176%0.759SS**  cis179156.6-16.549.90000107.9
732S37.3Very low41.1Very low97 Ų97119 Ų11968%0.67876%0.757SS**  cis-174.8174.9-14.953.60000108.1
733S38.9Very low41Very low104 Ų104119.2 Ų119.273%0.72776%0.758SS**  trans52.2137.815952.20000119.5
734N34.9Very low40.6Very low157 Ų157117 Ų11784%0.8476%0.756SS**  cis151.1147.4-1.2-106.8-9.6000105.4
735P45.5Very low40.6Very low112 Ų112122.8 Ų122.873%0.72776%0.763SS**  trans-88.7-172.5-176.242-40.7000112
736P44Very low40.1Very low111 Ų111122.1 Ų122.172%0.72176%0.761SS**  cis-159.4-168.740.836-6.6000121.1
737Q37.3Very low40Very low167 Ų167121.3 Ų121.378%0.7876%0.762SS**  trans84.7111154.8-49.7-159.625.300124.7
738I38.7Very low39.8Very low151 Ų151122 Ų12277%0.77477%0.767SS**  27.9129.2108.3-64.9173.7000117.5
739P43.7Very low39.4Very low106 Ų106121.1 Ų121.169%0.68877%0.765SS**  -161.7146.388.242.1-20.2000122.8
740T40.1Very low39.4Very low143 Ų143121.3 Ų121.388%0.87777%0.767SS**  trans68161137.758.90000124.9
741N35.5Very low39.3Very low153 Ų153122.6 Ų122.682%0.81877%0.77SS**  trans-155153.3-170.317837.7000110.9
742P56.3Low39.1Very low102 Ų102122.5 Ų122.566%0.66277%0.77SS**  trans-137.7129.9172.237-19.4000118.9
743T39.5Very low39Very low139 Ų139128.5 Ų128.585%0.85378%0.777SS**  trans36.6148.5139.756.40000123.9
744G38.4Very low38.7Very low64 Ų64130.4 Ų130.466%0.6678%0.775SS**  cis160.9178-200000114.7
745Y36.5Very low38.6Very low227 Ų227134.3 Ų134.389%0.8978%0.779SS**  trans70152.9169.5-65.6-95.3000119.7
746S37Very low38Very low107 Ų107133.5 Ų133.575%0.74878%0.776SS**  cis-176.6151.5-25.255.90000114.5
747G37Very low37.6Very low76 Ų76134.5 Ų134.578%0.78478%0.78SS**  trans103.7135.1165.400000115.8
748S37.3Very low37.5Very low120 Ų120133.3 Ų133.384%0.83978%0.779SS**  cis82.3133.124.5-159.70000114.5
749C32.9Very low37.6Very low124 Ų124131.2 Ų131.284%0.83877%0.773SS**  cis-167.3179.6-6.850.10000108.6
750G37.8Very low37.3Very low59 Ų59133.1 Ų133.161%0.60878%0.777SS**  cis166.4-177.61.300000112.2
751T37.3Very low37.1Very low149 Ų149132.7 Ų132.791%0.91477%0.769SS**  trans66.2162.9175.759.70000120.2
752S35.4Very low37.3Very low105 Ų105132.9 Ų132.973%0.73477%0.765SS**  cis174.4136.3-38.4-178.60000110.6
753R34.7Very low36.3Very low223 Ų223133.1 Ų133.184%0.84277%0.77SS**  trans-171.9-166.9148.1-111.2176.7-164.6-65.7-4.6114.1
754Q32.9Very low36.4Very low144 Ų144131.8 Ų131.867%0.67376%0.764SS**  trans-136.3158.7-165.3-56151.2-64.100112
755Y33.6Very low36.2Very low238 Ų238133.5 Ų133.593%0.93377%0.765SS**  -160.3155.6117.5-95.9-64.6000109.6
756S31.9Very low36.2Very low95 Ų95131.1 Ų131.166%0.66477%0.765SS**  trans-143.1141.5-157-43.40000115
757V36.7Very low36.4Very low132 Ų132131.4 Ų131.480%0.876%0.764SS**  trans-164.3117.5144.6-96.40000106.7
758N35.3Very low36Very low142 Ų142133.7 Ų133.776%0.75977%0.767SS**  72.5128.879.9-69.615.5000112.4
759T39.2Very low36.4Very low107 Ų107133 Ų13366%0.65676%0.761SS**  cis-166.6139.19.1-93.60000111.5
760L37.8Very low36.3Very low146 Ų146138.2 Ų138.276%0.76476%0.764SS**  trans48.6158.5158.5-8953.8000120.2
761D37Very low36.3Very low134 Ų134145.9 Ų145.972%0.71778%0.776SS**  cis-141.9-172.69-148.4-10.3000113.6
762Q38.3Very low36.3Very low157 Ų157144.2 Ų144.273%0.73477%0.768SS**  trans-106.6146.8-159.9-59.51684600115.6
763S35.6Very low36.3Very low108 Ų108142.8 Ų142.876%0.75577%0.769SS**  44.1167.5123-51.20000122.8
764P41.9Very low36.1Very low111 Ų111142.5 Ų142.572%0.72177%0.768SS**  cis-136.1-179.6-46.739.5-23.4000113.8
765S33.6Very low36.3Very low100 Ų100144.2 Ų144.270%0.69977%0.77SS**  trans-6.8135.6160.259.40000121.8
766M37.5Very low36.3Very low177 Ų177141 Ų14187%0.87276%0.763SS**  trans-146.6140148.6-94.6-64.4132.500111.6
767P40Very low36.5Very low113 Ų113139.5 Ų139.573%0.73476%0.763SS**  trans-91.7170.2173.237.1-34.1000113
768S29Very low36.7Very low123 Ų123142 Ų14286%0.8677%0.771SS**  trans-89.6129.3-176.7-1760000113.7
769P45.1Very low36.8Very low107 Ų107143.6 Ų143.670%0.69577%0.774SS**  trans-107.2139.2170.136.3-28000113.6
770Y32.1Very low37.1Very low232 Ų232147.3 Ų147.391%0.9179%0.786SS**  trans-70.6136.5158.8-109.4-106.5000109.7
771Y36.7Very low37.2Very low221 Ų221149 Ų14987%0.86779%0.79SS**  trans-153.6134.3158.9-118.2-79000112.5
772P38.8Very low37Very low114 Ų114148 Ų14874%0.7479%0.793SS**  trans-106.4140.7174.236.6-29.9000113.7
773G34.8Very low37.9Very low74 Ų74146.6 Ų146.676%0.76380%0.797SS**  trans96.5138.2135.200000120.6
774R30.9Very low38Very low217 Ų217145.7 Ų145.782%0.81980%0.796SS**  trans81.1153.1159.2-65.1-167.9175.8-126.66.6120.3
775Y36.1Very low38.1Very low181 Ų181145.8 Ų145.871%0.7180%0.797SS**  trans65144.7171.8-65.3-84000118.5
776E35.2Very low39.1Very low170 Ų170147.5 Ų147.579%0.79481%0.806SS**  cis-172.7155.3-34.4-176152.1-105.500107.3
777G35.7Very low38.8Very low64 Ų64144 Ų14466%0.6680%0.799SS**  trans5782.5153.200000119.5
778L40.2Very low38.8Very low183 Ų183148.1 Ų148.196%0.95881%0.808SS**  trans-135.6122.3137.7-81-176.3000109.4
779E38.1Very low39.1Very low177 Ų177145.1 Ų145.183%0.82780%0.797SS**  trans-81.3137.6-179.5-62.6172.89600111.7
780M44.4Very low38.7Very low185 Ų185148.2 Ų148.291%0.91181%0.807SS**  trans-142.1137.7148.8-78.7-58.6-85.700108.9
781H40.6Very low38.9Very low182 Ų182144.4 Ų144.484%0.84380%0.801SS**PPolyproline II helixtrans-69137.8-166.6-75.8-86.5000115.1
782S33.1Very low38.7Very low111 Ų111143.6 Ų143.678%0.77680%0.797SS**PPolyproline II helixtrans-77.4133.9160.3-61.10000111.3
783P56.9Low38.5Very low128 Ų128142.6 Ų142.683%0.83179%0.792SS**PPolyproline II helixtrans-74.5126.1163.730.4-31.6000110.2
784A37.4Very low38.7Very low89 Ų89146.1 Ų146.174%0.73679%0.788SS**PPolyproline II helixtrans-78.5154.1178.300000112.4
785P43.8Very low38.9Very low114 Ų114143.9 Ų143.974%0.7479%0.787SS**PPolyproline II helixtrans-71.5145.6170.331.5-35000111.2
786P55Low38.9Very low136 Ų136139.7 Ų139.788%0.88378%0.78SS**PPolyproline II helixtrans-77.1129.3178.330.3-33.8000111.9
787S31.7Very low38.8Very low103 Ų103138.9 Ų138.972%0.7278%0.776SS**  trans-139.378-17963.90000114
788H40Very low38.6Very low199 Ų199141.8 Ų141.892%0.92178%0.777SS**  trans-147.7147.8162.5-69-84000108
789G34.2Very low38.1Very low61 Ų61139.1 Ų139.163%0.62976%0.763SS**  cis128125.4-300000112.1
790L37.9Very low37.8Very low172 Ų172137 Ų13790%0.90176%0.763SS**  trans70.6148.7-179.6-47.8176.1000113.1
791L36.5Very low37.2Very low152 Ų152132.1 Ų132.180%0.79676%0.759SS**  cis-158175.8-0.6-113.8165.8000106
792R32.7Very low36.7Very low204 Ų204129.3 Ų129.377%0.7776%0.76SS**  cis-153.8164.210.1178.2171.7171.8158.40.1110.3
793S34.2Very low36.7Very low92 Ų92129.5 Ų129.564%0.64376%0.762SS**  trans-69.3160.5177.9-28.80000117
794H38.6Very low35.4Very low148 Ų148130.6 Ų130.669%0.68576%0.761SS**  -179.2129.9106.6-85-70.3000109
795H34.7Very low35.3Very low170 Ų170131.8 Ų131.879%0.78776%0.764SS**  57.8124.581.7-120-115.5000113.1
796V35.5Very low34.8Very low94 Ų94130.9 Ų130.957%0.5776%0.76SS**  cis-162.9179.15.783.10000112.8
797Q33.6Very low33.8Very low153 Ų153136.3 Ų136.372%0.71576%0.763SS**  trans-13.3155157-69.4160-57.900118.2
798N31.8Very low33.9Very low125 Ų125137.9 Ų137.967%0.66876%0.763SS**  cis-167.5167.434-138.21000114.3
799N30Very low33.8Very low126 Ų126135.4 Ų135.467%0.67476%0.755SS**  trans56127.6150.5-86.27.7000124.2
800T30.8Very low34.1Very low134 Ų134138.7 Ų138.782%0.82277%0.765SS**  trans53.2121.3136.962.80000121.5
801G33Very low34Very low81 Ų81133.5 Ų133.584%0.83575%0.754SS**  trans170.8120.8158.300000113.9
802S29.2Very low34.3Very low123 Ų123131.8 Ų131.886%0.8675%0.752SS**  trans-82.5141168.1-49.40000110.5
803S33.5Very low34.4Very low116 Ų116129.4 Ų129.481%0.81175%0.753SS**  trans176.9140.9130.256.50000115.6
804N29.4Very low34.6Very low151 Ų151130 Ų13081%0.80776%0.755SS**  trans-40.1146.9165.3-44.8-28.5000117.7
805S35.4Very low34.3Very low114 Ų114127.8 Ų127.880%0.79776%0.756SS**  -172.1112.612355.10000109.2
806S33.2Very low34.4Very low95 Ų95129 Ų12966%0.66476%0.759SS**  77.9112.764.7-64.80000114.3
807W33.6Very low34.3Very low249 Ų249129.8 Ų129.894%0.94376%0.764SS**  trans178.7127.2140.5-75.6112.7000108.1
808N34.2Very low34Very low136 Ų136129.2 Ų129.273%0.72777%0.766SS**  cis-155.4161-29.5-144.4-3.6000110.1
809I38.1Very low34Very low148 Ų148129.9 Ų129.976%0.75977%0.769SS**  trans-107.1169.4176.6-14.3177.7000110.2
810P39.6Very low34Very low129 Ų129132.2 Ų132.284%0.83877%0.774SS**  -142.5-175.967.332.4-9.2000113.8
811G37.1Very low33.9Very low64 Ų64131.2 Ų131.266%0.6676%0.763SS**  cis-175.9169.1-3.200000112.7
812P41.8Very low33.9Very low115 Ų115134.6 Ų134.675%0.74776%0.757SS**  trans-139.6-165.6-153.337.2-14.7000117.3
813L34.6Very low34.1Very low154 Ų154137.2 Ų137.281%0.80676%0.756SS**  trans80.2166.1157.8-64.2160.7000118.7
814P39.7Very low34.2Very low105 Ų105136.2 Ų136.268%0.68275%0.747SS**  cis-146.1168.4-40.540.6-23.7000118.4
815S32Very low34.3Very low101 Ų101133.2 Ų133.271%0.70674%0.737SS**  trans4.7143148.667.70000124.5
816K35.4Very low34Very low195 Ų195134.1 Ų134.185%0.84873%0.733SS**  trans164.6155141.4-96159.1-177.9-179.30109.9
817T34.8Very low33.9Very low111 Ų111140.6 Ų140.668%0.68175%0.745SS**  cis-163.7167.2-19.714.20000109.2
818N27.8Very low33.9Very low141 Ų141135.6 Ų135.675%0.75474%0.735SS**  trans-5.2154.5151.6-38.6-26.6000118.1
819L30Very low34Very low140 Ų140136 Ų13673%0.73374%0.743SS**  cis178.8149.848.4-173.461.7000111.8
820F30.7Very low33.7Very low174 Ų174135.8 Ų135.876%0.76374%0.743SS**  trans60.7165.4160-90-140.9000118.9
821D28.5Very low33.4Very low114 Ų114135.1 Ų135.161%0.6174%0.741SS**  cis-178.1176.4-34.8-174.223.2000107.4
822Q32.3Very low33.1Very low152 Ų152142.5 Ų142.571%0.7175%0.749SS**  trans76.796.2161.9-75.8144.859.700119.2
823Q33.7Very low32.7Very low177 Ų177141.1 Ų141.183%0.82774%0.743SS**  trans-60.6-174.7137.8-122.7-150.3-15.500111
824P37.1Very low32.7Very low96 Ų96142.3 Ų142.362%0.62374%0.744SS**  cis-143.1-17223.743.9-23.5000116.7
825S30.8Very low32.4Very low87 Ų87141.9 Ų141.961%0.60874%0.744SS**  trans58.4162.4143.7-67.70000121.1
826D29.6Very low32.3Very low133 Ų133146.9 Ų146.971%0.71175%0.748SS**  cis-168.1158.8-32-99.7-51.3000106.4
827Y30.9Very low32.3Very low232 Ų232144.7 Ų144.791%0.9175%0.746SS**  trans170.1160.2131.9-109.6-91.1000113.7
828I33.5Very low32.7Very low143 Ų143144 Ų14473%0.73374%0.744SS**  trans-122156.4-171.3-67.5163.9000109.9
829V35.8Very low33Very low146 Ų146144.9 Ų144.989%0.88575%0.748SS**  trans-164.8142138.6133.80000114.8
830N31.1Very low33.2Very low142 Ų142145.3 Ų145.376%0.75975%0.75SS**  trans-81.5167.7-179.2-85.4-42.4000115.3
831S33.3Very low33.3Very low116 Ų116142.8 Ų142.881%0.81175%0.754SS**  154.1156.4124.9-740000114.4
832R32.3Very low33.4Very low218 Ų218142.8 Ų142.882%0.82376%0.758SS**  cis-179.6146.4-23.2-172.7-160.7-178.5-167.30.7110.4
833S32.3Very low33.4Very low87 Ų87141.5 Ų141.561%0.60877%0.766SS**  trans65.2155.5158.333.90000118.6
834Q35.2Very low33.3Very low178 Ų178138.8 Ų138.883%0.83276%0.762SS**  cis-164-175-2.5-117.7164.6-46.600108.5
835S32.4Very low32.9Very low97 Ų97139 Ų13968%0.67877%0.765SS**  cis-167.8170.2-0.539.20000112.2
836Y31.7Very low32.8Very low205 Ų205144.1 Ų144.180%0.80478%0.78SS**  trans0.4144.5156.3-70.6-92.6000121.5
837N34.6Very low33Very low150 Ų150149.3 Ų149.380%0.80279%0.789SS**  -161.4162.552.3-119.3-21.9000114.4
838P42.1Very low33.3Very low97 Ų97144.9 Ų144.963%0.6379%0.786SS**  trans-112.7164-179.340.7-32.3000115.5
839N35.4Very low33.1Very low159 Ų159145.8 Ų145.885%0.8579%0.793SS**  trans-170.3146.4136.4-106.3-41.3000115.9
840L33.9Very low33.2Very low149 Ų149145.3 Ų145.378%0.7879%0.79SS**  trans-61.6147.4-170.3-68.2143000118.2
841S32.9Very low33.2Very low121 Ų121143 Ų14385%0.84679%0.791SS**  -163.3159.7110.449.60000110.7
842V30.2Very low33.3Very low113 Ų113143.2 Ų143.269%0.68579%0.787SS**  trans-137.1140.9-163.3174.30000111.6T844V842-T844 HydrophobicContact CG1-CG2 4.13Å
843S32.7Very low33.6Very low125 Ų125139 Ų13987%0.87479%0.785SS**  trans-145.8131.1148.6-79.60000109.6
844T30.6Very low33.6Very low121 Ų121143.9 Ų143.974%0.74280%0.796SS**  trans-95.6174.5176.759.20000109.5V842V842-T844 HydrophobicContact CG1-CG2 4.13Å
845S28.7Very low33.8Very low100 Ų100146.2 Ų146.270%0.69980%0.797SS**  cis-159.9152.719.4-290000109.8
846E30.4Very low34.2Very low194 Ų194146.5 Ų146.591%0.90780%0.797SS**  trans171.3112.5143.6-103.2179.2-174.100112.4
847R32.4Very low34.7Very low243 Ų243142.7 Ų142.792%0.91780%0.797SS**  trans-176125.7143-113.2-179.2-178.8-155.8-1.7111.9
848T38.1Very low35.1Very low138 Ų138143.5 Ų143.585%0.84780%0.8SS**  trans-96.9150162.643.90000110.2
849N29.5Very low35.2Very low162 Ų162143.9 Ų143.987%0.86680%0.8SS**  trans-85.4136.1-173-74.3-64000112.8
850V36.5Very low35.5Very low136 Ų136141.8 Ų141.882%0.82480%0.795SS**  trans-132.1131.4153.1-80.50000108.5T852V850-T852 PolarHBondContact O-N 3.4Å
851A32Very low35.7Very low95 Ų95143.9 Ų143.979%0.78580%0.799SS**  trans-83.6110-168.200000112.4V853A851-V853 PolarHBondContact O-N 2.66Å
852T35Very low35.7Very low120 Ų120143.3 Ų143.374%0.73679%0.79SS**  trans-72.895.6171.1-56.50000110.6V850 F854V850-T852 PolarHBondContact O-N 3.4Å; T852-F854 HydrophobicContact CG2-CD2 4.33Å; T852-F854 HydrophobicContact CG2-CE2 4.44Å; T852-F854 PolarHBondContact O-N 2.92Å; T852-F854 VanDerWaalsContact O-N 3.15Å
853V38.1Very low36.2Very low129 Ų129145.5 Ų145.578%0.78280%0.797SS**  trans-72.3104.1168.2179.40000108.8A851 R855A851-V853 PolarHBondContact O-N 2.66Å; V853-R855 PolarHBondContact O-N 2.95Å
854F32.4Very low36.3Very low189 Ų189147.9 Ų147.983%0.82980%0.795SS**PPolyproline II helixtrans-60122.5171.8-94.4-102.9000110.6T852T852-F854 HydrophobicContact CG2-CD2 4.33Å; T852-F854 HydrophobicContact CG2-CE2 4.44Å; T852-F854 PolarHBondContact O-N 2.92Å; T852-F854 VanDerWaalsContact O-N 3.15Å
855R39.8Very low36.8Very low227 Ų227150 Ų15086%0.85780%0.8SS**PPolyproline II helixtrans-93.8140.9158.6-100.8-174170.1-174-2.6109.2V853V853-R855 PolarHBondContact O-N 2.95Å
856P41.6Very low37.2Very low104 Ų104154 Ų15468%0.67581%0.808SS**PPolyproline II helixtrans-69.9154.1178.530.3-35.4000111.5I858P856-I858 PolarHBondContact O-N 3.19Å
857P41.3Very low37.3Very low125 Ų125150.3 Ų150.381%0.81280%0.804SS**PPolyproline II helixtrans-67.3128.2174.328.8-33.9000110.4
858I44.3Very low38Very low166 Ų166147.8 Ų147.885%0.85180%0.803SS**PPolyproline II helixtrans-81.1120.1171-61.8176.1000107.6P856P856-I858 PolarHBondContact O-N 3.19Å
859T42.5Very low38.3Very low105 Ų105148.8 Ų148.864%0.64480%0.803SS**PPolyproline II helixtrans-71.2144.2176.6430000111.4
860P42.3Very low39.1Very low115 Ų115149.1 Ų149.175%0.74780%0.804SS**PPolyproline II helixtrans-70.6131.1170.529.7-33000110T862P860-T862 PolarHBondContact O-N 3.22Å; P860-T862 VanDerWaalsContact O-N 3.16Å
861F37.4Very low39.5Very low194 Ų194145.9 Ų145.985%0.85180%0.799SS**  trans-77.294.9168.3-82.6-90.7000109.7L863F861-L863 PolarHBondContact O-N 3.25Å
862T34.4Very low40Very low108 Ų108148.7 Ų148.766%0.66380%0.801SS**  trans-79113.2164.2-44.80000108.6P860 E864P860-T862 PolarHBondContact O-N 3.22Å; P860-T862 VanDerWaalsContact O-N 3.16Å; T862-E864 HydrophobicContact CG2-CG 3.61Å; T862-E864 PolarHBondContact O-N 2.93Å
863L40.8Very low40.3Very low160 Ų160150 Ų15084%0.83880%0.803SS**  trans-89.687.4164.2-72.2172000108F861F861-L863 PolarHBondContact O-N 3.25Å
864E33.5Very low40.6Very low175 Ų175151 Ų15182%0.81880%0.803SS**PPolyproline II helixtrans-78.5122.2161-59.4-162.5120.400107.3T862T862-E864 HydrophobicContact CG2-CG 3.61Å; T862-E864 PolarHBondContact O-N 2.93Å
865L41.3Very low41.1Very low164 Ų164147 Ų14786%0.85980%0.797SS**PPolyproline II helixtrans-81126.7174.7-77.5161.3000108.2S867L865-S867 PolarHBondContact O-N 3.42Å
866E36.7Very low40.8Very low185 Ų185147.9 Ų147.986%0.86480%0.8SS**PPolyproline II helixtrans-62.8122.9175-69.7162.1126.100109.6
867S34Very low40.9Very low117 Ų117151.3 Ų151.382%0.81881%0.811SS**  trans-100.384.8176.560.90000109.6L865L865-S867 PolarHBondContact O-N 3.42Å
868E47.4Very low40.8Very low190 Ų190149 Ų14989%0.88881%0.81SS**  trans-84.5112.7168.1-62.9-176.7116.800108.8
869D42.6Very low40.6Very low159 Ų159148.3 Ų148.385%0.8581%0.814SS**  trans-135.387.8-178.7-163.7-16.9000108.1
870D47.9Very low40.6Very low168 Ų168148.9 Ų148.990%0.89882%0.822SS**  trans-154.2134.5-173.9-125.2-34.6000112.2
871G44.8Very low40.5Very low69 Ų69149.4 Ų149.471%0.71183%0.826SS**  trans8292.815400000119.4
872D42.3Very low41Very low154 Ų154143.5 Ų143.582%0.82482%0.82SS**  trans-47.3140.1161.7-63.7-88.4000114.2
873N40.1Very low41.4Very low146 Ų146144.5 Ų144.578%0.78183%0.828SS**  179.4120118.5-100.3-77.6000114.1
874L46.1Very low41.3Very low151 Ų151146 Ų14679%0.79183%0.831SS**  trans13.8155.4142.6-64.4170.5000122.6
875P43Very low41.9Very low106 Ų106145.3 Ų145.369%0.68883%0.831SS**  cis-138.1134.6-2.734.1-12.6000117.6
876R33Very low42Very low245 Ų245142 Ų14293%0.92582%0.819SS**  trans15.9102.3135.9-171.7-171-173.8-1663.2119.1
877L43.5Very low42.3Very low175 Ų175139.5 Ų139.592%0.91682%0.819SS**  trans-143.6148.9156.3-79.5-179.6000112.3
878G38.6Very low42.5Very low77 Ų77139 Ų13979%0.79482%0.816SS**  trans78.477.9155.300000118.9
879T39.8Very low42.2Very low152 Ų152134.2 Ų134.293%0.93380%0.803SS**  trans-75.4121.9160500000110.9
880S42.2Very low42.2Very low116 Ų116133.3 Ų133.381%0.81181%0.806SS**  trans-144.5141.6167.7-165.20000110.5
881P42Very low41.9Very low127 Ų127130.4 Ų130.483%0.82579%0.794SS**  trans-116.8138.6-157.332.1-15.6000115.7
882G47.6Very low41.7Very low70 Ų70135.6 Ų135.672%0.72280%0.8SS**  trans145.6166.6157.200000114.9
883P42Very low41.5Very low128 Ų128137.7 Ų137.783%0.83180%0.802SS**PPolyproline II helixcis-100156-8.336.8-29.8000112.7
884Q38.7Very low41.9Very low193 Ų193138.5 Ų138.590%0.90281%0.805SS**PPolyproline II helixtrans-73.7138.8172.7-74.7176.2-34.800111.6
885I47.2Very low41.5Very low159 Ų159135.1 Ų135.182%0.81579%0.793SS**PPolyproline II helixtrans-86.9122169.9-58.1171.9000108.1
886P43.5Very low41.5Very low95 Ų95138.4 Ų138.462%0.61780%0.797SS**PPolyproline II helixtrans-73.8136173.729.8-33.2000110.9S888P886-S888 PolarHBondContact O-N 2.96Å
887P41.8Very low41.9Very low133 Ų133137.3 Ų137.386%0.86479%0.794SS**  trans-8085.8177.832-34.1000111S889P887-S889 PolarHBondContact O-N 2.86Å
888S39.1Very low42.2Very low106 Ų106132 Ų13274%0.74177%0.771SS**  trans-73.2110.2179.4-58.80000112.5P886P886-S888 PolarHBondContact O-N 2.96Å
889S39.4Very low42.6Very low89 Ų89133.1 Ų133.162%0.62276%0.756SS**  trans-61139.8168.5480000112P887 T891P887-S889 PolarHBondContact O-N 2.86Å; S889-T891 VanDerWaalsContact C-N 3.27Å; S889-T891 PolarHBondContact O-N 3.49Å
890P42.7Very low43Very low140 Ų140129.5 Ų129.591%0.90974%0.741SS**SBendtrans-79.670.6178.433.7-35.8000112
891T43.3Very low43.4Very low107 Ų107126.8 Ų126.866%0.65673%0.726SS**  trans-137.6146.1169.4-46.40000107.9S889S889-T891 VanDerWaalsContact C-N 3.27Å; S889-T891 PolarHBondContact O-N 3.49Å
892E39.6Very low44Very low178 Ų178126 Ų12683%0.83272%0.715SS**  trans63.867.7-177.6-53.3-163.6169.100117
893F38.1Very low44.4Very low198 Ų198129.1 Ų129.187%0.86871%0.708SS**  trans-133.768.7155.1-92.4-74.3000112.4
894L48.3Very low45Very low163 Ų163126.1 Ų126.185%0.85369%0.69SS**  trans-133.2148.3161.4-66.7175.5000107.4
895P38.5Very low45.9Very low80 Ų80119.3 Ų119.352%0.51967%0.667SS.*  cis-133.474-0.238-17.6000112.3Y897 S898P895-Y897 PolarHBondContact O-N 2.68Å; P895-S898 PolarHBondContact O-N 2.69Å
896F42Very low46.4Very low176 Ų176117.5 Ų117.577%0.77266%0.655SS**THydrogen-bonded Turntrans-697.1-168.6-115.3-78.2000117.6
897Y42.3Very low47.1Very low222 Ų222115.5 Ų115.587%0.87165%0.647SS**THydrogen-bonded Turntrans-105-4.6168.2-87.5-83.8000113.9P895P895-Y897 PolarHBondContact O-N 2.68Å
898S49.6Very low47.9Very low63 Ų63115.7 Ų115.744%0.44164%0.636SS.*Hα-helixtrans-87.7-28.5-179.4-59.30000113.7P895 N902P895-S898 PolarHBondContact O-N 2.69Å; S898-N902 PolarHBondContact O-N 3.24Å
899E46.6Very low48.8Very low101 Ų101116.8 Ų116.847%0.47263%0.633SS.*Hα-helixtrans-73.7-38.4-174.8-157.1-167.5139.200112.7A901 N902 K903E899-A901 VanDerWaalsContact C-N 3.32Å; E899-A901 PolarHBondContact O-N 3.2Å; E899-N902 PolarHBondContact O-N 2.86Å; E899-K903 WeakPolarHBondContact O-CB 3.45Å; E899-K903 PolarHBondContact O-N 3.04Å; E899-K903 IonicContact OE1-NZ 3.06Å; E899-K903 PolarHBondContact OE1-NZ 2.89Å
900A48.1Very low49.5Very low75 Ų75121.5 Ų121.562%0.6264%0.637SS**Hα-helixtrans-61.8-37.9-179.800000112.9S904A900-S904 PolarHBondContact O-N 3.48Å; A900-S904 PolarHBondContact O-OG 3.5Å
901A51.7Low50.2Low59 Ų59122.2 Ų122.249%0.48863%0.628SS.*Hα-helixtrans-71.3-38.4174.900000112.3E899 S904 A905E899-A901 VanDerWaalsContact C-N 3.32Å; E899-A901 PolarHBondContact O-N 3.2Å; A901-S904 PolarHBondContact O-OG 2.93Å; A901-A905 WeakPolarHBondContact O-CB 3.4Å; A901-A905 PolarHBondContact O-N 2.96Å; A901-A905 VanDerWaalsContact O-N 3.1Å
902N54.5Low50.6Low111 Ų111125.9 Ų125.959%0.59464%0.635SS**Hα-helixtrans-70.6-31.2175-81.6-14.1000112.6S898 E899 Q906S898-N902 PolarHBondContact O-N 3.24Å; E899-N902 PolarHBondContact O-N 2.86Å; N902-Q906 WeakPolarHBondContact O-CB 3.42Å; N902-Q906 PolarHBondContact O-N 3.42Å
903K54.6Low51.1Low135 Ų135125.4 Ų125.459%0.58763%0.632SS**Hα-helixtrans-69.3-38.3177.3-126.8162.4-168.6149.40112.3E899 A907E899-K903 WeakPolarHBondContact O-CB 3.45Å; E899-K903 PolarHBondContact O-N 3.04Å; E899-K903 IonicContact OE1-NZ 3.06Å; E899-K903 PolarHBondContact OE1-NZ 2.89Å; K903-A907 VanDerWaalsContact O-CB 3.27Å; K903-A907 WeakPolarHBondContact O-CB 3.39Å; K903-A907 PolarHBondContact O-N 2.95Å
904S55.9Low51.4Low65 Ų65125.1 Ų125.146%0.45563%0.631SS.*Hα-helixtrans-70.8-42.4173.157.10000112.2A900 A901 Q906 A907 Q908A900-S904 PolarHBondContact O-N 3.48Å; A900-S904 PolarHBondContact O-OG 3.5Å; A901-S904 PolarHBondContact O-OG 2.93Å; S904-Q906 PolarHBondContact O-N 2.61Å; S904-A907 PolarHBondContact O-N 2.74Å; S904-Q908 WeakPolarHBondContact O-CG 3.43Å; S904-Q908 PolarHBondContact O-N 3.23Å
905A56.2Low51Low50 Ų50123.3 Ų123.341%0.41363%0.627SS.*Hα-helixtrans-61-44.1174.500000112.5A901 Q908 L909A901-A905 WeakPolarHBondContact O-CB 3.4Å; A901-A905 PolarHBondContact O-N 2.96Å; A901-A905 VanDerWaalsContact O-N 3.1Å; A905-Q908 PolarHBondContact O-N 3.09Å; A905-L909 PolarHBondContact O-N 2.99Å
906Q58.4Low51Low122 Ų122127.9 Ų127.957%0.5764%0.642SS**Hα-helixtrans-73.7-28.5-179.8-164.7176.595.500112.8N902 S904 R910N902-Q906 WeakPolarHBondContact O-CB 3.42Å; N902-Q906 PolarHBondContact O-N 3.42Å; S904-Q906 PolarHBondContact O-N 2.61Å; Q906-R910 PolarHBondContact O-N 3.4Å
907A58.5Low50.7Low53 Ų53126.3 Ų126.344%0.43864%0.64SS.*Hα-helixtrans-65.5-44.716900000111.7K903 S904 L909 R910 Q911K903-A907 VanDerWaalsContact O-CB 3.27Å; K903-A907 WeakPolarHBondContact O-CB 3.39Å; K903-A907 PolarHBondContact O-N 2.95Å; S904-A907 PolarHBondContact O-N 2.74Å; A907-L909 VanDerWaalsContact C-N 3.33Å; A907-L909 PolarHBondContact O-N 3.46Å; A907-R910 PolarHBondContact O-N 2.97Å; A907-Q911 PolarHBondContact O-N 2.94Å
908Q58.9Low50.5Low137 Ų137121.8 Ų121.864%0.6464%0.636SS**Hα-helixtrans-65.8-34.6175.3-70.5-177.85.200112.4S904 A905 K912S904-Q908 WeakPolarHBondContact O-CG 3.43Å; S904-Q908 PolarHBondContact O-N 3.23Å; A905-Q908 PolarHBondContact O-N 3.09Å; Q908-K912 PolarHBondContact O-N 3.1Å
909L58.5Low49.9Very low128 Ų128124.8 Ų124.867%0.6765%0.654SS**Hα-helixtrans-66.5-41173.2-134.480.4000111.9A905 A907 K912 H913A905-L909 PolarHBondContact O-N 2.99Å; A907-L909 VanDerWaalsContact C-N 3.33Å; A907-L909 PolarHBondContact O-N 3.46Å; L909-K912 PolarHBondContact O-N 2.72Å; L909-H913 PolarHBondContact O-N 3.35Å
910R53.9Low49.1Very low189 Ų189131 Ų13171%0.71367%0.673SS**Hα-helixtrans-66-38.1175.4-90.6-172.8153127.8-2.4113Q906 A907 K912 H913Q906-R910 PolarHBondContact O-N 3.4Å; A907-R910 PolarHBondContact O-N 2.97Å; R910-K912 PolarHBondContact O-N 3.29Å; R910-H913 PolarHBondContact O-N 2.79Å; R910-H913 VanDerWaalsContact O-N 3.13Å
911Q56.5Low48.7Very low154 Ų154134.7 Ų134.772%0.7268%0.681SS**Hα-helixtrans-67-19.6173.9-75.7-175.6-25.300113.7A907A907-Q911 PolarHBondContact O-N 2.94Å
912K51.7Low48Very low184 Ų184139.7 Ų139.780%0.869%0.694SS**THydrogen-bonded Turntrans-89.3-3.9171.9-83.9-174.8173.1177.90114.9Q908 L909 R910Q908-K912 PolarHBondContact O-N 3.1Å; L909-K912 PolarHBondContact O-N 2.72Å; R910-K912 PolarHBondContact O-N 3.29Å
913H50.1Low47.1Very low168 Ų168141 Ų14178%0.77870%0.701SS**SBendtrans-123.822.4-175.2-149.9-58.9000113.3L909 R910L909-H913 PolarHBondContact O-N 3.35Å; R910-H913 PolarHBondContact O-N 2.79Å; R910-H913 VanDerWaalsContact O-N 3.13Å
914F43.6Very low46.3Very low193 Ų193140.6 Ų140.685%0.84671%0.71SS**SBendtrans-131.322.9176.7-149.7-98.5000113
915T41.3Very low45.7Very low124 Ų124142.4 Ų142.476%0.76172%0.72SS**SBendtrans-125.136.8-178.4-36.40000111.6
916E39Very low44.8Very low177 Ų177146.6 Ų146.683%0.82774%0.735SS**  trans-151.2157168.1-142.8172.2138.800109.9
917L35.2Very low44.1Very low142 Ų142144.6 Ų144.674%0.74374%0.735SS**  trans74.680.4175.6-51.3-179.4000119.3
918T37.3Very low43.3Very low128 Ų128149.1 Ų149.179%0.78575%0.752SS**  trans70.5165.3133.632.20000119.4
919P37.5Very low42.6Very low126 Ų126147.5 Ų147.582%0.81875%0.747SS**  cis-122.7167.115.940-24.1000118.8
920R30.4Very low41.7Very low232 Ų232151.9 Ų151.988%0.87576%0.755SS**  trans-68.1152.1172.2-56.7164.4164.6172.5-7.6112.5
921I38.7Very low41Very low151 Ų151145.8 Ų145.877%0.77475%0.751SS**  trans-154.1117.3130.5-60.2-166.7000110.2
922H37.9Very low40.3Very low164 Ų164145 Ų14576%0.75976%0.756SS**  trans59.7155.6158.4-68.539.8000118.3
923N35.7Very low39.4Very low140 Ų140143.4 Ų143.475%0.74976%0.757SS**  cis-142158.71.7-118.2-11.7000111.7
924T36.6Very low39Very low125 Ų125140.6 Ų140.677%0.76776%0.756SS**  trans-94-174.9175.246.70000111.1
925P44.1Very low38.8Very low103 Ų103138 Ų13867%0.66975%0.751SS**  cis-120.8-150.1-0.239.3-18.8000111.8
926D36.8Very low38.5Very low138 Ų138138.6 Ų138.674%0.73875%0.749SS**  cis-163.41658-128.1-42.6000107
927S43.3Very low38.3Very low80 Ų80135.7 Ų135.756%0.55975%0.749SS**  cis-152-1761.1-56.30000110.1
928D43.5Very low38.1Very low148 Ų148134.5 Ų134.579%0.79175%0.752SS**  trans39.7138.4137-61-7.2000122.2
929D42.2Very low38.2Very low103 Ų103134.7 Ų134.755%0.55176%0.756SS**  cis-160.4164.73-147.3-21000113
930R40.9Very low37.8Very low221 Ų221134.2 Ų134.283%0.83475%0.754SS**  trans24.8139.2159.1-80.4156.5-110.3-172.53.2122
931G38.4Very low37.8Very low60 Ų60130.8 Ų130.862%0.61975%0.75SS**  cis160.3176.8-1.200000114.4
932T41.6Very low37.4Very low137 Ų137129.4 Ų129.484%0.8475%0.749SS**  trans60.6126.6171.956.20000118.4
933N33.9Very low37.1Very low152 Ų152128.9 Ų128.981%0.81375%0.751SS**  cis95.514936.1-78.3-0.9000115
934S40.9Very low37Very low108 Ų108127.6 Ų127.676%0.75575%0.748SS**  trans69.5145.6175.669.40000116.9
935D39.4Very low36.5Very low138 Ų138129 Ų12974%0.73875%0.751SS**  cis-156.1158.3-14.4-117.1-37.5000115
936N34.9Very low35.9Very low137 Ų137134.9 Ų134.973%0.73376%0.76SS**  trans7.2149.9156.8-74.5-66000125.3
937S36Very low35.5Very low117 Ų117135.8 Ų135.882%0.81876%0.759SS**  trans93.8139.9142.477.30000121.4
938S30.5Very low34.9Very low116 Ų116142.5 Ų142.581%0.81177%0.772SS**  trans-96.9161.9177.4-41.80000111.9
939P39.5Very low34.3Very low133 Ų133139 Ų13986%0.86476%0.759SS**  -135.7-177.9124.838.5-28.7000113.6
940C29.7Very low33.7Very low116 Ų116141.9 Ų141.978%0.78478%0.775SS**  trans-107.2167.1-173-163.90000112.8
941M30Very low33.5Very low160 Ų160136.3 Ų136.379%0.78876%0.761SS**  trans87.3128.6163.1-61.7-65.2-97.100120.4
942T30.6Very low33.1Very low122 Ų122145.3 Ų145.375%0.74878%0.776SS**  trans87.4138.5150.31.90000121.1
943L30.4Very low32.6Very low153 Ų153144.1 Ų144.180%0.80176%0.764SS**  trans79.9121.1155.6-64.1179.3000121.1
944V33.3Very low32.5Very low113 Ų113144 Ų14469%0.68576%0.764SS**  trans82.8103.8132.6175.40000119.3
945N27.5Very low31.8Very low154 Ų154143.9 Ų143.982%0.82476%0.761SS**  trans69.1159.3143.3-67.6-10.4000121.5
946R31.6Very low31.4Very low227 Ų227144.1 Ų144.186%0.85776%0.758SS**  trans84.478.6151.7-148.3169-152.8149.96.8118.7
947E27.3Very low31.2Very low157 Ų157144.8 Ų144.873%0.73476%0.76SS**  32.496.3108.7-169.5-154.514300117
948R30.3Very low31Very low221 Ų221147.7 Ų147.783%0.83476%0.758SS**  -168.2137.9124.2-95.7163.5176.1-134.4-4.8107
949S30.7Very low31.1Very low74 Ų74147.1 Ų147.152%0.51775%0.754SS.*  cis79.483.643.2-51.20000113.6I951S949-I951 WeakPolarHBondContact O-CD1 3.38Å
950D30.8Very low30.7Very low164 Ų164147.8 Ų147.888%0.87775%0.75SS**  trans-118108144.9-80.3-52.1000106.6
951I37.3Very low30.9Very low104 Ų104150 Ų15053%0.53375%0.754SS.*  cis65.296.443-48.5177.6000111.9S949 N953S949-I951 WeakPolarHBondContact O-CD1 3.38Å; I951-N953 HydrophobicContact CG2-CB 3.98Å; I951-N953 WeakPolarHBondContact CG2-ND2 3.38Å
952R29.2Very low30.8Very low249 Ų249151.7 Ų151.794%0.9476%0.757SS**  trans-113.880.7139.4-168175-64.9-172.41.4109.2
953N31.9Very low30.9Very low111 Ų111150 Ų15059%0.59476%0.756SS**  trans-52.8149156.6-72.7-21.5000109I951I951-N953 HydrophobicContact CG2-CB 3.98Å; I951-N953 WeakPolarHBondContact CG2-ND2 3.38Å
954N29.8Very low31.1Very low150 Ų150148.3 Ų148.380%0.80275%0.752SS**  trans-121.153.3151.8-165.135.6000110.4H956N954-H956 VanDerWaalsContact C-N 3.35Å; N954-H956 PolarHBondContact O-N 2.66Å
955C28.3Very low30.9Very low105 Ų105148.8 Ų148.871%0.70976%0.755SS**  trans-82.683.5165.7-58.40000107.8I957C955-I957 PolarHBondContact O-N 3.45Å; C955-I957 VanDerWaalsContact O-N 3.14Å
956H29.7Very low31.2Very low143 Ų143146.1 Ų146.166%0.66275%0.749SS**  trans-8778.5178.3-164.458.9000111N954N954-H956 VanDerWaalsContact C-N 3.35Å; N954-H956 PolarHBondContact O-N 2.66Å
957I31Very low31Very low152 Ų152143 Ų14378%0.77975%0.746SS**PPolyproline II helixtrans-64.9129.5156-66.4175.7000106.5C955C955-I957 PolarHBondContact O-N 3.45Å; C955-I957 VanDerWaalsContact O-N 3.14Å
958K31.6Very low31.3Very low178 Ų178141.5 Ų141.577%0.77475%0.748SS**PPolyproline II helixtrans-66.6143.7174.5-79.4-172.8173.4-175.80110.3
959S32Very low31.1Very low104 Ų104138.2 Ų138.273%0.72775%0.747SS**PPolyproline II helixtrans-49.7146.5-177.6-45.60000113.8
960N31.2Very low31.5Very low147 Ų147139.7 Ų139.779%0.78675%0.754SS**PPolyproline II helixtrans-64.4134.2150.3-81.1-0.8000108.6
961D33.7Very low31.4Very low163 Ų163137.6 Ų137.687%0.87275%0.747SS**PPolyproline II helixtrans-69.8135151.1-67.1-59000108.3
962F28.4Very low31.2Very low194 Ų194137.2 Ų137.285%0.85175%0.754SS**  trans-129101.3173.4-157.8-82.7000111.1
963A33.8Very low31.5Very low87 Ų87133.2 Ų133.272%0.71975%0.746SS**  trans-148.7133.4172.600000105.6
964T33.7Very low31.7Very low118 Ų118132.1 Ų132.172%0.72475%0.747SS**  cis-147.2169.213.1-56.40000110
965T29.4Very low32Very low122 Ų122131.8 Ų131.875%0.74875%0.745SS**  trans-34.1154.4154-3.50000113.1
966S32.9Very low32.4Very low98 Ų98134.5 Ų134.569%0.68575%0.747SS**  cis-169.1151.330.6550000116
967M28.6Very low32.5Very low163 Ų163132.8 Ų132.880%0.80375%0.747SS**  trans51.3142.5134-65.3-63.3170.300124.3
968T34Very low32.7Very low124 Ų124132.6 Ų132.676%0.76175%0.746SS**  trans65.9103.8149.447.30000122
969N26.1Very low32.5Very low153 Ų153129.4 Ų129.482%0.81875%0.747SS**  33.6154.2105.3-91.811.1000121.1
970P39Very low33Very low104 Ų104129.9 Ų129.968%0.67575%0.747SS**  cis-143.2-154.1-37.234.7-11.4000112.9
971V28.8Very low32.7Very low120 Ų120128.4 Ų128.473%0.72775%0.747SS**  trans92.9102.6158.4-167.80000119.7
972S32.1Very low32.4Very low97 Ų97125.8 Ų125.868%0.67874%0.742SS**  trans62.3161.9143.7-51.60000120.1
973H35.1Very low32.5Very low165 Ų165121.4 Ų121.476%0.76474%0.735SS**  cis-148.6143.216-122.5-67.4000111.3
974S36.8Very low32.4Very low88 Ų88123.7 Ų123.762%0.61574%0.735SS**  trans43.5144.8148.755.70000121.9
975D36Very low32.2Very low143 Ų143121.8 Ų121.877%0.76573%0.726SS**  cis-172.6176.7-13.2-93.4-46.5000105.3
976E36.1Very low32.3Very low162 Ų162122.8 Ų122.876%0.75773%0.727SS**  cis-113.3-176.79.3-76.5-166.97500112
977V32.4Very low32.4Very low107 Ų107123.7 Ų123.765%0.64872%0.724SS**  cis64.2127.343-133.20000113.2
978L34Very low32.5Very low147 Ų147126.1 Ų126.177%0.7773%0.725SS**  cis-114.5167.614.1-89.477.4000115.6
979S28.9Very low32.4Very low112 Ų112125.5 Ų125.578%0.78372%0.721SS**  trans-131.4-144.1158-58.90000109.7
980P41.7Very low32.7Very low113 Ų113125.2 Ų125.273%0.73472%0.719SS**  trans-116.3-172.7-135.834-12.8000116
981C24.6Very low32.4Very low117 Ų117125.3 Ų125.379%0.79172%0.717SS**  trans82.2158.4163.7-60.30000119.5
982S27.4Very low32.5Very low108 Ų108126 Ų12676%0.75572%0.715SS**  trans96142161.3-380000118.3
983S30.5Very low32.7Very low102 Ų102128.1 Ų128.171%0.71372%0.718SS**  trans68.9151.1147.3-68.80000119.7
984D32.3Very low32.8Very low134 Ų134125.6 Ų125.672%0.71771%0.711SS**  cis-154.9157.7-16.5-121.5-46.7000115.1
985S29.8Very low32.8Very low78 Ų78127.2 Ų127.255%0.54571%0.712SS.*  trans27.3132.4144.580.50000124.7
986N31.3Very low33Very low143 Ų143127.7 Ų127.777%0.76571%0.714SS**  79.8154124.9-67.3-13.2000124.4
987D34.2Very low33.2Very low117 Ų117123.1 Ų123.163%0.62671%0.71SS**  trans77.3119.8161.1-68.5-40.1000118.1
988R31Very low33.6Very low215 Ų215126.4 Ų126.481%0.81172%0.719SS**  69.913667.3-70.3-171-171.2151.8-7.8111.3
989T32.1Very low34Very low110 Ų110124 Ų12468%0.67571%0.709SS**  cis-166.8150.113.12.10000110.7
990L31.9Very low34.4Very low148 Ų148124.8 Ų124.878%0.77571%0.705SS**  trans62171.5153.2-58.9170000116
991T33.9Very low34.5Very low106 Ų106125 Ų12565%0.6571%0.705SS**  cis-153129.4-0.6-1.50000106.4
992I31.2Very low35.3Very low134 Ų134125.1 Ų125.169%0.68770%0.704SS**  74.7144.695.7-68.2-175.8000115.8
993L34.9Very low36.1Very low141 Ų141125.9 Ų125.974%0.73871%0.706SS**  trans74.1140.6168.4-9834.7000116.9
994D38.3Very low36.7Very low113 Ų113128 Ų12860%0.60471%0.706SS**  cis-168.2154.2-9.2-133.69.9000114.7
995N36.9Very low37.5Very low121 Ų121126.9 Ų126.965%0.64771%0.707SS**  trans56.8158142.2-72.1-24.7000122.5
996L39.5Very low38Very low154 Ų154130.3 Ų130.381%0.80672%0.719SS**  cis-162.8147.9-6.8-119.7166.1000112.5
997G39.9Very low38.3Very low65 Ų65127.2 Ų127.267%0.6772%0.721SS**  trans70.9170.9158.200000119
998E40.9Very low38.3Very low177 Ų177130.2 Ų130.283%0.82774%0.736SS**  cis-178.4161.2-17.8-94.8-127.7110.700107.8
999V42.6Very low38.7Very low95 Ų95124 Ų12458%0.57673%0.73SS**  cis-171.6169-21.766.40000109.9
1000N37.2Very low39.1Very low130 Ų130126.6 Ų126.670%0.69574%0.74SS**  trans73.1135170.8-67-35.6000118.9
1001T43.9Very low39.2Very low118 Ų118124.3 Ų124.372%0.72474%0.742SS**  cis100.8152.720.468.70000115.3
1002P40.9Very low39.4Very low119 Ų119125.3 Ų125.377%0.77375%0.751SS**  cis-131.3-129.4-27.935.1-10.7000114.3
1003P45.8Very low39.6Very low123 Ų123124.3 Ų124.380%0.79976%0.756SS**  -135.9-163.8-127.143.3-18.9000119.2
1004M43Very low39.6Very low147 Ų147123.9 Ų123.972%0.72476%0.762SS**  trans-64.8166.5-176.8-157.2-176.377.500116.7
1005P48.5Very low39.4Very low111 Ų111123.7 Ų123.772%0.72177%0.769SS**  -148.5179.7113.842.3-27.1000117.3
1006D39.3Very low39.3Very low150 Ų150126.8 Ų126.880%0.80278%0.78SS**  trans-66.3166.2-165.1-43.9-75.1000119.7
1007G39.1Very low39.3Very low78 Ų78126.6 Ų126.680%0.80478%0.784SS**  trans-174.5134.8165.900000113.4
1008L33.4Very low39.2Very low179 Ų179130.7 Ų130.794%0.93779%0.789SS**  trans-104.3159.9-171.7-74.6170.2000114.8
1009A38.9Very low38.9Very low85 Ų85131.2 Ų131.270%0.70279%0.789SS**  trans100.8145.4150.300000120.6
1010N40.3Very low39Very low165 Ų165133.6 Ų133.688%0.88280%0.804SS**  trans70.1116.2166.1-59.5-16.3000119
1011A34.8Very low39.1Very low99 Ų99130.9 Ų130.982%0.81880%0.795SS**PPolyproline II helixtrans-103149170.200000111.7
1012P39Very low39.1Very low127 Ų127129.6 Ų129.683%0.82579%0.791SS**PPolyproline II helixtrans-100.7159.5162.936.2-29.9000112.8
1013S34Very low39.1Very low114 Ų114131.8 Ų131.880%0.79779%0.793SS**PPolyproline II helixtrans-70.4159.2-175-75.40000115.6S1015S1013-S1015 PolarHBondContact O-N 3.42Å
1014P36.4Very low39.3Very low132 Ų132130.2 Ų130.286%0.85778%0.781SS**  trans-77.3108-17630.9-35.8000113.6
1015S32.4Very low39.7Very low109 Ų109130.9 Ų130.976%0.76278%0.775SS**  trans-133.2154.4160.5-720000108.7S1013S1013-S1015 PolarHBondContact O-N 3.42Å
1016E36Very low39.8Very low186 Ų186133 Ų13387%0.86977%0.773SS**  trans64.873.7173.1-52.3-162.8151.700118.4
1017V39.4Very low40.3Very low149 Ų149134.6 Ų134.690%0.90377%0.768SS**  trans-130.382148.4-171.40000110.3
1018I37Very low41.1Very low152 Ų152135.5 Ų135.578%0.77975%0.751SS**  trans-111.9112.3172.1-57.9173.9000108.8
1019K36Very low42Very low187 Ų187133.3 Ų133.381%0.81374%0.736SS**  trans163.2110.5147.7-89.2146-162.5165.10112.1
1020T44.1Very low42.5Very low145 Ų145135 Ų13589%0.8973%0.733SS**  trans15969.3153.338.90000108.7
1021S39.6Very low43Very low74 Ų74132.7 Ų132.752%0.51772%0.717SS.*  cis66.670.549.6-145.90000114.8
1022S43.7Very low43.7Very low91 Ų91135 Ų13564%0.63671%0.71SS**SBendtrans-144.6-56.6157.463.10000111.7V1024S1022-V1024 PolarHBondContact O-N 3.18Å
1023M40.1Very low43.8Very low165 Ų165136.9 Ų136.981%0.81371%0.708SS**THydrogen-bonded Turntrans-69-25.1-176.9-68.5-167-71.800115.1
1024V51.1Low44.3Very low89 Ų89138.7 Ų138.754%0.53971%0.708SS.*THydrogen-bonded Turntrans-69.2-45-176.8-175.80000111.5S1022 K1026 R1027 E1028S1022-V1024 PolarHBondContact O-N 3.18Å; V1024-K1026 VanDerWaalsContact C-N 3.29Å; V1024-K1026 PolarHBondContact O-N 2.72Å; V1024-R1027 WeakPolarHBondContact O-CA 3.39Å; V1024-R1027 WeakPolarHBondContact O-CB 3.5Å; V1024-R1027 PolarHBondContact O-N 3.03Å; V1024-E1028 HydrophobicContact CG1-CG 4.39Å; V1024-E1028 PolarHBondContact O-N 3.23Å; V1024-E1028 VanDerWaalsContact O-N 3.12Å
1025R51Low44.5Very low161 Ų161136.3 Ų136.361%0.60870%0.695SS**Hα-helixtrans-58.1-38.9-179.7-70-174.8-174.7162.23.2113.1R1027 E1028 E1029R1025-R1027 PolarHBondContact O-N 3.3Å; R1025-E1028 WeakPolarHBondContact CA-OE2 3.19Å; R1025-E1028 PolarHBondContact O-N 3.25Å; R1025-E1029 PolarHBondContact O-N 2.93Å
1026K50.4Low45.2Very low156 Ų156137 Ų13768%0.67869%0.694SS**Hα-helixtrans-69.5-13.2178.8-159.5166.1-173.2174.10113.4V1024V1024-K1026 VanDerWaalsContact C-N 3.29Å; V1024-K1026 PolarHBondContact O-N 2.72Å
1027R49.7Very low45.3Very low183 Ų183134 Ų13469%0.69169%0.691SS**Hα-helixtrans-90.8-32.3168.9-167.6174.9-177.7125-0.8112V1024 R1025 Q1031V1024-R1027 WeakPolarHBondContact O-CA 3.39Å; V1024-R1027 WeakPolarHBondContact O-CB 3.5Å; V1024-R1027 PolarHBondContact O-N 3.03Å; R1025-R1027 PolarHBondContact O-N 3.3Å; R1027-Q1031 WeakPolarHBondContact O-CG 3.41Å; R1027-Q1031 PolarHBondContact O-N 3.07Å
1028E55.3Low45.2Very low98 Ų98130 Ų13046%0.45868%0.68SS.*Hα-helixtrans-72.6-41.4176.2-65.8168.5128.700112V1024 R1025 L1030 Q1031 H1032V1024-E1028 HydrophobicContact CG1-CG 4.39Å; V1024-E1028 PolarHBondContact O-N 3.23Å; V1024-E1028 VanDerWaalsContact O-N 3.12Å; R1025-E1028 WeakPolarHBondContact CA-OE2 3.19Å; R1025-E1028 PolarHBondContact O-N 3.25Å; E1028-L1030 PolarHBondContact O-N 3.44Å; E1028-Q1031 PolarHBondContact O-N 3.46Å; E1028-H1032 PolarHBondContact O-N 3.43Å
1029E52.1Low45.6Very low132 Ų132129.3 Ų129.362%0.61769%0.686SS**Hα-helixtrans-57.9-45.5175.3-76.4174.3130.200111.9R1025 Q1031 H1032 E1033R1025-E1029 PolarHBondContact O-N 2.93Å; E1029-Q1031 PolarHBondContact O-N 3.09Å; E1029-H1032 PolarHBondContact O-N 3.13Å; E1029-E1033 PolarHBondContact O-N 3.38Å
1030L50.5Low45.6Very low122 Ų122124.7 Ų124.764%0.63968%0.682SS**Hα-helixtrans-72.4-7.6177-67.5176.2000114E1028E1028-L1030 PolarHBondContact O-N 3.44Å
1031Q49.2Very low45.2Very low116 Ų116126.2 Ų126.254%0.54269%0.685SS.*Hα-helixtrans-99.7-24.9170.8-72.4-175.3-34.600112.4R1027 E1028 E1029 S1035R1027-Q1031 WeakPolarHBondContact O-CG 3.41Å; R1027-Q1031 PolarHBondContact O-N 3.07Å; E1028-Q1031 PolarHBondContact O-N 3.46Å; E1029-Q1031 PolarHBondContact O-N 3.09Å; Q1031-S1035 WeakPolarHBondContact O-CB 3.33Å; Q1031-S1035 PolarHBondContact O-OG 3.16Å
1032H49.5Very low45.1Very low146 Ų146126.4 Ų126.468%0.67670%0.698SS**Hα-helixtrans-74.5-39.8173.4-95.8-79.7000113.3E1028 E1029 L1034 S1035E1028-H1032 PolarHBondContact O-N 3.43Å; E1029-H1032 PolarHBondContact O-N 3.13Å; H1032-L1034 PolarHBondContact O-N 3.15Å; H1032-L1034 VanDerWaalsContact O-N 3.13Å; H1032-S1035 PolarHBondContact O-N 3.31Å; H1032-S1035 VanDerWaalsContact O-N 3.09Å
1033E42.7Very low44.5Very low168 Ų168127.8 Ų127.879%0.78571%0.708SS**THydrogen-bonded Turntrans-61.1-20.4176.3-78.2-76.696.100113.8E1029E1029-E1033 PolarHBondContact O-N 3.38Å
1034L44Very low44.2Very low151 Ų151131.5 Ų131.579%0.79171%0.713SS**THydrogen-bonded Turntrans-99.84.7179-74.7168.2000114H1032H1032-L1034 PolarHBondContact O-N 3.15Å; H1032-L1034 VanDerWaalsContact O-N 3.13Å
1035S39.6Very low43.3Very low83 Ų83132.5 Ų132.558%0.5872%0.724SS**  trans-126.843.9-166.2-59.70000114.3Q1031 H1032 P1037Q1031-S1035 WeakPolarHBondContact O-CB 3.33Å; Q1031-S1035 PolarHBondContact O-OG 3.16Å; H1032-S1035 PolarHBondContact O-N 3.31Å; H1032-S1035 VanDerWaalsContact O-N 3.09Å; S1035-P1037 WeakPolarHBondContact O-CD 3.41Å
1036T48.3Very low42.7Very low123 Ų123130.1 Ų130.176%0.75573%0.729SS**  trans-107.8104177.5-55.90000112.1
1037P38.6Very low41.9Very low123 Ų123127.9 Ų127.980%0.79973%0.733SS**PPolyproline II helixtrans-73.7128.2167.930.3-32.2000110.3S1035S1035-P1037 WeakPolarHBondContact O-CD 3.41Å
1038G37.2Very low41Very low66 Ų66125.2 Ų125.268%0.6874%0.741SS**PPolyproline II helixtrans-85.4173.5-174.500000115.3
1039P45.2Very low40.2Very low137 Ų137126.7 Ų126.789%0.8976%0.759SS**PPolyproline II helixtrans-84.3142.2172.434.3-32.6000111.7
1040A35.4Very low39.3Very low90 Ų90126 Ų12674%0.74477%0.769SS**  trans-113126.4168.600000109.9
1041D35.4Very low38.6Very low177 Ų177128 Ų12895%0.94778%0.78SS**  trans162.9154.1147.6-91.3-24.4000110
1042G37Very low37.8Very low77 Ų77128 Ų12879%0.79479%0.793SS**  trans129.77817300000115.1R1044G1042-R1044 PolarHBondContact O-N 3.35Å
1043S31.3Very low37.1Very low120 Ų120124.9 Ų124.984%0.83980%0.8SS**  trans-65.6116.1179.145.80000114.3
1044R34.5Very low36.6Very low243 Ų243122.4 Ų122.492%0.91780%0.802SS**  trans-164116.4153.1-119.6174.1178.5-170.4-2.1115.4G1042G1042-R1044 PolarHBondContact O-N 3.35Å
1045S31.5Very low36.1Very low111 Ų111122.3 Ų122.378%0.77681%0.807SS**  trans-78.6172.4151.8-44.80000109.3
1046P38.5Very low35.7Very low111 Ų111125 Ų12572%0.72181%0.811SS**  cis-142.9-161.612.642.9-21.9000115.8
1047S35.3Very low34.9Very low108 Ų108125 Ų12576%0.75581%0.814SS**  trans70.9117.9152.753.20000120.1
1048C29Very low34.6Very low127 Ų127123.6 Ų123.686%0.85881%0.807SS**  trans-92.1153162-51.10000110.9
1049P40Very low34.4Very low129 Ų129126.5 Ų126.584%0.83882%0.817SS**  trans-106.1103.3153.433.7-23.8000110
1050S32.6Very low33.7Very low119 Ų119125.5 Ų125.583%0.83281%0.814SS**  trans-75.8131.7164.655.40000109.9
1051N35Very low33.8Very low162 Ų162125 Ų12587%0.86681%0.81SS**  trans-138147.5159.5-158.810.9000110.4
1052S34Very low33.5Very low117 Ų117124 Ų12482%0.81880%0.804SS**  trans-112.5163-166.254.30000112.8
1053G33.3Very low33.6Very low80 Ų80126.7 Ų126.783%0.82581%0.805SS**  trans168.9100.1173.800000112.7
1054S32.3Very low33.6Very low117 Ų117125.8 Ų125.882%0.81880%0.798SS**  trans-98.9147.5177.454.70000112.1
1055V35.1Very low33.7Very low148 Ų148121.6 Ų121.690%0.89779%0.792SS**  trans-137.1143.6164.3-178.10000108.7
1056Q30.2Very low33.8Very low141 Ų141122 Ų12266%0.65979%0.791SS**  trans-103146.2-176.8-56.2170.9-90.800112
1057C32.4Very low33.7Very low121 Ų121120.7 Ų120.782%0.81879%0.789SS**  trans-176.8136.6136.6-91.30000107.4
1058S31.3Very low33.6Very low95 Ų95129.1 Ų129.166%0.66481%0.813SS**  cis91.3112.638.1-64.20000113.1
1059S32.9Very low33.8Very low127 Ų127129.3 Ų129.389%0.88881%0.811SS**  trans64.7159172.774.10000116.1
1060S30Very low33.5Very low116 Ų116129.3 Ų129.381%0.81181%0.809SS**  cis-166.5-177-27.9-171.60000107.9
1061A37.8Very low33.5Very low80 Ų80129.8 Ų129.866%0.66181%0.808SS**  trans71.2140.5-171.800000113.9
1062D30.4Very low33.4Very low154 Ų154127.9 Ų127.982%0.82480%0.804SS**  cis77.6150.238.9-72.9-57.7000114.7
1063V38Very low33.4Very low135 Ų135128.6 Ų128.682%0.81880%0.804SS**  trans73.5103.7-170.6-171.20000111.3
1064S32Very low33.4Very low100 Ų100131.9 Ų131.970%0.69980%0.802SS**  cis72.2143.733-1550000114.3
1065I35.3Very low33.5Very low155 Ų155132.9 Ų132.980%0.79580%0.801SS**  trans71.6141.5177.8-58.6171000114.2
1066T35.4Very low33.4Very low120 Ų120131.8 Ų131.874%0.73679%0.794SS**  cis-168153.2-23.6-89.20000108.6
1067A35.2Very low33.6Very low84 Ų84131 Ų13169%0.69481%0.805SS**  trans63.9114.2162.900000119.9
1068F32.6Very low33.7Very low285 Ų285131.9 Ų131.9100%1.2580%0.804SS**  -129.20103.6-114.3-81.2000109.2

Retrieved 1,068 of 1,068 residues in 184.9 ms (Link to these results)