A0A5K4FBK5_SCHMA Loading...

Spermatogenesis-associated protein 17

AlphaFold DB , UniProt , Accession A0A5K4FBK5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 351 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
1M59Low83.8Confident213 Ų213124.7 Ų124.7100%1.04963%0.633SS**  0-47.90-81.6-70-91.800112.9Q3 S4 L5M1-Q3 PolarHBondContact O-N 3.39Å; M1-S4 PolarHBondContact O-N 3.46Å; M1-L5 PolarHBondContact O-N 3.42Å
2S75.5Confident84.6Confident102 Ų102121.5 Ų121.571%0.71362%0.619SS**Hα-helixtrans-61.4-42.7-177.463.50000114.3S4 L5 L6S2-S4 VanDerWaalsContact C-N 3.32Å; S2-S4 PolarHBondContact O-N 3.32Å; S2-L5 PolarHBondContact O-N 3.11Å; S2-L6 PolarHBondContact O-N 2.95Å; S2-L6 VanDerWaalsContact O-N 3.11Å
3Q76.3Confident85.3Confident162 Ų162121.8 Ų121.876%0.75761%0.609SS**Hα-helixtrans-59-40.3177.7-85.6175.3-33.700112.7M1 L5 L6 E7M1-Q3 PolarHBondContact O-N 3.39Å; Q3-L5 VanDerWaalsContact C-N 3.35Å; Q3-L5 PolarHBondContact O-N 3.37Å; Q3-L6 PolarHBondContact O-N 3.43Å; Q3-E7 WeakPolarHBondContact O-CB 3.37Å; Q3-E7 PolarHBondContact O-N 3.42Å
4S84.7Confident85.9Confident56 Ų56119.7 Ų119.739%0.39260%0.596SS.*Hα-helixtrans-64.4-36.7178.3170.60000113M1 S2 K8M1-S4 PolarHBondContact O-N 3.46Å; S2-S4 VanDerWaalsContact C-N 3.32Å; S2-S4 PolarHBondContact O-N 3.32Å; S4-K8 WeakPolarHBondContact O-CG 3.35Å; S4-K8 PolarHBondContact O-N 3.22Å; S4-K8 VanDerWaalsContact O-N 3.08Å
5L84.1Confident86.5Confident130 Ų130118.7 Ų118.768%0.68159%0.593SS**Hα-helixtrans-72.8-40.5179.1-168.1130.4000111.3M1 S2 Q3 K8 F9M1-L5 PolarHBondContact O-N 3.42Å; S2-L5 PolarHBondContact O-N 3.11Å; Q3-L5 VanDerWaalsContact C-N 3.35Å; Q3-L5 PolarHBondContact O-N 3.37Å; L5-K8 PolarHBondContact O-N 2.89Å; L5-F9 PolarHBondContact O-N 3.17Å
6L85.7Confident87Confident108 Ų108118.9 Ų118.957%0.56559%0.589SS**Hα-helixtrans-61.8-44.6174.1-17565.5000111.2S2 Q3 K8 F9 M10S2-L6 PolarHBondContact O-N 2.95Å; S2-L6 VanDerWaalsContact O-N 3.11Å; Q3-L6 PolarHBondContact O-N 3.43Å; L6-K8 PolarHBondContact O-N 3.08Å; L6-F9 WeakPolarHBondContact O-CB 3.3Å; L6-F9 PolarHBondContact O-N 2.94Å; L6-M10 WeakPolarHBondContact O-CG 3.44Å; L6-M10 PolarHBondContact O-N 3.48Å
7E89.1Confident87.4Confident138 Ų138115.1 Ų115.165%0.64557%0.571SS**Hα-helixtrans-61.9-43.1177.8-169.7173.7-165.600111.9Q3 F9 M10 N11Q3-E7 WeakPolarHBondContact O-CB 3.37Å; Q3-E7 PolarHBondContact O-N 3.42Å; E7-F9 VanDerWaalsContact C-N 3.34Å; E7-F9 PolarHBondContact O-N 3.41Å; E7-M10 PolarHBondContact O-N 3.01Å; E7-N11 VanDerWaalsContact O-CB 3.3Å; E7-N11 WeakPolarHBondContact O-CB 3.47Å; E7-N11 PolarHBondContact O-N 3.01Å
8K89.3Confident87.8Confident150 Ų150114.4 Ų114.465%0.65256%0.564SS**Hα-helixtrans-60.5-41.2172.6-76.7178.7-178-179.60112.6S4 L5 L6 N12S4-K8 WeakPolarHBondContact O-CG 3.35Å; S4-K8 PolarHBondContact O-N 3.22Å; S4-K8 VanDerWaalsContact O-N 3.08Å; L5-K8 PolarHBondContact O-N 2.89Å; L6-K8 PolarHBondContact O-N 3.08Å; K8-N12 WeakPolarHBondContact O-CB 3.35Å; K8-N12 PolarHBondContact O-N 3.44Å
9F91.6Very high88.1Confident132 Ų132114.6 Ų114.658%0.57956%0.563SS**Hα-helixtrans-64.8-48.3177.6178.3-93.3000111.6L5 L6 E7 N11 N12 Y13L5-F9 PolarHBondContact O-N 3.17Å; L6-F9 WeakPolarHBondContact O-CB 3.3Å; L6-F9 PolarHBondContact O-N 2.94Å; E7-F9 VanDerWaalsContact C-N 3.34Å; E7-F9 PolarHBondContact O-N 3.41Å; F9-N11 VanDerWaalsContact C-N 3.32Å; F9-N11 PolarHBondContact O-N 3.41Å; F9-N12 PolarHBondContact O-N 2.88Å; F9-Y13 PolarHBondContact O-N 3.48Å
10M92.9Very high88.3Confident92 Ų92113.6 Ų113.645%0.45356%0.56SS.*Hα-helixtrans-60-43177.7-68.9-57.7-67.300111.3L6 E7 N12 Y13 E14L6-M10 WeakPolarHBondContact O-CG 3.44Å; L6-M10 PolarHBondContact O-N 3.48Å; E7-M10 PolarHBondContact O-N 3.01Å; M10-N12 PolarHBondContact O-N 3.29Å; M10-Y13 PolarHBondContact O-N 3.25Å; M10-E14 WeakPolarHBondContact O-CG 3.33Å; M10-E14 PolarHBondContact O-N 3.48Å
11N93.3Very high88.6Confident89 Ų89115.6 Ų115.648%0.47656%0.562SS.*Hα-helixtrans-65.9-38.6178.4-154.20.5000112E7 F9 E14 L15E7-N11 VanDerWaalsContact O-CB 3.3Å; E7-N11 WeakPolarHBondContact O-CB 3.47Å; E7-N11 PolarHBondContact O-N 3.01Å; F9-N11 VanDerWaalsContact C-N 3.32Å; F9-N11 PolarHBondContact O-N 3.41Å; N11-E14 PolarHBondContact O-N 3.24Å; N11-L15 WeakPolarHBondContact O-CB 3.48Å; N11-L15 WeakPolarHBondContact O-CG 3.09Å; N11-L15 PolarHBondContact O-N 2.99Å
12N93.2Very high90.1Very high86 Ų86114.1 Ų114.146%0.4655%0.545SS..Hα-helixtrans-64.2-43172.7-170.3-52.3000111.8K8 F9 M10 L15 K16K8-N12 WeakPolarHBondContact O-CB 3.35Å; K8-N12 PolarHBondContact O-N 3.44Å; F9-N12 PolarHBondContact O-N 2.88Å; M10-N12 PolarHBondContact O-N 3.29Å; N12-L15 PolarHBondContact O-N 3.45Å; N12-K16 PolarHBondContact O-N 2.88Å; N12-K16 VanDerWaalsContact OD1-CE 3.32Å; N12-K16 WeakPolarHBondContact OD1-CE 3.48Å
13Y94.3Very high90.9Very high126 Ų126112.8 Ų112.849%0.49453%0.53SS..Hα-helixtrans-62.1-44.6176.6-177-101.4000111.9F9 M10 L15 K16 L17F9-Y13 PolarHBondContact O-N 3.48Å; M10-Y13 PolarHBondContact O-N 3.25Å; Y13-L15 VanDerWaalsContact C-N 3.34Å; Y13-L15 PolarHBondContact O-N 2.91Å; Y13-K16 PolarHBondContact O-N 2.94Å; Y13-L17 HydrophobicContact CD1-CD1 3.78Å; Y13-L17 HydrophobicContact CD1-CG 4.25Å; Y13-L17 HydrophobicContact CE1-CD1 3.28Å; Y13-L17 HydrophobicContact CE1-CD2 4.49Å; Y13-L17 HydrophobicContact CE1-CG 3.87Å; Y13-L17 WeakPolarHBondContact O-CG 3.32Å; Y13-L17 PolarHBondContact O-N 3.28Å
14E94.1Very high91.6Very high92 Ų92108.5 Ų108.543%0.4352%0.517SS..Hα-helixtrans-60.8-40.9174-76.9-173.6-167.900112.7M10 N11 L17 K18M10-E14 WeakPolarHBondContact O-CG 3.33Å; M10-E14 PolarHBondContact O-N 3.48Å; N11-E14 PolarHBondContact O-N 3.24Å; E14-L17 PolarHBondContact O-N 3.38Å; E14-K18 WeakPolarHBondContact O-CB 3.26Å; E14-K18 VanDerWaalsContact O-CG 3.26Å; E14-K18 WeakPolarHBondContact O-CG 3.44Å; E14-K18 PolarHBondContact O-N 3.27Å; E14-K18 IonicContact OE2-NZ 3.66Å
15L94.2Very high91.9Very high105 Ų105110.9 Ų110.955%0.5553%0.525SS..Hα-helixtrans-62.5-45.9175.5-76.9169.8000111.5N11 N12 Y13 L17 K18 E19N11-L15 WeakPolarHBondContact O-CB 3.48Å; N11-L15 WeakPolarHBondContact O-CG 3.09Å; N11-L15 PolarHBondContact O-N 2.99Å; N12-L15 PolarHBondContact O-N 3.45Å; Y13-L15 VanDerWaalsContact C-N 3.34Å; Y13-L15 PolarHBondContact O-N 2.91Å; L15-L17 VanDerWaalsContact C-N 3.35Å; L15-L17 PolarHBondContact O-N 3.48Å; L15-K18 PolarHBondContact O-N 2.91Å; L15-E19 WeakPolarHBondContact O-CB 3.5Å; L15-E19 PolarHBondContact O-N 2.89Å
16K94.6Very high92.3Very high122 Ų122109.1 Ų109.153%0.5352%0.52SS..Hα-helixtrans-60.4-43.3174.7-76.8-177.5179.4179.30112N12 Y13 E19 I20N12-K16 PolarHBondContact O-N 2.88Å; N12-K16 VanDerWaalsContact OD1-CE 3.32Å; N12-K16 WeakPolarHBondContact OD1-CE 3.48Å; Y13-K16 PolarHBondContact O-N 2.94Å; K16-E19 PolarHBondContact O-N 3.22Å; K16-I20 VanDerWaalsContact O-CG1 3.29Å; K16-I20 WeakPolarHBondContact O-CG1 3.29Å; K16-I20 PolarHBondContact O-N 3.35Å
17L94Very high92.6Very high54 Ų54110.7 Ų110.728%0.28352%0.519SS..Hα-helixtrans-60.9-47.4175.4-78.5-179.4000111.2Y13 E14 L15 E19 I20 Y21Y13-L17 HydrophobicContact CD1-CD1 3.78Å; Y13-L17 HydrophobicContact CD1-CG 4.25Å; Y13-L17 HydrophobicContact CE1-CD1 3.28Å; Y13-L17 HydrophobicContact CE1-CD2 4.49Å; Y13-L17 HydrophobicContact CE1-CG 3.87Å; Y13-L17 WeakPolarHBondContact O-CG 3.32Å; Y13-L17 PolarHBondContact O-N 3.28Å; E14-L17 PolarHBondContact O-N 3.38Å; L15-L17 VanDerWaalsContact C-N 3.35Å; L15-L17 PolarHBondContact O-N 3.48Å; L17-E19 VanDerWaalsContact C-N 3.26Å; L17-E19 PolarHBondContact O-N 2.91Å; L17-I20 PolarHBondContact O-N 3.29Å; L17-Y21 HydrophobicContact CB-CD2 4.49Å; L17-Y21 HydrophobicContact CB-CE2 4.46Å; L17-Y21 WeakPolarHBondContact O-CD2 3.46Å; L17-Y21 PolarHBondContact O-N 2.89Å
18K94.2Very high92.8Very high103 Ų103111.5 Ų111.545%0.44852%0.516SS..Hα-helixtrans-58.5-39.3176.5-74.1167.4-174.4164.40111.7E14 L15 R22E14-K18 WeakPolarHBondContact O-CB 3.26Å; E14-K18 VanDerWaalsContact O-CG 3.26Å; E14-K18 WeakPolarHBondContact O-CG 3.44Å; E14-K18 PolarHBondContact O-N 3.27Å; E14-K18 IonicContact OE2-NZ 3.66Å; L15-K18 PolarHBondContact O-N 2.91Å; K18-R22 WeakPolarHBondContact O-CB 3.23Å; K18-R22 VanDerWaalsContact O-CG 3.23Å; K18-R22 WeakPolarHBondContact O-CG 3.25Å; K18-R22 PolarHBondContact O-N 2.96Å
19E93.5Very high93Very high117 Ų117109.2 Ų109.255%0.54751%0.511SS..Hα-helixtrans-66.4-45.2176.1-170.9176.9-171.500112.2L15 K16 L17 Y21 R22 N23L15-E19 WeakPolarHBondContact O-CB 3.5Å; L15-E19 PolarHBondContact O-N 2.89Å; K16-E19 PolarHBondContact O-N 3.22Å; L17-E19 VanDerWaalsContact C-N 3.26Å; L17-E19 PolarHBondContact O-N 2.91Å; E19-Y21 PolarHBondContact O-N 2.87Å; E19-R22 PolarHBondContact O-N 2.91Å; E19-N23 WeakPolarHBondContact O-CB 3.48Å; E19-N23 VanDerWaalsContact O-CG 3.31Å; E19-N23 PolarHBondContact O-N 3.48Å; E19-N23 PolarHBondContact O-ND2 3.46Å
20I93.3Very high93.2Very high95 Ų95106.6 Ų106.649%0.48751%0.509SS..Hα-helixtrans-58.9-48.4174.5-68.4164.2000110.3K16 L17 R22 N23 C24K16-I20 VanDerWaalsContact O-CG1 3.29Å; K16-I20 WeakPolarHBondContact O-CG1 3.29Å; K16-I20 PolarHBondContact O-N 3.35Å; L17-I20 PolarHBondContact O-N 3.29Å; I20-R22 PolarHBondContact O-N 3.22Å; I20-N23 PolarHBondContact O-N 3.45Å; I20-C24 WeakPolarHBondContact O-CB 3.49Å; I20-C24 PolarHBondContact O-N 3.27Å; I20-C24 PolarHBondContact O-SG 2.82Å
21Y93.4Very high93.3Very high155 Ų155108.4 Ų108.461%0.60852%0.516SS*.Hα-helixtrans-60.8-43.2177.9-79.4-64.8000112.3L17 E19 N23 C24 D25L17-Y21 HydrophobicContact CB-CD2 4.49Å; L17-Y21 HydrophobicContact CB-CE2 4.46Å; L17-Y21 WeakPolarHBondContact O-CD2 3.46Å; L17-Y21 PolarHBondContact O-N 2.89Å; E19-Y21 PolarHBondContact O-N 2.87Å; Y21-N23 VanDerWaalsContact C-N 3.35Å; Y21-N23 PolarHBondContact O-N 3.47Å; Y21-C24 PolarHBondContact O-N 3.36Å; Y21-D25 WeakPolarHBondContact O-CB 3.47Å; Y21-D25 PolarHBondContact O-N 3.3Å
22R92Very high93.5Very high182 Ų182111.3 Ų111.369%0.68752%0.521SS*.Hα-helixtrans-60.1-44.1174.9-76.3172.3-179.1-175.90.5111.7K18 E19 I20 D25 T26K18-R22 WeakPolarHBondContact O-CB 3.23Å; K18-R22 VanDerWaalsContact O-CG 3.23Å; K18-R22 WeakPolarHBondContact O-CG 3.25Å; K18-R22 PolarHBondContact O-N 2.96Å; E19-R22 PolarHBondContact O-N 2.91Å; I20-R22 PolarHBondContact O-N 3.22Å; R22-D25 PolarHBondContact O-N 3.35Å; R22-T26 VanDerWaalsContact O-CG2 3.27Å; R22-T26 WeakPolarHBondContact O-CG2 3.43Å; R22-T26 PolarHBondContact O-N 2.87Å; R22-T26 PolarHBondContact O-OG1 2.85Å
23N91.7Very high93.7Very high75 Ų75110.8 Ų110.840%0.40152%0.519SS..Hα-helixtrans-65.4-43176.9-71-18.8000111.6E19 I20 Y21 D25 T26 Y27E19-N23 WeakPolarHBondContact O-CB 3.48Å; E19-N23 VanDerWaalsContact O-CG 3.31Å; E19-N23 PolarHBondContact O-N 3.48Å; E19-N23 PolarHBondContact O-ND2 3.46Å; I20-N23 PolarHBondContact O-N 3.45Å; Y21-N23 VanDerWaalsContact C-N 3.35Å; Y21-N23 PolarHBondContact O-N 3.47Å; N23-D25 VanDerWaalsContact C-N 3.32Å; N23-D25 PolarHBondContact O-N 3.06Å; N23-T26 WeakPolarHBondContact CA-OG1 3.44Å; N23-T26 PolarHBondContact O-N 3.29Å; N23-T26 PolarHBondContact O-OG1 3.45Å; N23-Y27 HydrophobicContact CB-CE2 4.46Å; N23-Y27 WeakPolarHBondContact O-CD2 3.05Å; N23-Y27 PolarHBondContact O-N 3.31Å
24C90.5Very high93.8Very high71 Ų71107.1 Ų107.148%0.4851%0.514SS..Hα-helixtrans-58.8-45.3173.9-70.40000111.1I20 Y21 Y27 R28I20-C24 WeakPolarHBondContact O-CB 3.49Å; I20-C24 PolarHBondContact O-N 3.27Å; I20-C24 PolarHBondContact O-SG 2.82Å; Y21-C24 PolarHBondContact O-N 3.36Å; C24-Y27 PolarHBondContact O-N 2.95Å; C24-R28 VanDerWaalsContact O-CB 3.25Å; C24-R28 WeakPolarHBondContact O-CB 3.27Å; C24-R28 PolarHBondContact O-N 3.44Å
25D91.4Very high93.9Very high106 Ų106104.8 Ų104.857%0.56751%0.51SS*.Hα-helixtrans-66.2-37.3179.3-86.7-25.6000113.3Y21 R22 N23Y21-D25 WeakPolarHBondContact O-CB 3.47Å; Y21-D25 PolarHBondContact O-N 3.3Å; R22-D25 PolarHBondContact O-N 3.35Å; N23-D25 VanDerWaalsContact C-N 3.32Å; N23-D25 PolarHBondContact O-N 3.06Å
26T91.3Very high94.1Very high94 Ų94102.4 Ų102.458%0.57750%0.5SS*.Hα-helixtrans-68.1-40.7177.156.30000111.9R22 N23R22-T26 VanDerWaalsContact O-CG2 3.27Å; R22-T26 WeakPolarHBondContact O-CG2 3.43Å; R22-T26 PolarHBondContact O-N 2.87Å; R22-T26 PolarHBondContact O-OG1 2.85Å; N23-T26 WeakPolarHBondContact CA-OG1 3.44Å; N23-T26 PolarHBondContact O-N 3.29Å; N23-T26 PolarHBondContact O-OG1 3.45Å
27Y92.6Very high94.3Very high140 Ų140103.9 Ų103.955%0.54951%0.507SS..Hα-helixtrans-81.4-23.5178.9-66.1-61.6000113.8N23 C24 L29 S30 E31N23-Y27 HydrophobicContact CB-CE2 4.46Å; N23-Y27 WeakPolarHBondContact O-CD2 3.05Å; N23-Y27 PolarHBondContact O-N 3.31Å; C24-Y27 PolarHBondContact O-N 2.95Å; Y27-L29 VanDerWaalsContact C-N 3.31Å; Y27-L29 PolarHBondContact O-N 2.93Å; Y27-L29 VanDerWaalsContact O-N 3.15Å; Y27-S30 WeakPolarHBondContact O-CA 3.19Å; Y27-S30 WeakPolarHBondContact O-CB 3.45Å; Y27-S30 PolarHBondContact O-N 2.96Å; Y27-E31 WeakPolarHBondContact O-CG 3.37Å; Y27-E31 PolarHBondContact O-N 2.87Å
28R94Very high94.4Very high156 Ų156106.8 Ų106.859%0.58952%0.521SS*.Hα-helixtrans-48.1-47.5-176.2-173.9179.367.382.51.7113.5C24 Y32C24-R28 VanDerWaalsContact O-CB 3.25Å; C24-R28 WeakPolarHBondContact O-CB 3.27Å; C24-R28 PolarHBondContact O-N 3.44Å; R28-Y32 WeakPolarHBondContact O-CB 3.45Å; R28-Y32 PolarHBondContact O-N 3.15Å
29L93.5Very high94.6Very high102 Ų102106.2 Ų106.253%0.53452%0.52SS..Hα-helixtrans-69.6-38.3-179.7-177.662.8000112Y27 N33Y27-L29 VanDerWaalsContact C-N 3.31Å; Y27-L29 PolarHBondContact O-N 2.93Å; Y27-L29 VanDerWaalsContact O-N 3.15Å; L29-N33 WeakPolarHBondContact O-CB 3.4Å; L29-N33 PolarHBondContact O-N 3.25Å; L29-N33 PolarHBondContact O-ND2 3.34Å; L29-N33 VanDerWaalsContact O-ND2 3.15Å
30S95.1Very high94.8Very high76 Ų76103.2 Ų103.253%0.53152%0.515SS..Hα-helixtrans-65.4-48.4177.7-1730000111.2Y27 N33 A34Y27-S30 WeakPolarHBondContact O-CA 3.19Å; Y27-S30 WeakPolarHBondContact O-CB 3.45Å; Y27-S30 PolarHBondContact O-N 2.96Å; S30-N33 PolarHBondContact O-N 3.44Å; S30-A34 WeakPolarHBondContact O-CB 3.33Å; S30-A34 PolarHBondContact O-N 2.9Å
31E95.6Very high95Very high131 Ų131106.5 Ų106.561%0.61252%0.522SS*.Hα-helixtrans-61.6-44.4176.6-68.5-179158.300111.5Y27 N33 A34 A35Y27-E31 WeakPolarHBondContact O-CG 3.37Å; Y27-E31 PolarHBondContact O-N 2.87Å; E31-N33 PolarHBondContact O-N 2.88Å; E31-A34 PolarHBondContact O-N 3.5Å; E31-A35 WeakPolarHBondContact O-CB 3.43Å; E31-A35 PolarHBondContact O-N 3.29Å
32Y96.4Very high95.2Very high150 Ų150104.8 Ų104.859%0.58852%0.518SS*.Hα-helixtrans-58.4-49174.3174.3-98.1000111.8R28 A34 A35 V36R28-Y32 WeakPolarHBondContact O-CB 3.45Å; R28-Y32 PolarHBondContact O-N 3.15Å; Y32-A34 VanDerWaalsContact C-N 3.35Å; Y32-A34 PolarHBondContact O-N 3.5Å; Y32-A35 PolarHBondContact O-N 3.44Å; Y32-V36 HydrophobicContact CD1-CG2 4.23Å; Y32-V36 HydrophobicContact CD2-CG2 4.41Å; Y32-V36 HydrophobicContact CE1-CG2 3.78Å; Y32-V36 HydrophobicContact CE2-CG2 3.97Å; Y32-V36 WeakPolarHBondContact O-CG2 3.28Å; Y32-V36 PolarHBondContact O-N 3.15Å
33N97.2Very high95.5Very high75 Ų75102.8 Ų102.840%0.40151%0.51SS..Hα-helixtrans-63.6-39.5179-75-28.1000112.3L29 S30 E31 V36 K37L29-N33 WeakPolarHBondContact O-CB 3.4Å; L29-N33 PolarHBondContact O-N 3.25Å; L29-N33 PolarHBondContact O-ND2 3.34Å; L29-N33 VanDerWaalsContact O-ND2 3.15Å; S30-N33 PolarHBondContact O-N 3.44Å; E31-N33 PolarHBondContact O-N 2.88Å; N33-V36 PolarHBondContact O-N 2.89Å; N33-K37 WeakPolarHBondContact O-CG 3.48Å; N33-K37 PolarHBondContact O-N 2.89Å
34A96.8Very high95.8Very high48 Ų48100.1 Ų100.140%0.39750%0.5SS..Hα-helixtrans-61.9-46.3174.200000111.2S30 E31 Y32 V36 K37 I38S30-A34 WeakPolarHBondContact O-CB 3.33Å; S30-A34 PolarHBondContact O-N 2.9Å; E31-A34 PolarHBondContact O-N 3.5Å; Y32-A34 VanDerWaalsContact C-N 3.35Å; Y32-A34 PolarHBondContact O-N 3.5Å; A34-V36 PolarHBondContact O-N 3.36Å; A34-K37 PolarHBondContact O-N 3.48Å; A34-I38 WeakPolarHBondContact O-CG1 3.25Å; A34-I38 PolarHBondContact O-N 3.38Å
35A97.1Very high96.2Very high43 Ų4399.6 Ų99.636%0.35549%0.492SS..Hα-helixtrans-59.9-46.8175.600000111.7E31 Y32 K37 I38 Q39E31-A35 WeakPolarHBondContact O-CB 3.43Å; E31-A35 PolarHBondContact O-N 3.29Å; Y32-A35 PolarHBondContact O-N 3.44Å; A35-K37 VanDerWaalsContact C-N 3.33Å; A35-K37 PolarHBondContact O-N 2.96Å; A35-I38 PolarHBondContact O-N 2.85Å; A35-Q39 VanDerWaalsContact O-CG 3.25Å; A35-Q39 WeakPolarHBondContact O-CG 3.27Å; A35-Q39 PolarHBondContact O-N 3.24Å
36V97.7Very high96.5Very high55 Ų55103.4 Ų103.433%0.33350%0.498SS..Hα-helixtrans-58.9-42.81771710000111.4Y32 N33 A34 Q39 A40Y32-V36 HydrophobicContact CD1-CG2 4.23Å; Y32-V36 HydrophobicContact CD2-CG2 4.41Å; Y32-V36 HydrophobicContact CE1-CG2 3.78Å; Y32-V36 HydrophobicContact CE2-CG2 3.97Å; Y32-V36 WeakPolarHBondContact O-CG2 3.28Å; Y32-V36 PolarHBondContact O-N 3.15Å; N33-V36 PolarHBondContact O-N 2.89Å; A34-V36 PolarHBondContact O-N 3.36Å; V36-Q39 PolarHBondContact O-N 3.39Å; V36-A40 VanDerWaalsContact O-CB 3.27Å; V36-A40 WeakPolarHBondContact O-CB 3.36Å; V36-A40 PolarHBondContact O-N 3.28Å
37K98.1Very high96.8Very high153 Ų153103.8 Ų103.867%0.66550%0.496SS*.Hα-helixtrans-61.4-46.9176-75.6176.8-176.4178.60112.1N33 A34 A35 Q39 A40 W41N33-K37 WeakPolarHBondContact O-CG 3.48Å; N33-K37 PolarHBondContact O-N 2.89Å; A34-K37 PolarHBondContact O-N 3.48Å; A35-K37 VanDerWaalsContact C-N 3.33Å; A35-K37 PolarHBondContact O-N 2.96Å; K37-Q39 VanDerWaalsContact C-N 3.34Å; K37-Q39 PolarHBondContact O-N 2.83Å; K37-A40 PolarHBondContact O-N 2.99Å; K37-W41 WeakPolarHBondContact O-CB 3.35Å; K37-W41 PolarHBondContact O-N 3.06Å
38I97.5Very high97.1Very high115 Ų115102.9 Ų102.959%0.5949%0.492SS*.Hα-helixtrans-60-47177.4-68.4167.2000110.1A34 A35 W41 F42A34-I38 WeakPolarHBondContact O-CG1 3.25Å; A34-I38 PolarHBondContact O-N 3.38Å; A35-I38 PolarHBondContact O-N 2.85Å; I38-W41 PolarHBondContact O-N 3.09Å; I38-F42 WeakPolarHBondContact O-CB 3.18Å; I38-F42 PolarHBondContact O-N 3.45Å
39Q98.2Very high97.3Very high91 Ų9198.9 Ų98.943%0.42549%0.487SS..Hα-helixtrans-65.7-40.7179.5-65177.10.600112.4A35 V36 K37 F42 R43A35-Q39 VanDerWaalsContact O-CG 3.25Å; A35-Q39 WeakPolarHBondContact O-CG 3.27Å; A35-Q39 PolarHBondContact O-N 3.24Å; V36-Q39 PolarHBondContact O-N 3.39Å; K37-Q39 VanDerWaalsContact C-N 3.34Å; K37-Q39 PolarHBondContact O-N 2.83Å; Q39-F42 PolarHBondContact O-N 3.35Å; Q39-R43 WeakPolarHBondContact O-CB 3.37Å; Q39-R43 VanDerWaalsContact O-CG 3.28Å; Q39-R43 WeakPolarHBondContact O-CG 3.37Å; Q39-R43 PolarHBondContact O-N 3.01Å
40A97.6Very high97.5Very high54 Ų54100.7 Ų100.745%0.44649%0.487SS..Hα-helixtrans-63.7-44.2176.800000111.4V36 K37 F42 R43 G44V36-A40 VanDerWaalsContact O-CB 3.27Å; V36-A40 WeakPolarHBondContact O-CB 3.36Å; V36-A40 PolarHBondContact O-N 3.28Å; K37-A40 PolarHBondContact O-N 2.99Å; A40-F42 PolarHBondContact O-N 3.21Å; A40-R43 PolarHBondContact O-N 3.19Å; A40-G44 PolarHBondContact O-N 3.5Å
41W97.8Very high97.7Very high164 Ų164101.9 Ų101.962%0.62149%0.487SS*.Hα-helixtrans-59.7-45.6173.9175.684.2000111.8K37 I38 G44 I45K37-W41 WeakPolarHBondContact O-CB 3.35Å; K37-W41 PolarHBondContact O-N 3.06Å; I38-W41 PolarHBondContact O-N 3.09Å; W41-G44 PolarHBondContact O-N 2.91Å; W41-I45 PolarHBondContact O-N 3.15Å
42F97.6Very high97.8Very high119 Ų119102.9 Ų102.952%0.52249%0.489SS..Hα-helixtrans-63.1-44.4177.9-178.4-101.6000112.9I38 Q39 A40 G44 I45 R46I38-F42 WeakPolarHBondContact O-CB 3.18Å; I38-F42 PolarHBondContact O-N 3.45Å; Q39-F42 PolarHBondContact O-N 3.35Å; A40-F42 PolarHBondContact O-N 3.21Å; F42-G44 VanDerWaalsContact C-N 3.3Å; F42-G44 PolarHBondContact O-N 3.44Å; F42-I45 HydrophobicContact CD2-CG2 4.41Å; F42-I45 WeakPolarHBondContact O-CG2 3.43Å; F42-I45 PolarHBondContact O-N 2.91Å; F42-R46 PolarHBondContact O-N 3.24Å; F42-R46 VanDerWaalsContact O-N 3.15Å
43R98Very high97.9Very high141 Ų141100.4 Ų100.453%0.53249%0.486SS..Hα-helixtrans-60.6-43173.7-71.1174.4-172.7112.15.2110.8Q39 A40 R46 I47Q39-R43 WeakPolarHBondContact O-CB 3.37Å; Q39-R43 VanDerWaalsContact O-CG 3.28Å; Q39-R43 WeakPolarHBondContact O-CG 3.37Å; Q39-R43 PolarHBondContact O-N 3.01Å; A40-R43 PolarHBondContact O-N 3.19Å; R43-R46 PolarHBondContact O-N 3.04Å; R43-I47 WeakPolarHBondContact O-CG1 3.4Å; R43-I47 PolarHBondContact O-N 3.43Å
44G98.3Very high98Very high18 Ų18100.2 Ų100.219%0.18648%0.484CS..Hα-helixtrans-63-45.9177.800000113.5A40 W41 F42 R46 I47 R48A40-G44 PolarHBondContact O-N 3.5Å; W41-G44 PolarHBondContact O-N 2.91Å; F42-G44 VanDerWaalsContact C-N 3.3Å; F42-G44 PolarHBondContact O-N 3.44Å; G44-R46 VanDerWaalsContact C-N 3.35Å; G44-R46 PolarHBondContact O-N 3.14Å; G44-I47 PolarHBondContact O-N 3.08Å; G44-R48 WeakPolarHBondContact O-CG 3.43Å; G44-R48 PolarHBondContact O-N 2.78Å
45I97.9Very high98.1Very high60 Ų60103.6 Ų103.631%0.30849%0.492SS..Hα-helixtrans-64.4-40.9179.6-168.765.2000111.1W41 F42 I47 R48 C49W41-I45 PolarHBondContact O-N 3.15Å; F42-I45 HydrophobicContact CD2-CG2 4.41Å; F42-I45 WeakPolarHBondContact O-CG2 3.43Å; F42-I45 PolarHBondContact O-N 2.91Å; I45-I47 PolarHBondContact O-N 2.85Å; I45-R48 PolarHBondContact O-N 3.41Å; I45-C49 WeakPolarHBondContact O-CB 3.42Å; I45-C49 PolarHBondContact O-N 2.91Å; I45-C49 PolarHBondContact O-SG 3.41Å
46R98.2Very high98.1Very high186 Ų186108.6 Ų108.670%0.70251%0.506SS*.Hα-helixtrans-58.5-48177.1-175.4179.3171.8-169.4-2.4111.9F42 R43 G44 C49 Y50F42-R46 PolarHBondContact O-N 3.24Å; F42-R46 VanDerWaalsContact O-N 3.15Å; R43-R46 PolarHBondContact O-N 3.04Å; G44-R46 VanDerWaalsContact C-N 3.35Å; G44-R46 PolarHBondContact O-N 3.14Å; R46-C49 PolarHBondContact O-N 3.26Å; R46-Y50 PolarHBondContact O-N 2.99Å; R46-Y50 VanDerWaalsContact O-N 3.07Å
47I98Very high98.2Very high103 Ų103108.8 Ų108.853%0.52851%0.509SS..Hα-helixtrans-63.7-46.1178.3-66.5169000110.7R43 G44 I45 C49 Y50 L51R43-I47 WeakPolarHBondContact O-CG1 3.4Å; R43-I47 PolarHBondContact O-N 3.43Å; G44-I47 PolarHBondContact O-N 3.08Å; I45-I47 PolarHBondContact O-N 2.85Å; I47-C49 PolarHBondContact O-N 3.07Å; I47-Y50 PolarHBondContact O-N 3.46Å; I47-L51 HydrophobicContact CG2-CD1 4.06Å; I47-L51 HydrophobicContact CG2-CG 4.34Å; I47-L51 WeakPolarHBondContact O-CG 3.37Å; I47-L51 PolarHBondContact O-N 3.48Å
48R98.5Very high98.2Very high121 Ų121104.8 Ų104.846%0.45750%0.497SS..Hα-helixtrans-61.5-41.8179-72.7-172.6-61.3-91.82112.6G44 I45 Y50 L51 K52G44-R48 WeakPolarHBondContact O-CG 3.43Å; G44-R48 PolarHBondContact O-N 2.78Å; I45-R48 PolarHBondContact O-N 3.41Å; R48-Y50 VanDerWaalsContact C-N 3.34Å; R48-L51 PolarHBondContact O-N 3.48Å; R48-K52 WeakPolarHBondContact O-CG 3.28Å; R48-K52 PolarHBondContact O-N 3.31Å
49C98.4Very high98.2Very high72 Ų72103.4 Ų103.449%0.48649%0.49SS..Hα-helixtrans-61.4-42.7175.2-73.70000111.7I45 R46 I47 K52 L53I45-C49 WeakPolarHBondContact O-CB 3.42Å; I45-C49 PolarHBondContact O-N 2.91Å; I45-C49 PolarHBondContact O-SG 3.41Å; R46-C49 PolarHBondContact O-N 3.26Å; I47-C49 PolarHBondContact O-N 3.07Å; C49-K52 PolarHBondContact O-N 2.9Å; C49-L53 PolarHBondContact O-N 3.45Å; C49-L53 VanDerWaalsContact O-N 3.08Å
50Y98.3Very high98.2Very high140 Ų140102.7 Ų102.755%0.54949%0.493SS..Hα-helixtrans-64.1-44.8176.8179.3-116.4000112.6R46 I47 R48 K52 L53 L54R46-Y50 PolarHBondContact O-N 2.99Å; R46-Y50 VanDerWaalsContact O-N 3.07Å; I47-Y50 PolarHBondContact O-N 3.46Å; R48-Y50 VanDerWaalsContact C-N 3.34Å; Y50-K52 PolarHBondContact O-N 3.3Å; Y50-L53 WeakPolarHBondContact O-CB 3.39Å; Y50-L53 PolarHBondContact O-N 3.01Å; Y50-L53 VanDerWaalsContact O-N 3.16Å; Y50-L54 HydrophobicContact CD1-CD1 4.11Å; Y50-L54 HydrophobicContact CE1-CD1 3.55Å; Y50-L54 HydrophobicContact CE1-CG 4.2Å; Y50-L54 HydrophobicContact CE2-CD1 4.39Å; Y50-L54 HydrophobicContact CE2-CD2 4.18Å; Y50-L54 HydrophobicContact CE2-CG 4.17Å; Y50-L54 PolarHBondContact O-N 3.29Å
51L98.5Very high98.2Very high101 Ų101105.7 Ų105.753%0.52950%0.5SS..Hα-helixtrans-60.6-43.1176.4-69.6175.7000112.2I47 R48 L53 L54 E55I47-L51 HydrophobicContact CG2-CD1 4.06Å; I47-L51 HydrophobicContact CG2-CG 4.34Å; I47-L51 WeakPolarHBondContact O-CG 3.37Å; I47-L51 PolarHBondContact O-N 3.48Å; R48-L51 PolarHBondContact O-N 3.48Å; L51-L53 VanDerWaalsContact C-N 3.29Å; L51-L53 PolarHBondContact O-N 3.42Å; L51-L54 PolarHBondContact O-N 2.99Å; L51-E55 WeakPolarHBondContact O-CB 3.33Å; L51-E55 PolarHBondContact O-N 3.33Å
52K98.4Very high98.3Very high151 Ų151101.9 Ų101.966%0.65749%0.489SS*.Hα-helixtrans-60.3-38.7174.8-75.1-178.6176.9-1730112.6R48 C49 Y50 K56R48-K52 WeakPolarHBondContact O-CG 3.28Å; R48-K52 PolarHBondContact O-N 3.31Å; C49-K52 PolarHBondContact O-N 2.9Å; Y50-K52 PolarHBondContact O-N 3.3Å; K52-K56 WeakPolarHBondContact O-CB 3.46Å; K52-K56 PolarHBondContact O-N 2.79Å
53L98.2Very high98.3Very high98 Ų98103.7 Ų103.751%0.51350%0.497SS..Hα-helixtrans-63.2-48.5175.4177.265000110.9C49 Y50 L51 E55 K56 C57C49-L53 PolarHBondContact O-N 3.45Å; C49-L53 VanDerWaalsContact O-N 3.08Å; Y50-L53 WeakPolarHBondContact O-CB 3.39Å; Y50-L53 PolarHBondContact O-N 3.01Å; Y50-L53 VanDerWaalsContact O-N 3.16Å; L51-L53 VanDerWaalsContact C-N 3.29Å; L51-L53 PolarHBondContact O-N 3.42Å; L53-E55 VanDerWaalsContact C-N 3.32Å; L53-E55 PolarHBondContact O-N 3.48Å; L53-K56 PolarHBondContact O-N 3.48Å; L53-C57 PolarHBondContact O-N 3.2Å; L53-C57 PolarHBondContact O-SG 3.28Å; L53-C57 VanDerWaalsContact O-SG 3.33Å
54L98.6Very high98.3Very high71 Ų71100.9 Ų100.937%0.37250%0.495SS..Hα-helixtrans-59.7-42.2177.7-69.1-179.4000112.2Y50 L51 C57 T58Y50-L54 HydrophobicContact CD1-CD1 4.11Å; Y50-L54 HydrophobicContact CE1-CD1 3.55Å; Y50-L54 HydrophobicContact CE1-CG 4.2Å; Y50-L54 HydrophobicContact CE2-CD1 4.39Å; Y50-L54 HydrophobicContact CE2-CD2 4.18Å; Y50-L54 HydrophobicContact CE2-CG 4.17Å; Y50-L54 PolarHBondContact O-N 3.29Å; L51-L54 PolarHBondContact O-N 2.99Å; L54-C57 PolarHBondContact O-N 2.74Å; L54-T58 WeakPolarHBondContact O-CB 3.39Å; L54-T58 PolarHBondContact O-N 3.49Å; L54-T58 PolarHBondContact O-OG1 3Å
55E98.5Very high98.3Very high120 Ų120107.1 Ų107.156%0.56151%0.513SS*.Hα-helixtrans-60.2-48.4175.8-176.2-179-178.700111L51 L53 C57 T58 I59L51-E55 WeakPolarHBondContact O-CB 3.33Å; L51-E55 PolarHBondContact O-N 3.33Å; L53-E55 VanDerWaalsContact C-N 3.32Å; L53-E55 PolarHBondContact O-N 3.48Å; E55-C57 PolarHBondContact O-N 2.77Å; E55-T58 WeakPolarHBondContact O-CB 3.34Å; E55-T58 PolarHBondContact O-N 2.97Å; E55-I59 HydrophobicContact CG-CD1 3.88Å; E55-I59 WeakPolarHBondContact O-CG1 3.44Å; E55-I59 PolarHBondContact O-N 3.16Å
56K98.5Very high98.3Very high147 Ų147112 Ų11264%0.63953%0.528SS*.Hα-helixtrans-59.4-44.4176.8-174.7-180179.2-179.20112.3K52 L53 T60K52-K56 WeakPolarHBondContact O-CB 3.46Å; K52-K56 PolarHBondContact O-N 2.79Å; L53-K56 PolarHBondContact O-N 3.48Å; K56-T60 WeakPolarHBondContact O-CB 3.25Å; K56-T60 PolarHBondContact O-N 3.08Å; K56-T60 PolarHBondContact O-OG1 3.44Å
57C98.4Very high98.3Very high60 Ų60104.4 Ų104.441%0.40551%0.507SS..Hα-helixtrans-60.9-46.1175-70.10000111.3L53 L54 E55 T60 I61L53-C57 PolarHBondContact O-N 3.2Å; L53-C57 PolarHBondContact O-SG 3.28Å; L53-C57 VanDerWaalsContact O-SG 3.33Å; L54-C57 PolarHBondContact O-N 2.74Å; E55-C57 PolarHBondContact O-N 2.77Å; C57-T60 WeakPolarHBondContact O-CB 3.46Å; C57-T60 PolarHBondContact O-N 3.39Å; C57-I61 WeakPolarHBondContact O-CG1 3.44Å; C57-I61 PolarHBondContact O-N 3.44Å
58T98Very high98.4Very high68 Ų68104.6 Ų104.642%0.41750%0.502SS..Hα-helixtrans-60-49.5178.5-59.60000111.3L54 E55 T60 I61 Q62L54-T58 WeakPolarHBondContact O-CB 3.39Å; L54-T58 PolarHBondContact O-N 3.49Å; L54-T58 PolarHBondContact O-OG1 3Å; E55-T58 WeakPolarHBondContact O-CB 3.34Å; E55-T58 PolarHBondContact O-N 2.97Å; T58-T60 VanDerWaalsContact C-N 3.26Å; T58-T60 PolarHBondContact O-N 3.23Å; T58-I61 PolarHBondContact O-N 3.05Å; T58-Q62 HydrophobicContact CG2-CG 4.28Å; T58-Q62 WeakPolarHBondContact O-CB 3.49Å; T58-Q62 VanDerWaalsContact O-CG 3.25Å; T58-Q62 WeakPolarHBondContact O-CG 3.4Å; T58-Q62 PolarHBondContact O-N 3.44Å
59I98.4Very high98.4Very high86 Ų86101.8 Ų101.844%0.44150%0.495SS..Hα-helixtrans-59-40.4177.6-68.9167.7000110.7E55 Q62 K63E55-I59 HydrophobicContact CG-CD1 3.88Å; E55-I59 WeakPolarHBondContact O-CG1 3.44Å; E55-I59 PolarHBondContact O-N 3.16Å; I59-Q62 PolarHBondContact O-N 2.92Å; I59-K63 WeakPolarHBondContact O-CB 3.47Å; I59-K63 PolarHBondContact O-N 3.42Å
60T98.2Very high98.4Very high77 Ų77100 Ų10047%0.47249%0.49SS..Hα-helixtrans-64-47179-57.80000111.5K56 C57 T58 K63 T64K56-T60 WeakPolarHBondContact O-CB 3.25Å; K56-T60 PolarHBondContact O-N 3.08Å; K56-T60 PolarHBondContact O-OG1 3.44Å; C57-T60 WeakPolarHBondContact O-CB 3.46Å; C57-T60 PolarHBondContact O-N 3.39Å; T58-T60 VanDerWaalsContact C-N 3.26Å; T58-T60 PolarHBondContact O-N 3.23Å; T60-K63 PolarHBondContact O-N 3.05Å; T60-T64 WeakPolarHBondContact O-CB 3.46Å; T60-T64 VanDerWaalsContact O-CG2 3.29Å; T60-T64 WeakPolarHBondContact O-CG2 3.29Å; T60-T64 PolarHBondContact O-N 3.25Å; T60-T64 PolarHBondContact O-OG1 2.94Å
61I98.3Very high98.4Very high117 Ų11799.9 Ų99.960%0.649%0.488SS*.Hα-helixtrans-61.3-47.3176.1-67.6167.1000110.2C57 T58 K63 T64 W65C57-I61 WeakPolarHBondContact O-CG1 3.44Å; C57-I61 PolarHBondContact O-N 3.44Å; T58-I61 PolarHBondContact O-N 3.05Å; I61-K63 PolarHBondContact O-N 2.83Å; I61-T64 WeakPolarHBondContact CA-OG1 3.47Å; I61-T64 PolarHBondContact O-N 3.18Å; I61-T64 PolarHBondContact O-OG1 3.42Å; I61-W65 VanDerWaalsContact O-CB 3.31Å; I61-W65 WeakPolarHBondContact O-CB 3.31Å; I61-W65 PolarHBondContact O-N 3.38Å
62Q98.6Very high98.3Very high84 Ų84101.1 Ų101.139%0.39349%0.489SS..Hα-helixtrans-65.8-40.7-178.5-68.3-179.9-3.600112.6T58 I59 W65 R66T58-Q62 HydrophobicContact CG2-CG 4.28Å; T58-Q62 WeakPolarHBondContact O-CB 3.49Å; T58-Q62 VanDerWaalsContact O-CG 3.25Å; T58-Q62 WeakPolarHBondContact O-CG 3.4Å; T58-Q62 PolarHBondContact O-N 3.44Å; I59-Q62 PolarHBondContact O-N 2.92Å; Q62-W65 PolarHBondContact O-N 3.42Å; Q62-R66 WeakPolarHBondContact O-CG 3.33Å; Q62-R66 PolarHBondContact O-N 3.19Å
63K98.2Very high98.3Very high157 Ų15799.6 Ų99.668%0.68349%0.485SS*.Hα-helixtrans-61.9-47.6176.2177.1-178.4176.9179.70111.2I59 T60 I61 W65 G67I59-K63 WeakPolarHBondContact O-CB 3.47Å; I59-K63 PolarHBondContact O-N 3.42Å; T60-K63 PolarHBondContact O-N 3.05Å; I61-K63 PolarHBondContact O-N 2.83Å; K63-W65 VanDerWaalsContact C-N 3.35Å; K63-G67 PolarHBondContact O-N 2.92Å; K63-G67 VanDerWaalsContact O-N 3.08Å
64T98.2Very high98.3Very high82 Ų82102 Ų10250%0.50349%0.488SS..Hα-helixtrans-64.2-41.1-179.950.80000111.5T60 I61 G67 Y68T60-T64 WeakPolarHBondContact O-CB 3.46Å; T60-T64 VanDerWaalsContact O-CG2 3.29Å; T60-T64 WeakPolarHBondContact O-CG2 3.29Å; T60-T64 PolarHBondContact O-N 3.25Å; T60-T64 PolarHBondContact O-OG1 2.94Å; I61-T64 WeakPolarHBondContact CA-OG1 3.47Å; I61-T64 PolarHBondContact O-N 3.18Å; I61-T64 PolarHBondContact O-OG1 3.42Å; T64-G67 PolarHBondContact O-N 2.85Å; T64-Y68 PolarHBondContact O-N 3.33Å
65W98.3Very high98.3Very high149 Ų149106.8 Ų106.856%0.56450%0.501SS*.Hα-helixtrans-62.5-49.5175.9179.7-115.9000113.3I61 Q62 K63 G67 Y68 I69I61-W65 VanDerWaalsContact O-CB 3.31Å; I61-W65 WeakPolarHBondContact O-CB 3.31Å; I61-W65 PolarHBondContact O-N 3.38Å; Q62-W65 PolarHBondContact O-N 3.42Å; K63-W65 VanDerWaalsContact C-N 3.35Å; W65-G67 VanDerWaalsContact C-N 3.28Å; W65-G67 PolarHBondContact O-N 3.24Å; W65-Y68 AromaticContact CE3-CD1 3.78Å; W65-Y68 HydrophobicContact CE3-CD1 3.78Å; W65-Y68 HydrophobicContact CE3-CE1 4.43Å; W65-Y68 HydrophobicContact CH2-CD1 4.22Å; W65-Y68 HydrophobicContact CH2-CE1 4.18Å; W65-Y68 AromaticContact CZ3-CD1 3.52Å; W65-Y68 HydrophobicContact CZ3-CD1 3.52Å; W65-Y68 AromaticContact CZ3-CE1 3.71Å; W65-Y68 HydrophobicContact CZ3-CE1 3.71Å; W65-Y68 WeakPolarHBondContact O-CB 3.22Å; W65-Y68 PolarHBondContact O-N 3.39Å; W65-Y68 VanDerWaalsContact O-N 3.08Å; W65-I69 HydrophobicContact CD2-CD1 4.24Å; W65-I69 HydrophobicContact CD2-CG1 4.34Å; W65-I69 VanDerWaalsContact CE2-CD1 3.46Å; W65-I69 HydrophobicContact CZ2-CD1 3.72Å; W65-I69 HydrophobicContact CZ2-CG1 4.04Å; W65-I69 VanDerWaalsContact NE1-CD1 3.27Å; W65-I69 PolarHBondContact O-N 2.88Å
66R98.5Very high98.2Very high163 Ų163105.6 Ų105.662%0.61550%0.498SS*.Hα-helixtrans-57.3-43.1175.8-72.1178.9-177.5106.93111.4Q62 I69 G70Q62-R66 WeakPolarHBondContact O-CG 3.33Å; Q62-R66 PolarHBondContact O-N 3.19Å; R66-I69 PolarHBondContact O-N 3.42Å; R66-G70 PolarHBondContact O-N 2.77Å
67G98.3Very high98.2Very high26 Ų26103.4 Ų103.427%0.26849%0.492SS..Hα-helixtrans-62.7-40.3174.900000113.2K63 T64 W65 R71K63-G67 PolarHBondContact O-N 2.92Å; K63-G67 VanDerWaalsContact O-N 3.08Å; T64-G67 PolarHBondContact O-N 2.85Å; W65-G67 VanDerWaalsContact C-N 3.28Å; W65-G67 PolarHBondContact O-N 3.24Å; G67-R71 WeakPolarHBondContact O-CG 3.34Å; G67-R71 PolarHBondContact O-N 3.02Å; G67-R71 VanDerWaalsContact O-N 3.07Å; G67-R71 PolarHBondContact O-NH1 3.2Å
68Y98.3Very high98.2Very high107 Ų107104.1 Ų104.142%0.4249%0.491SS..Hα-helixtrans-63.4-47.9176167.9-105.7000112T64 W65 G70 R71 K72T64-Y68 PolarHBondContact O-N 3.33Å; W65-Y68 AromaticContact CE3-CD1 3.78Å; W65-Y68 HydrophobicContact CE3-CD1 3.78Å; W65-Y68 HydrophobicContact CE3-CE1 4.43Å; W65-Y68 HydrophobicContact CH2-CD1 4.22Å; W65-Y68 HydrophobicContact CH2-CE1 4.18Å; W65-Y68 AromaticContact CZ3-CD1 3.52Å; W65-Y68 HydrophobicContact CZ3-CD1 3.52Å; W65-Y68 AromaticContact CZ3-CE1 3.71Å; W65-Y68 HydrophobicContact CZ3-CE1 3.71Å; W65-Y68 WeakPolarHBondContact O-CB 3.22Å; W65-Y68 PolarHBondContact O-N 3.39Å; W65-Y68 VanDerWaalsContact O-N 3.08Å; Y68-G70 VanDerWaalsContact C-N 3.34Å; Y68-G70 PolarHBondContact O-N 3.09Å; Y68-R71 PolarHBondContact O-N 3.35Å; Y68-K72 HydrophobicContact CE1-CD 4.43Å; Y68-K72 WeakPolarHBondContact O-CB 3.42Å; Y68-K72 PolarHBondContact O-N 3.05Å
69I98.5Very high98.2Very high61 Ų61104.1 Ų104.131%0.31349%0.494SS..Hα-helixtrans-57.1-48.7177-71.9179.9000110.6W65 R66 R71 K72 Q73W65-I69 HydrophobicContact CD2-CD1 4.24Å; W65-I69 HydrophobicContact CD2-CG1 4.34Å; W65-I69 VanDerWaalsContact CE2-CD1 3.46Å; W65-I69 HydrophobicContact CZ2-CD1 3.72Å; W65-I69 HydrophobicContact CZ2-CG1 4.04Å; W65-I69 VanDerWaalsContact NE1-CD1 3.27Å; W65-I69 PolarHBondContact O-N 2.88Å; R66-I69 PolarHBondContact O-N 3.42Å; I69-R71 PolarHBondContact O-N 2.97Å; I69-K72 WeakPolarHBondContact O-CB 3.38Å; I69-K72 PolarHBondContact O-N 3.04Å; I69-Q73 PolarHBondContact O-N 3.07Å
70G98.3Very high98.1Very high36 Ų36106.5 Ų106.537%0.37150%0.501SS..Hα-helixtrans-58.4-46.9179.300000112.3R66 Y68 K72 Q73 Y74R66-G70 PolarHBondContact O-N 2.77Å; Y68-G70 VanDerWaalsContact C-N 3.34Å; Y68-G70 PolarHBondContact O-N 3.09Å; G70-K72 PolarHBondContact O-N 2.85Å; G70-Q73 PolarHBondContact O-N 2.85Å; G70-Y74 WeakPolarHBondContact O-CB 3.45Å; G70-Y74 PolarHBondContact O-N 3.25Å
71R98.4Very high98.1Very high136 Ų136106 Ų10651%0.51350%0.498SS..Hα-helixtrans-63.6-38.5176.4-71.6-173.2-62.4-88.52.7112.8G67 Y68 I69 Y74 R75G67-R71 WeakPolarHBondContact O-CG 3.34Å; G67-R71 PolarHBondContact O-N 3.02Å; G67-R71 VanDerWaalsContact O-N 3.07Å; G67-R71 PolarHBondContact O-NH1 3.2Å; Y68-R71 PolarHBondContact O-N 3.35Å; I69-R71 PolarHBondContact O-N 2.97Å; R71-Y74 PolarHBondContact O-N 3.31Å; R71-R75 VanDerWaalsContact O-CG 3.31Å; R71-R75 WeakPolarHBondContact O-CG 3.34Å; R71-R75 PolarHBondContact O-N 2.77Å
72K97.7Very high98.1Very high128 Ų128103 Ų10356%0.55749%0.485SS*.Hα-helixtrans-62.2-48.2177.4-177.9-179.7177.7-178.70111Y68 I69 G70 R75 L76Y68-K72 HydrophobicContact CE1-CD 4.43Å; Y68-K72 WeakPolarHBondContact O-CB 3.42Å; Y68-K72 PolarHBondContact O-N 3.05Å; I69-K72 WeakPolarHBondContact O-CB 3.38Å; I69-K72 PolarHBondContact O-N 3.04Å; G70-K72 PolarHBondContact O-N 2.85Å; K72-R75 PolarHBondContact O-N 3.33Å; K72-L76 PolarHBondContact O-N 3.21Å
73Q97.9Very high98Very high119 Ų119102.4 Ų102.456%0.55648%0.484SS*.Hα-helixtrans-64.2-44.6177.5-71.4179.3-1200111.8I69 G70 R75 L76 I77I69-Q73 PolarHBondContact O-N 3.07Å; G70-Q73 PolarHBondContact O-N 2.85Å; Q73-R75 PolarHBondContact O-N 3.39Å; Q73-L76 WeakPolarHBondContact O-CB 3.27Å; Q73-L76 PolarHBondContact O-N 3.49Å; Q73-L76 VanDerWaalsContact O-N 3.16Å; Q73-I77 WeakPolarHBondContact O-CG1 3.31Å; Q73-I77 PolarHBondContact O-N 3.41Å
74Y97.9Very high98Very high149 Ų149100.2 Ų100.258%0.58448%0.476SS*.Hα-helixtrans-56.3-47.1176.6174.2-96.8000112.3G70 R71 L76 I77 L78G70-Y74 WeakPolarHBondContact O-CB 3.45Å; G70-Y74 PolarHBondContact O-N 3.25Å; R71-Y74 PolarHBondContact O-N 3.31Å; Y74-L76 VanDerWaalsContact C-N 3.3Å; Y74-L76 PolarHBondContact O-N 2.95Å; Y74-I77 PolarHBondContact O-N 3.01Å; Y74-L78 HydrophobicContact CE1-CD2 3.93Å; Y74-L78 WeakPolarHBondContact O-CB 3.49Å; Y74-L78 PolarHBondContact O-N 2.87Å
75R98.3Very high98Very high170 Ų170103.6 Ų103.664%0.64248%0.481SS*.Hα-helixtrans-60.3-38.9177.8-74.3173.5-179170.8-1.3112.6R71 K72 Q73 S79R71-R75 VanDerWaalsContact O-CG 3.31Å; R71-R75 WeakPolarHBondContact O-CG 3.34Å; R71-R75 PolarHBondContact O-N 2.77Å; K72-R75 PolarHBondContact O-N 3.33Å; Q73-R75 PolarHBondContact O-N 3.39Å; R75-S79 WeakPolarHBondContact O-CB 3.35Å; R75-S79 PolarHBondContact O-N 2.9Å
76L97.7Very high98Very high96 Ų96103.9 Ų103.950%0.50348%0.482SS..Hα-helixtrans-65.3-46.2177.1-176.8154.7000111.2K72 Q73 Y74 S79 K80K72-L76 PolarHBondContact O-N 3.21Å; Q73-L76 WeakPolarHBondContact O-CB 3.27Å; Q73-L76 PolarHBondContact O-N 3.49Å; Q73-L76 VanDerWaalsContact O-N 3.16Å; Y74-L76 VanDerWaalsContact C-N 3.3Å; Y74-L76 PolarHBondContact O-N 2.95Å; L76-S79 PolarHBondContact O-N 3.46Å; L76-K80 HydrophobicContact CD2-CD 3.94Å; L76-K80 WeakPolarHBondContact O-CG 3.2Å; L76-K80 PolarHBondContact O-N 3.01Å; L76-K80 VanDerWaalsContact O-N 3.15Å
77I98.3Very high97.9Very high100 Ų100104.3 Ų104.351%0.51348%0.484SS..Hα-helixtrans-61.2-49.6176.4-66.5166.7000109.9Q73 Y74 S79 K80 T81Q73-I77 WeakPolarHBondContact O-CG1 3.31Å; Q73-I77 PolarHBondContact O-N 3.41Å; Y74-I77 PolarHBondContact O-N 3.01Å; I77-S79 VanDerWaalsContact C-N 3.31Å; I77-S79 PolarHBondContact O-N 3.47Å; I77-K80 WeakPolarHBondContact O-CB 3.2Å; I77-K80 PolarHBondContact O-N 2.85Å; I77-K80 VanDerWaalsContact O-N 3.1Å; I77-T81 HydrophobicContact CG2-CG2 4.19Å; I77-T81 WeakPolarHBondContact O-CG2 3.38Å; I77-T81 PolarHBondContact O-N 3.08Å; I77-T81 PolarHBondContact O-OG1 3.07Å
78L98.1Very high97.9Very high75 Ų75106.9 Ų106.939%0.39349%0.491SS..Hα-helixtrans-58.6-41.8179.5-179.362.9000112.4Y74 K80 T81 V82Y74-L78 HydrophobicContact CE1-CD2 3.93Å; Y74-L78 WeakPolarHBondContact O-CB 3.49Å; Y74-L78 PolarHBondContact O-N 2.87Å; L78-K80 VanDerWaalsContact C-N 3.35Å; L78-K80 PolarHBondContact O-N 3.16Å; L78-T81 WeakPolarHBondContact CA-OG1 3.47Å; L78-T81 PolarHBondContact O-N 3.32Å; L78-T81 PolarHBondContact O-OG1 2.94Å; L78-V82 HydrophobicContact CD1-CG2 4.16Å; L78-V82 HydrophobicContact CG-CG2 4.48Å; L78-V82 WeakPolarHBondContact O-CB 3.44Å; L78-V82 VanDerWaalsContact O-CG2 3.25Å; L78-V82 WeakPolarHBondContact O-CG2 3.47Å; L78-V82 PolarHBondContact O-N 3.44Å
79S97.2Very high97.8Very high68 Ų68107.7 Ų107.748%0.47650%0.497SS..Hα-helixtrans-59.9-45.7175.6178.10000111.5R75 L76 I77 I83R75-S79 WeakPolarHBondContact O-CB 3.35Å; R75-S79 PolarHBondContact O-N 2.9Å; L76-S79 PolarHBondContact O-N 3.46Å; I77-S79 VanDerWaalsContact C-N 3.31Å; I77-S79 PolarHBondContact O-N 3.47Å; S79-I83 WeakPolarHBondContact O-CD1 3.33Å; S79-I83 VanDerWaalsContact O-CG1 3.26Å; S79-I83 WeakPolarHBondContact O-CG1 3.37Å; S79-I83 PolarHBondContact O-N 2.84Å; S79-I83 VanDerWaalsContact O-N 3.15Å
80K98Very high97.8Very high136 Ų136111.8 Ų111.859%0.59151%0.513SS*.Hα-helixtrans-62.6-47.9177.2-71.1179.5177.6-177.60112.1L76 I77 L78 V82 I83 E84L76-K80 HydrophobicContact CD2-CD 3.94Å; L76-K80 WeakPolarHBondContact O-CG 3.2Å; L76-K80 PolarHBondContact O-N 3.01Å; L76-K80 VanDerWaalsContact O-N 3.15Å; I77-K80 WeakPolarHBondContact O-CB 3.2Å; I77-K80 PolarHBondContact O-N 2.85Å; I77-K80 VanDerWaalsContact O-N 3.1Å; L78-K80 VanDerWaalsContact C-N 3.35Å; L78-K80 PolarHBondContact O-N 3.16Å; K80-V82 VanDerWaalsContact C-N 3.34Å; K80-V82 PolarHBondContact O-N 2.89Å; K80-I83 PolarHBondContact O-N 3.3Å; K80-E84 WeakPolarHBondContact O-CB 3.36Å; K80-E84 PolarHBondContact O-N 3.43Å
81T97.8Very high97.7Very high66 Ų66113.7 Ų113.741%0.40552%0.521SS..Hα-helixtrans-64.2-38.2-178.458.60000112.2I77 L78 E84 Y85I77-T81 HydrophobicContact CG2-CG2 4.19Å; I77-T81 WeakPolarHBondContact O-CG2 3.38Å; I77-T81 PolarHBondContact O-N 3.08Å; I77-T81 PolarHBondContact O-OG1 3.07Å; L78-T81 WeakPolarHBondContact CA-OG1 3.47Å; L78-T81 PolarHBondContact O-N 3.32Å; L78-T81 PolarHBondContact O-OG1 2.94Å; T81-E84 PolarHBondContact O-N 3.34Å; T81-Y85 VanDerWaalsContact O-CB 3.29Å; T81-Y85 WeakPolarHBondContact O-CB 3.49Å; T81-Y85 PolarHBondContact O-N 3.08Å
82V97.3Very high97.7Very high55 Ų55113.5 Ų113.533%0.33353%0.525SS..Hα-helixtrans-63.9-43.4175.3168.30000111.3L78 K80 R86L78-V82 HydrophobicContact CD1-CG2 4.16Å; L78-V82 HydrophobicContact CG-CG2 4.48Å; L78-V82 WeakPolarHBondContact O-CB 3.44Å; L78-V82 VanDerWaalsContact O-CG2 3.25Å; L78-V82 WeakPolarHBondContact O-CG2 3.47Å; L78-V82 PolarHBondContact O-N 3.44Å; K80-V82 VanDerWaalsContact C-N 3.34Å; K80-V82 PolarHBondContact O-N 2.89Å; V82-R86 VanDerWaalsContact O-CG 3.32Å; V82-R86 WeakPolarHBondContact O-CG 3.4Å; V82-R86 PolarHBondContact O-N 3.43Å
83I97.6Very high97.7Very high71 Ų71109.6 Ų109.636%0.36452%0.517SS..Hα-helixtrans-62.9-46.1177.8-68.9165.8000110.3S79 K80 R86 R87S79-I83 WeakPolarHBondContact O-CD1 3.33Å; S79-I83 VanDerWaalsContact O-CG1 3.26Å; S79-I83 WeakPolarHBondContact O-CG1 3.37Å; S79-I83 PolarHBondContact O-N 2.84Å; S79-I83 VanDerWaalsContact O-N 3.15Å; K80-I83 PolarHBondContact O-N 3.3Å; I83-R86 PolarHBondContact O-N 2.99Å; I83-R87 VanDerWaalsContact CG2-NH1 3.35Å; I83-R87 WeakPolarHBondContact O-CG 3.43Å; I83-R87 PolarHBondContact O-N 3.41Å
84E97.5Very high97.7Very high112 Ų112105.8 Ų105.852%0.52351%0.506SS..Hα-helixtrans-61.2-47.7178.1-174.5-178.1170.600111.9K80 T81 R86 R87 N88K80-E84 WeakPolarHBondContact O-CB 3.36Å; K80-E84 PolarHBondContact O-N 3.43Å; T81-E84 PolarHBondContact O-N 3.34Å; E84-R86 VanDerWaalsContact C-N 3.33Å; E84-R86 PolarHBondContact O-N 3.31Å; E84-R87 PolarHBondContact O-N 3.25Å; E84-N88 PolarHBondContact O-N 3.5Å
85Y97.9Very high97.7Very high152 Ų152101.1 Ų101.160%0.59650%0.498SS*.Hα-helixtrans-55.5-47.5176.1174-95.7000111.8T81 N88 K89T81-Y85 VanDerWaalsContact O-CB 3.29Å; T81-Y85 WeakPolarHBondContact O-CB 3.49Å; T81-Y85 PolarHBondContact O-N 3.08Å; Y85-N88 PolarHBondContact O-N 3.06Å; Y85-K89 HydrophobicContact CE1-CD 4.39Å; Y85-K89 WeakPolarHBondContact O-CB 3.46Å; Y85-K89 PolarHBondContact O-N 3.02Å
86R97.8Very high97.7Very high155 Ų155100.5 Ų100.559%0.58550%0.5SS*.Hα-helixtrans-61.1-47.3177.6-73174.9-177.1-171.80.9111.3V82 I83 E84 N88 K89 F90V82-R86 VanDerWaalsContact O-CG 3.32Å; V82-R86 WeakPolarHBondContact O-CG 3.4Å; V82-R86 PolarHBondContact O-N 3.43Å; I83-R86 PolarHBondContact O-N 2.99Å; E84-R86 VanDerWaalsContact C-N 3.33Å; E84-R86 PolarHBondContact O-N 3.31Å; R86-N88 VanDerWaalsContact C-N 3.34Å; R86-N88 PolarHBondContact O-N 2.98Å; R86-K89 PolarHBondContact O-N 3.43Å; R86-F90 HydrophobicContact CB-CE2 4.4Å; R86-F90 WeakPolarHBondContact O-CD2 3.26Å; R86-F90 PolarHBondContact O-N 2.94Å
87R97.6Very high97.7Very high172 Ų172101.7 Ų101.765%0.64951%0.506SS*.Hα-helixtrans-57.3-46.9177.4-75.7177.3-178.4144.30.7111.8I83 E84 K89 F90 S91I83-R87 VanDerWaalsContact CG2-NH1 3.35Å; I83-R87 WeakPolarHBondContact O-CG 3.43Å; I83-R87 PolarHBondContact O-N 3.41Å; E84-R87 PolarHBondContact O-N 3.25Å; R87-K89 PolarHBondContact O-N 3.47Å; R87-F90 PolarHBondContact O-N 3.45Å; R87-S91 VanDerWaalsContact O-CB 3.22Å; R87-S91 WeakPolarHBondContact O-CB 3.25Å; R87-S91 PolarHBondContact O-N 3.19Å
88N97.9Very high97.7Very high81 Ų81102 Ų10243%0.43351%0.505SS..Hα-helixtrans-64.4-42.8-179.4-70.7-14.6000111.5E84 Y85 R86 S91 Q92E84-N88 PolarHBondContact O-N 3.5Å; Y85-N88 PolarHBondContact O-N 3.06Å; R86-N88 VanDerWaalsContact C-N 3.34Å; R86-N88 PolarHBondContact O-N 2.98Å; N88-S91 PolarHBondContact O-N 3.05Å; N88-Q92 WeakPolarHBondContact O-CG 3.33Å; N88-Q92 PolarHBondContact O-N 3.03Å
89K96.8Very high97.7Very high124 Ų124102.2 Ų102.254%0.53951%0.513SS..Hα-helixtrans-59.1-48.6176.1-176.5175.8-179.9175.40112Y85 R86 R87 A93Y85-K89 HydrophobicContact CE1-CD 4.39Å; Y85-K89 WeakPolarHBondContact O-CB 3.46Å; Y85-K89 PolarHBondContact O-N 3.02Å; R86-K89 PolarHBondContact O-N 3.43Å; R87-K89 PolarHBondContact O-N 3.47Å; K89-A93 PolarHBondContact O-N 3.01Å
90F97.7Very high97.7Very high146 Ų146101.8 Ų101.864%0.6451%0.514SS*.Hα-helixtrans-69.2-37178.7-70.6-60.2000112.6R86 R87 Q92 A93 A94R86-F90 HydrophobicContact CB-CE2 4.4Å; R86-F90 WeakPolarHBondContact O-CD2 3.26Å; R86-F90 PolarHBondContact O-N 2.94Å; R87-F90 PolarHBondContact O-N 3.45Å; F90-Q92 PolarHBondContact O-N 3.37Å; F90-A93 PolarHBondContact O-N 3.21Å; F90-A94 WeakPolarHBondContact O-CB 3.46Å; F90-A94 PolarHBondContact O-N 3.15Å
91S97.2Very high97.7Very high77 Ų77102.2 Ų102.254%0.53851%0.512SS..Hα-helixtrans-60.1-45.8175.6-177.70000111.9R87 N88 A93 A94 A95R87-S91 VanDerWaalsContact O-CB 3.22Å; R87-S91 WeakPolarHBondContact O-CB 3.25Å; R87-S91 PolarHBondContact O-N 3.19Å; N88-S91 PolarHBondContact O-N 3.05Å; S91-A93 PolarHBondContact O-N 3.49Å; S91-A94 PolarHBondContact O-N 3.33Å; S91-A95 WeakPolarHBondContact O-CB 3.49Å; S91-A95 PolarHBondContact O-N 3.27Å
92Q97.6Very high97.6Very high131 Ų131105.7 Ų105.761%0.61252%0.521SS*.Hα-helixtrans-62.8-42176.3-71.4174.812.200112.5N88 F90 A95 K96N88-Q92 WeakPolarHBondContact O-CG 3.33Å; N88-Q92 PolarHBondContact O-N 3.03Å; F90-Q92 PolarHBondContact O-N 3.37Å; Q92-A95 PolarHBondContact O-N 2.93Å; Q92-K96 WeakPolarHBondContact O-CG 3.42Å; Q92-K96 PolarHBondContact O-N 3Å
93A97.1Very high97.5Very high47 Ų47103.7 Ų103.739%0.38851%0.512SS..Hα-helixtrans-63.3-45.2175.600000111.4K89 F90 S91 A95 K96 I97K89-A93 PolarHBondContact O-N 3.01Å; F90-A93 PolarHBondContact O-N 3.21Å; S91-A93 PolarHBondContact O-N 3.49Å; A93-A95 PolarHBondContact O-N 3.24Å; A93-K96 PolarHBondContact O-N 3.21Å; A93-I97 WeakPolarHBondContact O-CG1 3.47Å; A93-I97 PolarHBondContact O-N 3.16Å; A93-I97 VanDerWaalsContact O-N 3.13Å
94A98Very high97.4Very high39 Ų39105 Ų10532%0.32251%0.513SS..Hα-helixtrans-60.5-43.9176.600000111.7F90 S91 K96 I97 Q98F90-A94 WeakPolarHBondContact O-CB 3.46Å; F90-A94 PolarHBondContact O-N 3.15Å; S91-A94 PolarHBondContact O-N 3.33Å; A94-K96 VanDerWaalsContact C-N 3.31Å; A94-K96 PolarHBondContact O-N 2.91Å; A94-I97 PolarHBondContact O-N 3.4Å; A94-Q98 WeakPolarHBondContact O-CB 3.49Å; A94-Q98 WeakPolarHBondContact O-CG 3.36Å; A94-Q98 PolarHBondContact O-N 2.84Å
95A97.9Very high97.2Very high50 Ų50102.4 Ų102.441%0.41350%0.502SS..Hα-helixtrans-60-39.6178.600000112.4S91 Q92 A93 Q98 S99S91-A95 WeakPolarHBondContact O-CB 3.49Å; S91-A95 PolarHBondContact O-N 3.27Å; Q92-A95 PolarHBondContact O-N 2.93Å; A93-A95 PolarHBondContact O-N 3.24Å; A95-Q98 PolarHBondContact O-N 2.74Å; A95-S99 WeakPolarHBondContact O-CB 3.42Å; A95-S99 PolarHBondContact O-N 2.93Å; A95-S99 PolarHBondContact O-OG 3.25Å
96K98.3Very high97Very high157 Ų15797.9 Ų97.968%0.68349%0.49SS*.Hα-helixtrans-63.9-45.6174.7-72.3177.3178.8-177.50112.2Q92 A93 A94 Q98 S99 A100Q92-K96 WeakPolarHBondContact O-CG 3.42Å; Q92-K96 PolarHBondContact O-N 3Å; A93-K96 PolarHBondContact O-N 3.21Å; A94-K96 VanDerWaalsContact C-N 3.31Å; A94-K96 PolarHBondContact O-N 2.91Å; K96-Q98 VanDerWaalsContact C-N 3.35Å; K96-S99 PolarHBondContact O-OG 3.36Å; K96-A100 WeakPolarHBondContact O-CB 3.48Å; K96-A100 PolarHBondContact O-N 3.18Å; K96-A100 VanDerWaalsContact O-N 3.12Å
97I97.9Very high96.6Very high122 Ų12299 Ų9963%0.62649%0.494SS*.Hα-helixtrans-63.3-45.4177.7-66167.3000110A93 A94 A100 W101A93-I97 WeakPolarHBondContact O-CG1 3.47Å; A93-I97 PolarHBondContact O-N 3.16Å; A93-I97 VanDerWaalsContact O-N 3.13Å; A94-I97 PolarHBondContact O-N 3.4Å; I97-A100 PolarHBondContact O-N 3.13Å; I97-W101 WeakPolarHBondContact O-CB 3.35Å; I97-W101 PolarHBondContact O-N 3.19Å
98Q98.2Very high96.3Very high107 Ų10796 Ų9650%0.549%0.486SS..Hα-helixtrans-64.4-41.3-179.6-73172.7-5.600112.5A94 A95 K96 W101 K102A94-Q98 WeakPolarHBondContact O-CB 3.49Å; A94-Q98 WeakPolarHBondContact O-CG 3.36Å; A94-Q98 PolarHBondContact O-N 2.84Å; A95-Q98 PolarHBondContact O-N 2.74Å; K96-Q98 VanDerWaalsContact C-N 3.35Å; Q98-W101 PolarHBondContact O-N 2.96Å; Q98-K102 WeakPolarHBondContact O-CB 3.48Å; Q98-K102 VanDerWaalsContact O-CG 3.25Å; Q98-K102 WeakPolarHBondContact O-CG 3.46Å; Q98-K102 PolarHBondContact O-N 3.48Å
99S97.9Very high96Very high78 Ų7899.4 Ų99.455%0.54549%0.494SS..Hα-helixtrans-66.9-43178.166.70000111.5A95 K96 W101 K102 G103A95-S99 WeakPolarHBondContact O-CB 3.42Å; A95-S99 PolarHBondContact O-N 2.93Å; A95-S99 PolarHBondContact O-OG 3.25Å; K96-S99 PolarHBondContact O-OG 3.36Å; S99-W101 PolarHBondContact O-N 3.23Å; S99-K102 PolarHBondContact O-N 3.15Å; S99-G103 PolarHBondContact O-N 2.82Å
100A97.4Very high95.5Very high60 Ų6099.2 Ų99.250%0.49650%0.498SS..Hα-helixtrans-59.9-46.2173.900000111.5K96 I97 G103 Y104K96-A100 WeakPolarHBondContact O-CB 3.48Å; K96-A100 PolarHBondContact O-N 3.18Å; K96-A100 VanDerWaalsContact O-N 3.12Å; I97-A100 PolarHBondContact O-N 3.13Å; A100-G103 PolarHBondContact O-N 3.36Å; A100-Y104 PolarHBondContact O-N 3.34Å
101W97.7Very high95Very high145 Ų14597.4 Ų97.455%0.54949%0.49SS..Hα-helixtrans-63.1-48.2178.1177.7-108.1000112.9I97 Q98 S99 G103 Y104 L105I97-W101 WeakPolarHBondContact O-CB 3.35Å; I97-W101 PolarHBondContact O-N 3.19Å; Q98-W101 PolarHBondContact O-N 2.96Å; S99-W101 PolarHBondContact O-N 3.23Å; W101-G103 VanDerWaalsContact C-N 3.27Å; W101-G103 PolarHBondContact O-N 3.43Å; W101-Y104 AromaticContact CE3-CD1 3.87Å; W101-Y104 HydrophobicContact CE3-CD1 3.87Å; W101-Y104 HydrophobicContact CE3-CE1 4.47Å; W101-Y104 HydrophobicContact CH2-CD1 4.21Å; W101-Y104 HydrophobicContact CH2-CE1 4.14Å; W101-Y104 AromaticContact CZ3-CD1 3.63Å; W101-Y104 HydrophobicContact CZ3-CD1 3.63Å; W101-Y104 AromaticContact CZ3-CE1 3.77Å; W101-Y104 HydrophobicContact CZ3-CE1 3.77Å; W101-Y104 WeakPolarHBondContact O-CB 3.48Å; W101-Y104 PolarHBondContact O-N 3.15Å; W101-Y104 VanDerWaalsContact O-N 3.13Å; W101-L105 HydrophobicContact CZ2-CD1 4.25Å; W101-L105 WeakPolarHBondContact O-CB 3.46Å; W101-L105 PolarHBondContact O-N 3.1Å
102K96.2Very high94.6Very high138 Ų13898 Ų9860%0.649%0.487SS*.Hα-helixtrans-57-43.6176.2-75.2173.3-177.7-179.40110.9Q98 S99 L105 T106Q98-K102 WeakPolarHBondContact O-CB 3.48Å; Q98-K102 VanDerWaalsContact O-CG 3.25Å; Q98-K102 WeakPolarHBondContact O-CG 3.46Å; Q98-K102 PolarHBondContact O-N 3.48Å; S99-K102 PolarHBondContact O-N 3.15Å; K102-L105 PolarHBondContact O-N 3.01Å; K102-T106 WeakPolarHBondContact O-CG2 3.38Å; K102-T106 PolarHBondContact O-N 3.4Å; K102-T106 PolarHBondContact O-OG1 2.99Å
103G95.5Very high94.2Very high14 Ų1497.1 Ų97.114%0.14448%0.481CS..Hα-helixtrans-64.2-40.9175.400000113.4S99 A100 W101 T106 R107S99-G103 PolarHBondContact O-N 2.82Å; A100-G103 PolarHBondContact O-N 3.36Å; W101-G103 VanDerWaalsContact C-N 3.27Å; W101-G103 PolarHBondContact O-N 3.43Å; G103-T106 PolarHBondContact O-OG1 2.98Å; G103-R107 VanDerWaalsContact C-NH2 3.27Å; G103-R107 WeakPolarHBondContact O-CG 3.32Å; G103-R107 PolarHBondContact O-N 3.39Å; G103-R107 PolarHBondContact O-NE 3.44Å; G103-R107 PolarHBondContact O-NH1 2.91Å; G103-R107 PolarHBondContact O-NH2 2.88Å
104Y94.5Very high94Very high98 Ų98103 Ų10338%0.38450%0.495SS..Hα-helixtrans-62-48.9175168.7-98.2000111.5A100 W101 T106 R107 K108A100-Y104 PolarHBondContact O-N 3.34Å; W101-Y104 AromaticContact CE3-CD1 3.87Å; W101-Y104 HydrophobicContact CE3-CD1 3.87Å; W101-Y104 HydrophobicContact CE3-CE1 4.47Å; W101-Y104 HydrophobicContact CH2-CD1 4.21Å; W101-Y104 HydrophobicContact CH2-CE1 4.14Å; W101-Y104 AromaticContact CZ3-CD1 3.63Å; W101-Y104 HydrophobicContact CZ3-CD1 3.63Å; W101-Y104 AromaticContact CZ3-CE1 3.77Å; W101-Y104 HydrophobicContact CZ3-CE1 3.77Å; W101-Y104 WeakPolarHBondContact O-CB 3.48Å; W101-Y104 PolarHBondContact O-N 3.15Å; W101-Y104 VanDerWaalsContact O-N 3.13Å; Y104-T106 PolarHBondContact O-N 3.42Å; Y104-R107 PolarHBondContact O-N 3.43Å; Y104-K108 HydrophobicContact CE1-CD 3.93Å; Y104-K108 HydrophobicContact CE2-CD 4.06Å; Y104-K108 VanDerWaalsContact CZ-CD 3.44Å; Y104-K108 WeakPolarHBondContact O-CB 3.29Å; Y104-K108 PolarHBondContact O-N 3.22Å; Y104-K108 WeakPolarHBondContact OH-CD 3.36Å; Y104-K108 PolarHBondContact OH-NZ 2.93Å
105L95.3Very high93.7Very high58 Ų58104.6 Ų104.630%0.30450%0.503SS..Hα-helixtrans-61.3-44-177.2-173.4149.5000111.5W101 K102 K108 Y109 I110W101-L105 HydrophobicContact CZ2-CD1 4.25Å; W101-L105 WeakPolarHBondContact O-CB 3.46Å; W101-L105 PolarHBondContact O-N 3.1Å; K102-L105 PolarHBondContact O-N 3.01Å; L105-K108 PolarHBondContact O-N 3.02Å; L105-Y109 HydrophobicContact CG-CD2 4.27Å; L105-Y109 PolarHBondContact O-N 3.4Å; L105-I110 HydrophobicContact CD2-CD1 3.51Å; L105-I110 HydrophobicContact CD2-CG1 4.12Å
106T92.2Very high93.5Very high56 Ų56108.7 Ų108.734%0.34451%0.508SS..Iπ-helixtrans-63.2-46.3177.8540000111.7K102 G103 Y104 K108 I110 F111K102-T106 WeakPolarHBondContact O-CG2 3.38Å; K102-T106 PolarHBondContact O-N 3.4Å; K102-T106 PolarHBondContact O-OG1 2.99Å; G103-T106 PolarHBondContact O-OG1 2.98Å; Y104-T106 PolarHBondContact O-N 3.42Å; T106-K108 VanDerWaalsContact C-N 3.31Å; T106-K108 PolarHBondContact O-N 3.28Å; T106-I110 HydrophobicContact CG2-CD1 4.19Å; T106-I110 PolarHBondContact O-N 3.43Å; T106-I110 VanDerWaalsContact O-N 3.16Å; T106-F111 PolarHBondContact O-N 3.35Å
107R90.1Very high93.5Very high178 Ų178107.6 Ų107.667%0.67250%0.503SS*.Iπ-helixtrans-68-27.2179.7-71-175.6-68.5-91.13.1113.8G103 Y104G103-R107 VanDerWaalsContact C-NH2 3.27Å; G103-R107 WeakPolarHBondContact O-CG 3.32Å; G103-R107 PolarHBondContact O-N 3.39Å; G103-R107 PolarHBondContact O-NE 3.44Å; G103-R107 PolarHBondContact O-NH1 2.91Å; G103-R107 PolarHBondContact O-NH2 2.88Å; Y104-R107 PolarHBondContact O-N 3.43Å
108K90.3Very high93.4Very high109 Ų109106.8 Ų106.847%0.47450%0.504SS..Iπ-helixtrans-89-41.5-178.3-172.7170.8179.7-167.30113.8Y104 L105 T106Y104-K108 HydrophobicContact CE1-CD 3.93Å; Y104-K108 HydrophobicContact CE2-CD 4.06Å; Y104-K108 VanDerWaalsContact CZ-CD 3.44Å; Y104-K108 WeakPolarHBondContact O-CB 3.29Å; Y104-K108 PolarHBondContact O-N 3.22Å; Y104-K108 WeakPolarHBondContact OH-CD 3.36Å; Y104-K108 PolarHBondContact OH-NZ 2.93Å; L105-K108 PolarHBondContact O-N 3.02Å; T106-K108 VanDerWaalsContact C-N 3.31Å; T106-K108 PolarHBondContact O-N 3.28Å
109Y91.4Very high93.3Very high154 Ų154108.2 Ų108.260%0.60451%0.506SS*.Iπ-helixtrans-121.9-19.6-166.8-56.9-66.2000115.1L105L105-Y109 HydrophobicContact CG-CD2 4.27Å; L105-Y109 PolarHBondContact O-N 3.4Å
110I88.1Confident93.3Very high120 Ų120108.1 Ų108.162%0.61550%0.499SS*.Iπ-helixtrans-108.7-50.8-172.2-57.5177.9000111.5L105 T106L105-I110 HydrophobicContact CD2-CD1 3.51Å; L105-I110 HydrophobicContact CD2-CG1 4.12Å; T106-I110 HydrophobicContact CG2-CD1 4.19Å; T106-I110 PolarHBondContact O-N 3.43Å; T106-I110 VanDerWaalsContact O-N 3.16Å
111F87.2Confident93.3Very high108 Ų108108.3 Ų108.347%0.47450%0.496SS..  trans-103101.6-169-177.5-102.7000111.4T106 F113 R116T106-F111 PolarHBondContact O-N 3.35Å; F111-F113 HydrophobicContact CE1-CB 3.9Å; F111-F113 HydrophobicContact CE1-CD2 4.22Å; F111-F113 HydrophobicContact CZ-CD2 4.4Å; F111-R116 HydrophobicContact CE2-CB 4.21Å; F111-R116 HydrophobicContact CE2-CG 4.06Å; F111-R116 HydrophobicContact CZ-CB 4.43Å; F111-R116 HydrophobicContact CZ-CG 4.33Å
112N87.7Confident93.3Very high90 Ų90103.3 Ų103.348%0.48149%0.486SS..  trans-90106.3167.1-172.4-32.5000110Y114 S115 R116N112-Y114 PolarHBondContact O-N 2.93Å; N112-Y114 PolarHBondContact OD1-N 3.37Å; N112-S115 PolarHBondContact ND2-OG 3.45Å; N112-S115 PolarHBondContact O-N 3.3Å; N112-S115 PolarHBondContact OD1-N 2.9Å; N112-S115 VanDerWaalsContact OD1-N 3.13Å; N112-S115 PolarHBondContact OD1-OG 3.04Å; N112-R116 WeakPolarHBondContact O-CB 3.4Å; N112-R116 PolarHBondContact O-N 2.84Å
113F88.9Confident93.4Very high111 Ų111100.2 Ų100.249%0.48748%0.476SS..Hα-helixtrans-57.9-44.3-179.4172.8-100.7000112.9F111 R116 K117F111-F113 HydrophobicContact CE1-CB 3.9Å; F111-F113 HydrophobicContact CE1-CD2 4.22Å; F111-F113 HydrophobicContact CZ-CD2 4.4Å; F113-R116 PolarHBondContact O-N 2.9Å; F113-K117 HydrophobicContact CE1-CD 4.28Å; F113-K117 HydrophobicContact CZ-CD 4.35Å; F113-K117 WeakPolarHBondContact O-CB 3.41Å; F113-K117 PolarHBondContact O-N 3.24Å
114Y93.4Very high93.5Very high172 Ų172105.1 Ų105.168%0.67550%0.497SS*.Hα-helixtrans-70-41.7-176-62.3-75000111.4N112 R116 K117 V118N112-Y114 PolarHBondContact O-N 2.93Å; N112-Y114 PolarHBondContact OD1-N 3.37Å; Y114-R116 VanDerWaalsContact C-N 3.34Å; Y114-R116 PolarHBondContact O-N 3.03Å; Y114-K117 PolarHBondContact O-N 3.35Å; Y114-V118 WeakPolarHBondContact O-CG2 3.29Å; Y114-V118 PolarHBondContact O-N 3.27Å
115S91.7Very high93.6Very high71 Ų71104.9 Ų104.950%0.49750%0.502SS..Hα-helixtrans-60-44173.5-56.10000111.7N112 K117 Y119N112-S115 PolarHBondContact ND2-OG 3.45Å; N112-S115 PolarHBondContact O-N 3.3Å; N112-S115 PolarHBondContact OD1-N 2.9Å; N112-S115 VanDerWaalsContact OD1-N 3.13Å; N112-S115 PolarHBondContact OD1-OG 3.04Å; S115-K117 PolarHBondContact O-N 2.88Å; S115-Y119 WeakPolarHBondContact O-CB 3.16Å; S115-Y119 PolarHBondContact O-N 3.23Å
116R93.7Very high93.8Very high137 Ų137106.8 Ų106.852%0.51751%0.512SS..Hα-helixtrans-60.4-43.3175.3178.679176-177.12.9111.6F111 N112 F113 Y114 Y119 L120F111-R116 HydrophobicContact CE2-CB 4.21Å; F111-R116 HydrophobicContact CE2-CG 4.06Å; F111-R116 HydrophobicContact CZ-CB 4.43Å; F111-R116 HydrophobicContact CZ-CG 4.33Å; N112-R116 WeakPolarHBondContact O-CB 3.4Å; N112-R116 PolarHBondContact O-N 2.84Å; F113-R116 PolarHBondContact O-N 2.9Å; Y114-R116 VanDerWaalsContact C-N 3.34Å; Y114-R116 PolarHBondContact O-N 3.03Å; R116-Y119 PolarHBondContact O-N 3.37Å; R116-L120 HydrophobicContact CG-CD1 4.22Å; R116-L120 WeakPolarHBondContact O-CG 3.37Å; R116-L120 PolarHBondContact O-N 3.37Å
117K97.4Very high94Very high134 Ų134105.6 Ų105.658%0.58351%0.511SS*.Hα-helixtrans-64.9-46.1-179.1-174.7177.1179.1-178.10112F113 Y114 S115 Y119 L120 S121F113-K117 HydrophobicContact CE1-CD 4.28Å; F113-K117 HydrophobicContact CZ-CD 4.35Å; F113-K117 WeakPolarHBondContact O-CB 3.41Å; F113-K117 PolarHBondContact O-N 3.24Å; Y114-K117 PolarHBondContact O-N 3.35Å; S115-K117 PolarHBondContact O-N 2.88Å; K117-Y119 VanDerWaalsContact C-N 3.35Å; K117-L120 PolarHBondContact O-N 3.42Å; K117-S121 PolarHBondContact O-N 3.25Å
118V96.4Very high94.4Very high105 Ų105102.5 Ų102.564%0.63650%0.504SS*.Hα-helixtrans-61.7-45.1176.7174.50000110.6Y114 L120 S121 A122Y114-V118 WeakPolarHBondContact O-CG2 3.29Å; Y114-V118 PolarHBondContact O-N 3.27Å; V118-L120 VanDerWaalsContact C-N 3.35Å; V118-L120 PolarHBondContact O-N 3.25Å; V118-S121 WeakPolarHBondContact O-CB 3.43Å; V118-S121 PolarHBondContact O-N 2.85Å; V118-A122 PolarHBondContact O-N 3.49Å
119Y96.9Very high94.7Very high137 Ų137103.4 Ų103.454%0.53751%0.508SS..Hα-helixtrans-57-46.2176.1172.8-100.8000112.5S115 R116 K117 A122 L123S115-Y119 WeakPolarHBondContact O-CB 3.16Å; S115-Y119 PolarHBondContact O-N 3.23Å; R116-Y119 PolarHBondContact O-N 3.37Å; K117-Y119 VanDerWaalsContact C-N 3.35Å; Y119-A122 PolarHBondContact O-N 3.46Å; Y119-L123 HydrophobicContact CD1-CD1 3.95Å; Y119-L123 HydrophobicContact CD1-CG 4.46Å; Y119-L123 HydrophobicContact CE1-CD1 3.27Å; Y119-L123 HydrophobicContact CE1-CG 4.03Å; Y119-L123 HydrophobicContact CE2-CD1 4.32Å; Y119-L123 HydrophobicContact CE2-CG 4.27Å; Y119-L123 VanDerWaalsContact CZ-CD1 3.49Å; Y119-L123 WeakPolarHBondContact O-CG 3.33Å; Y119-L123 PolarHBondContact O-N 3.45Å
120L97.9Very high95.1Very high76 Ų7699.3 Ų99.340%0.39850%0.499SS..Hα-helixtrans-65.8-37.9178.4-71.6173.9000112.4R116 K117 V118 L123 I124R116-L120 HydrophobicContact CG-CD1 4.22Å; R116-L120 WeakPolarHBondContact O-CG 3.37Å; R116-L120 PolarHBondContact O-N 3.37Å; K117-L120 PolarHBondContact O-N 3.42Å; V118-L120 VanDerWaalsContact C-N 3.35Å; V118-L120 PolarHBondContact O-N 3.25Å; L120-L123 HydrophobicContact CD2-CD1 4.38Å; L120-L123 PolarHBondContact O-N 2.86Å; L120-I124 WeakPolarHBondContact O-CG1 3.42Å; L120-I124 PolarHBondContact O-N 3.35Å; L120-I124 VanDerWaalsContact O-N 3.14Å
121S97.2Very high95.5Very high63 Ų63100.8 Ų100.844%0.44150%0.501SS..Hα-helixtrans-61-50.7174.5-161.10000110.8K117 V118 L123 I124 D125K117-S121 PolarHBondContact O-N 3.25Å; V118-S121 WeakPolarHBondContact O-CB 3.43Å; V118-S121 PolarHBondContact O-N 2.85Å; S121-L123 VanDerWaalsContact C-N 3.25Å; S121-L123 PolarHBondContact O-N 2.88Å; S121-I124 WeakPolarHBondContact O-CB 3.07Å; S121-I124 PolarHBondContact O-N 3.02Å; S121-D125 PolarHBondContact O-N 2.84Å; S121-D125 VanDerWaalsContact O-N 3.14Å
122A97.6Very high96.1Very high41 Ų4199.7 Ų99.734%0.33950%0.5SS..Hα-helixtrans-59.4-36.8178.100000112.3V118 Y119 I124 D125 I126V118-A122 PolarHBondContact O-N 3.49Å; Y119-A122 PolarHBondContact O-N 3.46Å; A122-I124 VanDerWaalsContact C-N 3.34Å; A122-I124 PolarHBondContact O-N 3.37Å; A122-D125 PolarHBondContact O-N 3.47Å; A122-I126 WeakPolarHBondContact O-CD1 3.46Å; A122-I126 WeakPolarHBondContact O-CG1 3.42Å; A122-I126 PolarHBondContact O-N 3.39Å
123L98Very high96.6Very high73 Ų73100.3 Ų100.338%0.38250%0.5SS..Hα-helixtrans-63.9-36.7174.6-80.3-177.7000113.3Y119 L120 S121 G127Y119-L123 HydrophobicContact CD1-CD1 3.95Å; Y119-L123 HydrophobicContact CD1-CG 4.46Å; Y119-L123 HydrophobicContact CE1-CD1 3.27Å; Y119-L123 HydrophobicContact CE1-CG 4.03Å; Y119-L123 HydrophobicContact CE2-CD1 4.32Å; Y119-L123 HydrophobicContact CE2-CG 4.27Å; Y119-L123 VanDerWaalsContact CZ-CD1 3.49Å; Y119-L123 WeakPolarHBondContact O-CG 3.33Å; Y119-L123 PolarHBondContact O-N 3.45Å; L120-L123 HydrophobicContact CD2-CD1 4.38Å; L120-L123 PolarHBondContact O-N 2.86Å; S121-L123 VanDerWaalsContact C-N 3.25Å; S121-L123 PolarHBondContact O-N 2.88Å; L123-G127 PolarHBondContact O-N 3.2Å
124I98Very high97Very high116 Ų116100.3 Ų100.360%0.59551%0.505SS*.Hα-helixtrans-64.2-47.4176.4-68.1163.9000109.3L120 S121 A122 I126 G127 E128L120-I124 WeakPolarHBondContact O-CG1 3.42Å; L120-I124 PolarHBondContact O-N 3.35Å; L120-I124 VanDerWaalsContact O-N 3.14Å; S121-I124 WeakPolarHBondContact O-CB 3.07Å; S121-I124 PolarHBondContact O-N 3.02Å; A122-I124 VanDerWaalsContact C-N 3.34Å; A122-I124 PolarHBondContact O-N 3.37Å; I124-I126 PolarHBondContact O-N 3.49Å; I124-G127 WeakPolarHBondContact O-CA 3.24Å; I124-G127 PolarHBondContact O-N 2.98Å; I124-G127 VanDerWaalsContact O-N 3.09Å; I124-E128 PolarHBondContact O-N 2.88Å
125D97.1Very high97.2Very high93 Ų9394.2 Ų94.250%0.49749%0.487SS..Hα-helixtrans-60.6-44.6179.9-55.1-26.3000111.4S121 A122 G127 E128 F129S121-D125 PolarHBondContact O-N 2.84Å; S121-D125 VanDerWaalsContact O-N 3.14Å; A122-D125 PolarHBondContact O-N 3.47Å; D125-G127 VanDerWaalsContact C-N 3.32Å; D125-G127 PolarHBondContact O-N 3.43Å; D125-E128 PolarHBondContact O-N 2.91Å; D125-F129 WeakPolarHBondContact O-CB 3.43Å; D125-F129 PolarHBondContact O-N 3.23Å
126I97.8Very high97.5Very high98 Ų9895.1 Ų95.150%0.50349%0.487SS..Hα-helixtrans-61.4-42.8174.9-68.2163.3000110.6A122 I124 E128 F129 V130A122-I126 WeakPolarHBondContact O-CD1 3.46Å; A122-I126 WeakPolarHBondContact O-CG1 3.42Å; A122-I126 PolarHBondContact O-N 3.39Å; I124-I126 PolarHBondContact O-N 3.49Å; I126-E128 VanDerWaalsContact C-N 3.35Å; I126-E128 PolarHBondContact O-N 3.01Å; I126-F129 PolarHBondContact O-N 3.31Å; I126-V130 HydrophobicContact CG2-CG2 4.43Å; I126-V130 WeakPolarHBondContact O-CG2 3.22Å; I126-V130 PolarHBondContact O-N 2.98Å
127G97.3Very high97.7Very high31 Ų3195.7 Ų95.732%0.3249%0.49SS..Hα-helixtrans-62-41.7178.400000112.6L123 I124 D125 K131L123-G127 PolarHBondContact O-N 3.2Å; I124-G127 WeakPolarHBondContact O-CA 3.24Å; I124-G127 PolarHBondContact O-N 2.98Å; I124-G127 VanDerWaalsContact O-N 3.09Å; D125-G127 VanDerWaalsContact C-N 3.32Å; D125-G127 PolarHBondContact O-N 3.43Å; G127-K131 WeakPolarHBondContact O-CG 3.26Å; G127-K131 PolarHBondContact O-N 3.38Å; G127-K131 VanDerWaalsContact O-N 3.1Å
128E97.8Very high97.7Very high114 Ų11494.1 Ų94.153%0.53348%0.484SS..Hα-helixtrans-64.4-45.2175-174.1169.3-17300111.6I124 D125 I126 V130 K131 N132I124-E128 PolarHBondContact O-N 2.88Å; D125-E128 PolarHBondContact O-N 2.91Å; I126-E128 VanDerWaalsContact C-N 3.35Å; I126-E128 PolarHBondContact O-N 3.01Å; E128-V130 PolarHBondContact O-N 3.32Å; E128-K131 WeakPolarHBondContact O-CB 3.33Å; E128-K131 PolarHBondContact O-N 3.49Å; E128-N132 PolarHBondContact O-N 3.32Å
129F98Very high97.8Very high127 Ų12794.8 Ų94.856%0.55748%0.479SS*.Hα-helixtrans-58.7-44.8176.4176.1-113.7000112.9D125 I126 N132 Q133D125-F129 WeakPolarHBondContact O-CB 3.43Å; D125-F129 PolarHBondContact O-N 3.23Å; I126-F129 PolarHBondContact O-N 3.31Å; F129-N132 PolarHBondContact O-N 3.29Å; F129-Q133 HydrophobicContact CE2-CG 4.37Å; F129-Q133 HydrophobicContact CZ-CG 4.29Å; F129-Q133 PolarHBondContact O-N 2.89Å; F129-Q133 VanDerWaalsContact O-N 3.07Å
130V98.4Very high97.8Very high69 Ų6992.9 Ų92.942%0.41848%0.475SS..Hα-helixtrans-64.4-40.1177.4171.10000111.3I126 E128 N132 Q133 L134I126-V130 HydrophobicContact CG2-CG2 4.43Å; I126-V130 WeakPolarHBondContact O-CG2 3.22Å; I126-V130 PolarHBondContact O-N 2.98Å; E128-V130 PolarHBondContact O-N 3.32Å; V130-N132 PolarHBondContact O-N 3.15Å; V130-Q133 PolarHBondContact O-N 3.46Å; V130-L134 HydrophobicContact CG1-CD1 4.04Å; V130-L134 HydrophobicContact CG1-CG 4.48Å; V130-L134 WeakPolarHBondContact O-CG 3.34Å; V130-L134 PolarHBondContact O-N 2.96Å
131K98.1Very high97.8Very high150 Ų15092.7 Ų92.765%0.65247%0.473SS*.Hα-helixtrans-61.9-42.8175.7-75.3175.2-178.7-179.20112.1G127 E128 L134 S135G127-K131 WeakPolarHBondContact O-CG 3.26Å; G127-K131 PolarHBondContact O-N 3.38Å; G127-K131 VanDerWaalsContact O-N 3.1Å; E128-K131 WeakPolarHBondContact O-CB 3.33Å; E128-K131 PolarHBondContact O-N 3.49Å; K131-L134 PolarHBondContact O-N 2.84Å; K131-S135 PolarHBondContact O-N 2.62Å
132N98Very high97.7Very high86 Ų8695.3 Ų95.346%0.4648%0.476SS..Hα-helixtrans-62.8-46.6178.3-68.8-17.3000111.1E128 F129 V130 L134 S135 D136E128-N132 PolarHBondContact O-N 3.32Å; F129-N132 PolarHBondContact O-N 3.29Å; V130-N132 PolarHBondContact O-N 3.15Å; N132-L134 VanDerWaalsContact C-N 3.33Å; N132-L134 PolarHBondContact O-N 3.5Å; N132-S135 WeakPolarHBondContact O-CB 3.41Å; N132-S135 PolarHBondContact O-N 2.82Å; N132-S135 VanDerWaalsContact O-N 3.14Å; N132-D136 PolarHBondContact O-N 3.15Å
133Q98.3Very high97.7Very high102 Ų102100.1 Ų100.148%0.47749%0.487SS..Hα-helixtrans-58.7-42.1174.6-77.9-173.378.600113F129 V130 S135 D136 Y137F129-Q133 HydrophobicContact CE2-CG 4.37Å; F129-Q133 HydrophobicContact CZ-CG 4.29Å; F129-Q133 PolarHBondContact O-N 2.89Å; F129-Q133 VanDerWaalsContact O-N 3.07Å; V130-Q133 PolarHBondContact O-N 3.46Å; Q133-S135 VanDerWaalsContact C-N 3.33Å; Q133-D136 PolarHBondContact O-N 3.07Å; Q133-Y137 WeakPolarHBondContact O-CB 3.44Å; Q133-Y137 PolarHBondContact O-N 3.3Å
134L98.3Very high97.7Very high111 Ų11199.5 Ų99.558%0.58148%0.483SS*.Hα-helixtrans-63-40.9176.5-75.3169000111.6V130 K131 N132 D136 Y137 E138V130-L134 HydrophobicContact CG1-CD1 4.04Å; V130-L134 HydrophobicContact CG1-CG 4.48Å; V130-L134 WeakPolarHBondContact O-CG 3.34Å; V130-L134 PolarHBondContact O-N 2.96Å; K131-L134 PolarHBondContact O-N 2.84Å; N132-L134 VanDerWaalsContact C-N 3.33Å; N132-L134 PolarHBondContact O-N 3.5Å; L134-D136 VanDerWaalsContact C-N 3.35Å; L134-Y137 PolarHBondContact O-N 2.99Å; L134-E138 WeakPolarHBondContact O-CB 3.2Å; L134-E138 PolarHBondContact O-N 3.3Å
135S97.6Very high97.6Very high45 Ų4598.9 Ų98.932%0.31548%0.478SS..Hα-helixtrans-62.2-42.4175.8-1730000111.8K131 N132 Q133 E138 K139K131-S135 PolarHBondContact O-N 2.62Å; N132-S135 WeakPolarHBondContact O-CB 3.41Å; N132-S135 PolarHBondContact O-N 2.82Å; N132-S135 VanDerWaalsContact O-N 3.14Å; Q133-S135 VanDerWaalsContact C-N 3.33Å; S135-E138 PolarHBondContact O-N 3.19Å; S135-K139 WeakPolarHBondContact O-CG 3.47Å; S135-K139 PolarHBondContact O-N 3.13Å; S135-K139 VanDerWaalsContact O-N 3.08Å
136D97.7Very high97.6Very high90 Ų9096.8 Ų96.848%0.48147%0.47SS..Hα-helixtrans-70.6-40179.5-66.6-25.6000111.9N132 Q133 L134 E138 K139 E140N132-D136 PolarHBondContact O-N 3.15Å; Q133-D136 PolarHBondContact O-N 3.07Å; L134-D136 VanDerWaalsContact C-N 3.35Å; D136-E138 VanDerWaalsContact C-N 3.32Å; D136-E138 PolarHBondContact O-N 2.83Å; D136-K139 PolarHBondContact O-N 3.2Å; D136-K139 IonicContact OD1-NZ 3.74Å; D136-K139 PolarHBondContact OD1-NZ 3.29Å; D136-E140 PolarHBondContact O-N 3.46Å
137Y98Very high97.5Very high149 Ų14998.2 Ų98.258%0.58447%0.472SS*.Hα-helixtrans-61.4-40.9172.3-174.6-95.6000112Q133 L134 K139 E140 M141Q133-Y137 WeakPolarHBondContact O-CB 3.44Å; Q133-Y137 PolarHBondContact O-N 3.3Å; L134-Y137 PolarHBondContact O-N 2.99Å; Y137-K139 VanDerWaalsContact C-N 3.34Å; Y137-K139 PolarHBondContact O-N 2.87Å; Y137-E140 PolarHBondContact O-N 3.47Å; Y137-M141 HydrophobicContact CD1-CG 3.88Å; Y137-M141 HydrophobicContact CE1-CG 3.46Å; Y137-M141 VanDerWaalsContact CE1-CG 3.46Å; Y137-M141 HydrophobicContact CE1-SD 4.1Å; Y137-M141 HydrophobicContact CE2-CE 4.07Å; Y137-M141 HydrophobicContact CE2-CG 4.45Å; Y137-M141 HydrophobicContact CE2-SD 4.48Å; Y137-M141 WeakPolarHBondContact O-CG 3.34Å; Y137-M141 PolarHBondContact O-N 3.36Å
138E97.9Very high97.5Very high100 Ų100101.7 Ų101.747%0.46748%0.48SS..Hα-helixtrans-61.5-42.2176.3-172.2-171.7168.400111.7L134 S135 D136 M141 K142L134-E138 WeakPolarHBondContact O-CB 3.2Å; L134-E138 PolarHBondContact O-N 3.3Å; S135-E138 PolarHBondContact O-N 3.19Å; D136-E138 VanDerWaalsContact C-N 3.32Å; D136-E138 PolarHBondContact O-N 2.83Å; E138-M141 PolarHBondContact O-N 3.26Å; E138-K142 HydrophobicContact CG-CD 4.48Å; E138-K142 WeakPolarHBondContact O-CG 3.42Å; E138-K142 PolarHBondContact O-N 3.45Å; E138-K142 VanDerWaalsContact OE1-CE 3.26Å; E138-K142 WeakPolarHBondContact OE1-CE 3.48Å; E138-K142 IonicContact OE1-NZ 3.94Å; E138-K142 PolarHBondContact OE1-NZ 3.48Å
139K97.3Very high97.5Very high120 Ų120102.8 Ų102.852%0.52248%0.479SS..Hα-helixtrans-62.3-44.9175-67.4166.2-159.7156.10111.3S135 D136 Y137 M141 K142 Y143S135-K139 WeakPolarHBondContact O-CG 3.47Å; S135-K139 PolarHBondContact O-N 3.13Å; S135-K139 VanDerWaalsContact O-N 3.08Å; D136-K139 PolarHBondContact O-N 3.2Å; D136-K139 IonicContact OD1-NZ 3.74Å; D136-K139 PolarHBondContact OD1-NZ 3.29Å; Y137-K139 VanDerWaalsContact C-N 3.34Å; Y137-K139 PolarHBondContact O-N 2.87Å; K139-M141 PolarHBondContact O-N 2.91Å; K139-K142 PolarHBondContact O-N 3.37Å; K139-Y143 WeakPolarHBondContact O-CB 3.38Å; K139-Y143 PolarHBondContact O-N 3.13Å
140E97.6Very high97.4Very high97 Ų97101.9 Ų101.945%0.45348%0.477SS..Hα-helixtrans-62.5-43.4179.3-173.658.4-154.700111.4D136 Y137 K142 Y143 I144D136-E140 PolarHBondContact O-N 3.46Å; Y137-E140 PolarHBondContact O-N 3.47Å; E140-K142 PolarHBondContact O-N 3.36Å; E140-Y143 WeakPolarHBondContact O-CB 3.32Å; E140-Y143 PolarHBondContact O-N 3.21Å; E140-I144 HydrophobicContact CG-CD1 4.04Å; E140-I144 WeakPolarHBondContact O-CG1 3.25Å; E140-I144 PolarHBondContact O-N 3.35Å
141M97.1Very high97.3Very high72 Ų72103 Ų10336%0.35548%0.478SS..Hα-helixtrans-62.8-43.6176.2-71.2-59.598.500112.3Y137 E138 K139 Y143 I144 E145Y137-M141 HydrophobicContact CD1-CG 3.88Å; Y137-M141 HydrophobicContact CE1-CG 3.46Å; Y137-M141 VanDerWaalsContact CE1-CG 3.46Å; Y137-M141 HydrophobicContact CE1-SD 4.1Å; Y137-M141 HydrophobicContact CE2-CE 4.07Å; Y137-M141 HydrophobicContact CE2-CG 4.45Å; Y137-M141 HydrophobicContact CE2-SD 4.48Å; Y137-M141 WeakPolarHBondContact O-CG 3.34Å; Y137-M141 PolarHBondContact O-N 3.36Å; E138-M141 PolarHBondContact O-N 3.26Å; K139-M141 PolarHBondContact O-N 2.91Å; M141-Y143 VanDerWaalsContact C-N 3.3Å; M141-Y143 PolarHBondContact O-N 2.86Å; M141-I144 HydrophobicContact CE-CD1 3.59Å; M141-I144 PolarHBondContact O-N 3.48Å; M141-E145 WeakPolarHBondContact O-CB 3.38Å; M141-E145 PolarHBondContact O-N 2.89Å
142K96.9Very high97.1Very high117 Ų117101.9 Ų101.951%0.50947%0.473SS..Hα-helixtrans-62.2-38.8175-73.7175.1-175.4169.40111.8E138 K139 E140 C146E138-K142 HydrophobicContact CG-CD 4.48Å; E138-K142 WeakPolarHBondContact O-CG 3.42Å; E138-K142 PolarHBondContact O-N 3.45Å; E138-K142 VanDerWaalsContact OE1-CE 3.26Å; E138-K142 WeakPolarHBondContact OE1-CE 3.48Å; E138-K142 IonicContact OE1-NZ 3.94Å; E138-K142 PolarHBondContact OE1-NZ 3.48Å; K139-K142 PolarHBondContact O-N 3.37Å; E140-K142 PolarHBondContact O-N 3.36Å; K142-C146 VanDerWaalsContact O-CB 3.27Å; K142-C146 WeakPolarHBondContact O-CB 3.46Å; K142-C146 PolarHBondContact O-N 3.5Å
143Y97.1Very high97Very high142 Ų142101.9 Ų101.956%0.55747%0.47SS*.Hα-helixtrans-63.6-48.4176.4174.9-100.7000111.6K139 E140 M141 C146 K147K139-Y143 WeakPolarHBondContact O-CB 3.38Å; K139-Y143 PolarHBondContact O-N 3.13Å; E140-Y143 WeakPolarHBondContact O-CB 3.32Å; E140-Y143 PolarHBondContact O-N 3.21Å; M141-Y143 VanDerWaalsContact C-N 3.3Å; M141-Y143 PolarHBondContact O-N 2.86Å; Y143-C146 WeakPolarHBondContact O-CB 3.43Å; Y143-C146 PolarHBondContact O-N 3.13Å; Y143-K147 PolarHBondContact O-N 3.01Å
144I97Very high96.8Very high61 Ų61104.6 Ų104.631%0.31348%0.476SS..Hα-helixtrans-60.9-46.9177.2-70.3165.5000110.7E140 M141 C146 K147 E148E140-I144 HydrophobicContact CG-CD1 4.04Å; E140-I144 WeakPolarHBondContact O-CG1 3.25Å; E140-I144 PolarHBondContact O-N 3.35Å; M141-I144 HydrophobicContact CE-CD1 3.59Å; M141-I144 PolarHBondContact O-N 3.48Å; I144-C146 VanDerWaalsContact C-N 3.33Å; I144-C146 PolarHBondContact O-N 2.88Å; I144-K147 WeakPolarHBondContact O-CB 3.38Å; I144-K147 PolarHBondContact O-N 3.02Å; I144-E148 HydrophobicContact CG2-CG 4.45Å; I144-E148 WeakPolarHBondContact O-CG 3.46Å; I144-E148 PolarHBondContact O-N 3.07Å
145E96Very high96.5Very high103 Ų103105.4 Ų105.448%0.48148%0.475SS..Hα-helixtrans-61-41.6178.2-167.6-167.317700111.8M141 E148 R149M141-E145 WeakPolarHBondContact O-CB 3.38Å; M141-E145 PolarHBondContact O-N 2.89Å; E145-E148 PolarHBondContact O-N 3.4Å; E145-R149 VanDerWaalsContact O-CB 3.31Å; E145-R149 WeakPolarHBondContact O-CB 3.42Å; E145-R149 PolarHBondContact O-N 3.47Å; E145-R149 IonicContact OE1-CZ 2.74Å; E145-R149 IonicContact OE1-NH2 3.68Å; E145-R149 PolarHBondContact OE1-NH2 3.39Å; E145-R149 IonicContact OE2-NH2 2.74Å
146C97.8Very high96.3Very high48 Ų48111.5 Ų111.532%0.32449%0.491SS..Hα-helixtrans-61.1-45.4175.6-172.20000111.3K142 Y143 I144 R149 Q150K142-C146 VanDerWaalsContact O-CB 3.27Å; K142-C146 WeakPolarHBondContact O-CB 3.46Å; K142-C146 PolarHBondContact O-N 3.5Å; Y143-C146 WeakPolarHBondContact O-CB 3.43Å; Y143-C146 PolarHBondContact O-N 3.13Å; I144-C146 VanDerWaalsContact C-N 3.33Å; I144-C146 PolarHBondContact O-N 2.88Å; C146-R149 PolarHBondContact O-N 3.44Å; C146-Q150 VanDerWaalsContact O-CG 3.29Å; C146-Q150 WeakPolarHBondContact O-CG 3.14Å; C146-Q150 PolarHBondContact O-N 3.43Å; C146-Q150 PolarHBondContact SG-NE2 3.12Å; C146-Q150 VanDerWaalsContact SG-NE2 3.36Å
147K96.4Very high96Very high128 Ų128110.6 Ų110.656%0.55749%0.485SS*.Hα-helixtrans-63-44.8177.4-170.4180-179-179.90111.7Y143 I144 R149 Q150 E151Y143-K147 PolarHBondContact O-N 3.01Å; I144-K147 WeakPolarHBondContact O-CB 3.38Å; I144-K147 PolarHBondContact O-N 3.02Å; K147-R149 VanDerWaalsContact C-N 3.33Å; K147-R149 PolarHBondContact O-N 2.66Å; K147-Q150 PolarHBondContact O-N 3Å; K147-E151 WeakPolarHBondContact O-CB 3.33Å; K147-E151 PolarHBondContact O-N 3.44Å
148E96.4Very high95.5Very high104 Ų104106.9 Ų106.949%0.48648%0.475SS..Hα-helixtrans-62.6-39.6175.6-74.2-170.4179.300112.4I144 E145 E151 K152I144-E148 HydrophobicContact CG2-CG 4.45Å; I144-E148 WeakPolarHBondContact O-CG 3.46Å; I144-E148 PolarHBondContact O-N 3.07Å; E145-E148 PolarHBondContact O-N 3.4Å; E148-E151 PolarHBondContact O-N 2.98Å; E148-K152 WeakPolarHBondContact O-CB 3.44Å; E148-K152 VanDerWaalsContact O-CG 3.28Å; E148-K152 WeakPolarHBondContact O-CG 3.35Å; E148-K152 PolarHBondContact O-N 2.97Å; E148-K152 IonicContact OE2-NZ 3.82Å
149R97.5Very high95.2Very high137 Ų137106.9 Ų106.952%0.51748%0.478SS..Hα-helixtrans-65-46.1176.8-171.7-179.1-62.9123.41.3111.1E145 C146 K147 E151 K152 E153E145-R149 VanDerWaalsContact O-CB 3.31Å; E145-R149 WeakPolarHBondContact O-CB 3.42Å; E145-R149 PolarHBondContact O-N 3.47Å; E145-R149 IonicContact OE1-CZ 2.74Å; E145-R149 IonicContact OE1-NH2 3.68Å; E145-R149 PolarHBondContact OE1-NH2 3.39Å; E145-R149 IonicContact OE2-NH2 2.74Å; C146-R149 PolarHBondContact O-N 3.44Å; K147-R149 VanDerWaalsContact C-N 3.33Å; K147-R149 PolarHBondContact O-N 2.66Å; R149-E151 VanDerWaalsContact C-N 3.31Å; R149-E151 PolarHBondContact O-N 2.96Å; R149-K152 PolarHBondContact O-N 3.35Å; R149-E153 WeakPolarHBondContact O-CB 3.46Å; R149-E153 PolarHBondContact O-N 3.31Å
150Q96.6Very high94.9Very high109 Ų109105.6 Ų105.651%0.50947%0.47SS..Hα-helixtrans-60.8-40.5175.4-72175.316.900111.7C146 K147 E153 R154C146-Q150 VanDerWaalsContact O-CG 3.29Å; C146-Q150 WeakPolarHBondContact O-CG 3.14Å; C146-Q150 PolarHBondContact O-N 3.43Å; C146-Q150 PolarHBondContact SG-NE2 3.12Å; C146-Q150 VanDerWaalsContact SG-NE2 3.36Å; K147-Q150 PolarHBondContact O-N 3Å; Q150-E153 PolarHBondContact O-N 2.88Å; Q150-R154 WeakPolarHBondContact O-CB 3.48Å; Q150-R154 PolarHBondContact O-N 3.33Å
151E95.5Very high94.5Very high93 Ų93101 Ų10144%0.43545%0.448SS..Hα-helixtrans-69.8-41.3178.8-174.459.8-161.300112.1K147 E148 R149 E153 R154 K155K147-E151 WeakPolarHBondContact O-CB 3.33Å; K147-E151 PolarHBondContact O-N 3.44Å; E148-E151 PolarHBondContact O-N 2.98Å; R149-E151 VanDerWaalsContact C-N 3.31Å; R149-E151 PolarHBondContact O-N 2.96Å; E151-E153 VanDerWaalsContact C-N 3.31Å; E151-E153 PolarHBondContact O-N 3.25Å; E151-R154 PolarHBondContact O-N 3.23Å; E151-K155 HydrophobicContact CG-CD 4.47Å; E151-K155 WeakPolarHBondContact O-CB 3.41Å; E151-K155 VanDerWaalsContact O-CG 3.29Å; E151-K155 WeakPolarHBondContact O-CG 3.48Å; E151-K155 PolarHBondContact O-N 3.21Å; E151-K155 WeakPolarHBondContact OE1-CE 3.45Å; E151-K155 IonicContact OE1-NZ 2.82Å
152K95.2Very high93.9Very high125 Ų125103 Ų10354%0.54346%0.455SS..Hα-helixtrans-60.9-42.2172.4-76.4170.1-175.6164.60111.1E148 R149 K155 R156E148-K152 WeakPolarHBondContact O-CB 3.44Å; E148-K152 VanDerWaalsContact O-CG 3.28Å; E148-K152 WeakPolarHBondContact O-CG 3.35Å; E148-K152 PolarHBondContact O-N 2.97Å; E148-K152 IonicContact OE2-NZ 3.82Å; R149-K152 PolarHBondContact O-N 3.35Å; K152-K155 PolarHBondContact O-N 3.2Å; K152-R156 WeakPolarHBondContact O-CG 3.37Å; K152-R156 PolarHBondContact O-N 2.86Å
153E95.5Very high93.4Very high87 Ų87101 Ų10141%0.40746%0.455SS..Hα-helixtrans-68.5-44.6178.9-165.258.1-154.800111.7R149 Q150 E151 K155 R156 I157R149-E153 WeakPolarHBondContact O-CB 3.46Å; R149-E153 PolarHBondContact O-N 3.31Å; Q150-E153 PolarHBondContact O-N 2.88Å; E151-E153 VanDerWaalsContact C-N 3.31Å; E151-E153 PolarHBondContact O-N 3.25Å; E153-K155 VanDerWaalsContact C-N 3.31Å; E153-K155 PolarHBondContact O-N 3.13Å; E153-R156 WeakPolarHBondContact O-CB 3.37Å; E153-R156 PolarHBondContact O-N 3.42Å; E153-R156 VanDerWaalsContact O-N 3.14Å; E153-R156 IonicContact OE2-NH1 3.57Å; E153-I157 HydrophobicContact CG-CD1 4.11Å; E153-I157 WeakPolarHBondContact O-CB 3.46Å; E153-I157 VanDerWaalsContact O-CG1 3.31Å; E153-I157 WeakPolarHBondContact O-CG1 3.39Å; E153-I157 PolarHBondContact O-N 3.02Å
154R93.2Very high93Very high158 Ų15897.1 Ų97.160%0.59644%0.443SS*.Hα-helixtrans-53.3-48.5170.1-91.1-170.5151.6107.10111.5Q150 E151 R156 I157 I158Q150-R154 WeakPolarHBondContact O-CB 3.48Å; Q150-R154 PolarHBondContact O-N 3.33Å; E151-R154 PolarHBondContact O-N 3.23Å; R154-R156 PolarHBondContact O-N 3.25Å; R154-I157 PolarHBondContact O-N 3.21Å; R154-I158 WeakPolarHBondContact O-CB 3.44Å; R154-I158 WeakPolarHBondContact O-CD1 3.32Å; R154-I158 VanDerWaalsContact O-CG1 3.23Å; R154-I158 WeakPolarHBondContact O-CG1 3.37Å; R154-I158 PolarHBondContact O-N 3.16Å
155K92Very high92.3Very high128 Ų12897.4 Ų97.456%0.55744%0.442SS*.Hα-helixtrans-62.2-41177.7-75.2174.4-176.7172.20112.3E151 K152 E153 I158 N159E151-K155 HydrophobicContact CG-CD 4.47Å; E151-K155 WeakPolarHBondContact O-CB 3.41Å; E151-K155 VanDerWaalsContact O-CG 3.29Å; E151-K155 WeakPolarHBondContact O-CG 3.48Å; E151-K155 PolarHBondContact O-N 3.21Å; E151-K155 WeakPolarHBondContact OE1-CE 3.45Å; E151-K155 IonicContact OE1-NZ 2.82Å; K152-K155 PolarHBondContact O-N 3.2Å; E153-K155 VanDerWaalsContact C-N 3.31Å; E153-K155 PolarHBondContact O-N 3.13Å; K155-I158 PolarHBondContact O-N 3.03Å; K155-N159 WeakPolarHBondContact O-CB 3.4Å; K155-N159 PolarHBondContact O-N 3.22Å
156R94.7Very high91.7Very high173 Ų17399.2 Ų99.265%0.65345%0.449SS*.Hα-helixtrans-61.2-48.7175.2-78.5175.1176.1178.2-2.9111.7K152 E153 R154 N159 W160K152-R156 WeakPolarHBondContact O-CG 3.37Å; K152-R156 PolarHBondContact O-N 2.86Å; E153-R156 WeakPolarHBondContact O-CB 3.37Å; E153-R156 PolarHBondContact O-N 3.42Å; E153-R156 VanDerWaalsContact O-N 3.14Å; E153-R156 IonicContact OE2-NH1 3.57Å; R154-R156 PolarHBondContact O-N 3.25Å; R156-N159 PolarHBondContact O-N 3.06Å; R156-W160 WeakPolarHBondContact O-CB 3.36Å; R156-W160 PolarHBondContact O-N 3.16Å
157I89.9Confident91.1Very high72 Ų7298.3 Ų98.337%0.36944%0.441SS..Hα-helixtrans-60.4-46.5178.4-69.9169.7000110.6E153 R154 W160 A161 L191E153-I157 HydrophobicContact CG-CD1 4.11Å; E153-I157 WeakPolarHBondContact O-CB 3.46Å; E153-I157 VanDerWaalsContact O-CG1 3.31Å; E153-I157 WeakPolarHBondContact O-CG1 3.39Å; E153-I157 PolarHBondContact O-N 3.02Å; R154-I157 PolarHBondContact O-N 3.21Å; I157-W160 PolarHBondContact O-N 3.42Å; I157-A161 WeakPolarHBondContact O-CB 3.34Å; I157-A161 PolarHBondContact O-N 2.9Å; I157-L191 HydrophobicContact CG2-CD1 4.1Å; I157-L191 HydrophobicContact CG2-CD2 3.22Å; I157-L191 HydrophobicContact CG2-CG 4.28Å
158I88.4Confident90.4Very high70 Ų7093 Ų9336%0.35942%0.419SS..Hα-helixtrans-64-42.1176.9-69.6166.2000111.1R154 K155 A161 K162R154-I158 WeakPolarHBondContact O-CB 3.44Å; R154-I158 WeakPolarHBondContact O-CD1 3.32Å; R154-I158 VanDerWaalsContact O-CG1 3.23Å; R154-I158 WeakPolarHBondContact O-CG1 3.37Å; R154-I158 PolarHBondContact O-N 3.16Å; K155-I158 PolarHBondContact O-N 3.03Å; I158-A161 PolarHBondContact O-N 3.48Å; I158-K162 HydrophobicContact CG2-CD 4.45Å; I158-K162 WeakPolarHBondContact O-CG 3.49Å; I158-K162 PolarHBondContact O-N 3.47Å
159N90.4Very high89.6Confident100 Ų10089.6 Ų89.654%0.53541%0.407SS..Hα-helixtrans-67.3-40.2179-163.861.1000111.7K155 R156 A161 K162 S163K155-N159 WeakPolarHBondContact O-CB 3.4Å; K155-N159 PolarHBondContact O-N 3.22Å; R156-N159 PolarHBondContact O-N 3.06Å; N159-A161 VanDerWaalsContact C-N 3.32Å; N159-A161 PolarHBondContact O-N 3.49Å; N159-K162 WeakPolarHBondContact O-CB 3.2Å; N159-K162 PolarHBondContact O-N 3.28Å; N159-S163 PolarHBondContact O-N 2.81Å; N159-S163 VanDerWaalsContact O-N 3.16Å; N159-S163 PolarHBondContact O-OG 3.28Å
160W91.3Very high88.7Confident93 Ų9387.1 Ų87.135%0.35241%0.407SS..Hα-helixtrans-58.4-46.2170.7178.887.3000110.6R156 I157 K162 S163 H164 Y177 L192R156-W160 WeakPolarHBondContact O-CB 3.36Å; R156-W160 PolarHBondContact O-N 3.16Å; I157-W160 PolarHBondContact O-N 3.42Å; W160-K162 PolarHBondContact O-N 2.9Å; W160-S163 PolarHBondContact O-N 3.24Å; W160-H164 AromaticContact CD1-CE1 3.38Å; W160-H164 AromaticContact CD1-ND1 3.44Å; W160-H164 AromaticContact CD2-ND1 3.91Å; W160-H164 AromaticContact CE2-CG 3.84Å; W160-H164 AromaticContact CE2-ND1 3.69Å; W160-H164 AromaticContact CG-ND1 3.75Å; W160-H164 HydrophobicContact CH2-CB 4.45Å; W160-H164 HydrophobicContact CZ2-CB 4.23Å; W160-H164 AromaticContact NE1-CE1 3.3Å; W160-H164 PolarHBondContact NE1-CE1 2.85Å; W160-H164 VanDerWaalsContact NE1-CE1 3.3Å; W160-H164 AromaticContact NE1-CG 3.85Å; W160-H164 AromaticContact NE1-ND1 3.38Å; W160-H164 PolarHBondContact NE1-ND1 3.07Å; W160-H164 AromaticContact NE1-NE2 3.7Å; W160-H164 WeakPolarHBondContact O-CB 3.32Å; W160-H164 PolarHBondContact O-N 3.42Å; W160-H164 PolarHBondContact O-ND1 3.06Å; W160-Y177 HydrophobicContact CH2-CE2 4.01Å; W160-Y177 AromaticContact CH2-CZ 3.91Å; W160-Y177 WeakPolarHBondContact CH2-OH 3.4Å; W160-Y177 WeakPolarHBondContact CZ2-OH 3.48Å; W160-L192 HydrophobicContact CH2-CD2 4.49Å; W160-L192 HydrophobicContact CZ3-CD2 3.92Å
161A89.3Confident87.6Confident0 Ų088.5 Ų88.50%043%0.427CS..Hα-helixtrans-62.6-39.517800000112.9I157 I158 N159 S163 H164 H165 L191 L192 V195I157-A161 WeakPolarHBondContact O-CB 3.34Å; I157-A161 PolarHBondContact O-N 2.9Å; I158-A161 PolarHBondContact O-N 3.48Å; N159-A161 VanDerWaalsContact C-N 3.32Å; N159-A161 PolarHBondContact O-N 3.49Å; A161-S163 VanDerWaalsContact C-N 3.33Å; A161-S163 PolarHBondContact O-N 3.22Å; A161-H164 CarbonylContact O-C 3.54Å; A161-H164 PolarHBondContact O-N 3.45Å; A161-H165 WeakPolarHBondContact O-CA 3.41Å; A161-H165 WeakPolarHBondContact O-CB 3.46Å; A161-H165 PolarHBondContact O-N 3.1Å; A161-L191 HydrophobicContact CB-CD2 4.1Å; A161-L191 HydrophobicContact CB-CG 3.95Å; A161-L192 HydrophobicContact CB-CD2 3.9Å; A161-V195 HydrophobicContact CB-CG2 3.93Å
162K85.2Confident86.9Confident116 Ų11689.8 Ų89.850%0.50445%0.445SS..Hα-helixtrans-56-46.2172.2-73.6171.3-179179.80112.3I158 N159 W160 H165 V195I158-K162 HydrophobicContact CG2-CD 4.45Å; I158-K162 WeakPolarHBondContact O-CG 3.49Å; I158-K162 PolarHBondContact O-N 3.47Å; N159-K162 WeakPolarHBondContact O-CB 3.2Å; N159-K162 PolarHBondContact O-N 3.28Å; W160-K162 PolarHBondContact O-N 2.9Å; K162-H165 PolarHBondContact O-ND1 2.93Å; K162-V195 HydrophobicContact CB-CG1 4.05Å; K162-V195 HydrophobicContact CG-CG1 3.31Å
163S86.1Confident86.1Confident73 Ų7390.6 Ų90.651%0.5145%0.451SS..Hα-helixtrans-72.8-26.5179.9-63.50000113.6N159 W160 A161 F166N159-S163 PolarHBondContact O-N 2.81Å; N159-S163 VanDerWaalsContact O-N 3.16Å; N159-S163 PolarHBondContact O-OG 3.28Å; W160-S163 PolarHBondContact O-N 3.24Å; A161-S163 VanDerWaalsContact C-N 3.33Å; A161-S163 PolarHBondContact O-N 3.22Å; S163-F166 WeakPolarHBondContact O-CE1 3.35Å
164H88.1Confident85.3Confident62 Ų6290.6 Ų90.629%0.28746%0.458SS..Hα-helixtrans-113.911.6-172.8-61.382.5000113.9W160 A161 F166 L167 L192W160-H164 AromaticContact CD1-CE1 3.38Å; W160-H164 AromaticContact CD1-ND1 3.44Å; W160-H164 AromaticContact CD2-ND1 3.91Å; W160-H164 AromaticContact CE2-CG 3.84Å; W160-H164 AromaticContact CE2-ND1 3.69Å; W160-H164 AromaticContact CG-ND1 3.75Å; W160-H164 HydrophobicContact CH2-CB 4.45Å; W160-H164 HydrophobicContact CZ2-CB 4.23Å; W160-H164 AromaticContact NE1-CE1 3.3Å; W160-H164 PolarHBondContact NE1-CE1 2.85Å; W160-H164 VanDerWaalsContact NE1-CE1 3.3Å; W160-H164 AromaticContact NE1-CG 3.85Å; W160-H164 AromaticContact NE1-ND1 3.38Å; W160-H164 PolarHBondContact NE1-ND1 3.07Å; W160-H164 AromaticContact NE1-NE2 3.7Å; W160-H164 WeakPolarHBondContact O-CB 3.32Å; W160-H164 PolarHBondContact O-N 3.42Å; W160-H164 PolarHBondContact O-ND1 3.06Å; A161-H164 CarbonylContact O-C 3.54Å; A161-H164 PolarHBondContact O-N 3.45Å; H164-F166 PolarHBondContact O-N 3.13Å; H164-L167 HydrophobicContact CB-CD1 3.88Å; H164-L167 HydrophobicContact CB-CG 4.32Å; H164-L167 VanDerWaalsContact O-CB 3.28Å; H164-L167 WeakPolarHBondContact O-CB 3.34Å; H164-L167 WeakPolarHBondContact O-CG 3.37Å; H164-L167 PolarHBondContact O-N 3.48Å; H164-L192 HydrophobicContact CB-CD2 4.28Å
165H83.9Confident84.5Confident67 Ų6783.7 Ų83.731%0.3144%0.436SS..G310 helixtrans-57.1-28.8-174.372-85.9000113.6A161 K162 L167 V168 I196A161-H165 WeakPolarHBondContact O-CA 3.41Å; A161-H165 WeakPolarHBondContact O-CB 3.46Å; A161-H165 PolarHBondContact O-N 3.1Å; K162-H165 PolarHBondContact O-ND1 2.93Å; H165-L167 PolarHBondContact O-N 3.43Å; H165-L167 VanDerWaalsContact O-N 3.12Å; H165-V168 WeakPolarHBondContact O-CB 3.42Å; H165-V168 VanDerWaalsContact O-CG2 3.23Å; H165-V168 WeakPolarHBondContact O-CG2 3.32Å; H165-V168 PolarHBondContact O-N 2.92Å; H165-I196 HydrophobicContact CB-CD1 4.15Å; H165-I196 HydrophobicContact CB-CG1 3.71Å
166F82.6Confident83.9Confident141 Ų14184.2 Ų84.262%0.61844%0.444SS*.G310 helixtrans-64.3-11.4175.864.6-97.8000114.1S163 H164 V168S163-F166 WeakPolarHBondContact O-CE1 3.35Å; H164-F166 PolarHBondContact O-N 3.13Å; F166-V168 PolarHBondContact O-N 3.37Å
167L84.9Confident83Confident28 Ų2878.6 Ų78.615%0.14742%0.423CS..G310 helixtrans-76-6174.5-63.3-178.4000113.6H164 H165 G175 I176 Y177 L192H164-L167 HydrophobicContact CB-CD1 3.88Å; H164-L167 HydrophobicContact CB-CG 4.32Å; H164-L167 VanDerWaalsContact O-CB 3.28Å; H164-L167 WeakPolarHBondContact O-CB 3.34Å; H164-L167 WeakPolarHBondContact O-CG 3.37Å; H164-L167 PolarHBondContact O-N 3.48Å; H165-L167 PolarHBondContact O-N 3.43Å; H165-L167 VanDerWaalsContact O-N 3.12Å; L167-G175 WeakPolarHBondContact O-CA 3.26Å; L167-I176 HydrophobicContact CD2-CD1 3.83Å; L167-I176 HydrophobicContact CD2-CG1 4.44Å; L167-Y177 HydrophobicContact CB-CD2 4.31Å; L167-Y177 HydrophobicContact CB-CE2 3.97Å; L167-Y177 HydrophobicContact CD1-CE2 3.81Å; L167-L192 HydrophobicContact CB-CD1 4.34Å
168V82.9Confident82.3Confident16 Ų1680 Ų8010%0.09743%0.426CS..SBendtrans-65.8145173.4171.50000110.1H165 F166 E189 L192 L193 I196H165-V168 WeakPolarHBondContact O-CB 3.42Å; H165-V168 VanDerWaalsContact O-CG2 3.23Å; H165-V168 WeakPolarHBondContact O-CG2 3.32Å; H165-V168 PolarHBondContact O-N 2.92Å; F166-V168 PolarHBondContact O-N 3.37Å; V168-E189 HydrophobicContact CG1-CG 4.27Å; V168-E189 HydrophobicContact CG2-CG 4.37Å; V168-L192 HydrophobicContact CG2-CB 3.19Å; V168-L192 HydrophobicContact CG2-CD1 3.9Å; V168-L192 HydrophobicContact CG2-CG 4.16Å; V168-L193 HydrophobicContact CG1-CD1 4.43Å; V168-L193 HydrophobicContact CG1-CD2 3.75Å; V168-L193 HydrophobicContact CG1-CG 3.85Å; V168-L193 HydrophobicContact CG2-CG 4.29Å; V168-I196 HydrophobicContact CB-CD1 4.2Å; V168-I196 HydrophobicContact CG1-CD1 4.43Å; V168-I196 HydrophobicContact CG2-CD1 3.97Å
169S79.3Confident81.5Confident33 Ų3379.3 Ų79.323%0.23142%0.423CS..PPolyproline II helixtrans-64.4136.7173.966.20000111.9G175 E189S169-G175 VanDerWaalsContact CA-N 3.29Å; S169-E189 VanDerWaalsContact CB-OE1 3.23Å; S169-E189 WeakPolarHBondContact CB-OE1 3.46Å; S169-E189 PolarHBondContact N-OE1 3.05Å; S169-E189 PolarHBondContact OG-OE1 3.4Å
170T77.2Confident80.6Confident86 Ų8680.3 Ų80.353%0.52844%0.436SS..PPolyproline II helixtrans-96.2166170.159.40000109.1C172 Q173T170-C172 PolarHBondContact O-N 3.48Å; T170-C172 VanDerWaalsContact O-N 3.14Å; T170-Q173 PolarHBondContact N-O 3.32Å; T170-Q173 PolarHBondContact O-N 3.47Å; T170-Q173 PolarHBondContact OG1-N 3Å; T170-Q173 VanDerWaalsContact OG1-N 3.08Å; T170-Q173 PolarHBondContact OG1-O 3.04Å
171C74.5Confident79.5Confident138 Ų13881.7 Ų81.793%0.93245%0.454SS*.SBendtrans-57.7-26.4174.3550000112.8
172C79.7Confident78.1Confident119 Ų11986.1 Ų86.180%0.80448%0.478SS*.SBendtrans-94.5-29.9-177.6-60.80000113.9T170T170-C172 PolarHBondContact O-N 3.48Å; T170-C172 VanDerWaalsContact O-N 3.14Å
173Q78.9Confident76.9Confident143 Ų14389.3 Ų89.367%0.66849%0.494SS*.SBendtrans-141.8127.9-175.3-176.9142.5-50.400112.1T170T170-Q173 PolarHBondContact N-O 3.32Å; T170-Q173 PolarHBondContact O-N 3.47Å; T170-Q173 PolarHBondContact OG1-N 3Å; T170-Q173 VanDerWaalsContact OG1-N 3.08Å; T170-Q173 PolarHBondContact OG1-O 3.04Å
174P78.1Confident75.7Confident86 Ų8689.4 Ų89.456%0.55850%0.499SS*.  trans-63.7134.3174.627.9-36.1000111.3K178P174-K178 HydrophobicContact CB-CB 4.12Å; P174-K178 HydrophobicContact CB-CD 3.74Å; P174-K178 HydrophobicContact CB-CG 4.23Å
175G77.1Confident74.5Confident14 Ų1490.2 Ų90.214%0.14451%0.505CS..  trans-74.3164.3175.500000111.2L167 S169 Y177 K178L167-G175 WeakPolarHBondContact O-CA 3.26Å; S169-G175 VanDerWaalsContact CA-N 3.29Å; G175-Y177 PolarHBondContact O-N 3.22Å; G175-Y177 VanDerWaalsContact O-N 3.08Å; G175-K178 WeakPolarHBondContact O-CB 3.33Å; G175-K178 PolarHBondContact O-N 2.99Å
176I79.3Confident74.1Confident139 Ų13990.2 Ų90.271%0.71351%0.507SS*.THydrogen-bonded Turntrans-59.6-26.8-175.3-60.3179.7000112.2L167L167-I176 HydrophobicContact CD2-CD1 3.83Å; L167-I176 HydrophobicContact CD2-CG1 4.44Å
177Y76.7Confident73.8Confident55 Ų5589.5 Ų89.522%0.21651%0.51CS..THydrogen-bonded Turntrans-87.9-2.9178.6-58.9-59.3000114.3W160 L167 G175 N179 I186 K188 L192W160-Y177 HydrophobicContact CH2-CE2 4.01Å; W160-Y177 AromaticContact CH2-CZ 3.91Å; W160-Y177 WeakPolarHBondContact CH2-OH 3.4Å; W160-Y177 WeakPolarHBondContact CZ2-OH 3.48Å; L167-Y177 HydrophobicContact CB-CD2 4.31Å; L167-Y177 HydrophobicContact CB-CE2 3.97Å; L167-Y177 HydrophobicContact CD1-CE2 3.81Å; G175-Y177 PolarHBondContact O-N 3.22Å; G175-Y177 VanDerWaalsContact O-N 3.08Å; Y177-N179 PolarHBondContact O-N 3.45Å; Y177-I186 WeakPolarHBondContact O-CD1 3.45Å; Y177-K188 HydrophobicContact CD1-CD 4.12Å; Y177-K188 HydrophobicContact CE1-CD 4.06Å; Y177-L192 HydrophobicContact CD2-CD1 3.82Å; Y177-L192 HydrophobicContact CE2-CD1 3.9Å
178K75.6Confident73.6Confident101 Ų10193.6 Ų93.644%0.43953%0.526SS..  trans-80.8105.3177.5-172.6163.4172.2-174.70109.2P174 G175P174-K178 HydrophobicContact CB-CB 4.12Å; P174-K178 HydrophobicContact CB-CD 3.74Å; P174-K178 HydrophobicContact CB-CG 4.23Å; G175-K178 WeakPolarHBondContact O-CB 3.33Å; G175-K178 PolarHBondContact O-N 2.99Å
179N70.7Confident73.5Confident55 Ų5593.3 Ų93.329%0.29452%0.524SS..  trans-69.9126173.6-176.2-5.4000108.8Y177 V181 D182 I186Y177-N179 PolarHBondContact O-N 3.45Å; N179-V181 PolarHBondContact O-N 2.96Å; N179-V181 PolarHBondContact OD1-N 3.22Å; N179-D182 HydrophobicContact CB-CB 4.18Å; N179-D182 PolarHBondContact ND2-OD2 3.41Å; N179-D182 VanDerWaalsContact O-O 3.05Å; N179-I186 HydrophobicContact CB-CD1 4.28Å
180P70.5Confident73.5Confident122 Ų12297 Ų9779%0.79254%0.536SS*.SBendtrans-67.2-22.7176.525.3-33.7000113.4
181V69.5Low73.9Confident121 Ų12195.1 Ų95.173%0.73352%0.522SS*.SBendtrans-87.1-44-178.9-174.70000111.3N179N179-V181 PolarHBondContact O-N 2.96Å; N179-V181 PolarHBondContact OD1-N 3.22Å
182D58.5Low74.3Confident94 Ų9488.6 Ų88.650%0.50348%0.478SS..  trans-96.5105177.9-65.1-39.5000110.2N179 A184N179-D182 HydrophobicContact CB-CB 4.18Å; N179-D182 PolarHBondContact ND2-OD2 3.41Å; N179-D182 VanDerWaalsContact O-O 3.05Å; D182-A184 PolarHBondContact O-N 2.99Å; D182-A184 VanDerWaalsContact O-N 3.12Å
183Q61.6Low74.3Confident182 Ų18285.9 Ų85.985%0.8546%0.455SS*.  trans-64.5-12172.8-132.9104.58.700113L185Q183-L185 PolarHBondContact O-N 3.32Å
184A60.3Low74.5Confident75 Ų7581.8 Ų81.862%0.6244%0.443SS*.SBendtrans-71.6125.9-177.100000111.6D182 I186D182-A184 PolarHBondContact O-N 2.99Å; D182-A184 VanDerWaalsContact O-N 3.12Å; A184-I186 PolarHBondContact O-N 2.98Å
185L63.6Low74.8Confident79 Ų7978.5 Ų78.541%0.41442%0.421SS..  trans-59.2107.7178.3-17370.7000110.8Q183 E189 K190 L193Q183-L185 PolarHBondContact O-N 3.32Å; L185-E189 HydrophobicContact CD1-CB 3.7Å; L185-E189 HydrophobicContact CD1-CG 3.66Å; L185-E189 WeakPolarHBondContact CD1-OE2 3.4Å; L185-E189 HydrophobicContact CG-CB 4.37Å; L185-K190 HydrophobicContact CD2-CD 4.3Å; L185-K190 HydrophobicContact CD2-CG 3.38Å; L185-K190 HydrophobicContact CG-CG 3.77Å; L185-K190 WeakPolarHBondContact O-CE 3.37Å; L185-L193 HydrophobicContact CD1-CD1 4.22Å; L185-L193 HydrophobicContact CD2-CD1 4.22Å
186I75.2Confident74.6Confident68 Ų6879.7 Ų79.735%0.34942%0.424SS..  trans-63.6143-178-55.3-171.8000109.7Y177 N179 A184 K188 E189 K190Y177-I186 WeakPolarHBondContact O-CD1 3.45Å; N179-I186 HydrophobicContact CB-CD1 4.28Å; A184-I186 PolarHBondContact O-N 2.98Å; I186-K188 HydrophobicContact CG2-CB 4.37Å; I186-K188 PolarHBondContact O-N 3.14Å; I186-E189 PolarHBondContact O-N 3.03Å; I186-K190 PolarHBondContact O-N 2.98Å
187D75.9Confident73.8Confident126 Ų12677.8 Ų77.867%0.67442%0.415SS*.Hα-helixtrans-50.6-31-179.1-68.9-24.6000113.7L191D187-L191 PolarHBondContact O-N 3.43Å; D187-L191 VanDerWaalsContact O-N 3.14Å
188K80.3Confident72.9Confident114 Ų11481.3 Ų81.350%0.49643%0.433SS..Hα-helixtrans-64-42173.9-68.6-172.6179.5178.60112.8Y177 I186 L191 L192Y177-K188 HydrophobicContact CD1-CD 4.12Å; Y177-K188 HydrophobicContact CE1-CD 4.06Å; I186-K188 HydrophobicContact CG2-CB 4.37Å; I186-K188 PolarHBondContact O-N 3.14Å; K188-L191 PolarHBondContact O-N 3.36Å; K188-L192 VanDerWaalsContact O-CG 3.3Å; K188-L192 WeakPolarHBondContact O-CG 3.48Å; K188-L192 PolarHBondContact O-N 3.49Å; K188-L192 VanDerWaalsContact O-N 3.16Å
189E80.5Confident72Confident9 Ų981 Ų814%0.04243%0.433CS..Hα-helixtrans-71.7-38.5-179.1-161171.7-172.300111V168 S169 L185 I186 L191 L192 L193V168-E189 HydrophobicContact CG1-CG 4.27Å; V168-E189 HydrophobicContact CG2-CG 4.37Å; S169-E189 VanDerWaalsContact CB-OE1 3.23Å; S169-E189 WeakPolarHBondContact CB-OE1 3.46Å; S169-E189 PolarHBondContact N-OE1 3.05Å; S169-E189 PolarHBondContact OG-OE1 3.4Å; L185-E189 HydrophobicContact CD1-CB 3.7Å; L185-E189 HydrophobicContact CD1-CG 3.66Å; L185-E189 WeakPolarHBondContact CD1-OE2 3.4Å; L185-E189 HydrophobicContact CG-CB 4.37Å; I186-E189 PolarHBondContact O-N 3.03Å; E189-L191 VanDerWaalsContact C-N 3.34Å; E189-L191 PolarHBondContact O-N 3.26Å; E189-L192 PolarHBondContact O-N 3.14Å; E189-L193 HydrophobicContact CG-CD1 4.3Å; E189-L193 WeakPolarHBondContact O-CD1 3.35Å; E189-L193 WeakPolarHBondContact O-CG 3.37Å; E189-L193 PolarHBondContact O-N 2.95Å
190K80.2Confident71.2Confident112 Ų11284.1 Ų84.149%0.48745%0.445SS..Hα-helixtrans-56.6-45.7171-71.4179.1-172.2164.80112.5L185 I186 L192 L193 S194L185-K190 HydrophobicContact CD2-CD 4.3Å; L185-K190 HydrophobicContact CD2-CG 3.38Å; L185-K190 HydrophobicContact CG-CG 3.77Å; L185-K190 WeakPolarHBondContact O-CE 3.37Å; I186-K190 PolarHBondContact O-N 2.98Å; K190-L192 VanDerWaalsContact C-N 3.35Å; K190-L193 PolarHBondContact O-N 3.45Å; K190-S194 PolarHBondContact O-N 3.09Å; K190-S194 VanDerWaalsContact O-N 3.07Å
191L85.2Confident70.4Confident46 Ų4681.1 Ų81.124%0.24143%0.427CS..Hα-helixtrans-60.3-45.4177.4174.772.2000111.2I157 A161 D187 K188 E189 S194I157-L191 HydrophobicContact CG2-CD1 4.1Å; I157-L191 HydrophobicContact CG2-CD2 3.22Å; I157-L191 HydrophobicContact CG2-CG 4.28Å; A161-L191 HydrophobicContact CB-CD2 4.1Å; A161-L191 HydrophobicContact CB-CG 3.95Å; D187-L191 PolarHBondContact O-N 3.43Å; D187-L191 VanDerWaalsContact O-N 3.14Å; K188-L191 PolarHBondContact O-N 3.36Å; E189-L191 VanDerWaalsContact C-N 3.34Å; E189-L191 PolarHBondContact O-N 3.26Å; L191-S194 PolarHBondContact O-N 3.39Å; L191-S194 PolarHBondContact O-OG 2.96Å
192L83.7Confident69.6Low0 Ų079.4 Ų79.40%041%0.413CS..Hα-helixtrans-64.6-44.2-179.9-65.9166.7000111.6W160 A161 H164 L167 V168 Y177 K188 E189 K190 S194 V195 I196W160-L192 HydrophobicContact CH2-CD2 4.49Å; W160-L192 HydrophobicContact CZ3-CD2 3.92Å; A161-L192 HydrophobicContact CB-CD2 3.9Å; H164-L192 HydrophobicContact CB-CD2 4.28Å; L167-L192 HydrophobicContact CB-CD1 4.34Å; V168-L192 HydrophobicContact CG2-CB 3.19Å; V168-L192 HydrophobicContact CG2-CD1 3.9Å; V168-L192 HydrophobicContact CG2-CG 4.16Å; Y177-L192 HydrophobicContact CD2-CD1 3.82Å; Y177-L192 HydrophobicContact CE2-CD1 3.9Å; K188-L192 VanDerWaalsContact O-CG 3.3Å; K188-L192 WeakPolarHBondContact O-CG 3.48Å; K188-L192 PolarHBondContact O-N 3.49Å; K188-L192 VanDerWaalsContact O-N 3.16Å; E189-L192 PolarHBondContact O-N 3.14Å; K190-L192 VanDerWaalsContact C-N 3.35Å; L192-S194 VanDerWaalsContact C-N 3.33Å; L192-S194 PolarHBondContact O-N 3.01Å; L192-V195 PolarHBondContact O-N 3.34Å; L192-I196 PolarHBondContact O-N 2.91Å
193L79.7Confident69.2Low62 Ų6281.8 Ų81.833%0.32542%0.419SS..Hα-helixtrans-57.3-43.6176-79.2157000112.2V168 L185 E189 K190 V195 I196 D197V168-L193 HydrophobicContact CG1-CD1 4.43Å; V168-L193 HydrophobicContact CG1-CD2 3.75Å; V168-L193 HydrophobicContact CG1-CG 3.85Å; V168-L193 HydrophobicContact CG2-CG 4.29Å; L185-L193 HydrophobicContact CD1-CD1 4.22Å; L185-L193 HydrophobicContact CD2-CD1 4.22Å; E189-L193 HydrophobicContact CG-CD1 4.3Å; E189-L193 WeakPolarHBondContact O-CD1 3.35Å; E189-L193 WeakPolarHBondContact O-CG 3.37Å; E189-L193 PolarHBondContact O-N 2.95Å; K190-L193 PolarHBondContact O-N 3.45Å; L193-V195 PolarHBondContact O-N 3.49Å; L193-I196 WeakPolarHBondContact O-CB 3.47Å; L193-I196 PolarHBondContact O-N 3.33Å; L193-D197 PolarHBondContact O-N 2.8Å
194S82.8Confident68.7Low58 Ų5878.8 Ų78.841%0.40641%0.408SS..Hα-helixtrans-58.6-24.2-179.975.90000114.1K190 L191 L192 H198K190-S194 PolarHBondContact O-N 3.09Å; K190-S194 VanDerWaalsContact O-N 3.07Å; L191-S194 PolarHBondContact O-N 3.39Å; L191-S194 PolarHBondContact O-OG 2.96Å; L192-S194 VanDerWaalsContact C-N 3.33Å; L192-S194 PolarHBondContact O-N 3.01Å; S194-H198 PolarHBondContact O-CD2 3.07Å
195V84.3Confident68.1Low17 Ų1782 Ų8210%0.10341%0.408CS..Hα-helixtrans-87.4-29.5179176.40000111.9A161 K162 L192 L193 H198 H199A161-V195 HydrophobicContact CB-CG2 3.93Å; K162-V195 HydrophobicContact CB-CG1 4.05Å; K162-V195 HydrophobicContact CG-CG1 3.31Å; L192-V195 PolarHBondContact O-N 3.34Å; L193-V195 PolarHBondContact O-N 3.49Å; V195-H198 PolarHBondContact O-N 3.41Å; V195-H199 PolarHBondContact O-N 2.96Å; V195-H199 VanDerWaalsContact O-N 3.15Å
196I71.8Confident67.1Low39 Ų3986 Ų8620%0.242%0.422CS..Hα-helixtrans-64.5-49.2179-64.1173.8000110.2H165 V168 L192 L193 H198 H199 E200H165-I196 HydrophobicContact CB-CD1 4.15Å; H165-I196 HydrophobicContact CB-CG1 3.71Å; V168-I196 HydrophobicContact CB-CD1 4.2Å; V168-I196 HydrophobicContact CG1-CD1 4.43Å; V168-I196 HydrophobicContact CG2-CD1 3.97Å; L192-I196 PolarHBondContact O-N 2.91Å; L193-I196 WeakPolarHBondContact O-CB 3.47Å; L193-I196 PolarHBondContact O-N 3.33Å; I196-H198 PolarHBondContact O-N 3.34Å; I196-H199 WeakPolarHBondContact O-CA 3.29Å; I196-H199 WeakPolarHBondContact O-CB 3.49Å; I196-H199 PolarHBondContact O-N 2.99Å; I196-E200 PolarHBondContact O-N 3.21Å
197D63Low65.5Low98 Ų9891.9 Ų91.952%0.52445%0.445SS..Hα-helixtrans-55.3-38.6-179.8-68.2-12.7000111.9L193 S201L193-D197 PolarHBondContact O-N 2.8Å; D197-S201 WeakPolarHBondContact O-CB 3.27Å; D197-S201 PolarHBondContact O-N 3.1Å; D197-S201 PolarHBondContact O-OG 2.98Å
198H57.4Low63.7Low129 Ų12993.6 Ų93.660%0.59745%0.449SS*.Hα-helixtrans-69.7-39.1175.5-81.1-51.5000112.7S194 V195 I196 E200 S201 I202S194-H198 PolarHBondContact O-CD2 3.07Å; V195-H198 PolarHBondContact O-N 3.41Å; I196-H198 PolarHBondContact O-N 3.34Å; H198-E200 VanDerWaalsContact C-N 3.32Å; H198-E200 PolarHBondContact O-N 3.34Å; H198-S201 PolarHBondContact O-N 3.5Å; H198-I202 WeakPolarHBondContact O-CB 3.16Å; H198-I202 WeakPolarHBondContact O-CD1 3.31Å; H198-I202 WeakPolarHBondContact O-CG1 3.38Å; H198-I202 PolarHBondContact O-N 3.42Å
199H57.1Low61.7Low96 Ų9695.8 Ų95.844%0.44446%0.461SS..Hα-helixtrans-66.3-36.7178.1-161.5-91.4000111.6V195 I196 I202 K203V195-H199 PolarHBondContact O-N 2.96Å; V195-H199 VanDerWaalsContact O-N 3.15Å; I196-H199 WeakPolarHBondContact O-CA 3.29Å; I196-H199 WeakPolarHBondContact O-CB 3.49Å; I196-H199 PolarHBondContact O-N 2.99Å; H199-I202 PolarHBondContact O-N 3.01Å; H199-K203 PolarHBondContact O-N 3.37Å
200E54.7Low59.3Low119 Ų119102.4 Ų102.456%0.55650%0.496SS*.Hα-helixtrans-65.8-44.6171.7-71.5-166.5157.300112I196 H198 I202 K203 I204I196-E200 PolarHBondContact O-N 3.21Å; H198-E200 VanDerWaalsContact C-N 3.32Å; H198-E200 PolarHBondContact O-N 3.34Å; E200-I202 VanDerWaalsContact C-N 3.3Å; E200-I202 PolarHBondContact O-N 3.43Å; E200-K203 PolarHBondContact O-N 3.3Å; E200-K203 VanDerWaalsContact O-N 3.16Å; E200-I204 WeakPolarHBondContact O-CG1 3.49Å; E200-I204 PolarHBondContact O-N 2.89Å
201S52.5Low57.1Low59 Ų59105.4 Ų105.441%0.41351%0.512SS..Hα-helixtrans-60-38.9175.4-60.30000112.7D197 H198 I204 K205D197-S201 WeakPolarHBondContact O-CB 3.27Å; D197-S201 PolarHBondContact O-N 3.1Å; D197-S201 PolarHBondContact O-OG 2.98Å; H198-S201 PolarHBondContact O-N 3.5Å; S201-I204 PolarHBondContact O-N 3.33Å; S201-K205 PolarHBondContact O-N 3.14Å
202I53.9Low54.5Low85 Ų85108 Ų10844%0.43653%0.533SS..Hα-helixtrans-69.4-37.3177.4-67.8161.4000110.9H198 H199 E200 I204 K205 K206H198-I202 WeakPolarHBondContact O-CB 3.16Å; H198-I202 WeakPolarHBondContact O-CD1 3.31Å; H198-I202 WeakPolarHBondContact O-CG1 3.38Å; H198-I202 PolarHBondContact O-N 3.42Å; H199-I202 PolarHBondContact O-N 3.01Å; E200-I202 VanDerWaalsContact C-N 3.3Å; E200-I202 PolarHBondContact O-N 3.43Å; I202-I204 VanDerWaalsContact C-N 3.32Å; I202-K205 PolarHBondContact O-N 2.98Å; I202-K206 HydrophobicContact CG2-CD 4.05Å; I202-K206 HydrophobicContact CG2-CG 4.22Å; I202-K206 WeakPolarHBondContact O-CB 3.39Å; I202-K206 WeakPolarHBondContact O-CG 3.28Å; I202-K206 PolarHBondContact O-N 2.95Å
203K49Very low52.1Low144 Ų144114.1 Ų114.163%0.62657%0.571SS**Hα-helixtrans-63.1-38.7173.1-81.5-176.1177.5177.80111.8H199 E200H199-K203 PolarHBondContact O-N 3.37Å; E200-K203 PolarHBondContact O-N 3.3Å; E200-K203 VanDerWaalsContact O-N 3.16Å
204I51.5Low50Low119 Ų119117.3 Ų117.361%0.6159%0.587SS**Hα-helixtrans-68.2-45.1178-63.3166.4000110.6E200 S201 I202 K207E200-I204 WeakPolarHBondContact O-CG1 3.49Å; E200-I204 PolarHBondContact O-N 2.89Å; S201-I204 PolarHBondContact O-N 3.33Å; I202-I204 VanDerWaalsContact C-N 3.32Å; I204-K207 PolarHBondContact O-N 2.89Å
205K47.2Very low48Very low144 Ų144123.8 Ų123.863%0.62661%0.608SS**Hα-helixtrans-73.1-35.7-179.4-71.9-173.9176.3-174.90114.2S201 I202 K207 Q208 E209S201-K205 PolarHBondContact O-N 3.14Å; I202-K205 PolarHBondContact O-N 2.98Å; K205-K207 PolarHBondContact O-N 3.45Å; K205-K207 VanDerWaalsContact O-N 3.14Å; K205-Q208 PolarHBondContact O-N 3.39Å; K205-E209 PolarHBondContact O-N 3.28Å
206K43Very low45.9Very low161 Ų161130.4 Ų130.470%0.764%0.637SS**Hα-helixtrans-65-16.7176.5-81.7-172.1175.9-1760113.7I202 Q208I202-K206 HydrophobicContact CG2-CD 4.05Å; I202-K206 HydrophobicContact CG2-CG 4.22Å; I202-K206 WeakPolarHBondContact O-CB 3.39Å; I202-K206 WeakPolarHBondContact O-CG 3.28Å; I202-K206 PolarHBondContact O-N 2.95Å; K206-Q208 VanDerWaalsContact C-N 3.3Å
207K40.9Very low44.5Very low192 Ų192134.1 Ų134.184%0.83566%0.664SS**THydrogen-bonded Turntrans-79.4-10.3173-130.3178.1-175.7-1780113.5I204 K205I204-K207 PolarHBondContact O-N 2.89Å; K205-K207 PolarHBondContact O-N 3.45Å; K205-K207 VanDerWaalsContact O-N 3.14Å
208Q39.5Very low43.7Very low163 Ų163137.6 Ų137.676%0.76268%0.681SS**THydrogen-bonded Turntrans-119.9-10.8-172.6-72.4-175.6-19.200115.6K205 K206K205-Q208 PolarHBondContact O-N 3.39Å; K206-Q208 VanDerWaalsContact C-N 3.3Å
209E37.5Very low43.1Very low160 Ų160140 Ų14075%0.74869%0.692SS**  trans-122.957.8-175.9-67.1179.317900112.4K205 H211K205-E209 PolarHBondContact O-N 3.28Å; E209-H211 PolarHBondContact O-N 3.47Å
210N29.7Very low42.3Very low147 Ų147143.1 Ų143.179%0.78671%0.711SS**  trans-82.962.1155-81.3-14.1000109.4
211H34.5Very low42Very low176 Ų176141.2 Ų141.282%0.81571%0.711SS**  trans-150.890.8162-85-54.5000111.5E209E209-H211 PolarHBondContact O-N 3.47Å
212S31.8Very low41.7Very low99 Ų99143.5 Ų143.569%0.69273%0.727SS**  trans2.5121.114152.80000118.8
213V32.2Very low41.7Very low129 Ų129149.1 Ų149.178%0.78274%0.744SS**  trans-137.2110.2143.2-179.70000108.6K215V213-K215 PolarHBondContact O-N 2.91Å
214I36.3Very low42Very low130 Ų130151.1 Ų151.167%0.66776%0.756SS**  trans-73.3116.3177.3-64160.6000107.8H216I214-H216 WeakPolarHBondContact CG2-NE2 3.36Å
215K39.4Very low42.2Very low193 Ų193153.3 Ų153.384%0.83977%0.768SS**  trans-100.5106.2165.9-71.6-175.1179.8-179.90108V213V213-K215 PolarHBondContact O-N 2.91Å
216H41.2Very low42.9Very low156 Ų156151.9 Ų151.972%0.72277%0.774SS**  trans-66.2133.5174.5-74-81.3000110.5I214I214-H216 WeakPolarHBondContact CG2-NE2 3.36Å
217P43Very low44Very low117 Ų117153.9 Ų153.976%0.7678%0.782SS**  trans-70.8134.2171.4-10.726.3000110.2E219P217-E219 PolarHBondContact O-N 3.46Å
218I44.6Very low45.2Very low171 Ų171151.6 Ų151.688%0.87778%0.777SS**  trans-70.598.4173.9-63.2161.4000107.2L220I218-L220 PolarHBondContact O-N 2.65Å
219E44.9Very low46.5Very low180 Ų180153.8 Ų153.884%0.84179%0.785SS**  trans-76.4116.1176-155.8167.1-156.800108.2P217 S221P217-E219 PolarHBondContact O-N 3.46Å; E219-S221 PolarHBondContact O-N 2.81Å
220L42Very low48Very low162 Ų162148 Ų14885%0.84877%0.768SS**  trans-69.578.6-179.7-17369.5000109I218 S222I218-L220 PolarHBondContact O-N 2.65Å; L220-S222 PolarHBondContact O-N 2.99Å
221S46.7Very low50.3Low78 Ų78147.4 Ų147.455%0.54577%0.772SS.*  trans-63.9127.5-179.576.30000110.1E219 Y223E219-S221 PolarHBondContact O-N 2.81Å; S221-Y223 WeakPolarHBondContact O-CD2 3.4Å; S221-Y223 PolarHBondContact O-N 3.27Å
222S47.1Very low52.1Low108 Ų108146.5 Ų146.576%0.75577%0.766SS**  trans-63.2101.218051.20000110.9L220 Q224L220-S222 PolarHBondContact O-N 2.99Å; S222-Q224 PolarHBondContact O-N 3.08Å
223Y54Low54.1Low202 Ų202148.7 Ų148.779%0.79276%0.763SS**  trans-60.4107.3174.1-59.7-84.3000110.6S221 L225S221-Y223 WeakPolarHBondContact O-CD2 3.4Å; S221-Y223 PolarHBondContact O-N 3.27Å; Y223-L225 PolarHBondContact O-N 2.92Å
224Q55.7Low56.3Low187 Ų187147.7 Ų147.787%0.87475%0.753SS**  trans-73111.5166.7-81.8171.5-53.300108.8S222S222-Q224 PolarHBondContact O-N 3.08Å
225L55.3Low58.4Low164 Ų164147.1 Ų147.186%0.85975%0.751SS**  trans-59.8135.1177.7-76.9151.3000110.9Y223Y223-L225 PolarHBondContact O-N 2.92Å
226P62.2Low60.4Low115 Ų115143 Ų14375%0.74774%0.738SS**  trans-64.3141.8-177.523.7-31.9000112.4I228P226-I228 PolarHBondContact O-N 3.36Å
227K66Low62.4Low202 Ų202140.4 Ų140.488%0.87873%0.726SS**  trans-68.8114.4178.5-145.6174.8-171.8178.20109.3K229K227-K229 PolarHBondContact O-N 3.22Å
228I65.6Low64.2Low144 Ų144138 Ų13874%0.73871%0.707SS**  trans-64.5118.3-176.9-51.3169.5000109.1P226 G230 F232P226-I228 PolarHBondContact O-N 3.36Å; I228-G230 PolarHBondContact O-N 3.49Å; I228-F232 HydrophobicContact CG2-CD2 4.14Å
229K67.6Low66Low210 Ų210135.7 Ų135.791%0.91369%0.69SS**  trans-87100.3175.4-64.6-171.6-175.1-177.10109.1K227K227-K229 PolarHBondContact O-N 3.22Å
230G68.3Low67.8Low39 Ų39134.7 Ų134.740%0.40268%0.683SS.*SBendtrans179.1168.4174.300000111I228 F232I228-G230 PolarHBondContact O-N 3.49Å; G230-F232 PolarHBondContact O-N 2.93Å
231P77.2Confident69.5Low133 Ų133136 Ų13686%0.86468%0.677SS**SBendtrans-71.623.3178.132.7-36.5000113
232F73.2Confident71.2Confident157 Ų157138.1 Ų138.169%0.68968%0.681SS**PPolyproline II helixtrans-81.3131-177.2-56.5-65.3000110.2I228 G230I228-F232 HydrophobicContact CG2-CD2 4.14Å; G230-F232 PolarHBondContact O-N 2.93Å
233K73.7Confident73.1Confident146 Ų146139.2 Ų139.264%0.63568%0.679SS**PPolyproline II helixtrans-67.1153.8176.5-65.9-167.5176.7-155.40111.2E237 I238K233-E237 HydrophobicContact CB-CB 4.41Å; K233-I238 HydrophobicContact CB-CG1 4.39Å; K233-I238 WeakPolarHBondContact O-CD1 3.29Å
234N77.2Confident74.5Confident108 Ų108133.4 Ų133.458%0.57866%0.664SS**PPolyproline II helixtrans-62.2145.1-178.9-169-18.1000110.6N236 E237 I238N234-N236 PolarHBondContact O-N 3.44Å; N234-N236 VanDerWaalsContact O-N 3.1Å; N234-E237 WeakPolarHBondContact O-CA 3.41Å; N234-E237 WeakPolarHBondContact O-CB 3.49Å; N234-E237 PolarHBondContact O-N 3.32Å; N234-I238 PolarHBondContact O-N 3.5Å
235L80.7Confident75.8Confident117 Ų117129.7 Ų129.761%0.61366%0.656SS**Hα-helixtrans-55.5-33.2-177.8-155.579.5000112.6I238 K239L235-I238 PolarHBondContact O-N 3.47Å; L235-K239 PolarHBondContact O-N 2.9Å
236N81.3Confident77.1Confident106 Ų106128.9 Ų128.957%0.56765%0.651SS**Hα-helixtrans-69.4-35.5175.4-79-7.8000113.1N234 K240N234-N236 PolarHBondContact O-N 3.44Å; N234-N236 VanDerWaalsContact O-N 3.1Å; N236-K240 WeakPolarHBondContact O-CG 3.23Å; N236-K240 PolarHBondContact O-N 2.74Å
237E83.2Confident78Confident103 Ų103130.9 Ų130.948%0.48166%0.656SS.*Hα-helixtrans-67.6-41.2172.5-99.7-176.516000111K233 N234 K239 K240 W241K233-E237 HydrophobicContact CB-CB 4.41Å; N234-E237 WeakPolarHBondContact O-CA 3.41Å; N234-E237 WeakPolarHBondContact O-CB 3.49Å; N234-E237 PolarHBondContact O-N 3.32Å; E237-K239 VanDerWaalsContact C-N 3.35Å; E237-K239 PolarHBondContact O-N 3.04Å; E237-K240 PolarHBondContact O-N 2.86Å; E237-W241 WeakPolarHBondContact O-CB 3.4Å; E237-W241 PolarHBondContact O-N 2.92Å
238I82.1Confident78.9Confident67 Ų67125.9 Ų125.934%0.34464%0.638SS.*Hα-helixtrans-61.1-44.8176-63.9169000110.3K233 N234 L235 K240 W241 L242K233-I238 HydrophobicContact CB-CG1 4.39Å; K233-I238 WeakPolarHBondContact O-CD1 3.29Å; N234-I238 PolarHBondContact O-N 3.5Å; L235-I238 PolarHBondContact O-N 3.47Å; I238-K240 PolarHBondContact O-N 3.41Å; I238-W241 PolarHBondContact O-N 3.38Å; I238-L242 HydrophobicContact CG2-CD1 4.03Å; I238-L242 HydrophobicContact CG2-CG 4.38Å; I238-L242 WeakPolarHBondContact O-CB 3.31Å; I238-L242 WeakPolarHBondContact O-CG 3.48Å; I238-L242 PolarHBondContact O-N 2.91Å
239K82.2Confident79.7Confident122 Ų122122.3 Ų122.353%0.5363%0.626SS.*Hα-helixtrans-59.4-44.2174.1-83.9-177.7175.9178.90112.5L235 E237 W241 N243L235-K239 PolarHBondContact O-N 2.9Å; E237-K239 VanDerWaalsContact C-N 3.35Å; E237-K239 PolarHBondContact O-N 3.04Å; K239-W241 VanDerWaalsContact C-N 3.32Å; K239-W241 PolarHBondContact O-N 3.46Å; K239-N243 WeakPolarHBondContact O-CB 3.46Å; K239-N243 PolarHBondContact O-N 3.3Å; K239-N243 VanDerWaalsContact O-N 3.13Å; K239-N243 PolarHBondContact O-ND2 3.46Å
240K83Confident80.3Confident158 Ų158118.8 Ų118.869%0.68762%0.616SS**Hα-helixtrans-61.1-44.2176.3-75.9-176.4-178.7-177.50111.2N236 E237 I238 N243 T244N236-K240 WeakPolarHBondContact O-CG 3.23Å; N236-K240 PolarHBondContact O-N 2.74Å; E237-K240 PolarHBondContact O-N 2.86Å; I238-K240 PolarHBondContact O-N 3.41Å; K240-N243 CarbonylContact O-C 3.56Å; K240-N243 PolarHBondContact O-N 3.4Å; K240-T244 WeakPolarHBondContact O-CG2 3.2Å; K240-T244 PolarHBondContact O-N 3.3Å; K240-T244 VanDerWaalsContact O-N 3.16Å
241W78Confident80.7Confident190 Ų190127.4 Ų127.472%0.7264%0.637SS**Hα-helixtrans-66.1-44.2-179.4-171.662.1000112.4E237 I238 K239 N243 T244E237-W241 WeakPolarHBondContact O-CB 3.4Å; E237-W241 PolarHBondContact O-N 2.92Å; I238-W241 PolarHBondContact O-N 3.38Å; K239-W241 VanDerWaalsContact C-N 3.32Å; K239-W241 PolarHBondContact O-N 3.46Å; W241-N243 PolarHBondContact O-N 3.18Å; W241-T244 PolarHBondContact O-N 2.96Å; W241-T244 PolarHBondContact O-OG1 3.36Å
242L81.7Confident81Confident122 Ų122125.6 Ų125.664%0.63962%0.623SS**Hα-helixtrans-58-32.2173.1-75.9172000112.5I238I238-L242 HydrophobicContact CG2-CD1 4.03Å; I238-L242 HydrophobicContact CG2-CG 4.38Å; I238-L242 WeakPolarHBondContact O-CB 3.31Å; I238-L242 WeakPolarHBondContact O-CG 3.48Å; I238-L242 PolarHBondContact O-N 2.91Å
243N87.1Confident81.5Confident132 Ų132123.8 Ų123.871%0.70662%0.62SS**THydrogen-bonded Turntrans-88.3-0.9179.1-64.4-14.1000113.6K239 K240 W241K239-N243 WeakPolarHBondContact O-CB 3.46Å; K239-N243 PolarHBondContact O-N 3.3Å; K239-N243 VanDerWaalsContact O-N 3.13Å; K239-N243 PolarHBondContact O-ND2 3.46Å; K240-N243 CarbonylContact O-C 3.56Å; K240-N243 PolarHBondContact O-N 3.4Å; W241-N243 PolarHBondContact O-N 3.18Å
244T83.9Confident81.9Confident80 Ų80120.1 Ų120.149%0.49161%0.61SS.*SBendtrans-75.7127.3174.952.60000110.5K240 W241K240-T244 WeakPolarHBondContact O-CG2 3.2Å; K240-T244 PolarHBondContact O-N 3.3Å; K240-T244 VanDerWaalsContact O-N 3.16Å; W241-T244 PolarHBondContact O-N 2.96Å; W241-T244 PolarHBondContact O-OG1 3.36Å
245P83.1Confident82.3Confident109 Ų109118.3 Ų118.371%0.70860%0.6SS**PPolyproline II helixtrans-66.7141.6177.827.6-33.8000110.6N247P245-N247 PolarHBondContact O-N 2.95Å
246I81.9Confident82.5Confident146 Ų146122 Ų12275%0.74961%0.607SS**PPolyproline II helixtrans-70.5123.1178.7-64.4150.8000108.6L248I246-L248 PolarHBondContact O-N 3.38Å; I246-L248 VanDerWaalsContact O-N 3.13Å
247N80.7Confident83Confident158 Ų158123.2 Ų123.285%0.84561%0.605SS**  trans-72.3104.8170.8-66.3-36.7000108.8P245P245-N247 PolarHBondContact O-N 2.95Å
248L84.2Confident83.2Confident97 Ų97121.5 Ų121.551%0.50860%0.604SS.*  trans-73144.7176.5-64.1108.8000110.6I246 V252 L253I246-L248 PolarHBondContact O-N 3.38Å; I246-L248 VanDerWaalsContact O-N 3.13Å; L248-V252 HydrophobicContact CB-CB 4.35Å; L248-V252 HydrophobicContact CB-CG1 4.34Å; L248-V252 HydrophobicContact CD2-CB 4.33Å; L248-V252 HydrophobicContact CD2-CG1 3.48Å; L248-V252 VanDerWaalsContact CD2-CG1 3.48Å; L248-L253 HydrophobicContact CB-CD2 4.08Å; L248-L253 HydrophobicContact CB-CG 4.08Å; L248-L253 HydrophobicContact CD1-CD2 4.48Å
249S83.6Confident83.5Confident69 Ų69124 Ų12448%0.48362%0.617SS.*  trans-63.5152.1176.1710000111.6R251 V252 L253S249-R251 PolarHBondContact O-N 2.89Å; S249-R251 VanDerWaalsContact O-N 3.15Å; S249-V252 PolarHBondContact O-N 2.89Å; S249-V252 WeakPolarHBondContact OG-CG2 3.36Å; S249-L253 PolarHBondContact O-N 2.88Å; S249-L253 VanDerWaalsContact O-N 3.07Å
250L79.5Confident84Confident135 Ų135122.9 Ų122.971%0.70761%0.614SS**Hα-helixtrans-53-39.2178.5-170.870.8000111.5V252 L253 T254L250-V252 VanDerWaalsContact C-N 3.27Å; L250-V252 PolarHBondContact O-N 3.37Å; L250-L253 PolarHBondContact O-N 3.45Å; L250-L253 VanDerWaalsContact O-N 3.15Å; L250-T254 HydrophobicContact CD1-CG2 4.24Å; L250-T254 HydrophobicContact CG-CG2 4.07Å; L250-T254 WeakPolarHBondContact O-CB 3.48Å; L250-T254 WeakPolarHBondContact O-CG2 3.47Å; L250-T254 PolarHBondContact O-N 2.91Å; L250-T254 PolarHBondContact O-OG1 2.83Å
251R78.2Confident84.5Confident220 Ų220120.4 Ų120.483%0.8360%0.603SS**Hα-helixtrans-58.8-34176.4-178.5-179.9-79.7-159.8-2.9113.2S249 T254S249-R251 PolarHBondContact O-N 2.89Å; S249-R251 VanDerWaalsContact O-N 3.15Å; R251-T254 PolarHBondContact O-OG1 3.41Å
252V82.2Confident85.2Confident95 Ų95113.9 Ų113.958%0.57659%0.59SS**Hα-helixtrans-82.4-31.4178.2179.10000111.4L248 S249 L250L248-V252 HydrophobicContact CB-CB 4.35Å; L248-V252 HydrophobicContact CB-CG1 4.34Å; L248-V252 HydrophobicContact CD2-CB 4.33Å; L248-V252 HydrophobicContact CD2-CG1 3.48Å; L248-V252 VanDerWaalsContact CD2-CG1 3.48Å; S249-V252 PolarHBondContact O-N 2.89Å; S249-V252 WeakPolarHBondContact OG-CG2 3.36Å; L250-V252 VanDerWaalsContact C-N 3.27Å; L250-V252 PolarHBondContact O-N 3.37Å
253L84Confident85.8Confident119 Ų119114 Ų11462%0.62359%0.585SS**Hα-helixtrans-76-31.8176.2-67.5173.4000112.7L248 S249 L250L248-L253 HydrophobicContact CB-CD2 4.08Å; L248-L253 HydrophobicContact CB-CG 4.08Å; L248-L253 HydrophobicContact CD1-CD2 4.48Å; S249-L253 PolarHBondContact O-N 2.88Å; S249-L253 VanDerWaalsContact O-N 3.07Å; L250-L253 PolarHBondContact O-N 3.45Å; L250-L253 VanDerWaalsContact O-N 3.15Å
254T83.3Confident86.2Confident69 Ų69114.1 Ų114.142%0.42358%0.582SS.*SBendtrans-81.6128.8176.755.20000110.7L250 R251 Y256L250-T254 HydrophobicContact CD1-CG2 4.24Å; L250-T254 HydrophobicContact CG-CG2 4.07Å; L250-T254 WeakPolarHBondContact O-CB 3.48Å; L250-T254 WeakPolarHBondContact O-CG2 3.47Å; L250-T254 PolarHBondContact O-N 2.91Å; L250-T254 PolarHBondContact O-OG1 2.83Å; R251-T254 PolarHBondContact O-OG1 3.41Å; T254-Y256 PolarHBondContact O-N 3.32Å
255D85Confident86.7Confident71 Ų71115.5 Ų115.538%0.3859%0.586SS.*  trans-59.8133.2171.4-174.10.2000111.2Y257 S258 K261D255-Y257 PolarHBondContact O-N 3.14Å; D255-Y257 PolarHBondContact OD1-N 2.9Å; D255-S258 WeakPolarHBondContact O-CB 3.4Å; D255-S258 PolarHBondContact O-N 2.9Å; D255-K261 VanDerWaalsContact OD2-CD 3.26Å; D255-K261 WeakPolarHBondContact OD2-CD 3.34Å; D255-K261 VanDerWaalsContact OD2-CE 3.24Å; D255-K261 WeakPolarHBondContact OD2-CE 3.36Å; D255-K261 IonicContact OD2-NZ 3.9Å; D255-K261 PolarHBondContact OD2-NZ 3.4Å
256Y84.9Confident87.2Confident194 Ų194119 Ų11976%0.76159%0.586SS**THydrogen-bonded Turntrans-55.4-38.8-179.8-175-91.6000111.9T254 S258T254-Y256 PolarHBondContact O-N 3.32Å; Y256-S258 VanDerWaalsContact C-N 3.34Å; Y256-S258 PolarHBondContact O-N 3.48Å
257Y90.6Very high87.7Confident132 Ų132119.3 Ų119.352%0.51858%0.581SS.*THydrogen-bonded Turntrans-95.821.5-179.1-57.3-78.2000113D255 L259 E260 K261D255-Y257 PolarHBondContact O-N 3.14Å; D255-Y257 PolarHBondContact OD1-N 2.9Å; Y257-L259 VanDerWaalsContact C-N 3.25Å; Y257-L259 PolarHBondContact O-N 3.47Å; Y257-E260 WeakPolarHBondContact CA-OE2 3.41Å; Y257-E260 WeakPolarHBondContact CD1-OE2 3.42Å; Y257-E260 PolarHBondContact O-N 2.88Å; Y257-K261 WeakPolarHBondContact O-CB 3.15Å; Y257-K261 WeakPolarHBondContact O-CG 3.45Å; Y257-K261 PolarHBondContact O-N 3.36Å
258S87.9Confident88.2Confident66 Ų66114.9 Ų114.946%0.46256%0.563SS.*Hα-helixtrans-55-41.5-176.4178.90000112.2D255 Y256 K261 A262D255-S258 WeakPolarHBondContact O-CB 3.4Å; D255-S258 PolarHBondContact O-N 2.9Å; Y256-S258 VanDerWaalsContact C-N 3.34Å; Y256-S258 PolarHBondContact O-N 3.48Å; S258-K261 PolarHBondContact O-N 3.26Å; S258-A262 WeakPolarHBondContact O-CB 3.38Å; S258-A262 PolarHBondContact O-N 3.36Å
259L89Confident88.5Confident119 Ų119116 Ų11662%0.62357%0.565SS**Hα-helixtrans-69-44.6179.5-175.266.7000112.3Y257 A262 K263Y257-L259 VanDerWaalsContact C-N 3.25Å; Y257-L259 PolarHBondContact O-N 3.47Å; L259-A262 PolarHBondContact O-N 3.49Å; L259-K263 WeakPolarHBondContact O-CG 3.18Å; L259-K263 PolarHBondContact O-N 3.16Å
260E92.6Very high88.7Confident100 Ų100117.1 Ų117.147%0.46756%0.563SS.*Hα-helixtrans-65.8-39.9175.4-70.4106.8172.200111.8Y257 A262 K263 Q264Y257-E260 WeakPolarHBondContact CA-OE2 3.41Å; Y257-E260 WeakPolarHBondContact CD1-OE2 3.42Å; Y257-E260 PolarHBondContact O-N 2.88Å; E260-A262 VanDerWaalsContact C-N 3.32Å; E260-A262 PolarHBondContact O-N 2.82Å; E260-K263 PolarHBondContact O-N 3.33Å; E260-Q264 WeakPolarHBondContact O-CG 3.44Å; E260-Q264 PolarHBondContact O-N 3.41Å
261K92.4Very high88.9Confident105 Ų105118.2 Ų118.246%0.45756%0.558SS.*Hα-helixtrans-61.1-40.7174.5-77.8-178.5178.9178.70111.6D255 Y257 S258 Q264 N265D255-K261 VanDerWaalsContact OD2-CD 3.26Å; D255-K261 WeakPolarHBondContact OD2-CD 3.34Å; D255-K261 VanDerWaalsContact OD2-CE 3.24Å; D255-K261 WeakPolarHBondContact OD2-CE 3.36Å; D255-K261 IonicContact OD2-NZ 3.9Å; D255-K261 PolarHBondContact OD2-NZ 3.4Å; Y257-K261 WeakPolarHBondContact O-CB 3.15Å; Y257-K261 WeakPolarHBondContact O-CG 3.45Å; Y257-K261 PolarHBondContact O-N 3.36Å; S258-K261 PolarHBondContact O-N 3.26Å; K261-Q264 PolarHBondContact O-N 3.45Å; K261-N265 WeakPolarHBondContact O-CB 3.46Å; K261-N265 PolarHBondContact O-N 2.83Å
262A93.5Very high89.3Confident53 Ų53112.4 Ų112.444%0.43855%0.55SS..Hα-helixtrans-61.9-45.4174.300000111.6S258 L259 E260 Q264 N265 W266S258-A262 WeakPolarHBondContact O-CB 3.38Å; S258-A262 PolarHBondContact O-N 3.36Å; L259-A262 PolarHBondContact O-N 3.49Å; E260-A262 VanDerWaalsContact C-N 3.32Å; E260-A262 PolarHBondContact O-N 2.82Å; A262-Q264 PolarHBondContact O-N 2.92Å; A262-N265 PolarHBondContact O-N 3.5Å; A262-W266 WeakPolarHBondContact O-CB 3.32Å; A262-W266 PolarHBondContact O-N 3.45Å
263K94.6Very high89.3Confident124 Ų124114 Ų11454%0.53956%0.555SS.*Hα-helixtrans-61.5-41.8175.3-72.5179.3178.9-178.50112.4L259 E260 W266 K267L259-K263 WeakPolarHBondContact O-CG 3.18Å; L259-K263 PolarHBondContact O-N 3.16Å; E260-K263 PolarHBondContact O-N 3.33Å; K263-W266 PolarHBondContact O-N 3.49Å; K263-K267 WeakPolarHBondContact O-CG 3.23Å; K263-K267 PolarHBondContact O-N 3.41Å
264Q95.6Very high89.2Confident136 Ų136114 Ų11464%0.63655%0.547SS*.Hα-helixtrans-65.7-43.3176.8-76.5178.2-6.900111.9E260 K261 A262 W266 K267 S268E260-Q264 WeakPolarHBondContact O-CG 3.44Å; E260-Q264 PolarHBondContact O-N 3.41Å; K261-Q264 PolarHBondContact O-N 3.45Å; A262-Q264 PolarHBondContact O-N 2.92Å; Q264-W266 VanDerWaalsContact C-N 3.31Å; Q264-W266 PolarHBondContact O-N 3.27Å; Q264-K267 PolarHBondContact O-N 3.18Å; Q264-S268 VanDerWaalsContact O-CB 3.29Å; Q264-S268 WeakPolarHBondContact O-CB 3.44Å; Q264-S268 PolarHBondContact O-N 2.88Å
265N94.7Very high89Confident108 Ų108118.8 Ų118.858%0.57857%0.569SS**Hα-helixtrans-60.5-42.2174.2-94.9-18.4000111.6K261 A262 S268 Q269K261-N265 WeakPolarHBondContact O-CB 3.46Å; K261-N265 PolarHBondContact O-N 2.83Å; A262-N265 PolarHBondContact O-N 3.5Å; N265-S268 WeakPolarHBondContact O-CB 3.4Å; N265-S268 PolarHBondContact O-N 3.24Å; N265-Q269 WeakPolarHBondContact O-CB 3.48Å; N265-Q269 WeakPolarHBondContact O-CG 3.49Å; N265-Q269 PolarHBondContact O-N 2.91Å
266W92.4Very high88.7Confident184 Ų184120.4 Ų120.470%0.69757%0.574SS**Hα-helixtrans-63.8-46.3178.5-172.932.4000112A262 K263 Q264 S268 Q269 E270A262-W266 WeakPolarHBondContact O-CB 3.32Å; A262-W266 PolarHBondContact O-N 3.45Å; K263-W266 PolarHBondContact O-N 3.49Å; Q264-W266 VanDerWaalsContact C-N 3.31Å; Q264-W266 PolarHBondContact O-N 3.27Å; W266-S268 VanDerWaalsContact C-N 3.32Å; W266-S268 PolarHBondContact O-N 2.79Å; W266-Q269 PolarHBondContact O-N 3.3Å; W266-E270 PolarHBondContact O-N 3.14Å
267K92.9Very high88.4Confident152 Ų152116.6 Ų116.666%0.66157%0.567SS**Hα-helixtrans-60.2-40.6173.3-75-178.1178-175.40112.5K263 Q264 E270 W271K263-K267 WeakPolarHBondContact O-CG 3.23Å; K263-K267 PolarHBondContact O-N 3.41Å; Q264-K267 PolarHBondContact O-N 3.18Å; K267-E270 PolarHBondContact O-N 2.92Å; K267-W271 WeakPolarHBondContact O-CB 3.3Å; K267-W271 PolarHBondContact O-N 3.43Å
268S92.1Very high87.8Confident65 Ų65116.8 Ų116.846%0.45558%0.577SS.*Hα-helixtrans-64.5-42.5176.9-1750000111.7Q264 N265 W266 W271 C272Q264-S268 VanDerWaalsContact O-CB 3.29Å; Q264-S268 WeakPolarHBondContact O-CB 3.44Å; Q264-S268 PolarHBondContact O-N 2.88Å; N265-S268 WeakPolarHBondContact O-CB 3.4Å; N265-S268 PolarHBondContact O-N 3.24Å; W266-S268 VanDerWaalsContact C-N 3.32Å; W266-S268 PolarHBondContact O-N 2.79Å; S268-W271 PolarHBondContact O-N 3.47Å; S268-C272 WeakPolarHBondContact O-CB 3.4Å; S268-C272 PolarHBondContact O-N 3.38Å; S268-C272 PolarHBondContact O-SG 2.97Å
269Q90.4Very high87.1Confident119 Ų119119.4 Ų119.456%0.55659%0.585SS**Hα-helixtrans-64.5-44.1174.2-79.6171.9-42.700112.2N265 W266 W271 C272 N273N265-Q269 WeakPolarHBondContact O-CB 3.48Å; N265-Q269 WeakPolarHBondContact O-CG 3.49Å; N265-Q269 PolarHBondContact O-N 2.91Å; W266-Q269 PolarHBondContact O-N 3.3Å; Q269-W271 VanDerWaalsContact C-N 3.3Å; Q269-W271 PolarHBondContact O-N 3.03Å; Q269-C272 PolarHBondContact O-N 3.33Å; Q269-N273 WeakPolarHBondContact O-CB 3.37Å; Q269-N273 PolarHBondContact O-N 2.69Å; Q269-N273 PolarHBondContact O-ND2 2.99Å
270E87Confident86.1Confident94 Ų94121.1 Ų121.144%0.43959%0.588SS.*Hα-helixtrans-58.4-45.6175.2-164.4-160.6136.300110.6W266 K267 N273 R274W266-E270 PolarHBondContact O-N 3.14Å; K267-E270 PolarHBondContact O-N 2.92Å; E270-N273 PolarHBondContact O-N 3.45Å; E270-R274 WeakPolarHBondContact O-CG 3.28Å; E270-R274 PolarHBondContact O-N 3.16Å; E270-R274 IonicContact OE1-CZ 2.65Å; E270-R274 IonicContact OE1-NE 3.81Å; E270-R274 IonicContact OE1-NH2 2.81Å; E270-R274 PolarHBondContact OE1-NH2 2.91Å
271W83.5Confident85.1Confident158 Ų158124.3 Ų124.360%0.59860%0.597SS**Hα-helixtrans-61.2-47.7176.7-174.5-93.3000112.7K267 S268 Q269 N273 R274K267-W271 WeakPolarHBondContact O-CB 3.3Å; K267-W271 PolarHBondContact O-N 3.43Å; S268-W271 PolarHBondContact O-N 3.47Å; Q269-W271 VanDerWaalsContact C-N 3.3Å; Q269-W271 PolarHBondContact O-N 3.03Å; W271-N273 PolarHBondContact O-N 3.38Å; W271-R274 PolarHBondContact O-N 3.04Å; W271-R274 VanDerWaalsContact O-N 3.13Å
272C86Confident84.1Confident97 Ų97125 Ų12566%0.65561%0.611SS**Hα-helixtrans-59-30.2175.6-75.20000113.1S268 Q269S268-C272 WeakPolarHBondContact O-CB 3.4Å; S268-C272 PolarHBondContact O-N 3.38Å; S268-C272 PolarHBondContact O-SG 2.97Å; Q269-C272 PolarHBondContact O-N 3.33Å
273N83.5Confident82.9Confident129 Ų129125.2 Ų125.269%0.6962%0.618SS**Hα-helixtrans-88.2-6.4-179.1-67.7-20.3000113.4Q269 E270 W271 L275Q269-N273 WeakPolarHBondContact O-CB 3.37Å; Q269-N273 PolarHBondContact O-N 2.69Å; Q269-N273 PolarHBondContact O-ND2 2.99Å; E270-N273 PolarHBondContact O-N 3.45Å; W271-N273 PolarHBondContact O-N 3.38Å; N273-L275 PolarHBondContact O-N 3.04Å
274R80.8Confident81.7Confident118 Ų118127.1 Ų127.145%0.44563%0.628SS.*  trans-70.1122.7176.4-76179.4-172.2-173.40.3110.5E270 W271E270-R274 WeakPolarHBondContact O-CG 3.28Å; E270-R274 PolarHBondContact O-N 3.16Å; E270-R274 IonicContact OE1-CZ 2.65Å; E270-R274 IonicContact OE1-NE 3.81Å; E270-R274 IonicContact OE1-NH2 2.81Å; E270-R274 PolarHBondContact OE1-NH2 2.91Å; W271-R274 PolarHBondContact O-N 3.04Å; W271-R274 VanDerWaalsContact O-N 3.13Å
275L79.9Confident80.4Confident171 Ų171126 Ų12690%0.89563%0.633SS**SBendtrans-80.8-23.1175.1-74.8161.2000112.6N273N273-L275 PolarHBondContact O-N 3.04Å
276H77.8Confident79.2Confident105 Ų105125.7 Ų125.749%0.48664%0.637SS.*  trans-152.4145.7-178.552.3-77.1000110.1N278H276-N278 PolarHBondContact CD2-O 3.34Å
277D79Confident78.5Confident114 Ų114122.8 Ų122.861%0.6164%0.644SS**SBendtrans-83.7-22.8-176.8-64.7-31.6000113.4
278N78.7Confident78Confident135 Ų135121.2 Ų121.272%0.72264%0.642SS**SBendtrans-70136.1-177.4-64.9-18000110.2H276 F280H276-N278 PolarHBondContact CD2-O 3.34Å; N278-F280 PolarHBondContact O-N 3.48Å; N278-F280 VanDerWaalsContact O-N 3.15Å
279N72.8Confident77.3Confident121 Ų121123.5 Ų123.565%0.64766%0.655SS**  trans-52.5124.8170.6-73.429.7000109.4Y281N279-Y281 HydrophobicContact CB-CE2 4.04Å; N279-Y281 WeakPolarHBondContact O-CD2 3.47Å; N279-Y281 PolarHBondContact O-N 2.89Å
280F68.9Low76.8Confident156 Ų156126.3 Ų126.368%0.68466%0.662SS**  trans-72.495.5173.6-173.6-103.7000108.4N278 T282N278-F280 PolarHBondContact O-N 3.48Å; N278-F280 VanDerWaalsContact O-N 3.15Å; F280-T282 HydrophobicContact CD1-CG2 3.72Å; F280-T282 HydrophobicContact CE1-CG2 3.68Å; F280-T282 PolarHBondContact O-N 3.32Å; F280-T282 VanDerWaalsContact O-N 3.16Å
281Y71.2Confident76.3Confident167 Ų167130.1 Ų130.166%0.65568%0.68SS**  trans-72.1105.7171-63.9-81.3000108.3N279 G283N279-Y281 HydrophobicContact CB-CE2 4.04Å; N279-Y281 WeakPolarHBondContact O-CD2 3.47Å; N279-Y281 PolarHBondContact O-N 2.89Å; Y281-G283 VanDerWaalsContact C-N 3.25Å; Y281-G283 PolarHBondContact O-N 3Å
282T71.2Confident75.8Confident120 Ų120131.5 Ų131.574%0.73669%0.685SS**SBendtrans-67.987171.352.80000108.8F280F280-T282 HydrophobicContact CD1-CG2 3.72Å; F280-T282 HydrophobicContact CE1-CG2 3.68Å; F280-T282 PolarHBondContact O-N 3.32Å; F280-T282 VanDerWaalsContact O-N 3.16Å
283G68.1Low75.3Confident57 Ų57129.6 Ų129.659%0.58867%0.673SS**  trans88.9124.9-179.700000112.4Y281Y281-G283 VanDerWaalsContact C-N 3.25Å; Y281-G283 PolarHBondContact O-N 3Å
284H68.9Low74.7Confident164 Ų164130.9 Ų130.976%0.75968%0.678SS**PPolyproline II helixtrans-70.6131.7156.1-64.8-71.4000106.9
285P69.3Low74Confident113 Ų113137.1 Ų137.173%0.73470%0.702SS**PPolyproline II helixtrans-54.3131.8165.723.6-30.3000107S287P285-S287 PolarHBondContact O-N 3.5Å
286P68.9Low73.2Confident101 Ų101132.5 Ų132.566%0.65668%0.681SS**PPolyproline II helixtrans-53.2137.6174.922.4-31.4000108.3I288P286-I288 PolarHBondContact O-N 2.99Å; P286-I288 VanDerWaalsContact O-N 3.09Å
287S78.5Confident72.6Confident122 Ų122132 Ų13285%0.85369%0.686SS**SBendtrans-59.9-21.7178.254.90000112.2P285P285-S287 PolarHBondContact O-N 3.5Å
288I81Confident72.3Confident120 Ų120129.2 Ų129.262%0.61568%0.675SS**SBendtrans-95.3124.3179.7-50.5171.5000107.7P286 Y290P286-I288 PolarHBondContact O-N 2.99Å; P286-I288 VanDerWaalsContact O-N 3.09Å; I288-Y290 PolarHBondContact O-N 2.91Å
289P78.5Confident72.3Confident112 Ų112129.9 Ų129.973%0.72768%0.684SS**  trans-55.8136.6171.222.7-30.8000109.3E291P289-E291 PolarHBondContact O-N 3.15Å
290Y78.7Confident72.4Confident179 Ų179134.8 Ų134.870%0.70270%0.695SS**  trans-56.9114.9-179.3169.4-106.9000110.6I288 R292I288-Y290 PolarHBondContact O-N 2.91Å; Y290-R292 HydrophobicContact CD1-CG 4.2Å; Y290-R292 HydrophobicContact CE1-CB 4.41Å; Y290-R292 HydrophobicContact CE1-CG 3.47Å; Y290-R292 VanDerWaalsContact CE1-CG 3.47Å
291E76.2Confident72.6Confident174 Ų174129.3 Ų129.381%0.81368%0.682SS**PPolyproline II helixtrans-92.2118.4174.1-159.3173.7-162.800108.7P289P289-E291 PolarHBondContact O-N 3.15Å
292R73.7Confident72.5Confident186 Ų186126.5 Ų126.570%0.70269%0.687SS**PPolyproline II helixtrans-66.6135.1178.6-77.8178.3-163.3149.65109.7Y290Y290-R292 HydrophobicContact CD1-CG 4.2Å; Y290-R292 HydrophobicContact CE1-CB 4.41Å; Y290-R292 HydrophobicContact CE1-CG 3.47Å; Y290-R292 VanDerWaalsContact CE1-CG 3.47Å
293S75.7Confident72.4Confident58 Ų58127.3 Ų127.341%0.40669%0.686SS.*PPolyproline II helixtrans-66.8137.4172.762.70000110.5W295 T296S293-W295 PolarHBondContact O-N 3.46Å; S293-W295 VanDerWaalsContact O-N 3.08Å; S293-T296 PolarHBondContact O-N 3.42Å; S293-T296 PolarHBondContact O-OG1 3.18Å; S293-T296 VanDerWaalsContact OG-CG2 3.28Å; S293-T296 WeakPolarHBondContact OG-CG2 3.45Å; S293-T296 PolarHBondContact OG-OG1 3.19Å
294L71.9Confident72.4Confident155 Ų155127.3 Ų127.381%0.81268%0.676SS**G310 helixtrans-52.1-35.2178.8-68.8170.7000112.4T296 T297L294-T296 PolarHBondContact O-N 2.99Å; L294-T297 PolarHBondContact O-N 3.03Å; L294-T297 VanDerWaalsContact O-N 3.14Å
295W66.1Low72.4Confident250 Ų250127.8 Ų127.895%0.94767%0.673SS**G310 helixtrans-68.8-17.3-178.4-61.174.5000114.4S293S293-W295 PolarHBondContact O-N 3.46Å; S293-W295 VanDerWaalsContact O-N 3.08Å
296T62.1Low72.1Confident74 Ų74123.8 Ų123.845%0.45465%0.652SS.*G310 helixtrans-92.1-8.5175.857.80000113S293 L294S293-T296 PolarHBondContact O-N 3.42Å; S293-T296 PolarHBondContact O-OG1 3.18Å; S293-T296 VanDerWaalsContact OG-CG2 3.28Å; S293-T296 WeakPolarHBondContact OG-CG2 3.45Å; S293-T296 PolarHBondContact OG-OG1 3.19Å; L294-T296 PolarHBondContact O-N 2.99Å
297T64.5Low71.9Confident94 Ų94124.2 Ų124.258%0.57765%0.653SS**  trans-99.696.1-178.1-45.60000109L294L294-T297 PolarHBondContact O-N 3.03Å; L294-T297 VanDerWaalsContact O-N 3.14Å
298S74Confident71.3Confident56 Ų56123.5 Ų123.539%0.39264%0.635SS.*  trans-95.1155.8167.684.40000109.9Y300 G301S298-Y300 PolarHBondContact O-N 3.22Å; S298-Y300 PolarHBondContact OG-N 3.16Å; S298-G301 PolarHBondContact O-N 3.4Å; S298-G301 PolarHBondContact OG-N 3.44Å; S298-G301 PolarHBondContact OG-O 3.41Å; S298-G301 VanDerWaalsContact OG-O 3.09Å
299V77.7Confident70.6Confident149 Ų149123.4 Ų123.490%0.90363%0.631SS**THydrogen-bonded Turntrans-56.2-22.5171.4-177.30000111.5
300Y76.2Confident69.9Low224 Ų224124.8 Ų124.888%0.87863%0.626SS**THydrogen-bonded Turntrans-89.20.5-178.5-51.1-73.9000113.9S298S298-Y300 PolarHBondContact O-N 3.22Å; S298-Y300 PolarHBondContact OG-N 3.16Å
301G71.9Confident68.7Low41 Ų41125.7 Ų125.742%0.42363%0.628SS.*  trans82.6178.4-177.200000114S298S298-G301 PolarHBondContact O-N 3.4Å; S298-G301 PolarHBondContact OG-N 3.44Å; S298-G301 PolarHBondContact OG-O 3.41Å; S298-G301 VanDerWaalsContact OG-O 3.09Å
302S70.1Confident67.9Low108 Ų108122.6 Ų122.676%0.75563%0.632SS**  trans-84.7133.3175.772.20000110.8S304S302-S304 PolarHBondContact O-N 3.18Å
303I68.9Low67.1Low137 Ų137117.2 Ų117.270%0.70362%0.623SS**  trans-70.3130171.2-58.1162.1000106.9Y305I303-Y305 PolarHBondContact O-N 3.07Å
304S67.5Low66.2Low56 Ų56123.7 Ų123.739%0.39265%0.647SS.*  trans-73.852.4177.933.30000112S302 G306 K308S302-S304 PolarHBondContact O-N 3.18Å; S304-G306 PolarHBondContact O-N 3.12Å; S304-K308 PolarHBondContact O-N 2.93Å
305Y68.3Low65.2Low175 Ų175121 Ų12169%0.68663%0.634SS**THydrogen-bonded Turntrans-63.7130.5175.6-169.5-100.2000109.4I303 F310I303-Y305 PolarHBondContact O-N 3.07Å; Y305-F310 HydrophobicContact CE1-CE2 4.35Å; Y305-F310 HydrophobicContact CE1-CZ 4.13Å; Y305-F310 HydrophobicContact CE2-CZ 4.46Å; Y305-F310 AromaticContact CZ-CZ 3.88Å
306G63.9Low64.6Low29 Ų29117.5 Ų117.530%0.29963%0.628SS.*THydrogen-bonded Turntrans103.6-47.6-178.300000114.9S304 F310S304-G306 PolarHBondContact O-N 3.12Å; G306-F310 VanDerWaalsContact CA-CD2 3.43Å; G306-F310 WeakPolarHBondContact O-CD2 3.47Å
307T64.1Low64.1Low110 Ų110121.1 Ų121.168%0.67564%0.644SS**THydrogen-bonded Turntrans-93.4-44.9-175.650.10000112.6
308K66Low63.3Low107 Ų107123 Ų12347%0.46565%0.651SS.*THydrogen-bonded Turntrans-81.8-37.4-176.4-170.4175.8-178.6178.30113.1S304S304-K308 PolarHBondContact O-N 2.93Å
309H65.5Low62.1Low117 Ų117124.7 Ų124.754%0.54266%0.662SS.*SBendtrans-97.8-17.7-167.8-60.2-62.4000115.2
310F64.3Low60.9Low141 Ų141122.7 Ų122.762%0.61865%0.651SS**SBendtrans-92.4-21.2177.5-66.7-42.3000113.8Y305 G306Y305-F310 HydrophobicContact CE1-CE2 4.35Å; Y305-F310 HydrophobicContact CE1-CZ 4.13Å; Y305-F310 HydrophobicContact CE2-CZ 4.46Å; Y305-F310 AromaticContact CZ-CZ 3.88Å; G306-F310 VanDerWaalsContact CA-CD2 3.43Å; G306-F310 WeakPolarHBondContact O-CD2 3.47Å
311R54.9Low59.7Low198 Ų198118.6 Ų118.675%0.74764%0.641SS**SBendtrans-105120.8171.6-73.4-175.2170171.2-2.3107.6S313R311-S313 PolarHBondContact O-N 2.83Å
312A59Low58.7Low109 Ų109124.5 Ų124.590%0.90166%0.657SS**  trans-64.490166.200000107.5
313S55.7Low57.8Low73 Ų73127.9 Ų127.951%0.5166%0.659SS.*  trans-74.6139.8163.7-57.80000107R311 D315R311-S313 PolarHBondContact O-N 2.83Å; S313-D315 PolarHBondContact O-N 3.39Å
314E57.6Low57.2Low194 Ų194129.1 Ų129.191%0.90766%0.662SS**  trans-66.274.3170-64.8178.1175.900108E316E314-E316 PolarHBondContact O-N 3.07Å
315D51.2Low56.7Low100 Ų100131.7 Ų131.754%0.53568%0.677SS.*  trans-61.6123.8175.8-81.9-5.1000107.3S313 N317 N318S313-D315 PolarHBondContact O-N 3.39Å; D315-N317 PolarHBondContact O-N 2.96Å; D315-N318 PolarHBondContact O-N 3.43Å
316E53.1Low56.3Low175 Ų175133 Ų13382%0.81869%0.686SS**G310 helixtrans-55.3-5.6-164.3-62.1-169.4147.100116.2E314 S319E314-E316 PolarHBondContact O-N 3.07Å; E316-S319 PolarHBondContact O-OG 3.45Å
317N50.9Low56.2Low151 Ų151141.3 Ų141.381%0.80771%0.714SS**G310 helixtrans-97.4-6.7-174.9-71.4-17.5000114.9D315 S319D315-N317 PolarHBondContact O-N 2.96Å; N317-S319 VanDerWaalsContact C-N 3.35Å
318N47.9Very low56Low134 Ų134147 Ų14772%0.71772%0.723SS**G310 helixtrans-9621.2174.1-83.1-16000113.7D315 T320D315-N318 PolarHBondContact O-N 3.43Å; N318-T320 PolarHBondContact O-N 3.14Å
319S50.2Low56Low90 Ų90148.9 Ų148.963%0.62974%0.738SS**THydrogen-bonded Turntrans-62.7-4.9179.9-72.40000115.9E316 N317E316-S319 PolarHBondContact O-OG 3.45Å; N317-S319 VanDerWaalsContact C-N 3.35Å
320T52.4Low56.4Low107 Ų107151 Ų15166%0.65675%0.752SS**THydrogen-bonded Turntrans-106.9-26.7-176.150.80000115.3N318N318-T320 PolarHBondContact O-N 3.14Å
321M50.7Low56.6Low138 Ų138151 Ų15168%0.6876%0.758SS**THydrogen-bonded Turntrans-99.5-20.9-164.9-69.6-71.993.800116.3
322H51.2Low57.6Low165 Ų165146.6 Ų146.676%0.76476%0.755SS**  trans-135.962.9-178.7-59.6-53.8000112.7Q324H322-Q324 PolarHBondContact O-N 3.27Å
323K51.1Low58.3Low180 Ų180146 Ų14678%0.78374%0.742SS**  trans-74.172.3159-76.1-179.8179.2175.40109.2
324Q54.8Low59.2Low163 Ų163147.3 Ų147.376%0.76274%0.742SS**  trans-65.1126.3156.5-72.2-65.1-23.700106.6H322 K326H322-Q324 PolarHBondContact O-N 3.27Å; Q324-K326 PolarHBondContact O-N 2.81Å
325P57.3Low59.9Low109 Ų109142.8 Ų142.871%0.70873%0.729SS**  trans-58.9129-178.823-31000108.7F327P325-F327 PolarHBondContact O-N 3.24Å
326K59.7Low60.9Low202 Ų202144 Ų14488%0.87874%0.735SS**  trans-45.6137.7168.1-80.7-179.8174.7177.30108.3Q324 R328Q324-K326 PolarHBondContact O-N 2.81Å; K326-R328 PolarHBondContact O-N 2.97Å
327F61.9Low61.5Low205 Ų205142.2 Ų142.290%0.89973%0.725SS**  trans-45.5120.1176.2-69.9-80.4000109.8P325 N329P325-F327 PolarHBondContact O-N 3.24Å; F327-N329 PolarHBondContact O-N 3.08Å
328R61.5Low62.3Low229 Ų229139.2 Ų139.286%0.86471%0.709SS**  trans-66.2117.1174178176.2175.5162-0.9107K326 I330K326-R328 PolarHBondContact O-N 2.97Å; R328-I330 PolarHBondContact O-N 3.43Å
329N64.6Low63.1Low146 Ų146138.2 Ų138.278%0.78170%0.698SS**  trans-56117.6170.4-83.7-2.3000108.6F327 L331F327-N329 PolarHBondContact O-N 3.08Å; N329-L331 VanDerWaalsContact C-N 3.32Å
330I74.8Confident63.6Low162 Ų162140.6 Ų140.683%0.83170%0.698SS**  trans-76.9-26.8179.4-64.6165.1000110.3R328R328-I330 PolarHBondContact O-N 3.43Å
331L68.2Low63.9Low142 Ų142139.8 Ų139.874%0.74369%0.689SS**SBendtrans-91.2134.8-178.4-62.3174.8000110.8N329N329-L331 VanDerWaalsContact C-N 3.32Å
332P75.3Confident64.5Low105 Ų105141 Ų14168%0.68269%0.691SS**PPolyproline II helixtrans-59.8142.1168.326-31.9000109.4I334P332-I334 PolarHBondContact O-N 2.93Å
333P74.8Confident65.1Low96 Ų96139.3 Ų139.362%0.62368%0.683SS**PPolyproline II helixtrans-59.9130.7177.725.1-32.3000109.4P335P333-P335 WeakPolarHBondContact O-CD 3.16Å
334I74.6Confident65.3Low101 Ų101136.8 Ų136.852%0.51867%0.67SS.*PPolyproline II helixtrans-78.8118.2173.1-62.6164.4000106.2P332 L336 F337P332-I334 PolarHBondContact O-N 2.93Å; I334-L336 HydrophobicContact CG2-CB 3.96Å; I334-L336 PolarHBondContact O-N 3.49Å; I334-F337 HydrophobicContact CB-CD2 3.83Å; I334-F337 HydrophobicContact CB-CE2 4.24Å; I334-F337 HydrophobicContact CD1-CD2 4.17Å; I334-F337 HydrophobicContact CD1-CE2 3.81Å; I334-F337 HydrophobicContact CG2-CD2 4.26Å; I334-F337 HydrophobicContact CG2-CE2 4.43Å; I334-F337 PolarHBondContact O-N 3.03Å
335P72.6Confident65.2Low98 Ų98135.4 Ų135.464%0.63667%0.666SS**Hα-helixtrans-55.4-23.1-173.6-26.333.1000114.4P333P333-P335 WeakPolarHBondContact O-CD 3.16Å
336L71.2Confident65.1Low127 Ų127136.5 Ų136.567%0.66567%0.673SS**Hα-helixtrans-63.6-37.4176.6-166.970.7000112.7I334I334-L336 HydrophobicContact CG2-CB 3.96Å; I334-L336 PolarHBondContact O-N 3.49Å
337F65.7Low64.9Low136 Ų136129.6 Ų129.660%0.59666%0.659SS**Hα-helixtrans-80.2-28.9-178.3-66.7-55.8000112.7I334 K339 F340I334-F337 HydrophobicContact CB-CD2 3.83Å; I334-F337 HydrophobicContact CB-CE2 4.24Å; I334-F337 HydrophobicContact CD1-CD2 4.17Å; I334-F337 HydrophobicContact CD1-CE2 3.81Å; I334-F337 HydrophobicContact CG2-CD2 4.26Å; I334-F337 HydrophobicContact CG2-CE2 4.43Å; I334-F337 PolarHBondContact O-N 3.03Å; F337-K339 PolarHBondContact O-N 2.66Å; F337-F340 WeakPolarHBondContact O-CB 3.39Å; F337-F340 PolarHBondContact O-N 3.37Å
338D67.8Low64.5Low89 Ų89129.2 Ų129.248%0.47665%0.653SS.*Hα-helixtrans-66.5-18.2175.1-77.8-22.1000113.2K342D338-K342 VanDerWaalsContact O-CD 3.27Å; D338-K342 WeakPolarHBondContact O-CD 3.38Å; D338-K342 WeakPolarHBondContact O-CE 3.5Å; D338-K342 PolarHBondContact O-NZ 3.08Å
339K65.7Low63.9Low112 Ų112121.4 Ų121.449%0.48764%0.638SS.*THydrogen-bonded Turntrans-86-17.5172.9-72176.7161.9-130.30113.4F337 N341 K342 E343F337-K339 PolarHBondContact O-N 2.66Å; K339-N341 PolarHBondContact O-N 2.98Å; K339-K342 PolarHBondContact O-N 2.99Å; K339-E343 WeakPolarHBondContact CD-OE1 3.34Å; K339-E343 WeakPolarHBondContact CE-OE1 3.23Å; K339-E343 IonicContact NZ-OE1 2.62Å; K339-E343 PolarHBondContact NZ-OE1 3.23Å
340F58.8Low63Low141 Ų141120.6 Ų120.662%0.61864%0.638SS**THydrogen-bonded Turntrans-61.3124.7-179.6-161.1-101.6000109.1F337 K342F337-F340 WeakPolarHBondContact O-CB 3.39Å; F337-F340 PolarHBondContact O-N 3.37Å; F340-K342 VanDerWaalsContact C-N 3.27Å; F340-K342 PolarHBondContact O-N 2.96Å
341N59.9Low61.4Low90 Ų90119.9 Ų119.948%0.48167%0.671SS.*THydrogen-bonded Turntrans67.1-2.2-171.7-64.2-17.6000118.2K339K339-N341 PolarHBondContact O-N 2.98Å
342K63.8Low61.1Low164 Ų164118.8 Ų118.871%0.71367%0.667SS**THydrogen-bonded Turntrans-88.7-34.6173.5-68-170.8-171163.90113.3D338 K339 F340 Y344D338-K342 VanDerWaalsContact O-CD 3.27Å; D338-K342 WeakPolarHBondContact O-CD 3.38Å; D338-K342 WeakPolarHBondContact O-CE 3.5Å; D338-K342 PolarHBondContact O-NZ 3.08Å; K339-K342 PolarHBondContact O-N 2.99Å; F340-K342 VanDerWaalsContact C-N 3.27Å; F340-K342 PolarHBondContact O-N 2.96Å; K342-Y344 VanDerWaalsContact C-N 3.31Å
343E62.4Low60.3Low129 Ų129119.5 Ų119.560%0.60367%0.666SS**SBendtrans-82.4-13.2177.7-65.5-177.3-179.500112.4K339K339-E343 WeakPolarHBondContact CD-OE1 3.34Å; K339-E343 WeakPolarHBondContact CE-OE1 3.23Å; K339-E343 IonicContact NZ-OE1 2.62Å; K339-E343 PolarHBondContact NZ-OE1 3.23Å
344Y55.4Low59.5Low127 Ų127120.8 Ų120.850%0.49867%0.669SS.*SBendtrans-88.6125.7175.8-61.3-72.6000109.7K342K342-Y344 VanDerWaalsContact C-N 3.31Å
345I53.9Low58.6Low134 Ų134121.9 Ų121.969%0.68768%0.677SS**PPolyproline II helixtrans-49.1134.6169.6-60.3167.4000108.2G347 Y348I345-G347 PolarHBondContact O-N 2.93Å; I345-Y348 PolarHBondContact O-N 3.14Å
346P53.5Low57.8Low131 Ų131123.4 Ų123.485%0.85168%0.68SS**THydrogen-bonded Turntrans-48.7118.3178-24.931.8000110.5
347G57Low56.9Low57 Ų57123.2 Ų123.259%0.58868%0.681SS**THydrogen-bonded Turntrans115.6-9.7179.300000116.3I345 T350I345-G347 PolarHBondContact O-N 2.93Å; G347-T350 PolarHBondContact O-OG1 3.38Å
348Y53.8Low56.2Low197 Ų197122.3 Ų122.377%0.77369%0.687SS**THydrogen-bonded Turntrans-77.5-20.5-179.1-132-90.7000114.6I345I345-Y348 PolarHBondContact O-N 3.14Å
349A48.1Very low55.3Low65 Ų65124.8 Ų124.854%0.53770%0.703SS.*THydrogen-bonded Turntrans-110.621.4-173.200000114.3G351A349-G351 PolarHBondContact O-N 3.12Å
350T46.3Very low54.5Low129 Ų129125.9 Ų125.979%0.79172%0.721SS**  trans-89.882.8164.754.40000108.5G347G347-T350 PolarHBondContact O-OG1 3.38Å
351G40.8Very low54.1Low147 Ų147124.5 Ų124.5100%1.51573%0.731SS**  trans-141.90176.400000111.1A349A349-G351 PolarHBondContact O-N 3.12Å

Retrieved 351 of 351 residues in 603.6 ms (Link to these results)

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