A0A5K4F0N8_SCHMA Loading...

Protein KRI1 homolog

AlphaFold DB , UniProt , Accession A0A5K4F0N8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 812 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
1M50.8Low78Confident217 Ų217130.8 Ų130.8100%1.06962%0.622SS**  0115.40-75.3-159.1-94.400106.4
2Q64.3Low79.1Confident185 Ų185124.7 Ų124.786%0.86460%0.595SS**PPolyproline II helixtrans-76.2120.7167.4-77.8170.8-27.600106.5
3F68.8Low79.7Confident184 Ų184121.8 Ų121.881%0.80758%0.576SS**PPolyproline II helixtrans-76124.1171.1-66.7-77000107.2
4K82.2Confident80.1Confident191 Ų191119.4 Ų119.483%0.8357%0.569SS**PPolyproline II helixtrans-102.6121.5169-77.1-177.6174.3-175.70107.4
5I80.7Confident80.7Confident69 Ų69122.7 Ų122.735%0.35457%0.573SS.*PPolyproline II helixtrans-73.3127.4173.1-70.1159.6000107.5Q7I5-Q7 PolarHBondContact O-N 3.4Å
6N85.7Confident81.3Confident100 Ų100121.8 Ų121.854%0.53556%0.564SS.*  trans-74.195.8171.8-175.5-21000108.1D8 F9 A10N6-D8 PolarHBondContact O-N 3.29Å; N6-D8 WeakPolarHBondContact OD1-CB 3.44Å; N6-D8 PolarHBondContact OD1-N 3.34Å; N6-D8 VanDerWaalsContact OD1-N 3.14Å; N6-F9 HydrophobicContact CB-CB 4.08Å; N6-F9 PolarHBondContact O-N 3.4Å; N6-F9 PolarHBondContact OD1-N 3.24Å; N6-A10 PolarHBondContact O-N 3.25Å
7Q85.9Confident81.7Confident103 Ų103121.5 Ų121.548%0.48156%0.557SS.*Hα-helixtrans-60.6-31.3-177-64.6-161.1-8.800112.2I5 A10 K11I5-Q7 PolarHBondContact O-N 3.4Å; Q7-A10 PolarHBondContact O-N 3.07Å; Q7-K11 WeakPolarHBondContact O-CB 3.45Å; Q7-K11 VanDerWaalsContact O-CG 3.25Å; Q7-K11 WeakPolarHBondContact O-CG 3.39Å; Q7-K11 PolarHBondContact O-N 2.9Å
8D86.8Confident82Confident109 Ų109121.8 Ų121.858%0.58356%0.559SS**Hα-helixtrans-69.3-41.5178.7-59.7-28.5000111.5N6 N12N6-D8 PolarHBondContact O-N 3.29Å; N6-D8 WeakPolarHBondContact OD1-CB 3.44Å; N6-D8 PolarHBondContact OD1-N 3.34Å; N6-D8 VanDerWaalsContact OD1-N 3.14Å; D8-N12 PolarHBondContact O-N 3.42Å; D8-N12 PolarHBondContact O-ND2 3.27Å
9F84.7Confident82.6Confident105 Ų105122.5 Ų122.546%0.46156%0.56SS.*Hα-helixtrans-65.5-42.5174.3-176.2-98.1000111.3N6 K11 N12 Y13 Y16N6-F9 HydrophobicContact CB-CB 4.08Å; N6-F9 PolarHBondContact O-N 3.4Å; N6-F9 PolarHBondContact OD1-N 3.24Å; F9-K11 PolarHBondContact O-N 3.38Å; F9-N12 CarbonylContact O-C 3.45Å; F9-N12 PolarHBondContact O-N 3.06Å; F9-Y13 AromaticContact CE1-CD2 3.68Å; F9-Y13 HydrophobicContact CE1-CD2 3.68Å; F9-Y13 HydrophobicContact CE1-CE2 4.38Å; F9-Y13 HydrophobicContact CZ-CD2 4.09Å; F9-Y13 WeakPolarHBondContact O-CA 3.41Å; F9-Y13 WeakPolarHBondContact O-CB 3.47Å; F9-Y13 PolarHBondContact O-N 3.46Å; F9-Y16 AromaticContact CD2-CD2 3.94Å; F9-Y16 HydrophobicContact CD2-CD2 3.94Å; F9-Y16 AromaticContact CD2-CE2 3.75Å; F9-Y16 HydrophobicContact CD2-CE2 3.75Å; F9-Y16 AromaticContact CE2-CD2 3.64Å; F9-Y16 HydrophobicContact CE2-CD2 3.64Å; F9-Y16 AromaticContact CE2-CE2 3.88Å; F9-Y16 HydrophobicContact CE2-CE2 3.88Å; F9-Y16 HydrophobicContact CZ-CD2 4.36Å
10A82.7Confident83Confident23 Ų23121.3 Ų121.319%0.1956%0.555CS.*Hα-helixtrans-64.4-40.4179.900000112.5N6 Q7 N12 Y13 L160N6-A10 PolarHBondContact O-N 3.25Å; Q7-A10 PolarHBondContact O-N 3.07Å; A10-N12 VanDerWaalsContact C-N 3.3Å; A10-N12 PolarHBondContact O-N 3.19Å; A10-Y13 WeakPolarHBondContact O-CB 3.45Å; A10-Y13 PolarHBondContact O-N 3.01Å; A10-L160 HydrophobicContact CB-CD1 4.39Å; A10-L160 HydrophobicContact CB-CD2 3.33Å; A10-L160 HydrophobicContact CB-CG 4.34Å
11K86Confident83.3Confident153 Ų153119.4 Ų119.467%0.66555%0.547SS*.Hα-helixtrans-60.1-39.2173.1-74171.3-175.7176.20112Q7 F9Q7-K11 WeakPolarHBondContact O-CB 3.45Å; Q7-K11 VanDerWaalsContact O-CG 3.25Å; Q7-K11 WeakPolarHBondContact O-CG 3.39Å; Q7-K11 PolarHBondContact O-N 2.9Å; F9-K11 PolarHBondContact O-N 3.38Å
12N90.2Very high85.1Confident57 Ų57116.4 Ų116.431%0.30553%0.525SS..Hα-helixtrans-90.6-3.7-179.9-72.8-33.6000114.6D8 F9 A10 N14 R15 Y16D8-N12 PolarHBondContact O-N 3.42Å; D8-N12 PolarHBondContact O-ND2 3.27Å; F9-N12 CarbonylContact O-C 3.45Å; F9-N12 PolarHBondContact O-N 3.06Å; A10-N12 VanDerWaalsContact C-N 3.3Å; A10-N12 PolarHBondContact O-N 3.19Å; N12-N14 VanDerWaalsContact C-N 3.32Å; N12-N14 PolarHBondContact O-N 3.46Å; N12-R15 WeakPolarHBondContact O-CB 3.35Å; N12-R15 PolarHBondContact O-N 2.88Å; N12-Y16 HydrophobicContact CB-CD2 3.96Å; N12-Y16 HydrophobicContact CB-CE2 3.45Å; N12-Y16 VanDerWaalsContact CB-CE2 3.45Å; N12-Y16 WeakPolarHBondContact O-CD2 3.46Å; N12-Y16 PolarHBondContact O-N 3.27Å
13Y87.3Confident86.2Confident87 Ų87114 Ų11434%0.34151%0.513SS..Hα-helixtrans-56-44.5-172.1176.9-100.7000112.5F9 A10 R15 Y16 R17F9-Y13 AromaticContact CE1-CD2 3.68Å; F9-Y13 HydrophobicContact CE1-CD2 3.68Å; F9-Y13 HydrophobicContact CE1-CE2 4.38Å; F9-Y13 HydrophobicContact CZ-CD2 4.09Å; F9-Y13 WeakPolarHBondContact O-CA 3.41Å; F9-Y13 WeakPolarHBondContact O-CB 3.47Å; F9-Y13 PolarHBondContact O-N 3.46Å; A10-Y13 WeakPolarHBondContact O-CB 3.45Å; A10-Y13 PolarHBondContact O-N 3.01Å; Y13-R15 VanDerWaalsContact C-N 3.35Å; Y13-R15 PolarHBondContact O-N 2.74Å; Y13-Y16 PolarHBondContact O-N 3.23Å; Y13-R17 WeakPolarHBondContact O-CB 3.45Å; Y13-R17 PolarHBondContact O-N 3.44Å
14N84.9Confident87.2Confident89 Ų89111 Ų11148%0.47650%0.5SS..Hα-helixtrans-64.4-38.7179-70.5-27.9000112.1N12 R17 Q18N12-N14 VanDerWaalsContact C-N 3.32Å; N12-N14 PolarHBondContact O-N 3.46Å; N14-R17 PolarHBondContact O-N 3.12Å; N14-Q18 WeakPolarHBondContact O-CG 3.46Å; N14-Q18 PolarHBondContact O-N 3.28Å
15R89.7Confident87.2Confident168 Ų168106.7 Ų106.763%0.63449%0.485SS*.Hα-helixtrans-64.2-43.9173.7-88.7-176.2-176.4164.4-0.1111.6N12 Y13 R17 Q18 K19N12-R15 WeakPolarHBondContact O-CB 3.35Å; N12-R15 PolarHBondContact O-N 2.88Å; Y13-R15 VanDerWaalsContact C-N 3.35Å; Y13-R15 PolarHBondContact O-N 2.74Å; R15-R17 VanDerWaalsContact C-N 3.34Å; R15-Q18 PolarHBondContact O-N 3.12Å; R15-K19 WeakPolarHBondContact O-CG 3.26Å; R15-K19 PolarHBondContact O-N 3.44Å
16Y90.8Very high87.4Confident109 Ų109107.9 Ų107.943%0.42749%0.488SS..Hα-helixtrans-63.2-42.6177.4-65.9-45.7000111.6F9 N12 Y13 Q18 K19 E20F9-Y16 AromaticContact CD2-CD2 3.94Å; F9-Y16 HydrophobicContact CD2-CD2 3.94Å; F9-Y16 AromaticContact CD2-CE2 3.75Å; F9-Y16 HydrophobicContact CD2-CE2 3.75Å; F9-Y16 AromaticContact CE2-CD2 3.64Å; F9-Y16 HydrophobicContact CE2-CD2 3.64Å; F9-Y16 AromaticContact CE2-CE2 3.88Å; F9-Y16 HydrophobicContact CE2-CE2 3.88Å; F9-Y16 HydrophobicContact CZ-CD2 4.36Å; N12-Y16 HydrophobicContact CB-CD2 3.96Å; N12-Y16 HydrophobicContact CB-CE2 3.45Å; N12-Y16 VanDerWaalsContact CB-CE2 3.45Å; N12-Y16 WeakPolarHBondContact O-CD2 3.46Å; N12-Y16 PolarHBondContact O-N 3.27Å; Y13-Y16 PolarHBondContact O-N 3.23Å; Y16-Q18 PolarHBondContact O-N 3.45Å; Y16-K19 PolarHBondContact O-N 2.97Å; Y16-E20 WeakPolarHBondContact O-CB 3.48Å; Y16-E20 PolarHBondContact O-N 3.07Å
17R87.7Confident87.2Confident117 Ų117107.3 Ų107.344%0.44250%0.497SS..Hα-helixtrans-60.5-43.7176-163.1-155.3-172-106.8-9112.2Y13 N14 R15 E20 E21Y13-R17 WeakPolarHBondContact O-CB 3.45Å; Y13-R17 PolarHBondContact O-N 3.44Å; N14-R17 PolarHBondContact O-N 3.12Å; R15-R17 VanDerWaalsContact C-N 3.34Å; R17-E20 PolarHBondContact O-N 2.85Å; R17-E21 IonicContact CZ-OE1 3.87Å; R17-E21 VanDerWaalsContact NH1-CD 3.3Å; R17-E21 IonicContact NH1-OE1 2.72Å; R17-E21 PolarHBondContact NH1-OE1 2.88Å; R17-E21 IonicContact NH1-OE2 3.61Å; R17-E21 PolarHBondContact NH1-OE2 3.05Å; R17-E21 IonicContact NH2-OE1 2.71Å; R17-E21 PolarHBondContact NH2-OE1 3.39Å; R17-E21 VanDerWaalsContact NH2-OE1 3.16Å; R17-E21 WeakPolarHBondContact O-CB 3.39Å; R17-E21 PolarHBondContact O-N 2.92Å
18Q87.4Confident87.2Confident126 Ų126110.2 Ų110.259%0.58951%0.508SS*.Hα-helixtrans-64.2-43.1176.5-75.7173.1-10.400111.9N14 R15 Y16 E20 E21 Y22N14-Q18 WeakPolarHBondContact O-CG 3.46Å; N14-Q18 PolarHBondContact O-N 3.28Å; R15-Q18 PolarHBondContact O-N 3.12Å; Y16-Q18 PolarHBondContact O-N 3.45Å; Q18-E20 VanDerWaalsContact C-N 3.35Å; Q18-E21 PolarHBondContact O-N 3.47Å; Q18-Y22 WeakPolarHBondContact O-CB 3.37Å; Q18-Y22 PolarHBondContact O-N 3Å
19K92.8Very high87Confident136 Ų136111.2 Ų111.259%0.59151%0.509SS*.Hα-helixtrans-62-42.3175-74.6-178.2177.4-173.60112R15 Y16 Y22 E23R15-K19 WeakPolarHBondContact O-CG 3.26Å; R15-K19 PolarHBondContact O-N 3.44Å; Y16-K19 PolarHBondContact O-N 2.97Å; K19-Y22 PolarHBondContact O-N 3.14Å; K19-E23 PolarHBondContact O-N 3.04Å
20E91.8Very high86.8Confident98 Ų98108 Ų10846%0.45851%0.506SS..Hα-helixtrans-66-41.8176.9-168.4-165.3158.300111.9Y16 R17 Q18 E23 K24Y16-E20 WeakPolarHBondContact O-CB 3.48Å; Y16-E20 PolarHBondContact O-N 3.07Å; R17-E20 PolarHBondContact O-N 2.85Å; Q18-E20 VanDerWaalsContact C-N 3.35Å; E20-E23 PolarHBondContact O-N 3.4Å; E20-K24 WeakPolarHBondContact O-CB 3.29Å; E20-K24 WeakPolarHBondContact O-CG 3.48Å; E20-K24 PolarHBondContact O-N 2.87Å; E20-K24 VanDerWaalsContact OE1-CE 3.29Å; E20-K24 WeakPolarHBondContact OE1-CE 3.34Å; E20-K24 IonicContact OE1-NZ 2.66Å; E20-K24 PolarHBondContact OE1-NZ 3.29Å
21E89.1Confident86.4Confident82 Ų82111.6 Ų111.638%0.38352%0.522SS..Hα-helixtrans-64.2-40.6173.8-80-176.7165.300111.6R17 Q18 K24 L25R17-E21 IonicContact CZ-OE1 3.87Å; R17-E21 VanDerWaalsContact NH1-CD 3.3Å; R17-E21 IonicContact NH1-OE1 2.72Å; R17-E21 PolarHBondContact NH1-OE1 2.88Å; R17-E21 IonicContact NH1-OE2 3.61Å; R17-E21 PolarHBondContact NH1-OE2 3.05Å; R17-E21 IonicContact NH2-OE1 2.71Å; R17-E21 PolarHBondContact NH2-OE1 3.39Å; R17-E21 VanDerWaalsContact NH2-OE1 3.16Å; R17-E21 WeakPolarHBondContact O-CB 3.39Å; R17-E21 PolarHBondContact O-N 2.92Å; Q18-E21 PolarHBondContact O-N 3.47Å; E21-K24 PolarHBondContact O-N 2.76Å; E21-L25 WeakPolarHBondContact O-CG 3.45Å; E21-L25 PolarHBondContact O-N 2.9Å
22Y87.4Confident85.2Confident154 Ų154108.7 Ų108.760%0.60453%0.526SS*.Hα-helixtrans-62-45.5174.4177.1-97.5000112Q18 K19 K24 L25 K26Q18-Y22 WeakPolarHBondContact O-CB 3.37Å; Q18-Y22 PolarHBondContact O-N 3Å; K19-Y22 PolarHBondContact O-N 3.14Å; Y22-K24 PolarHBondContact O-N 3.03Å; Y22-L25 PolarHBondContact O-N 3.05Å; Y22-K26 HydrophobicContact CE1-CD 4.37Å; Y22-K26 WeakPolarHBondContact O-CB 3.46Å; Y22-K26 PolarHBondContact O-N 3.28Å
23E88.9Confident83.4Confident133 Ų133114.1 Ų114.162%0.62155%0.547SS*.Hα-helixtrans-63.7-39.1175.2-78.5-176.6168.300112.3K19 E20 L25 K26 A27K19-E23 PolarHBondContact O-N 3.04Å; E20-E23 PolarHBondContact O-N 3.4Å; E23-L25 VanDerWaalsContact C-N 3.34Å; E23-L25 PolarHBondContact O-N 3.42Å; E23-K26 PolarHBondContact O-N 3.37Å; E23-A27 WeakPolarHBondContact O-CB 3.29Å; E23-A27 PolarHBondContact O-N 3.16Å
24K89.4Confident81.5Confident122 Ų122118 Ų11853%0.5357%0.573SS.*Hα-helixtrans-62.1-41172.9-77.9173-174.3164.30112.1E20 E21 Y22 K28E20-K24 WeakPolarHBondContact O-CB 3.29Å; E20-K24 WeakPolarHBondContact O-CG 3.48Å; E20-K24 PolarHBondContact O-N 2.87Å; E20-K24 VanDerWaalsContact OE1-CE 3.29Å; E20-K24 WeakPolarHBondContact OE1-CE 3.34Å; E20-K24 IonicContact OE1-NZ 2.66Å; E20-K24 PolarHBondContact OE1-NZ 3.29Å; E21-K24 PolarHBondContact O-N 2.76Å; Y22-K24 PolarHBondContact O-N 3.03Å; K24-K28 VanDerWaalsContact O-CB 3.24Å; K24-K28 WeakPolarHBondContact O-CB 3.34Å; K24-K28 PolarHBondContact O-N 2.95Å
25L80.7Confident79.3Confident100 Ų100123.9 Ų123.952%0.52459%0.594SS.*Hα-helixtrans-66.8-42.9175.9-74.3171.1000111.3E21 Y22 E23 A27 K28 H29E21-L25 WeakPolarHBondContact O-CG 3.45Å; E21-L25 PolarHBondContact O-N 2.9Å; Y22-L25 PolarHBondContact O-N 3.05Å; E23-L25 VanDerWaalsContact C-N 3.34Å; E23-L25 PolarHBondContact O-N 3.42Å; L25-A27 PolarHBondContact O-N 3.09Å; L25-K28 PolarHBondContact O-N 3.22Å; L25-H29 WeakPolarHBondContact O-CB 3.4Å; L25-H29 PolarHBondContact O-N 3.02Å
26K85.7Confident76.8Confident94 Ų94119 Ų11941%0.40960%0.597SS.*Hα-helixtrans-60.9-42.6175.1-169.8-177.7-177.5-175.90111.8Y22 E23 G30 D31Y22-K26 HydrophobicContact CE1-CD 4.37Å; Y22-K26 WeakPolarHBondContact O-CB 3.46Å; Y22-K26 PolarHBondContact O-N 3.28Å; E23-K26 PolarHBondContact O-N 3.37Å; K26-G30 CarbonylContact O-C 3.6Å; K26-G30 VanDerWaalsContact O-C 3.29Å; K26-G30 WeakPolarHBondContact O-CA 3.44Å; K26-G30 PolarHBondContact O-N 3.42Å; K26-D31 WeakPolarHBondContact CE-OD1 3.43Å; K26-D31 WeakPolarHBondContact CG-OD1 3.47Å; K26-D31 IonicContact NZ-OD1 3.69Å
27A81.6Confident74.1Confident88 Ų88121.6 Ų121.673%0.72762%0.616SS**Hα-helixtrans-66.6-39.4175.600000112.3E23 L25E23-A27 WeakPolarHBondContact O-CB 3.29Å; E23-A27 PolarHBondContact O-N 3.16Å; L25-A27 PolarHBondContact O-N 3.09Å
28K85.4Confident71.5Confident165 Ų165125.8 Ų125.872%0.71764%0.637SS**Hα-helixtrans-77.4-40.9-177.3-174.3178.9176.1-171.60113.5K24 L25K24-K28 VanDerWaalsContact O-CB 3.24Å; K24-K28 WeakPolarHBondContact O-CB 3.34Å; K24-K28 PolarHBondContact O-N 2.95Å; L25-K28 PolarHBondContact O-N 3.22Å
29H83.6Confident69Low129 Ų129127.8 Ų127.860%0.59765%0.651SS**Hα-helixtrans-106.4-2.1-172.6-65-73.2000113.1L25L25-H29 WeakPolarHBondContact O-CB 3.4Å; L25-H29 PolarHBondContact O-N 3.02Å
30G79.5Confident66Low38 Ų38126 Ų12639%0.39266%0.656SS.*  trans70.4174.4-17000000111.8K26 A32K26-G30 CarbonylContact O-C 3.6Å; K26-G30 VanDerWaalsContact O-C 3.29Å; K26-G30 WeakPolarHBondContact O-CA 3.44Å; K26-G30 PolarHBondContact O-N 3.42Å; G30-A32 PolarHBondContact O-N 3.34Å
31D75Confident63.1Low99 Ų99130.5 Ų130.553%0.52967%0.674SS.*  trans-63103.9168.7-69.92000107.7K26 K33K26-D31 WeakPolarHBondContact CE-OD1 3.43Å; K26-D31 WeakPolarHBondContact CG-OD1 3.47Å; K26-D31 IonicContact NZ-OD1 3.69Å; D31-K33 HydrophobicContact CB-CG 4.31Å; D31-K33 PolarHBondContact O-N 3.29Å
32A59.7Low60.4Low91 Ų91135.1 Ų135.175%0.75270%0.701SS**  trans-63.383162.800000106.9G30 L34G30-A32 PolarHBondContact O-N 3.34Å; A32-L34 PolarHBondContact O-N 2.99Å
33K53.8Low57.6Low172 Ų172133.8 Ų133.875%0.74871%0.709SS**  trans-63.490.1169.8-68.7-178.8-177.8178.40105.6D31 K35D31-K33 HydrophobicContact CB-CG 4.31Å; D31-K33 PolarHBondContact O-N 3.29Å; K33-K35 PolarHBondContact O-N 3.04Å
34L46.6Very low54.8Low169 Ų169135.3 Ų135.389%0.88572%0.721SS**  trans-57.497.2160.1-75.4171.2000105.6A32 G36A32-L34 PolarHBondContact O-N 2.99Å; L34-G36 PolarHBondContact O-N 3.34Å
35K39.5Very low52.4Low211 Ų211136.2 Ų136.292%0.91774%0.737SS**SBendtrans-63.1102.4174.7-76.9-179.8177.3175.80106.6K33K33-K35 PolarHBondContact O-N 3.04Å
36G35.6Very low50Low67 Ų67139.2 Ų139.269%0.69175%0.754SS**  trans120.162.815400000116.5L34L34-G36 PolarHBondContact O-N 3.34Å
37I35.9Very low47.1Very low162 Ų162144 Ų14483%0.83177%0.774SS**  trans-133.5111.2146.1-54.9178.6000107.5L39I37-L39 PolarHBondContact O-N 3.45Å
38K32.7Very low44.7Very low205 Ų205149.1 Ų149.189%0.89178%0.781SS**  trans-73.990.2-178.4-68.1172.6-179.91710109.4S40K38-S40 PolarHBondContact O-N 3.02Å
39L34.7Very low41.8Very low168 Ų168146.3 Ų146.388%0.8878%0.777SS**  trans-10071.1171.9-162.367.4000110.3I37I37-L39 PolarHBondContact O-N 3.45Å
40S30.2Very low39.4Very low98 Ų98147.9 Ų147.969%0.68579%0.79SS**  trans-112.296.2168.960.50000108.3K38K38-S40 PolarHBondContact O-N 3.02Å
41K30.8Very low37Very low193 Ų193153.6 Ų153.684%0.83981%0.806SS**  trans165.298.6160.8-95.3160.5-172.3-174.10106.2
42L31.6Very low34.9Very low180 Ų180155.5 Ų155.594%0.94282%0.816SS**  trans173.162.6152.1-92167.7000107.9
43T28Very low33.8Very low126 Ų126157.8 Ų157.877%0.77382%0.821SS**  trans-140.681.2165.253.50000106.4
44D31.4Very low32.7Very low164 Ų164155.8 Ų155.888%0.87782%0.823SS**  trans-168.969.6168.2-86.3-30.4000109.7
45T37.7Very low31.8Very low141 Ų141152.8 Ų152.887%0.86582%0.823SS**  trans-138112.7153.954.70000109.4
46N30.3Very low31.6Very low164 Ų164147.2 Ų147.288%0.87782%0.816SS**  trans-73.7129.8-165.7-154.80.1000111.4
47F25.4Very low31.4Very low193 Ų193149.1 Ų149.185%0.84682%0.819SS**  trans-60.6130.4169-111.3-111.2000109.9
48K30.8Very low31.2Very low197 Ų197148.4 Ų148.486%0.85782%0.821SS**  trans-138122.5161.1-149.1169.2-176.9-177.50110.1
49V26.2Very low31.3Very low105 Ų105143.5 Ų143.564%0.63681%0.813SS**  trans-84136-177.7174.60000108.3
50D32.6Very low31.2Very low162 Ų162142.4 Ų142.487%0.86681%0.808SS**  trans-141.8133156-79-46.9000108.5
51E28.9Very low31.8Very low159 Ų159144.4 Ų144.474%0.74381%0.811SS**  trans-85.9164.8-170.8-64.9-156.6139.700114.2
52D29.8Very low32Very low138 Ų138142.5 Ų142.574%0.73881%0.81SS**  trans64.795.9147.1-67.3-11.9000120.9
53V37.5Very low32.2Very low140 Ų140141.3 Ų141.385%0.84881%0.805SS**  trans-150.5117.7135-178.30000111.8
54T31.1Very low32.7Very low129 Ų129143.6 Ų143.679%0.79181%0.807SS**  trans1.1139.3154.461.20000122.6
55A26.4Very low32.7Very low107 Ų107138.8 Ų138.888%0.88479%0.786SS**  trans-54.7134.2170.700000116.3
56A36.1Very low32.3Very low93 Ų93138.5 Ų138.577%0.76978%0.784SS**  trans-153.1117.1155.500000111.3
57S31.7Very low32.4Very low108 Ų108140.4 Ų140.476%0.75578%0.78SS**  trans23.3117.9151.258.80000121.7
58V30.6Very low32.7Very low146 Ų146136.5 Ų136.589%0.88578%0.777SS**  34.9107.1123.2-175.20000117.3
59S35Very low32.8Very low102 Ų102132.4 Ų132.471%0.71377%0.773SS**  trans-155.8114.6138.1-1670000108.8N61S59-N61 PolarHBondContact O-N 3.42Å
60D34.2Very low33.1Very low145 Ų145132.8 Ų132.878%0.77578%0.78SS**  trans-49.5124.7159.3-88.1-37.6000108.8
61N41.3Very low33.4Very low141 Ų141129 Ų12975%0.75477%0.767SS**  trans-138.6110.7154.3-89.1-41000106.7S59 D63S59-N61 PolarHBondContact O-N 3.42Å; N61-D63 PolarHBondContact O-N 2.85Å
62D34.8Very low33.9Very low152 Ų152128.6 Ų128.681%0.81377%0.769SS**  trans-63.593.1172.7-62.3-57.3000109.9
63D36.5Very low34.6Very low155 Ų155127.6 Ų127.683%0.82977%0.769SS**  trans-95.297.8165.6-95.6-30.8000109.4N61 S65N61-D63 PolarHBondContact O-N 2.85Å; D63-S65 VanDerWaalsContact C-N 3.27Å; D63-S65 PolarHBondContact O-N 3.38Å
64E37.5Very low35.3Very low175 Ų175127.4 Ų127.482%0.81876%0.763SS**  trans-58.281.2166.2-81.5-80.3166.500110.6T66E64-T66 PolarHBondContact O-N 3.37Å; E64-T66 VanDerWaalsContact O-N 3.07Å
65S32Very low36.2Very low63 Ų63126.5 Ų126.544%0.44175%0.753SS.*  trans-74.5101.3171.567.50000109.6D63 Y67D63-S65 VanDerWaalsContact C-N 3.27Å; D63-S65 PolarHBondContact O-N 3.38Å; S65-Y67 WeakPolarHBondContact O-CD2 3.46Å; S65-Y67 WeakPolarHBondContact O-CE2 3.36Å; S65-Y67 PolarHBondContact O-N 2.93Å; S65-Y67 VanDerWaalsContact OG-CE2 3.31Å; S65-Y67 WeakPolarHBondContact OG-CE2 3.39Å; S65-Y67 PolarHBondContact OG-OH 3.46Å; S65-Y67 VanDerWaalsContact OG-OH 3.12Å
66T29.4Very low38.3Very low134 Ų134123.8 Ų123.882%0.82273%0.728SS**  trans-59.3102.3169.7-61.90000109.5E64 S68E64-T66 PolarHBondContact O-N 3.37Å; E64-T66 VanDerWaalsContact O-N 3.07Å; T66-S68 PolarHBondContact O-N 3.3Å
67Y33.7Very low40Very low205 Ų205125 Ų12580%0.80471%0.713SS**  trans-77.8105.4175.3-64.8-75.3000110S65 S69S65-Y67 WeakPolarHBondContact O-CD2 3.46Å; S65-Y67 WeakPolarHBondContact O-CE2 3.36Å; S65-Y67 PolarHBondContact O-N 2.93Å; S65-Y67 VanDerWaalsContact OG-CE2 3.31Å; S65-Y67 WeakPolarHBondContact OG-CE2 3.39Å; S65-Y67 PolarHBondContact OG-OH 3.46Å; S65-Y67 VanDerWaalsContact OG-OH 3.12Å; Y67-S69 PolarHBondContact O-N 2.9Å
68S30.5Very low42.1Very low110 Ų110126.1 Ų126.177%0.76971%0.706SS**  trans-53.9114.5169.4-171.70000110.5T66 S70T66-S68 PolarHBondContact O-N 3.3Å; S68-S70 PolarHBondContact O-N 3.05Å; S68-S70 VanDerWaalsContact O-N 3.1Å
69S33.5Very low44.3Very low111 Ų111125.6 Ų125.678%0.77669%0.694SS**  trans-74.992.9171.7-173.40000108.4Y67Y67-S69 PolarHBondContact O-N 2.9Å
70S32.6Very low46.7Very low113 Ų113124.2 Ų124.279%0.7968%0.675SS**  trans-99.8105.5169176.90000108.2S68S68-S70 PolarHBondContact O-N 3.05Å; S68-S70 VanDerWaalsContact O-N 3.1Å
71S39.2Very low49.2Very low84 Ų84121.2 Ų121.259%0.58766%0.656SS**  trans176.270.3146.5-163.80000108.8
72D38.3Very low51.3Low149 Ų149119.7 Ų119.780%0.79764%0.644SS**  trans-9621.7177.9-86.5-26.4000112.2
73T45.1Very low53.8Low118 Ų118117 Ų11772%0.72463%0.63SS**SBendtrans-108.3-35.4-168.2-44.10000114.9
74D51.3Low56.5Low135 Ų135110.5 Ų110.572%0.72260%0.595SS**SBendtrans-88-31.9-176.8-87.3-15.2000113.8S76D74-S76 VanDerWaalsContact C-N 3.26Å; D74-S76 PolarHBondContact O-N 3.07Å
75D50.8Low59.2Low111 Ų111107.1 Ų107.159%0.59458%0.578SS**Hα-helixtrans-69.5-21.2-176.6-69-21.1000113.4W77 E79D75-W77 VanDerWaalsContact C-N 3.35Å; D75-W77 PolarHBondContact O-N 3.47Å; D75-E79 PolarHBondContact O-N 3.37Å
76S69.5Low62.1Low49 Ų49107.2 Ų107.234%0.34357%0.573SS.*Hα-helixtrans-68.2-31.8-175.6-174.60000113.1D74 K80D74-S76 VanDerWaalsContact C-N 3.26Å; D74-S76 PolarHBondContact O-N 3.07Å; S76-K80 VanDerWaalsContact O-CG 3.28Å; S76-K80 WeakPolarHBondContact O-CG 3.41Å; S76-K80 PolarHBondContact O-N 3.24Å
77W72Confident65.1Low120 Ų120104.7 Ų104.746%0.45556%0.558SS.*Hα-helixtrans-74-41.1-177.9-177.979.9000111.9D75 E79 K80 Q81D75-W77 VanDerWaalsContact C-N 3.35Å; D75-W77 PolarHBondContact O-N 3.47Å; W77-E79 VanDerWaalsContact C-N 3.31Å; W77-E79 PolarHBondContact O-N 3.19Å; W77-K80 PolarHBondContact O-N 2.93Å; W77-Q81 HydrophobicContact CD2-CG 4.09Å; W77-Q81 HydrophobicContact CE3-CG 4.27Å; W77-Q81 HydrophobicContact CH2-CG 4.31Å; W77-Q81 VanDerWaalsContact CZ2-CD 3.44Å; W77-Q81 HydrophobicContact CZ2-CG 4.07Å; W77-Q81 VanDerWaalsContact CZ3-CD 3.45Å; W77-Q81 HydrophobicContact CZ3-CG 4.37Å; W77-Q81 WeakPolarHBondContact O-CG 3.43Å; W77-Q81 PolarHBondContact O-N 2.85Å
78E76.1Confident68.1Low130 Ų13096.4 Ų96.461%0.60753%0.527SS*.Hα-helixtrans-62.9-38.8175.9-65-176.9171.900111.2Q81 H82E78-Q81 PolarHBondContact O-N 3.49Å; E78-H82 WeakPolarHBondContact O-CB 3.4Å; E78-H82 PolarHBondContact O-N 3.31Å
79E77.6Confident71.1Confident136 Ų13697.4 Ų97.464%0.63652%0.515SS*.Hα-helixtrans-64.5-43.4171.7-82.6-173.6158.900112.5D75 W77 Q81 H82 D83D75-E79 PolarHBondContact O-N 3.37Å; W77-E79 VanDerWaalsContact C-N 3.31Å; W77-E79 PolarHBondContact O-N 3.19Å; E79-Q81 VanDerWaalsContact C-N 3.33Å; E79-Q81 PolarHBondContact O-N 3.36Å; E79-H82 WeakPolarHBondContact O-CB 3.23Å; E79-H82 PolarHBondContact O-N 3.21Å; E79-H82 VanDerWaalsContact O-N 3.12Å; E79-D83 PolarHBondContact O-N 2.79Å
80K86Confident73.8Confident72 Ų7297.4 Ų97.431%0.31350%0.503SS..Hα-helixtrans-60.2-41.7175.6-74.7171.8-176.9179.20111.8S76 W77 H82 D83 D84 D114S76-K80 VanDerWaalsContact O-CG 3.28Å; S76-K80 WeakPolarHBondContact O-CG 3.41Å; S76-K80 PolarHBondContact O-N 3.24Å; W77-K80 PolarHBondContact O-N 2.93Å; K80-H82 VanDerWaalsContact C-N 3.31Å; K80-H82 PolarHBondContact O-N 3.04Å; K80-D83 PolarHBondContact O-N 3.34Å; K80-D84 PolarHBondContact O-N 3.44Å; K80-D114 IonicContact NZ-OD2 2.67Å; K80-D114 PolarHBondContact NZ-OD2 2.99Å
81Q86.3Confident76.7Confident82 Ų8292.3 Ų92.338%0.38347%0.467SS..Hα-helixtrans-63.9-37.8174.9-71.4-162.5-42.500112.4W77 E78 E79 F85W77-Q81 HydrophobicContact CD2-CG 4.09Å; W77-Q81 HydrophobicContact CE3-CG 4.27Å; W77-Q81 HydrophobicContact CH2-CG 4.31Å; W77-Q81 VanDerWaalsContact CZ2-CD 3.44Å; W77-Q81 HydrophobicContact CZ2-CG 4.07Å; W77-Q81 VanDerWaalsContact CZ3-CD 3.45Å; W77-Q81 HydrophobicContact CZ3-CG 4.37Å; W77-Q81 WeakPolarHBondContact O-CG 3.43Å; W77-Q81 PolarHBondContact O-N 2.85Å; E78-Q81 PolarHBondContact O-N 3.49Å; E79-Q81 VanDerWaalsContact C-N 3.33Å; E79-Q81 PolarHBondContact O-N 3.36Å; Q81-F85 WeakPolarHBondContact O-CB 3.2Å; Q81-F85 PolarHBondContact O-N 3.38Å
82H83.9Confident79.3Confident109 Ų10992.6 Ų92.651%0.50546%0.462SS..Hα-helixtrans-64-42.9177-167.569.8000111.5E78 E79 K80 F85 L86E78-H82 WeakPolarHBondContact O-CB 3.4Å; E78-H82 PolarHBondContact O-N 3.31Å; E79-H82 WeakPolarHBondContact O-CB 3.23Å; E79-H82 PolarHBondContact O-N 3.21Å; E79-H82 VanDerWaalsContact O-N 3.12Å; K80-H82 VanDerWaalsContact C-N 3.31Å; K80-H82 PolarHBondContact O-N 3.04Å; H82-F85 PolarHBondContact O-N 3.15Å; H82-L86 WeakPolarHBondContact O-CG 3.41Å; H82-L86 PolarHBondContact O-N 3.21Å
83D88.7Confident81.8Confident95 Ų9589.4 Ų89.451%0.50845%0.45SS..Hα-helixtrans-64.8-43177.4-75.1-15.3000112.5E79 K80 F85 L86 T87E79-D83 PolarHBondContact O-N 2.79Å; K80-D83 PolarHBondContact O-N 3.34Å; D83-F85 VanDerWaalsContact C-N 3.33Å; D83-F85 PolarHBondContact O-N 3.22Å; D83-L86 PolarHBondContact O-N 3.4Å; D83-T87 WeakPolarHBondContact O-CB 3.45Å; D83-T87 PolarHBondContact O-N 2.96Å; D83-T87 PolarHBondContact O-OG1 3.23Å
84D93.4Very high84Confident19 Ų1991 Ų9110%0.10245%0.447CS..Hα-helixtrans-62-42.1175.7-76.6-13.3000111.2K80 T87 L88 W106 F107 R108K80-D84 PolarHBondContact O-N 3.44Å; D84-T87 WeakPolarHBondContact O-CB 3.18Å; D84-T87 PolarHBondContact O-N 3.41Å; D84-L88 PolarHBondContact O-N 3.06Å; D84-W106 WeakPolarHBondContact CB-O 3.33Å; D84-F107 HydrophobicContact CB-CD1 3.9Å; D84-F107 HydrophobicContact CB-CE1 4.43Å; D84-R108 IonicContact OD1-NE 2.66Å; D84-R108 WeakPolarHBondContact OD2-CB 3.13Å; D84-R108 WeakPolarHBondContact OD2-CG 3.4Å; D84-R108 PolarHBondContact OD2-N 3.16Å
85F94.3Very high85.7Confident104 Ų10491.1 Ų91.146%0.45645%0.448SS..Hα-helixtrans-61.9-45.9174.5175.3-94.7000112.3Q81 H82 D83 T87 L88 Y89 F107Q81-F85 WeakPolarHBondContact O-CB 3.2Å; Q81-F85 PolarHBondContact O-N 3.38Å; H82-F85 PolarHBondContact O-N 3.15Å; D83-F85 VanDerWaalsContact C-N 3.33Å; D83-F85 PolarHBondContact O-N 3.22Å; F85-T87 PolarHBondContact O-N 3.03Å; F85-L88 PolarHBondContact O-N 2.97Å; F85-Y89 WeakPolarHBondContact O-CB 3.36Å; F85-Y89 PolarHBondContact O-N 3.05Å; F85-F107 HydrophobicContact CB-CE1 4.18Å
86L92.9Very high87.5Confident66 Ų6688.9 Ų88.935%0.34644%0.436SS..Hα-helixtrans-62.3-35.9177.6-72.5175.1000111.4H82 D83 Y89 Q90H82-L86 WeakPolarHBondContact O-CG 3.41Å; H82-L86 PolarHBondContact O-N 3.21Å; D83-L86 PolarHBondContact O-N 3.4Å; L86-Y89 PolarHBondContact O-N 3.41Å; L86-Q90 WeakPolarHBondContact O-CB 3.45Å; L86-Q90 VanDerWaalsContact O-CG 3.3Å; L86-Q90 WeakPolarHBondContact O-CG 3.48Å; L86-Q90 PolarHBondContact O-N 2.91Å
87T92.4Very high88.4Confident81 Ų8191.2 Ų91.250%0.49745%0.45SS..Hα-helixtrans-64.7-47.7175.7-550000111.3D83 D84 F85 Y89 Q90 A91D83-T87 WeakPolarHBondContact O-CB 3.45Å; D83-T87 PolarHBondContact O-N 2.96Å; D83-T87 PolarHBondContact O-OG1 3.23Å; D84-T87 WeakPolarHBondContact O-CB 3.18Å; D84-T87 PolarHBondContact O-N 3.41Å; F85-T87 PolarHBondContact O-N 3.03Å; T87-Y89 PolarHBondContact O-N 3.25Å; T87-Q90 PolarHBondContact O-N 3.25Å; T87-A91 PolarHBondContact O-N 2.77Å; T87-A91 VanDerWaalsContact O-N 3.08Å
88L95Very high89.3Confident30 Ų3086.7 Ų86.716%0.15744%0.436CS..Hα-helixtrans-61-43.1173.517160.2000112D84 F85 Q90 A91 L92 L99 W106 F107D84-L88 PolarHBondContact O-N 3.06Å; F85-L88 PolarHBondContact O-N 2.97Å; L88-Q90 VanDerWaalsContact C-N 3.35Å; L88-Q90 PolarHBondContact O-N 3.4Å; L88-A91 WeakPolarHBondContact O-CB 3.41Å; L88-A91 PolarHBondContact O-N 3.18Å; L88-L92 HydrophobicContact CD1-CD1 4.07Å; L88-L92 HydrophobicContact CD1-CG 4.16Å; L88-L92 HydrophobicContact CG-CD1 4.08Å; L88-L92 PolarHBondContact O-N 3.35Å; L88-L99 HydrophobicContact CD1-CD2 3.73Å; L88-W106 VanDerWaalsContact CA-CE3 3.41Å; L88-W106 HydrophobicContact CB-CB 4.26Å; L88-W106 HydrophobicContact CB-CD2 3.98Å; L88-W106 HydrophobicContact CB-CE3 3.58Å; L88-W106 HydrophobicContact CB-CG 4.27Å; L88-W106 HydrophobicContact CB-CZ3 4.29Å; L88-W106 HydrophobicContact CD1-CB 4.4Å; L88-W106 HydrophobicContact CD1-CD2 3.36Å; L88-W106 HydrophobicContact CD1-CE3 3.71Å; L88-W106 HydrophobicContact CD1-CG 3.67Å; L88-W106 HydrophobicContact CD1-CH2 4.45Å; L88-W106 HydrophobicContact CD1-CZ2 4.16Å; L88-W106 HydrophobicContact CD1-CZ3 4.23Å; L88-W106 HydrophobicContact CD2-CB 4.23Å; L88-W106 HydrophobicContact CD2-CG 4.31Å; L88-W106 HydrophobicContact CG-CD2 4.15Å; L88-W106 HydrophobicContact CG-CE3 4.21Å; L88-W106 HydrophobicContact CG-CG 4.28Å; L88-F107 HydrophobicContact CD2-CE2 3.79Å; L88-F107 HydrophobicContact CD2-CZ 3.98Å
89Y93.4Very high89.9Confident132 Ų13282.8 Ų82.852%0.51842%0.419SS..Hα-helixtrans-63.1-41.3178.6-178.7-100.3000111.8F85 L86 T87 A91 L92 C93F85-Y89 WeakPolarHBondContact O-CB 3.36Å; F85-Y89 PolarHBondContact O-N 3.05Å; L86-Y89 PolarHBondContact O-N 3.41Å; T87-Y89 PolarHBondContact O-N 3.25Å; Y89-A91 VanDerWaalsContact C-N 3.33Å; Y89-A91 PolarHBondContact O-N 2.95Å; Y89-L92 PolarHBondContact O-N 3.04Å; Y89-C93 WeakPolarHBondContact CE1-SG 3.37Å; Y89-C93 VanDerWaalsContact CZ-SG 3.51Å; Y89-C93 WeakPolarHBondContact O-CB 3.48Å; Y89-C93 PolarHBondContact O-N 2.92Å; Y89-C93 PolarHBondContact O-SG 2.93Å
90Q90.8Very high90.4Very high111 Ų11183.1 Ų83.152%0.51943%0.425SS..Hα-helixtrans-62.9-39.5174.4-76.3-177.929.200112.1L86 T87 L88 C93 K94L86-Q90 WeakPolarHBondContact O-CB 3.45Å; L86-Q90 VanDerWaalsContact O-CG 3.3Å; L86-Q90 WeakPolarHBondContact O-CG 3.48Å; L86-Q90 PolarHBondContact O-N 2.91Å; T87-Q90 PolarHBondContact O-N 3.25Å; L88-Q90 VanDerWaalsContact C-N 3.35Å; L88-Q90 PolarHBondContact O-N 3.4Å; Q90-C93 PolarHBondContact O-N 3.3Å; Q90-K94 WeakPolarHBondContact O-CB 3.25Å; Q90-K94 WeakPolarHBondContact O-CG 3.5Å; Q90-K94 PolarHBondContact O-N 3.39Å
91A94Very high90.5Very high6 Ų684.2 Ų84.25%0.0544%0.435CS..Hα-helixtrans-65.5-44.3176.100000111.8T87 L88 Y89 C93 K94 N95 D96 L99 W106T87-A91 PolarHBondContact O-N 2.77Å; T87-A91 VanDerWaalsContact O-N 3.08Å; L88-A91 WeakPolarHBondContact O-CB 3.41Å; L88-A91 PolarHBondContact O-N 3.18Å; Y89-A91 VanDerWaalsContact C-N 3.33Å; Y89-A91 PolarHBondContact O-N 2.95Å; A91-C93 PolarHBondContact O-N 3.2Å; A91-K94 CarbonylContact O-C 3.51Å; A91-K94 PolarHBondContact O-N 3.14Å; A91-K94 VanDerWaalsContact O-N 3.16Å; A91-N95 PolarHBondContact O-N 3.41Å; A91-D96 HydrophobicContact CB-CB 3.87Å; A91-D96 PolarHBondContact O-N 3.13Å; A91-L99 HydrophobicContact CB-CD2 4.25Å; A91-L99 HydrophobicContact CB-CG 4.34Å; A91-L99 WeakPolarHBondContact O-CD1 3.44Å; A91-W106 HydrophobicContact CB-CH2 3.16Å; A91-W106 HydrophobicContact CB-CZ2 4.16Å; A91-W106 HydrophobicContact CB-CZ3 3.48Å; A91-W106 VanDerWaalsContact CB-CZ3 3.48Å
92L93Very high90.5Very high90 Ų9086.2 Ų86.247%0.47146%0.455SS..Hα-helixtrans-59.1-44.6173-76.4167.4000111.9L88 Y89 K94 N95 L99L88-L92 HydrophobicContact CD1-CD1 4.07Å; L88-L92 HydrophobicContact CD1-CG 4.16Å; L88-L92 HydrophobicContact CG-CD1 4.08Å; L88-L92 PolarHBondContact O-N 3.35Å; Y89-L92 PolarHBondContact O-N 3.04Å; L92-K94 PolarHBondContact O-N 3.24Å; L92-N95 PolarHBondContact O-N 3.08Å; L92-N95 PolarHBondContact O-OD1 2.92Å; L92-L99 HydrophobicContact CD2-CD1 3.89Å; L92-L99 HydrophobicContact CD2-CD2 3.82Å; L92-L99 HydrophobicContact CG-CD1 4.29Å; L92-L99 HydrophobicContact CG-CD2 3.9Å
93C91.6Very high90.7Very high81 Ų8188.4 Ų88.455%0.54747%0.47SS..Hα-helixtrans-63.6-31.1177-68.10000112.9Y89 Q90 A91Y89-C93 WeakPolarHBondContact CE1-SG 3.37Å; Y89-C93 VanDerWaalsContact CZ-SG 3.51Å; Y89-C93 WeakPolarHBondContact O-CB 3.48Å; Y89-C93 PolarHBondContact O-N 2.92Å; Y89-C93 PolarHBondContact O-SG 2.93Å; Q90-C93 PolarHBondContact O-N 3.3Å; A91-C93 PolarHBondContact O-N 3.2Å
94K91.3Very high90.7Very high153 Ų15389.4 Ų89.467%0.66547%0.47SS*.Hα-helixtrans-90.4-2.1179.4-69.9176-178.8173.80113.3Q90 A91 L92 D96Q90-K94 WeakPolarHBondContact O-CB 3.25Å; Q90-K94 WeakPolarHBondContact O-CG 3.5Å; Q90-K94 PolarHBondContact O-N 3.39Å; A91-K94 CarbonylContact O-C 3.51Å; A91-K94 PolarHBondContact O-N 3.14Å; A91-K94 VanDerWaalsContact O-N 3.16Å; L92-K94 PolarHBondContact O-N 3.24Å; K94-D96 PolarHBondContact O-N 2.96Å
95N86.9Confident90.4Very high137 Ų13794.7 Ų94.773%0.73349%0.494SS*.THydrogen-bonded Turntrans45.747.2-167.4-71.1-22.2000111.4A91 L92A91-N95 PolarHBondContact O-N 3.41Å; L92-N95 PolarHBondContact O-N 3.08Å; L92-N95 PolarHBondContact O-OD1 2.92Å
96D89.6Confident90.3Very high63 Ų6392.2 Ų92.234%0.33748%0.482SS..  trans-59.9127.5-177.4-167.1-45.6000110.2A91 K94 S98 L99A91-D96 HydrophobicContact CB-CB 3.87Å; A91-D96 PolarHBondContact O-N 3.13Å; K94-D96 PolarHBondContact O-N 2.96Å; D96-S98 PolarHBondContact O-N 2.86Å; D96-S98 WeakPolarHBondContact OD1-CB 2.97Å; D96-S98 PolarHBondContact OD1-N 3.39Å; D96-S98 PolarHBondContact OD1-OG 3Å; D96-L99 WeakPolarHBondContact O-CB 3.49Å; D96-L99 WeakPolarHBondContact O-CD1 3.48Å; D96-L99 WeakPolarHBondContact O-CG 3.11Å; D96-L99 PolarHBondContact O-N 3.19Å
97P88.3Confident90.3Very high99 Ų9993.6 Ų93.664%0.64349%0.485SS*.G310 helixtrans-52.9-26.2178.9-28.535.8000114.5L99 N100P97-L99 PolarHBondContact O-N 2.93Å; P97-L99 VanDerWaalsContact O-N 3.17Å; P97-N100 PolarHBondContact O-N 2.91Å
98S90.1Very high89.9Confident24 Ų2498.4 Ų98.417%0.16849%0.494CS..G310 helixtrans-62.3-17.6176.658.40000114.2D96 N100 D101D96-S98 PolarHBondContact O-N 2.86Å; D96-S98 WeakPolarHBondContact OD1-CB 2.97Å; D96-S98 PolarHBondContact OD1-N 3.39Å; D96-S98 PolarHBondContact OD1-OG 3Å; S98-N100 PolarHBondContact O-N 2.82Å; S98-D101 PolarHBondContact O-N 3.15Å
99L89Confident89.2Confident49 Ų49103.4 Ų103.426%0.25752%0.517SS..G310 helixtrans-64-24.5172-69.3163000112.9L88 A91 L92 D96 P97 W106L88-L99 HydrophobicContact CD1-CD2 3.73Å; A91-L99 HydrophobicContact CB-CD2 4.25Å; A91-L99 HydrophobicContact CB-CG 4.34Å; A91-L99 WeakPolarHBondContact O-CD1 3.44Å; L92-L99 HydrophobicContact CD2-CD1 3.89Å; L92-L99 HydrophobicContact CD2-CD2 3.82Å; L92-L99 HydrophobicContact CG-CD1 4.29Å; L92-L99 HydrophobicContact CG-CD2 3.9Å; D96-L99 WeakPolarHBondContact O-CB 3.49Å; D96-L99 WeakPolarHBondContact O-CD1 3.48Å; D96-L99 WeakPolarHBondContact O-CG 3.11Å; D96-L99 PolarHBondContact O-N 3.19Å; P97-L99 PolarHBondContact O-N 2.93Å; P97-L99 VanDerWaalsContact O-N 3.17Å; L99-W106 HydrophobicContact CD2-CH2 4.04Å; L99-W106 HydrophobicContact CD2-CZ2 3.45Å; L99-W106 VanDerWaalsContact CD2-CZ2 3.45Å; L99-W106 HydrophobicContact CG-CH2 4.45Å; L99-W106 HydrophobicContact CG-CZ2 3.97Å
100N86.9Confident87.9Confident142 Ų142101.8 Ų101.876%0.75952%0.523SS*.G310 helixtrans-88.9-6.1178-65-38.4000112.9P97 S98 P102P97-N100 PolarHBondContact O-N 2.91Å; S98-N100 PolarHBondContact O-N 2.82Å; N100-P102 VanDerWaalsContact O-CD 3.23Å; N100-P102 WeakPolarHBondContact O-CD 3.49Å
101D88.1Confident86.1Confident96 Ų96100.6 Ų100.651%0.51353%0.526SS..  trans-83.4108.8178.6-69.9-32.6000109.9S98 N103 K104S98-D101 PolarHBondContact O-N 3.15Å; D101-N103 PolarHBondContact O-N 3.18Å; D101-K104 HydrophobicContact CB-CB 4.22Å; D101-K104 PolarHBondContact O-N 2.91Å; D101-K104 VanDerWaalsContact O-N 3.11Å
102P87.3Confident83.6Confident123 Ų123110.1 Ų110.180%0.79957%0.57SS**THydrogen-bonded Turntrans-66.1-14.7-177.527.5-35.5000113.4N100N100-P102 VanDerWaalsContact O-CD 3.23Å; N100-P102 WeakPolarHBondContact O-CD 3.49Å
103N88Confident81.2Confident156 Ų156109.8 Ų109.883%0.83458%0.575SS**THydrogen-bonded Turntrans-90.2-5.6179.9-63.5-13000112.9D101 Q105D101-N103 PolarHBondContact O-N 3.18Å; N103-Q105 PolarHBondContact O-N 3.14Å
104K89.4Confident78.6Confident115 Ų115112.2 Ų112.250%0.558%0.583SS.*  trans-84111.6179.1-174.966.2179-178.10109.9D101 W106D101-K104 HydrophobicContact CB-CB 4.22Å; D101-K104 PolarHBondContact O-N 2.91Å; D101-K104 VanDerWaalsContact O-N 3.11Å; K104-W106 HydrophobicContact CG-CZ2 4.37Å
105Q87Confident75.9Confident130 Ų130111.5 Ų111.561%0.60759%0.586SS**  trans-80.9128168.7-71-167.7-32.300110.3N103 E109N103-Q105 PolarHBondContact O-N 3.14Å; Q105-E109 PolarHBondContact NE2-OE1 2.94Å; Q105-E109 VanDerWaalsContact NE2-OE1 3.11Å
106W91.8Very high73.4Confident52 Ų52113 Ų11320%0.19759%0.589CS.*SBendtrans-90.9-23.6179.8-71.599.6000113.6D84 L88 A91 L99 K104D84-W106 WeakPolarHBondContact CB-O 3.33Å; L88-W106 VanDerWaalsContact CA-CE3 3.41Å; L88-W106 HydrophobicContact CB-CB 4.26Å; L88-W106 HydrophobicContact CB-CD2 3.98Å; L88-W106 HydrophobicContact CB-CE3 3.58Å; L88-W106 HydrophobicContact CB-CG 4.27Å; L88-W106 HydrophobicContact CB-CZ3 4.29Å; L88-W106 HydrophobicContact CD1-CB 4.4Å; L88-W106 HydrophobicContact CD1-CD2 3.36Å; L88-W106 HydrophobicContact CD1-CE3 3.71Å; L88-W106 HydrophobicContact CD1-CG 3.67Å; L88-W106 HydrophobicContact CD1-CH2 4.45Å; L88-W106 HydrophobicContact CD1-CZ2 4.16Å; L88-W106 HydrophobicContact CD1-CZ3 4.23Å; L88-W106 HydrophobicContact CD2-CB 4.23Å; L88-W106 HydrophobicContact CD2-CG 4.31Å; L88-W106 HydrophobicContact CG-CD2 4.15Å; L88-W106 HydrophobicContact CG-CE3 4.21Å; L88-W106 HydrophobicContact CG-CG 4.28Å; A91-W106 HydrophobicContact CB-CH2 3.16Å; A91-W106 HydrophobicContact CB-CZ2 4.16Å; A91-W106 HydrophobicContact CB-CZ3 3.48Å; A91-W106 VanDerWaalsContact CB-CZ3 3.48Å; L99-W106 HydrophobicContact CD2-CH2 4.04Å; L99-W106 HydrophobicContact CD2-CZ2 3.45Å; L99-W106 VanDerWaalsContact CD2-CZ2 3.45Å; L99-W106 HydrophobicContact CG-CH2 4.45Å; L99-W106 HydrophobicContact CG-CZ2 3.97Å; K104-W106 HydrophobicContact CG-CZ2 4.37Å
107F92.1Very high70.6Confident96 Ų96115.7 Ų115.742%0.42161%0.613SS.*SBendtrans-119.3132.3-178-63.8-87.5000108.7D84 F85 L88 E109D84-F107 HydrophobicContact CB-CD1 3.9Å; D84-F107 HydrophobicContact CB-CE1 4.43Å; F85-F107 HydrophobicContact CB-CE1 4.18Å; L88-F107 HydrophobicContact CD2-CE2 3.79Å; L88-F107 HydrophobicContact CD2-CZ 3.98Å; F107-E109 PolarHBondContact O-N 2.85Å
108R84.9Confident67.9Low181 Ų181115.5 Ų115.568%0.68361%0.613SS**  trans-68.4126.6173.9-66.4173.6-172.4-165.90.2109.1D84D84-R108 IonicContact OD1-NE 2.66Å; D84-R108 WeakPolarHBondContact OD2-CB 3.13Å; D84-R108 WeakPolarHBondContact OD2-CG 3.4Å; D84-R108 PolarHBondContact OD2-N 3.16Å
109E80.4Confident64.8Low135 Ų135124.5 Ų124.563%0.63165%0.649SS**  trans-67.6142.3175-79.9-179.6-167.700110.8Q105 F107 S111Q105-E109 PolarHBondContact NE2-OE1 2.94Å; Q105-E109 VanDerWaalsContact NE2-OE1 3.11Å; F107-E109 PolarHBondContact O-N 2.85Å; E109-S111 VanDerWaalsContact C-N 3.33Å; E109-S111 PolarHBondContact O-N 3.09Å
110P65.7Low62Low99 Ų99127.5 Ų127.564%0.64368%0.675SS**  trans-73.685.1176.628.7-31.3000109.8
111S52.2Low59.3Low85 Ų85126 Ų12659%0.59468%0.676SS**  trans-102.6126172.261.40000111.1E109 S113E109-S111 VanDerWaalsContact C-N 3.33Å; E109-S111 PolarHBondContact O-N 3.09Å; S111-S113 PolarHBondContact O-N 2.85Å
112E43.1Very low56.3Low206 Ų206129 Ų12996%0.96369%0.691SS**SBendtrans-68.637.4-172-63.1176.5144.900115.8
113S41.7Very low53.6Low83 Ų83132.1 Ų132.158%0.5870%0.695SS**  trans-150.378.7177.164.20000111.5S111 D115S111-S113 PolarHBondContact O-N 2.85Å; S113-D115 PolarHBondContact O-N 3.33Å
114D36.9Very low50.8Low133 Ų133132 Ų13271%0.71169%0.693SS**  trans-82.433.4165.8-87.7-18.6000111.2K80K80-D114 IonicContact NZ-OD2 2.67Å; K80-D114 PolarHBondContact NZ-OD2 2.99Å
115D34.8Very low47.9Very low138 Ų138132 Ų13274%0.73871%0.707SS**  trans-105.4137.9161.1-69.9-37.1000107S113S113-D115 PolarHBondContact O-N 3.33Å
116E33.4Very low44.8Very low168 Ų168135 Ų13579%0.78572%0.721SS**  trans97.143.4-177.7-49.5-60.2147.500116.7S118E116-S118 PolarHBondContact O-N 2.9Å
117S31.4Very low41.8Very low120 Ų120137.7 Ų137.784%0.83975%0.748SS**  trans-83.780.4148.371.80000110.9
118S31.2Very low38.9Very low94 Ų94141.8 Ų141.866%0.65777%0.769SS**  trans-176.790.6153.151.60000111.9E116E116-S118 PolarHBondContact O-N 2.9Å
119K26.2Very low35.9Very low213 Ų213140.6 Ų140.693%0.92678%0.775SS**  trans-159.880.5157.7-115.4168.3-170.6164.80110.2
120S30.5Very low33.5Very low112 Ų112141.4 Ų141.478%0.78378%0.784SS**  trans-132.797.815561.60000108.2
121S29.2Very low31.5Very low112 Ų112144.4 Ų144.478%0.78379%0.787SS**  trans25.3107.1145.155.20000117.6
122D25.5Very low30.4Very low158 Ų158146.8 Ų146.885%0.84579%0.793SS**  trans-45.6139.8153.8-53-66.6000112.5
123E30.4Very low29.6Very low188 Ų188143.2 Ų143.288%0.87978%0.78SS**  -173.2145.1129.9-103.1-177.7-159.800111.1
124I28Very low29.1Very low155 Ų155147.5 Ų147.580%0.79580%0.797SS**SBendtrans10281.2172-48165000116.1
125S28.5Very low28.5Very low113 Ų113150.8 Ų150.879%0.7980%0.804SS**  67.5100121.5-55.80000120.7
126E22.8Very low28.3Very low194 Ų194152.6 Ų152.691%0.90781%0.808SS**  trans-59.2138.7155.6-59.8173.6149.200112.9
127S28.1Very low28.1Very low108 Ų108154 Ų15476%0.75581%0.812SS**  trans-165.6118.813541.10000113.1
128Q31.7Very low28Very low183 Ų183157.6 Ų157.686%0.85582%0.815SS**  trans65.391.6141.7-57.1-176.2-13.100118.2
129L23.1Very low27.9Very low156 Ų156160.3 Ų160.382%0.81782%0.821SS**  48.998.977.9-74.6164.3000116.8
130N28.4Very low28.3Very low152 Ų152156.2 Ų156.281%0.81381%0.809SS**  trans-168.6101131.6-110.5-15.8000109.1
131K25.3Very low28.5Very low162 Ų162156.1 Ų156.170%0.70482%0.815SS**  50.899.191.8-75-175.4-178.8174.50114.3
132N29.2Very low28.8Very low135 Ų135159.4 Ų159.472%0.72282%0.815SS**  167.7114.9106.9-80.1-24.7000112.7
133N26Very low29.5Very low130 Ų130155.5 Ų155.570%0.69581%0.806SS**  47.297.6129.2-50.9-20.5000118.8
134N29.7Very low30Very low174 Ų174155.3 Ų155.393%0.9380%0.804SS**  trans-137.6109.3136.6-90.7-26.2000108.7
135K24.9Very low30.8Very low201 Ų201156.9 Ų156.987%0.87481%0.806SS**  trans-86.2107.3175.5-72.5173.6175.3176.10107.7
136E30.5Very low31.7Very low176 Ų176160.4 Ų160.482%0.82281%0.807SS**  trans-146.6102.7160.2-110.7172.1-172.200110.3
137K30.4Very low33.7Very low198 Ų198162 Ų16286%0.86180%0.804SS**  trans43.283.6141.7-59.3175.1-178.7173.90116.6
138Q28.3Very low35.7Very low195 Ų195163.2 Ų163.291%0.91181%0.807SS**  trans-138.989.7151.8-153.6173.967.500107.7
139I30.3Very low37.5Very low151 Ų151158.4 Ų158.477%0.77479%0.787SS**  trans-91.4111.9175.5-69172000106.6
140D34.5Very low40.2Very low127 Ų127157.9 Ų157.968%0.67978%0.778SS**  trans52.970140.1-50.5-26.9000118.4K142D140-K142 HydrophobicContact CB-CB 4.28Å; D140-K142 PolarHBondContact O-N 3.43Å
141A34.1Very low42.5Very low110 Ų110158 Ų15891%0.90978%0.778SS**  trans-73.856.1144.700000109.5A143A141-A143 PolarHBondContact O-N 2.94Å; A141-A143 VanDerWaalsContact O-N 3.09Å
142K36Very low45.1Very low181 Ų181158.3 Ų158.379%0.78777%0.774SS**  trans-8585.5179.8-163.3170.9-173.5176.10108.4D140 E144D140-K142 HydrophobicContact CB-CB 4.28Å; D140-K142 PolarHBondContact O-N 3.43Å; K142-E144 PolarHBondContact O-N 3.31Å; K142-E144 VanDerWaalsContact O-N 3.14Å
143A39.1Very low47.7Very low77 Ų77154 Ų15464%0.63675%0.752SS**  trans27.776.2154.200000114.8A141 K145A141-A143 PolarHBondContact O-N 2.94Å; A141-A143 VanDerWaalsContact O-N 3.09Å; A143-K145 PolarHBondContact O-N 3Å
144E41.9Very low50.4Low183 Ų183154 Ų15486%0.85574%0.742SS**  trans-64.586.5161.3-154.7166.6-145.800106.7K142 K146K142-E144 PolarHBondContact O-N 3.31Å; K142-E144 VanDerWaalsContact O-N 3.14Å; E144-K146 VanDerWaalsContact C-N 3.27Å; E144-K146 PolarHBondContact O-N 3.47Å
145K43.2Very low52.8Low188 Ų188150.9 Ų150.982%0.81772%0.723SS**  trans-66.194.1175.2-72.5-178-179.2-179.60106.6A143 R147A143-K145 PolarHBondContact O-N 3Å; K145-R147 PolarHBondContact O-N 3.08Å
146K48.2Very low55.4Low187 Ų187145.3 Ų145.381%0.81370%0.696SS**  trans-50.4105.8-180-66176.5179.5-179.80109.3E144 V148E144-K146 VanDerWaalsContact C-N 3.27Å; E144-K146 PolarHBondContact O-N 3.47Å; K146-V148 PolarHBondContact O-N 3.41Å
147R64.3Low57.9Low228 Ų228142.1 Ų142.186%0.8668%0.681SS**  trans-55.4132.6162.1-76.8180173.7153.1-1.3107.1K145 L149K145-R147 PolarHBondContact O-N 3.08Å; R147-L149 VanDerWaalsContact C-N 3.27Å; R147-L149 PolarHBondContact O-N 3.02Å
148V70.1Confident60.3Low134 Ų134135.9 Ų135.981%0.81265%0.654SS**  trans-67.791.2176.4179.80000107.7K146 K150K146-V148 PolarHBondContact O-N 3.41Å; V148-K150 PolarHBondContact O-N 3.3Å
149L69.7Low62.7Low81 Ų81130.4 Ų130.442%0.42463%0.63SS.*  trans-68122.9177.1-71.6163.3000109R147 D153 Y154R147-L149 VanDerWaalsContact C-N 3.27Å; R147-L149 PolarHBondContact O-N 3.02Å; L149-D153 HydrophobicContact CD2-CB 4.27Å; L149-Y154 HydrophobicContact CB-CD2 4.13Å; L149-Y154 HydrophobicContact CB-CE2 3.42Å; L149-Y154 VanDerWaalsContact CB-CE2 3.42Å; L149-Y154 HydrophobicContact CD1-CE1 4.01Å; L149-Y154 HydrophobicContact CD1-CE2 4.17Å; L149-Y154 VanDerWaalsContact CD1-OH 3.3Å; L149-Y154 WeakPolarHBondContact CD1-OH 3.42Å; L149-Y154 HydrophobicContact CG-CE2 4.37Å
150K80.2Confident64.8Low146 Ų146126.8 Ų126.864%0.63561%0.612SS**  trans-84.9155.7172.1-61.7178.5-178.7175.80109.1V148 R152 D153 Y154V148-K150 PolarHBondContact O-N 3.3Å; K150-R152 PolarHBondContact O-N 2.99Å; K150-D153 WeakPolarHBondContact CB-OD2 3.44Å; K150-D153 PolarHBondContact N-OD2 2.91Å; K150-D153 WeakPolarHBondContact O-CA 3.18Å; K150-D153 VanDerWaalsContact O-CB 3.31Å; K150-D153 WeakPolarHBondContact O-CB 3.24Å; K150-D153 PolarHBondContact O-N 3.25Å; K150-Y154 WeakPolarHBondContact O-CD2 3.35Å; K150-Y154 PolarHBondContact O-N 3.38Å
151L76.4Confident66.9Low154 Ų154124.3 Ų124.381%0.80661%0.61SS**Hα-helixtrans-53-33.6177.1-153.281.5000112.8D153 Y154 E155L151-D153 VanDerWaalsContact C-N 3.32Å; L151-Y154 PolarHBondContact O-N 3.23Å; L151-E155 PolarHBondContact O-N 3.47Å; L151-E155 VanDerWaalsContact O-N 3.13Å
152R79.9Confident68.6Low168 Ų168123.2 Ų123.263%0.63459%0.586SS**Hα-helixtrans-70.8-24.5175.2-72.4-77.1158.670.63.6113.8K150 E155 R156K150-R152 PolarHBondContact O-N 2.99Å; R152-E155 IonicContact NE-OE2 3.16Å; R152-R156 WeakPolarHBondContact O-CG 3.35Å; R152-R156 PolarHBondContact O-N 3.3Å; R152-R156 PolarHBondContact O-NE 3.18Å
153D84.3Confident70.4Confident46 Ų46119.2 Ų119.225%0.24657%0.573CS.*Hα-helixtrans-76.6-40.8176-56.7-34.2000110.1L149 K150 L151 R156 E157L149-D153 HydrophobicContact CD2-CB 4.27Å; K150-D153 WeakPolarHBondContact CB-OD2 3.44Å; K150-D153 PolarHBondContact N-OD2 2.91Å; K150-D153 WeakPolarHBondContact O-CA 3.18Å; K150-D153 VanDerWaalsContact O-CB 3.31Å; K150-D153 WeakPolarHBondContact O-CB 3.24Å; K150-D153 PolarHBondContact O-N 3.25Å; L151-D153 VanDerWaalsContact C-N 3.32Å; D153-R156 WeakPolarHBondContact O-CB 3.39Å; D153-R156 PolarHBondContact O-N 3.45Å; D153-R156 IonicContact OD1-CZ 3.82Å; D153-R156 IonicContact OD1-NE 3.86Å; D153-R156 IonicContact OD1-NH2 3.79Å; D153-R156 PolarHBondContact OD1-NH2 3.4Å; D153-E157 WeakPolarHBondContact O-CB 3.39Å; D153-E157 PolarHBondContact O-N 3.24Å
154Y82.7Confident71.7Confident128 Ų128117.3 Ų117.350%0.50256%0.561SS.*Hα-helixtrans-60.7-44.3170.8-74.5-77.1000112.4L149 K150 L151 R156 E157 F158L149-Y154 HydrophobicContact CB-CD2 4.13Å; L149-Y154 HydrophobicContact CB-CE2 3.42Å; L149-Y154 VanDerWaalsContact CB-CE2 3.42Å; L149-Y154 HydrophobicContact CD1-CE1 4.01Å; L149-Y154 HydrophobicContact CD1-CE2 4.17Å; L149-Y154 VanDerWaalsContact CD1-OH 3.3Å; L149-Y154 WeakPolarHBondContact CD1-OH 3.42Å; L149-Y154 HydrophobicContact CG-CE2 4.37Å; K150-Y154 WeakPolarHBondContact O-CD2 3.35Å; K150-Y154 PolarHBondContact O-N 3.38Å; L151-Y154 PolarHBondContact O-N 3.23Å; Y154-R156 PolarHBondContact O-N 3Å; Y154-E157 PolarHBondContact O-N 2.84Å; Y154-F158 WeakPolarHBondContact O-CB 3.35Å; Y154-F158 PolarHBondContact O-N 2.91Å
155E79.2Confident73.2Confident110 Ų110113.4 Ų113.451%0.51455%0.549SS..Hα-helixtrans-62.2-35177.6-169175.5-165.200111.6L151 R152 L159L151-E155 PolarHBondContact O-N 3.47Å; L151-E155 VanDerWaalsContact O-N 3.13Å; R152-E155 IonicContact NE-OE2 3.16Å; E155-L159 VanDerWaalsContact O-CG 3.26Å; E155-L159 WeakPolarHBondContact O-CG 3.5Å; E155-L159 PolarHBondContact O-N 3.12Å; E155-L159 VanDerWaalsContact O-N 3.08Å
156R80.4Confident74.4Confident84 Ų84109.8 Ų109.832%0.31754%0.535SS..Hα-helixtrans-70.9-46.9173.4-84.1-176.5-80.3-105.44112.8R152 D153 Y154 F158 L159 L160R152-R156 WeakPolarHBondContact O-CG 3.35Å; R152-R156 PolarHBondContact O-N 3.3Å; R152-R156 PolarHBondContact O-NE 3.18Å; D153-R156 WeakPolarHBondContact O-CB 3.39Å; D153-R156 PolarHBondContact O-N 3.45Å; D153-R156 IonicContact OD1-CZ 3.82Å; D153-R156 IonicContact OD1-NE 3.86Å; D153-R156 IonicContact OD1-NH2 3.79Å; D153-R156 PolarHBondContact OD1-NH2 3.4Å; Y154-R156 PolarHBondContact O-N 3Å; R156-F158 PolarHBondContact O-N 3.36Å; R156-L159 PolarHBondContact O-N 3.34Å; R156-L160 WeakPolarHBondContact O-CB 3.39Å; R156-L160 WeakPolarHBondContact O-CG 3.45Å; R156-L160 PolarHBondContact O-N 3.2Å
157E83.3Confident75.6Confident109 Ų109105.9 Ų105.951%0.50952%0.523SS..Hα-helixtrans-62.3-38.2177.9-167.1175.3-168.600110.3D153 Y154 L160 A161D153-E157 WeakPolarHBondContact O-CB 3.39Å; D153-E157 PolarHBondContact O-N 3.24Å; Y154-E157 PolarHBondContact O-N 2.84Å; E157-L160 PolarHBondContact O-N 2.85Å; E157-A161 WeakPolarHBondContact O-CB 3.4Å; E157-A161 PolarHBondContact O-N 2.76Å
158F81.2Confident76Confident66 Ų66101.5 Ų101.529%0.28951%0.513SS..Hα-helixtrans-61.5-47.2173.3178.5-100000112.4Y154 R156 L160 Q162 E166Y154-F158 WeakPolarHBondContact O-CB 3.35Å; Y154-F158 PolarHBondContact O-N 2.91Å; R156-F158 PolarHBondContact O-N 3.36Å; F158-L160 VanDerWaalsContact C-N 3.26Å; F158-L160 PolarHBondContact O-N 3.01Å; F158-Q162 VanDerWaalsContact CA-OE1 3.31Å; F158-Q162 HydrophobicContact CD2-CB 4.15Å; F158-Q162 HydrophobicContact CD2-CG 4.31Å; F158-Q162 VanDerWaalsContact CD2-OE1 3.3Å; F158-Q162 HydrophobicContact CE2-CB 3.92Å; F158-Q162 HydrophobicContact CE2-CG 4.16Å; F158-Q162 HydrophobicContact CZ-CB 4.38Å; F158-Q162 WeakPolarHBondContact O-CA 3.38Å; F158-Q162 WeakPolarHBondContact O-CB 3.31Å; F158-Q162 PolarHBondContact O-N 2.95Å; F158-Q162 PolarHBondContact O-OE1 2.99Å; F158-E166 HydrophobicContact CE2-CG 3.93Å; F158-E166 HydrophobicContact CZ-CB 4.42Å; F158-E166 HydrophobicContact CZ-CG 3.46Å; F158-E166 VanDerWaalsContact CZ-CG 3.46Å
159L77.2Confident76.4Confident80 Ų80100 Ų10042%0.41950%0.504SS..Hα-helixtrans-65.5-29.2175.3-72.7169.4000112.9E155 R156 D163E155-L159 VanDerWaalsContact O-CG 3.26Å; E155-L159 WeakPolarHBondContact O-CG 3.5Å; E155-L159 PolarHBondContact O-N 3.12Å; E155-L159 VanDerWaalsContact O-N 3.08Å; R156-L159 PolarHBondContact O-N 3.34Å; L159-D163 VanDerWaalsContact O-CA 3.27Å; L159-D163 WeakPolarHBondContact O-CA 3.39Å; L159-D163 PolarHBondContact O-N 3.29Å
160L74.7Confident76.7Confident75 Ų75100 Ų10039%0.39351%0.507SS..Hα-helixtrans-85.5-39.7-178.9-77.5167.6000113.6A10 R156 E157 F158A10-L160 HydrophobicContact CB-CD1 4.39Å; A10-L160 HydrophobicContact CB-CD2 3.33Å; A10-L160 HydrophobicContact CB-CG 4.34Å; R156-L160 WeakPolarHBondContact O-CB 3.39Å; R156-L160 WeakPolarHBondContact O-CG 3.45Å; R156-L160 PolarHBondContact O-N 3.2Å; E157-L160 PolarHBondContact O-N 2.85Å; F158-L160 VanDerWaalsContact C-N 3.26Å; F158-L160 PolarHBondContact O-N 3.01Å
161A77.9Confident76.3Confident76 Ų7694.8 Ų94.863%0.62849%0.489SS*.Hα-helixtrans-88.3-39.7-176.200000112.1E157E157-A161 WeakPolarHBondContact O-CB 3.4Å; E157-A161 PolarHBondContact O-N 2.76Å
162Q71.8Confident76.4Confident87 Ų8793.1 Ų93.141%0.40748%0.475SS..SBendtrans-103.27.6179.4-71.292.95.600113.7F158 G164 V165F158-Q162 VanDerWaalsContact CA-OE1 3.31Å; F158-Q162 HydrophobicContact CD2-CB 4.15Å; F158-Q162 HydrophobicContact CD2-CG 4.31Å; F158-Q162 VanDerWaalsContact CD2-OE1 3.3Å; F158-Q162 HydrophobicContact CE2-CB 3.92Å; F158-Q162 HydrophobicContact CE2-CG 4.16Å; F158-Q162 HydrophobicContact CZ-CB 4.38Å; F158-Q162 WeakPolarHBondContact O-CA 3.38Å; F158-Q162 WeakPolarHBondContact O-CB 3.31Å; F158-Q162 PolarHBondContact O-N 2.95Å; F158-Q162 PolarHBondContact O-OE1 2.99Å; Q162-G164 PolarHBondContact O-N 3.15Å; Q162-V165 PolarHBondContact O-N 3.14Å
163D72.8Confident76.4Confident97 Ų9791.1 Ų91.152%0.51947%0.473SS..THydrogen-bonded Turntrans54.120179.4-135.420.3000113.2L159L159-D163 VanDerWaalsContact O-CA 3.27Å; L159-D163 WeakPolarHBondContact O-CA 3.39Å; L159-D163 PolarHBondContact O-N 3.29Å
164G66.4Low76.1Confident36 Ų3691.4 Ų91.437%0.37148%0.482SS..THydrogen-bonded Turntrans77.911.8-175.800000116.4Q162Q162-G164 PolarHBondContact O-N 3.15Å
165V73Confident75.9Confident102 Ų10291.1 Ų91.162%0.61849%0.485SS*.  trans-111.3114.2177.1-177.30000109.4Q162 D167Q162-V165 PolarHBondContact O-N 3.14Å; V165-D167 PolarHBondContact O-N 2.94Å
166E69.1Low75.8Confident111 Ų11192.4 Ų92.452%0.51949%0.489SS..  trans-67.9128.9171.4-68.8-175.6172.900110.1F158 E168 S171F158-E166 HydrophobicContact CE2-CG 3.93Å; F158-E166 HydrophobicContact CZ-CB 4.42Å; F158-E166 HydrophobicContact CZ-CG 3.46Å; F158-E166 VanDerWaalsContact CZ-CG 3.46Å; E166-E168 PolarHBondContact O-N 2.84Å; E166-S171 PolarHBondContact OE2-OG 2.89Å; E166-S171 VanDerWaalsContact OE2-OG 3.04Å
167D73.2Confident75.5Confident105 Ų10592.5 Ų92.556%0.56150%0.495SS*.  trans-60135.6170.5-78.5-33.7000110.5V165 T169 V170 S171V165-D167 PolarHBondContact O-N 2.94Å; D167-T169 PolarHBondContact O-N 3.15Å; D167-V170 HydrophobicContact CB-CG2 4.33Å; D167-V170 PolarHBondContact O-N 2.93Å; D167-S171 PolarHBondContact O-N 3.24Å; D167-S171 VanDerWaalsContact O-N 3.09Å
168E72.7Confident74.9Confident137 Ų13790.1 Ų90.164%0.6449%0.494SS*.Hα-helixtrans-51.8-26.1179.3-85.7-92.2156.300113.6E166 K172E166-E168 PolarHBondContact O-N 2.84Å; E168-K172 WeakPolarHBondContact O-CB 3.48Å; E168-K172 VanDerWaalsContact O-CD 3.25Å; E168-K172 WeakPolarHBondContact O-CD 3.15Å; E168-K172 WeakPolarHBondContact O-CG 3.29Å; E168-K172 PolarHBondContact O-N 3.3Å; E168-K172 VanDerWaalsContact OE2-CE 3.24Å; E168-K172 WeakPolarHBondContact OE2-CE 3.11Å; E168-K172 IonicContact OE2-NZ 2.79Å; E168-K172 PolarHBondContact OE2-NZ 3.32Å
169T78.1Confident74.4Confident102 Ų10292.9 Ų92.963%0.62651%0.508SS*.Hα-helixtrans-74-46.4177.548.60000112D167 K172 E173D167-T169 PolarHBondContact O-N 3.15Å; T169-K172 PolarHBondContact O-N 3.13Å; T169-E173 PolarHBondContact O-N 2.89Å
170V75.7Confident73.6Confident82 Ų8294.5 Ų94.550%0.49751%0.514SS..Hα-helixtrans-68-40.8179.6-176.70000110.3D167 K172 E173 A174D167-V170 HydrophobicContact CB-CG2 4.33Å; D167-V170 PolarHBondContact O-N 2.93Å; V170-K172 VanDerWaalsContact C-N 3.3Å; V170-K172 PolarHBondContact O-N 3.21Å; V170-E173 PolarHBondContact O-N 2.77Å; V170-E173 VanDerWaalsContact O-N 3.16Å; V170-A174 WeakPolarHBondContact O-CB 3.38Å; V170-A174 PolarHBondContact O-N 2.96Å
171S73.2Confident73Confident35 Ų3597.5 Ų97.525%0.24553%0.527CS..Hα-helixtrans-65-35178.6-143.90000111.9E166 D167 Q175E166-S171 PolarHBondContact OE2-OG 2.89Å; E166-S171 VanDerWaalsContact OE2-OG 3.04Å; D167-S171 PolarHBondContact O-N 3.24Å; D167-S171 VanDerWaalsContact O-N 3.09Å; S171-Q175 WeakPolarHBondContact O-CG 3.49Å; S171-Q175 PolarHBondContact O-N 2.81Å
172K77.4Confident72.4Confident120 Ų12096.5 Ų96.552%0.52252%0.515SS..Hα-helixtrans-69.9-37.5172.5-75.2168.4-169.5150.60112.6E168 T169 V170 Q175 K176E168-K172 WeakPolarHBondContact O-CB 3.48Å; E168-K172 VanDerWaalsContact O-CD 3.25Å; E168-K172 WeakPolarHBondContact O-CD 3.15Å; E168-K172 WeakPolarHBondContact O-CG 3.29Å; E168-K172 PolarHBondContact O-N 3.3Å; E168-K172 VanDerWaalsContact OE2-CE 3.24Å; E168-K172 WeakPolarHBondContact OE2-CE 3.11Å; E168-K172 IonicContact OE2-NZ 2.79Å; E168-K172 PolarHBondContact OE2-NZ 3.32Å; T169-K172 PolarHBondContact O-N 3.13Å; V170-K172 VanDerWaalsContact C-N 3.3Å; V170-K172 PolarHBondContact O-N 3.21Å; K172-Q175 PolarHBondContact O-N 3.1Å; K172-K176 WeakPolarHBondContact O-CB 3.49Å; K172-K176 PolarHBondContact O-N 3.39Å
173E80.5Confident71.8Confident125 Ų12596.9 Ų96.958%0.58452%0.52SS*.Hα-helixtrans-67.2-42.6176.2-171.4163.2-160.200111.6T169 V170 Q175 K176 I177T169-E173 PolarHBondContact O-N 2.89Å; V170-E173 PolarHBondContact O-N 2.77Å; V170-E173 VanDerWaalsContact O-N 3.16Å; E173-Q175 PolarHBondContact O-N 3.49Å; E173-K176 WeakPolarHBondContact O-CB 3.22Å; E173-K176 PolarHBondContact O-N 2.97Å; E173-K176 VanDerWaalsContact O-N 3.12Å; E173-I177 HydrophobicContact CG-CD1 4.27Å; E173-I177 WeakPolarHBondContact O-CG1 3.46Å; E173-I177 PolarHBondContact O-N 3.28Å
174A78.2Confident71.5Confident53 Ų5396.7 Ų96.744%0.43852%0.519SS..Hα-helixtrans-60.8-42.1173.300000112.2V170 K176 I177 A178V170-A174 WeakPolarHBondContact O-CB 3.38Å; V170-A174 PolarHBondContact O-N 2.96Å; A174-K176 VanDerWaalsContact C-N 3.33Å; A174-K176 PolarHBondContact O-N 3.37Å; A174-I177 PolarHBondContact O-N 3.49Å; A174-A178 WeakPolarHBondContact O-CB 3.43Å; A174-A178 PolarHBondContact O-N 2.81Å
175Q78.2Confident71.6Confident121 Ų12199.1 Ų99.157%0.56553%0.526SS*.Hα-helixtrans-63-38.5172.8-75.2178.413.600112.4S171 K172 E173 A178 Q179S171-Q175 WeakPolarHBondContact O-CG 3.49Å; S171-Q175 PolarHBondContact O-N 2.81Å; K172-Q175 PolarHBondContact O-N 3.1Å; E173-Q175 PolarHBondContact O-N 3.49Å; Q175-A178 PolarHBondContact O-N 3.28Å; Q175-Q179 WeakPolarHBondContact O-CG 3.11Å; Q175-Q179 PolarHBondContact O-N 2.84Å
176K77.1Confident70.7Confident137 Ų13799.5 Ų99.560%0.59652%0.524SS*.Hα-helixtrans-65.9-41.6177.6-171.1-177.4-179.9-173.60111.9K172 E173 A174 Q179 M180K172-K176 WeakPolarHBondContact O-CB 3.49Å; K172-K176 PolarHBondContact O-N 3.39Å; E173-K176 WeakPolarHBondContact O-CB 3.22Å; E173-K176 PolarHBondContact O-N 2.97Å; E173-K176 VanDerWaalsContact O-N 3.12Å; A174-K176 VanDerWaalsContact C-N 3.33Å; A174-K176 PolarHBondContact O-N 3.37Å; K176-Q179 PolarHBondContact O-N 2.71Å; K176-M180 HydrophobicContact CG-SD 4.45Å; K176-M180 WeakPolarHBondContact O-CG 3.37Å; K176-M180 PolarHBondContact O-N 2.92Å
177I73.6Confident70.5Confident86 Ų86101.1 Ų101.144%0.44153%0.529SS..Hα-helixtrans-63.3-46.4175.6-66164.7000110E173 A174 Q179 M180 E181E173-I177 HydrophobicContact CG-CD1 4.27Å; E173-I177 WeakPolarHBondContact O-CG1 3.46Å; E173-I177 PolarHBondContact O-N 3.28Å; A174-I177 PolarHBondContact O-N 3.49Å; I177-Q179 VanDerWaalsContact C-N 3.3Å; I177-Q179 PolarHBondContact O-N 2.99Å; I177-M180 PolarHBondContact O-N 3.2Å; I177-E181 PolarHBondContact O-N 3.48Å; I177-E181 VanDerWaalsContact O-N 3.1Å
178A70.7Confident70Confident60 Ų60102.4 Ų102.450%0.49653%0.53SS..Hα-helixtrans-60.8-36.6178.700000113.2A174 Q175A174-A178 WeakPolarHBondContact O-CB 3.43Å; A174-A178 PolarHBondContact O-N 2.81Å; Q175-A178 PolarHBondContact O-N 3.28Å
179Q71Confident68.9Low124 Ų124102.5 Ų102.558%0.57953%0.532SS*.Hα-helixtrans-72.8-37.2175.1-73.2-178.61.200112.8Q175 K176 I177 E181 S182 D183Q175-Q179 WeakPolarHBondContact O-CG 3.11Å; Q175-Q179 PolarHBondContact O-N 2.84Å; K176-Q179 PolarHBondContact O-N 2.71Å; I177-Q179 VanDerWaalsContact C-N 3.3Å; I177-Q179 PolarHBondContact O-N 2.99Å; Q179-E181 VanDerWaalsContact C-N 3.35Å; Q179-E181 PolarHBondContact O-N 2.97Å; Q179-S182 PolarHBondContact O-N 3.46Å; Q179-S182 PolarHBondContact O-OG 3.24Å; Q179-D183 PolarHBondContact O-N 3.3Å
180M59.9Low67.9Low113 Ų113102 Ų10256%0.55753%0.529SS*.Hα-helixtrans-64.7-38.7177.7-82.2174.651.400112.3K176 I177 D184K176-M180 HydrophobicContact CG-SD 4.45Å; K176-M180 WeakPolarHBondContact O-CG 3.37Å; K176-M180 PolarHBondContact O-N 2.92Å; I177-M180 PolarHBondContact O-N 3.2Å; M180-D184 PolarHBondContact O-N 3.43Å
181E62.1Low67Low139 Ų139103 Ų10365%0.6554%0.535SS*.Hα-helixtrans-69.2-32.4179.6-70.1-178173.200113I177 Q179 V185I177-E181 PolarHBondContact O-N 3.48Å; I177-E181 VanDerWaalsContact O-N 3.1Å; Q179-E181 VanDerWaalsContact C-N 3.35Å; Q179-E181 PolarHBondContact O-N 2.97Å; E181-V185 WeakPolarHBondContact O-CG2 3.46Å
182S65.5Low65.8Low55 Ų55107.9 Ų107.939%0.38555%0.554SS.*Hα-helixtrans-74.1-40.8177.560.60000112.8Q179 L186Q179-S182 PolarHBondContact O-N 3.46Å; Q179-S182 PolarHBondContact O-OG 3.24Å; S182-L186 WeakPolarHBondContact O-CD1 3.34Å; S182-L186 WeakPolarHBondContact O-CG 3.45Å; S182-L186 PolarHBondContact O-N 3.16Å
183D59.8Low64.6Low95 Ų95106.6 Ų106.651%0.50856%0.561SS.*Hα-helixtrans-82-37.5-165.8-71.24000112.7Q179 V185 L186 K187Q179-D183 PolarHBondContact O-N 3.3Å; D183-V185 VanDerWaalsContact C-N 3.33Å; D183-V185 PolarHBondContact O-N 3.18Å; D183-L186 PolarHBondContact O-N 3.28Å; D183-K187 WeakPolarHBondContact O-CB 3.35Å; D183-K187 PolarHBondContact O-N 3.02Å
184D66.9Low63.2Low93 Ų93105.8 Ų105.850%0.49756%0.559SS.*Hα-helixtrans-69-30.6-179.8-91.1-3.9000112.7M180 K188M180-D184 PolarHBondContact O-N 3.43Å; D184-K188 WeakPolarHBondContact O-CD 3.5Å; D184-K188 WeakPolarHBondContact O-CG 3.15Å; D184-K188 PolarHBondContact O-N 2.65Å
185V67.5Low62Low86 Ų86108 Ų10852%0.52156%0.563SS.*Hα-helixtrans-73.4-43.9175.8178.10000110.5E181 D183 K188 M189E181-V185 WeakPolarHBondContact O-CG2 3.46Å; D183-V185 VanDerWaalsContact C-N 3.33Å; D183-V185 PolarHBondContact O-N 3.18Å; V185-K188 PolarHBondContact O-N 3.01Å; V185-M189 PolarHBondContact O-N 3.21Å
186L54Low61.4Low111 Ų111107.9 Ų107.958%0.58157%0.566SS**Hα-helixtrans-62.6-42.8177-80.8163.1000111.8S182 D183 K188 M189 T190S182-L186 WeakPolarHBondContact O-CD1 3.34Å; S182-L186 WeakPolarHBondContact O-CG 3.45Å; S182-L186 PolarHBondContact O-N 3.16Å; D183-L186 PolarHBondContact O-N 3.28Å; L186-K188 PolarHBondContact O-N 3.07Å; L186-M189 PolarHBondContact O-N 3.15Å; L186-T190 WeakPolarHBondContact O-CG2 3.45Å; L186-T190 PolarHBondContact O-N 2.85Å; L186-T190 PolarHBondContact O-OG1 2.89Å
187K65.2Low61Low145 Ų145104.4 Ų104.463%0.6356%0.559SS**Hα-helixtrans-63.4-41.1179.3-123.1177.7-175.2175.80112.9D183 M189 T190 T191D183-K187 WeakPolarHBondContact O-CB 3.35Å; D183-K187 PolarHBondContact O-N 3.02Å; K187-M189 VanDerWaalsContact C-N 3.33Å; K187-M189 PolarHBondContact O-N 3.39Å; K187-T190 PolarHBondContact O-N 2.91Å; K187-T190 PolarHBondContact O-OG1 3.04Å; K187-T191 PolarHBondContact O-N 3.41Å; K187-T191 PolarHBondContact O-OG1 3.08Å
188K62.4Low61Low132 Ų132106.2 Ų106.257%0.57456%0.564SS**Hα-helixtrans-65-37.7178.3-70.8169.9-169.4174.60111.7D184 V185 L186D184-K188 WeakPolarHBondContact O-CD 3.5Å; D184-K188 WeakPolarHBondContact O-CG 3.15Å; D184-K188 PolarHBondContact O-N 2.65Å; V185-K188 PolarHBondContact O-N 3.01Å; L186-K188 PolarHBondContact O-N 3.07Å
189M50.1Low61.3Low139 Ų139108.7 Ų108.769%0.68557%0.565SS**Hα-helixtrans-70.7-35.3175.7-69.3-140.8173.800113.2V185 L186 K187V185-M189 PolarHBondContact O-N 3.21Å; L186-M189 PolarHBondContact O-N 3.15Å; K187-M189 VanDerWaalsContact C-N 3.33Å; K187-M189 PolarHBondContact O-N 3.39Å
190T57.2Low61.9Low90 Ų90109 Ų10955%0.55257%0.566SS**Hα-helixtrans-78.7-14.8-178.556.40000115.3L186 K187L186-T190 WeakPolarHBondContact O-CG2 3.45Å; L186-T190 PolarHBondContact O-N 2.85Å; L186-T190 PolarHBondContact O-OG1 2.89Å; K187-T190 PolarHBondContact O-N 2.91Å; K187-T190 PolarHBondContact O-OG1 3.04Å
191T56.8Low63.2Low104 Ų104110.4 Ų110.464%0.63857%0.57SS**Hα-helixtrans-113-7.7-171.552.50000115.1K187K187-T191 PolarHBondContact O-N 3.41Å; K187-T191 PolarHBondContact O-OG1 3.08Å
192Q47.7Very low64.1Low137 Ų137107.6 Ų107.664%0.6456%0.559SS**SBendtrans-120.9105.4-174.3-61.6-173.2-3.200111.6I194Q192-I194 PolarHBondContact O-N 3.25Å
193S52.8Low64.9Low94 Ų94110.5 Ų110.566%0.65757%0.566SS**SBendtrans74.1-9.5150.5-45.70000120S197S193-S197 PolarHBondContact O-OG 3.23Å
194I51.2Low66.1Low108 Ų108112.4 Ų112.455%0.55457%0.572SS**Hα-helixtrans-83.1-35.3178.1-58173.2000111.8Q192 S197 K198Q192-I194 PolarHBondContact O-N 3.25Å; I194-S197 PolarHBondContact O-OG 3.01Å; I194-K198 WeakPolarHBondContact O-CB 3.42Å; I194-K198 PolarHBondContact O-N 3.22Å
195D53.2Low67.1Low98 Ų98110.2 Ų110.252%0.52457%0.567SS.*Hα-helixtrans-73.4-37.4-177.9-68.7-26.6000112.8K198 E199D195-K198 PolarHBondContact O-N 3.4Å; D195-E199 WeakPolarHBondContact O-CB 3.34Å; D195-E199 VanDerWaalsContact O-CG 3.31Å; D195-E199 WeakPolarHBondContact O-CG 3.47Å; D195-E199 PolarHBondContact O-N 2.96Å
196L64.9Low67.9Low119 Ų119110.4 Ų110.462%0.62357%0.565SS**Hα-helixtrans-67.3-40.5176.7-69.3171000112.2Q200L196-Q200 VanDerWaalsContact O-CB 3.28Å; L196-Q200 WeakPolarHBondContact O-CB 3.46Å; L196-Q200 VanDerWaalsContact O-CG 3.23Å; L196-Q200 WeakPolarHBondContact O-CG 3.31Å; L196-Q200 PolarHBondContact O-N 3.08Å
197S68.5Low69.3Low64 Ų64110.7 Ų110.745%0.44856%0.563SS.*Hα-helixtrans-69.6-38.4176.953.20000111.4S193 I194 F201S193-S197 PolarHBondContact O-OG 3.23Å; I194-S197 PolarHBondContact O-OG 3.01Å; S197-F201 VanDerWaalsContact O-CB 3.24Å; S197-F201 WeakPolarHBondContact O-CB 3.49Å; S197-F201 PolarHBondContact O-N 3.29Å
198K73.1Confident70.2Confident125 Ų125106.4 Ų106.454%0.54356%0.555SS.*Hα-helixtrans-64.7-44173.7-177.5180175.6-171.70112.1I194 D195 F201 I202I194-K198 WeakPolarHBondContact O-CB 3.42Å; I194-K198 PolarHBondContact O-N 3.22Å; D195-K198 PolarHBondContact O-N 3.4Å; K198-F201 PolarHBondContact O-N 3.35Å; K198-I202 HydrophobicContact CG-CD1 3.97Å; K198-I202 WeakPolarHBondContact O-CD1 3.38Å; K198-I202 WeakPolarHBondContact O-CG1 3.5Å; K198-I202 PolarHBondContact O-N 3.46Å
199E77.9Confident71.1Confident111 Ų111105.6 Ų105.652%0.51956%0.556SS.*Hα-helixtrans-67.3-42.3177.4-76.1-175.9174.500112D195 F201 I202 Q203D195-E199 WeakPolarHBondContact O-CB 3.34Å; D195-E199 VanDerWaalsContact O-CG 3.31Å; D195-E199 WeakPolarHBondContact O-CG 3.47Å; D195-E199 PolarHBondContact O-N 2.96Å; E199-F201 VanDerWaalsContact C-N 3.35Å; E199-F201 PolarHBondContact O-N 2.92Å; E199-I202 PolarHBondContact O-N 3.35Å; E199-Q203 WeakPolarHBondContact O-CG 3.44Å; E199-Q203 PolarHBondContact O-N 3.13Å
200Q82.2Confident72.4Confident130 Ų130103.7 Ų103.761%0.60755%0.549SS*.Hα-helixtrans-60.8-44173.8-78.6176.9-15.900111.6L196 I202 Q203 E204L196-Q200 VanDerWaalsContact O-CB 3.28Å; L196-Q200 WeakPolarHBondContact O-CB 3.46Å; L196-Q200 VanDerWaalsContact O-CG 3.23Å; L196-Q200 WeakPolarHBondContact O-CG 3.31Å; L196-Q200 PolarHBondContact O-N 3.08Å; Q200-I202 PolarHBondContact O-N 2.88Å; Q200-Q203 PolarHBondContact O-N 3.17Å; Q200-E204 WeakPolarHBondContact O-CB 3.3Å; Q200-E204 PolarHBondContact O-N 3.15Å
201F88.1Confident73.3Confident143 Ų143105.7 Ų105.763%0.62755%0.552SS**Hα-helixtrans-62.5-41.3176.3179.7-101.9000112.3S197 K198 E199 Q203 E204 A205S197-F201 VanDerWaalsContact O-CB 3.24Å; S197-F201 WeakPolarHBondContact O-CB 3.49Å; S197-F201 PolarHBondContact O-N 3.29Å; K198-F201 PolarHBondContact O-N 3.35Å; E199-F201 VanDerWaalsContact C-N 3.35Å; E199-F201 PolarHBondContact O-N 2.92Å; F201-Q203 VanDerWaalsContact C-N 3.34Å; F201-E204 PolarHBondContact O-N 3.33Å; F201-A205 VanDerWaalsContact O-CB 3.29Å; F201-A205 WeakPolarHBondContact O-CB 3.48Å; F201-A205 PolarHBondContact O-N 3.23Å
202I81.3Confident73.8Confident81 Ų81103.8 Ų103.842%0.41555%0.547SS..Hα-helixtrans-66-37.6176.5-68.5164.9000111.1K198 E199 Q200 N206K198-I202 HydrophobicContact CG-CD1 3.97Å; K198-I202 WeakPolarHBondContact O-CD1 3.38Å; K198-I202 WeakPolarHBondContact O-CG1 3.5Å; K198-I202 PolarHBondContact O-N 3.46Å; E199-I202 PolarHBondContact O-N 3.35Å; Q200-I202 PolarHBondContact O-N 2.88Å; I202-N206 WeakPolarHBondContact O-CB 3.41Å; I202-N206 PolarHBondContact O-N 2.89Å; I202-N206 VanDerWaalsContact O-N 3.12Å; I202-N206 PolarHBondContact O-ND2 2.88Å
203Q82.9Confident74.4Confident116 Ų11699.6 Ų99.654%0.54254%0.536SS..Hα-helixtrans-67-47.8176.1-73.2174.711.900111.4E199 Q200 F201 A205 N206 E207E199-Q203 WeakPolarHBondContact O-CG 3.44Å; E199-Q203 PolarHBondContact O-N 3.13Å; Q200-Q203 PolarHBondContact O-N 3.17Å; F201-Q203 VanDerWaalsContact C-N 3.34Å; Q203-A205 VanDerWaalsContact C-N 3.34Å; Q203-A205 PolarHBondContact O-N 3.29Å; Q203-N206 PolarHBondContact O-N 3.12Å; Q203-E207 WeakPolarHBondContact O-CG 3.41Å; Q203-E207 PolarHBondContact O-N 3.19Å
204E85.1Confident74.6Confident134 Ų13499.8 Ų99.863%0.62653%0.533SS*.Hα-helixtrans-61-41.4177.8-173.7174.4-174.500111.9Q200 F201 N206 E207 A208Q200-E204 WeakPolarHBondContact O-CB 3.3Å; Q200-E204 PolarHBondContact O-N 3.15Å; F201-E204 PolarHBondContact O-N 3.33Å; E204-N206 PolarHBondContact O-N 2.89Å; E204-E207 PolarHBondContact O-N 3.13Å; E204-A208 WeakPolarHBondContact O-CB 3.34Å; E204-A208 PolarHBondContact O-N 2.94Å
205A86.1Confident74.9Confident48 Ų48100 Ų10040%0.39754%0.539SS..Hα-helixtrans-64.2-39.9176.100000112.6F201 Q203 L209F201-A205 VanDerWaalsContact O-CB 3.29Å; F201-A205 WeakPolarHBondContact O-CB 3.48Å; F201-A205 PolarHBondContact O-N 3.23Å; Q203-A205 VanDerWaalsContact C-N 3.34Å; Q203-A205 PolarHBondContact O-N 3.29Å; A205-L209 WeakPolarHBondContact O-CB 3.39Å; A205-L209 PolarHBondContact O-N 2.93Å; A205-L209 VanDerWaalsContact O-N 3.07Å
206N84.8Confident74.8Confident90 Ų9099.7 Ų99.748%0.48155%0.545SS..Hα-helixtrans-70.7-37.9177.3-78.6-29.1000112.2I202 Q203 E204 L209 N210I202-N206 WeakPolarHBondContact O-CB 3.41Å; I202-N206 PolarHBondContact O-N 2.89Å; I202-N206 VanDerWaalsContact O-N 3.12Å; I202-N206 PolarHBondContact O-ND2 2.88Å; Q203-N206 PolarHBondContact O-N 3.12Å; E204-N206 PolarHBondContact O-N 2.89Å; N206-L209 PolarHBondContact O-N 2.79Å; N206-N210 VanDerWaalsContact O-CG 3.26Å; N206-N210 PolarHBondContact O-N 3.09Å; N206-N210 PolarHBondContact O-ND2 3.18Å
207E83.6Confident73.7Confident116 Ų116100.4 Ų100.454%0.54255%0.549SS..Hα-helixtrans-66-42.3174.9-73.9-178.8-177.600111.7Q203 E204 L209 N210 Q211Q203-E207 WeakPolarHBondContact O-CG 3.41Å; Q203-E207 PolarHBondContact O-N 3.19Å; E204-E207 PolarHBondContact O-N 3.13Å; E207-L209 VanDerWaalsContact C-N 3.31Å; E207-L209 PolarHBondContact O-N 2.55Å; E207-N210 PolarHBondContact O-N 3.06Å; E207-Q211 WeakPolarHBondContact O-CB 3.21Å; E207-Q211 VanDerWaalsContact O-CG 3.32Å; E207-Q211 WeakPolarHBondContact O-CG 3.49Å; E207-Q211 PolarHBondContact O-N 3.06Å
208A85.3Confident72.2Confident55 Ų55105.7 Ų105.746%0.45557%0.567SS.*Hα-helixtrans-60.2-40.6173.900000112E204 Q211 A212E204-A208 WeakPolarHBondContact O-CB 3.34Å; E204-A208 PolarHBondContact O-N 2.94Å; A208-Q211 PolarHBondContact O-N 3.48Å; A208-A212 WeakPolarHBondContact O-CB 3.34Å; A208-A212 PolarHBondContact O-N 3Å
209L80.5Confident70.5Confident115 Ų115108.6 Ų108.660%0.60258%0.584SS**Hα-helixtrans-65.1-42.4176.4-164.8156.6000111.5A205 N206 E207 A212 A213A205-L209 WeakPolarHBondContact O-CB 3.39Å; A205-L209 PolarHBondContact O-N 2.93Å; A205-L209 VanDerWaalsContact O-N 3.07Å; N206-L209 PolarHBondContact O-N 2.79Å; E207-L209 VanDerWaalsContact C-N 3.31Å; E207-L209 PolarHBondContact O-N 2.55Å; L209-A212 PolarHBondContact O-N 2.79Å; L209-A213 PolarHBondContact O-N 2.73Å; L209-A213 VanDerWaalsContact O-N 3.07Å
210N77.9Confident68.3Low100 Ų100111.9 Ų111.954%0.53560%0.597SS.*Hα-helixtrans-69.1-37.6177.7-70.2-23.8000112.4N206 E207 A212 A213 V214N206-N210 VanDerWaalsContact O-CG 3.26Å; N206-N210 PolarHBondContact O-N 3.09Å; N206-N210 PolarHBondContact O-ND2 3.18Å; E207-N210 PolarHBondContact O-N 3.06Å; N210-A212 VanDerWaalsContact C-N 3.34Å; N210-A213 PolarHBondContact O-N 3.05Å; N210-V214 WeakPolarHBondContact O-CG2 3.35Å; N210-V214 PolarHBondContact O-N 2.97Å
211Q74.5Confident66Low131 Ų131113.2 Ų113.261%0.61261%0.608SS**Hα-helixtrans-63.8-40.7174.3-73178.84100111.4E207 A208 A213 V214 T215E207-Q211 WeakPolarHBondContact O-CB 3.21Å; E207-Q211 VanDerWaalsContact O-CG 3.32Å; E207-Q211 WeakPolarHBondContact O-CG 3.49Å; E207-Q211 PolarHBondContact O-N 3.06Å; A208-Q211 PolarHBondContact O-N 3.48Å; Q211-A213 VanDerWaalsContact C-N 3.28Å; Q211-A213 PolarHBondContact O-N 3Å; Q211-V214 PolarHBondContact O-N 3.03Å; Q211-T215 WeakPolarHBondContact O-CG2 3.29Å; Q211-T215 PolarHBondContact O-N 3.27Å; Q211-T215 VanDerWaalsContact O-N 3.08Å; Q211-T215 PolarHBondContact O-OG1 2.93Å
212A67.4Low63.3Low64 Ų64113 Ų11353%0.52961%0.614SS.*Hα-helixtrans-65.1-30.2174.100000113A208 L209 N210 T215A208-A212 WeakPolarHBondContact O-CB 3.34Å; A208-A212 PolarHBondContact O-N 3Å; L209-A212 PolarHBondContact O-N 2.79Å; N210-A212 VanDerWaalsContact C-N 3.34Å; A212-T215 PolarHBondContact O-OG1 3.15Å; A212-T215 VanDerWaalsContact O-OG1 3.12Å
213A60.9Low60.8Low50 Ų50118.8 Ų118.841%0.41363%0.63SS.*Hα-helixtrans-71.4-44.7173.600000111.7L209 N210 Q211 T215 S216L209-A213 PolarHBondContact O-N 2.73Å; L209-A213 VanDerWaalsContact O-N 3.07Å; N210-A213 PolarHBondContact O-N 3.05Å; Q211-A213 VanDerWaalsContact C-N 3.28Å; Q211-A213 PolarHBondContact O-N 3Å; A213-T215 PolarHBondContact O-N 2.66Å; A213-S216 PolarHBondContact O-N 3.03Å; A213-S216 PolarHBondContact O-OG 3.28Å
214V58Low58.4Low97 Ų97120.7 Ų120.759%0.58864%0.644SS**Hα-helixtrans-68.5-33.7-177.9176.50000112.3N210 Q211 S216 D217N210-V214 WeakPolarHBondContact O-CG2 3.35Å; N210-V214 PolarHBondContact O-N 2.97Å; Q211-V214 PolarHBondContact O-N 3.03Å; V214-S216 PolarHBondContact O-N 3.03Å; V214-S216 VanDerWaalsContact O-N 3.08Å; V214-D217 PolarHBondContact O-N 3.01Å
215T55.7Low55.9Low112 Ų112119.7 Ų119.769%0.68765%0.652SS**THydrogen-bonded Turntrans-65.3-12.8175.954.40000113.6Q211 A212 A213Q211-T215 WeakPolarHBondContact O-CG2 3.29Å; Q211-T215 PolarHBondContact O-N 3.27Å; Q211-T215 VanDerWaalsContact O-N 3.08Å; Q211-T215 PolarHBondContact O-OG1 2.93Å; A212-T215 PolarHBondContact O-OG1 3.15Å; A212-T215 VanDerWaalsContact O-OG1 3.12Å; A213-T215 PolarHBondContact O-N 2.66Å
216S51.4Low53.4Low92 Ų92125.9 Ų125.964%0.64368%0.678SS**THydrogen-bonded Turntrans-90.2-8.3176.759.90000115.3A213 V214A213-S216 PolarHBondContact O-N 3.03Å; A213-S216 PolarHBondContact O-OG 3.28Å; V214-S216 PolarHBondContact O-N 3.03Å; V214-S216 VanDerWaalsContact O-N 3.08Å
217D43Very low51.2Low134 Ų134125.4 Ų125.472%0.71768%0.682SS**THydrogen-bonded Turntrans-104.2-11.4-176-108.8-17.7000115.6V214V214-D217 PolarHBondContact O-N 3.01Å
218E37.1Very low48.8Very low175 Ų175126.9 Ų126.982%0.81869%0.694SS**SBendtrans-104.54.9-175-71.1-158.915400116.8
219M36.2Very low46.7Very low186 Ų186130.9 Ų130.992%0.91671%0.708SS**  trans-114.568.8172.3-65.4-164.9-176.900111.9
220K32.5Very low45.1Very low180 Ų180130.9 Ų130.978%0.78371%0.708SS**  trans-72.1140.1153.1-77.2176.2179.3166.50108.6
221D33.4Very low43.6Very low159 Ų159132.5 Ų132.585%0.8572%0.717SS**  trans84.867.4168.6-50.7-21.7000117.8
222N32Very low42.2Very low137 Ų137132.6 Ų132.673%0.73372%0.721SS**  -156.7133.4127.9-139.3-5.6000114.8
223R29.5Very low41.3Very low203 Ų203134.3 Ų134.377%0.76672%0.721SS**  trans-40.2140.1174.6-69.9159.6-83.8-163.8-8.7116.3
224N31.1Very low40.7Very low156 Ų156139.6 Ų139.683%0.83474%0.735SS**  trans6388.5144.5-55.6-13.7000118
225S34.1Very low39.9Very low113 Ų113141.9 Ų141.979%0.7974%0.743SS**  trans-164.187.4152.8168.60000109.3S227S225-S227 PolarHBondContact O-N 2.91Å; S225-S227 VanDerWaalsContact O-N 3.13Å
226D31.7Very low39.5Very low178 Ų178146.9 Ų146.995%0.95275%0.75SS**  trans-58.8103.9165.9-97-35.5000109.5
227S39.2Very low39Very low81 Ų81151.9 Ų151.957%0.56676%0.76SS**  trans-161.5107165.4-1500000111.4S225S225-S227 PolarHBondContact O-N 2.91Å; S225-S227 VanDerWaalsContact O-N 3.13Å
228N33Very low38.7Very low146 Ų146155.4 Ų155.478%0.78176%0.763SS**  trans62.865.4143.8-52.5-27.9000119.6
229N42.3Very low38.6Very low139 Ų139156.6 Ų156.674%0.74377%0.766SS**  trans-133.223.8169.8-101.8-32.3000115.6
230D45.8Very low38.6Very low115 Ų115153.1 Ų153.162%0.61576%0.76SS**G310 helixtrans-88.3-4.2-179.5-76.8-35.6000115.3L232 N233D230-L232 PolarHBondContact O-N 2.53Å; D230-L232 VanDerWaalsContact O-N 3.14Å; D230-N233 PolarHBondContact O-N 3.08Å
231D46.7Very low39Very low134 Ų134152.1 Ų152.172%0.71776%0.758SS**G310 helixtrans-71.3-11.6-174.2-68.7-16.1000113.7
232L45.6Very low39Very low134 Ų134153.2 Ų153.270%0.70276%0.762SS**G310 helixtrans-99.6-6.3-175.3-73.9-68.7000113.1D230 F234D230-L232 PolarHBondContact O-N 2.53Å; D230-L232 VanDerWaalsContact O-N 3.14Å; L232-F234 VanDerWaalsContact C-N 3.29Å; L232-F234 PolarHBondContact O-N 3.17Å
233N48.3Very low39.4Very low100 Ų100154.4 Ų154.454%0.53576%0.763SS.*THydrogen-bonded Turntrans-81.5-6178.3-80.9-26.9000114D230 L235D230-N233 PolarHBondContact O-N 3.08Å; N233-L235 VanDerWaalsContact C-N 3.26Å; N233-L235 PolarHBondContact O-N 2.9Å
234F49.3Very low39.7Very low161 Ų161150 Ų15071%0.70676%0.76SS**THydrogen-bonded Turntrans-62.2-30.4179.5-177.9-107000113.4L232L232-F234 VanDerWaalsContact C-N 3.29Å; L232-F234 PolarHBondContact O-N 3.17Å
235L39.5Very low39.8Very low145 Ų145148.6 Ų148.676%0.75976%0.76SS**SBendtrans-94.9-14.2-174.3-71164.6000114.4N233 K237N233-L235 VanDerWaalsContact C-N 3.26Å; N233-L235 PolarHBondContact O-N 2.9Å; L235-K237 PolarHBondContact O-N 3Å
236R47.8Very low40Very low216 Ų216149.4 Ų149.482%0.81576%0.76SS**THydrogen-bonded Turntrans-78.3-12.8-171-164.6168.5177.5173.90.9114.6
237K40.9Very low40.2Very low197 Ų197146.2 Ų146.286%0.85775%0.749SS**THydrogen-bonded Turntrans-104.922.7-164.6-136.8175.9-172.5171.90117.5L235L235-K237 PolarHBondContact O-N 3Å
238R35.8Very low40.3Very low209 Ų209150.2 Ų150.279%0.78976%0.764SS**SBendtrans-113.86.3178.3-68.9-161.3-157.4131.96.2116.9
239K35.4Very low40.3Very low200 Ų200154.5 Ų154.587%0.8777%0.769SS**  trans-143.185.5179.5-63.5-172-179.9-179.20112.6
240S37.4Very low40.2Very low113 Ų113156.8 Ų156.879%0.7977%0.773SS**SBendtrans-172.1142.6143.2500000112
241E39.8Very low39.7Very low159 Ų159161 Ų16174%0.74379%0.785SS**  trans50.894.9159.8-106.564.5-155.400119.9E243E241-E243 HydrophobicContact CG-CG 4.25Å; E241-E243 PolarHBondContact O-N 2.77Å
242I34.6Very low39.4Very low182 Ų182162.9 Ų162.993%0.93379%0.79SS**  trans-69.993.3153.1-64.2152.8000107
243E39.7Very low39.2Very low162 Ų162165.9 Ų165.976%0.75780%0.797SS**  trans-110142.3163.6-76.4-139.4167.100111E241E241-E243 HydrophobicContact CG-CG 4.25Å; E241-E243 PolarHBondContact O-N 2.77Å
244P36.5Very low39.1Very low110 Ų110165.9 Ų165.971%0.71481%0.805SS**PPolyproline II helixtrans-72.3156.5-162.929.4-35.1000113.9T246P244-T246 PolarHBondContact O-N 3.33Å
245P32.5Very low39Very low126 Ų126165.8 Ų165.882%0.81881%0.806SS**PPolyproline II helixtrans-80.7118.1-157.332-32.8000111.7
246T37.3Very low39.6Very low130 Ų130165.8 Ų165.880%0.79880%0.802SS**PPolyproline II helixtrans-84.7125.2164.250.80000109.8P244 N248P244-T246 PolarHBondContact O-N 3.33Å; T246-N248 PolarHBondContact O-N 3.29Å
247P37.4Very low40.2Very low112 Ų112160.6 Ų160.673%0.72779%0.791SS**THydrogen-bonded Turntrans-82.6111.3-179.531.7-28.2000107.8
248N40.4Very low41.3Very low165 Ų165154.1 Ų154.188%0.88277%0.765SS**THydrogen-bonded Turntrans164.611.4151.1-83-19.3000115.1T246 K250T246-N248 PolarHBondContact O-N 3.29Å; N248-K250 PolarHBondContact O-N 3.37Å
249R33.7Very low42.7Very low235 Ų235150 Ų15089%0.88776%0.758SS**  trans-92.7103.5170.2-115169.174.2119.9-4.1111.3K251R249-K251 PolarHBondContact O-N 3.2Å
250K40.2Very low44.3Very low187 Ų187147.1 Ų147.181%0.81375%0.746SS**  trans-48.4122.5168.4-67.9174.7-179.3173.40108.3N248 H252N248-K250 PolarHBondContact O-N 3.37Å; K250-H252 PolarHBondContact O-N 2.92Å
251K34.9Very low45.8Very low203 Ų203145.7 Ų145.788%0.88373%0.729SS**  trans-62.597.2179.4-65.9-178.4-179.8-1800108.5R249 K253R249-K251 PolarHBondContact O-N 3.2Å; K251-K253 VanDerWaalsContact C-N 3.28Å; K251-K253 PolarHBondContact O-N 2.98Å
252H39.4Very low47.4Very low174 Ų174142.6 Ų142.681%0.80672%0.721SS**  trans-66.298.1156.7-69.3-80.7000105.5K250 S254K250-H252 PolarHBondContact O-N 2.92Å; H252-S254 PolarHBondContact O-N 3.45Å
253K41.8Very low49.3Very low198 Ų198137.5 Ų137.586%0.86169%0.692SS**  trans-55.4113.8164.7-94.8167.7173.4173.90105.3K251 H255K251-K253 VanDerWaalsContact C-N 3.28Å; K251-K253 PolarHBondContact O-N 2.98Å; K253-H255 PolarHBondContact O-N 3.11Å
254S47.6Very low50.8Low99 Ų99131.8 Ų131.869%0.69267%0.668SS**  trans-53.8111.217348.90000106.8H252 H256H252-S254 PolarHBondContact O-N 3.45Å; S254-H256 PolarHBondContact O-N 3.26Å
255H45.3Very low52.6Low159 Ų159134.7 Ų134.774%0.73668%0.677SS**  trans-57.7106.8167.9-161.9-93.6000105.2K253K253-H255 PolarHBondContact O-N 3.11Å
256H52.3Low54.5Low146 Ų146131 Ų13168%0.67666%0.655SS**  trans-64.7140.3164.1-90.8-16.4000106.6S254 L258S254-H256 PolarHBondContact O-N 3.26Å; H256-L258 HydrophobicContact CB-CD2 4.47Å; H256-L258 WeakPolarHBondContact O-CG 3.47Å; H256-L258 PolarHBondContact O-N 3.5Å
257D61.9Low56.2Low107 Ų107131.2 Ų131.257%0.57266%0.656SS**  trans-67.987.8170.6-92.9-13.4000108.2D259D257-D259 PolarHBondContact O-N 3.34Å
258L62.8Low58.2Low60 Ų60131 Ų13131%0.31465%0.649SS.*G310 helixtrans-68.9-13.4-179.9-65.9165.7000111.7H256 K260 I261 I280H256-L258 HydrophobicContact CB-CD2 4.47Å; H256-L258 WeakPolarHBondContact O-CG 3.47Å; H256-L258 PolarHBondContact O-N 3.5Å; L258-K260 PolarHBondContact O-N 3.18Å; L258-I261 HydrophobicContact CD2-CD1 4.34Å; L258-I261 PolarHBondContact O-N 3.5Å; L258-I280 HydrophobicContact CB-CD1 4.21Å; L258-I280 HydrophobicContact CD1-CD1 4.11Å; L258-I280 HydrophobicContact CD1-CG2 4.26Å; L258-I280 HydrophobicContact CD2-CD1 4.04Å; L258-I280 HydrophobicContact CG-CD1 4.32Å
259D65.3Low60.2Low122 Ų122130.6 Ų130.665%0.65264%0.639SS**G310 helixtrans-67.6-16.1-179.2-65.8-16.7000114D257 R276D257-D259 PolarHBondContact O-N 3.34Å; D259-R276 PolarHBondContact O-NH1 2.86Å; D259-R276 PolarHBondContact O-NH2 2.73Å
260K68.7Low62.5Low140 Ų140127.4 Ų127.461%0.60963%0.634SS**G310 helixtrans-83.7-11.6179.2-62.9-175.5-178-173.10113.6L258 V262L258-K260 PolarHBondContact O-N 3.18Å; K260-V262 PolarHBondContact O-N 3.2Å
261I68.6Low64.4Low84 Ų84120.7 Ų120.743%0.43161%0.614SS.*  trans-89.9100.8-179.1-52.8174.3000108.4L258 F263 R276L258-I261 HydrophobicContact CD2-CD1 4.34Å; L258-I261 PolarHBondContact O-N 3.5Å; I261-F263 HydrophobicContact CB-CE2 4Å; I261-F263 HydrophobicContact CB-CZ 4.38Å; I261-F263 HydrophobicContact CG2-CD2 4.07Å; I261-F263 HydrophobicContact CG2-CE1 4.11Å; I261-F263 HydrophobicContact CG2-CE2 3.58Å; I261-F263 HydrophobicContact CG2-CZ 3.61Å; I261-F263 WeakPolarHBondContact O-CD2 3.22Å; I261-R276 PolarHBondContact O-NE 2.95Å; I261-R276 PolarHBondContact O-NH2 3.43Å
262V73.5Confident66.6Low94 Ų94112 Ų11257%0.5758%0.576SS**  trans-82.2118.5174.5177.60000108.8K260 T264 E272K260-V262 PolarHBondContact O-N 3.2Å; V262-T264 WeakPolarHBondContact CG1-O 3.44Å; V262-E272 VanDerWaalsContact CA-OE1 3.24Å; V262-E272 WeakPolarHBondContact CA-OE1 3.18Å; V262-E272 WeakPolarHBondContact CG1-OE1 3.35Å
263F74.8Confident68.8Low74 Ų74109.7 Ų109.733%0.32557%0.566SS.*  trans-95.5-20.2-176.4-75-86000113.5I261 L275 R276 I279I261-F263 HydrophobicContact CB-CE2 4Å; I261-F263 HydrophobicContact CB-CZ 4.38Å; I261-F263 HydrophobicContact CG2-CD2 4.07Å; I261-F263 HydrophobicContact CG2-CE1 4.11Å; I261-F263 HydrophobicContact CG2-CE2 3.58Å; I261-F263 HydrophobicContact CG2-CZ 3.61Å; I261-F263 WeakPolarHBondContact O-CD2 3.22Å; F263-L275 HydrophobicContact CB-CD2 3.93Å; F263-L275 HydrophobicContact CB-CG 4.48Å; F263-R276 HydrophobicContact CD2-CB 4.3Å; F263-R276 HydrophobicContact CD2-CG 3.42Å; F263-R276 VanDerWaalsContact CD2-CG 3.42Å; F263-R276 HydrophobicContact CE2-CB 4.26Å; F263-R276 HydrophobicContact CE2-CG 3.68Å; F263-I279 HydrophobicContact CD1-CD1 3.75Å; F263-I279 HydrophobicContact CE1-CD1 3.97Å; F263-I279 HydrophobicContact CE1-CG2 4.26Å; F263-I279 HydrophobicContact CG-CD1 4.31Å
264T71.3Confident70.9Confident42 Ų42105.9 Ų105.926%0.25855%0.55SS..  trans-144.5146.5-179.1630000110.7V262 S266 L275V262-T264 WeakPolarHBondContact CG1-O 3.44Å; T264-S266 PolarHBondContact O-N 3.22Å; T264-S266 VanDerWaalsContact O-N 3.13Å; T264-S266 PolarHBondContact OG1-OG 3.31Å; T264-L275 HydrophobicContact CG2-CD2 3.39Å
265D74.2Confident72.7Confident171 Ų171103.6 Ų103.691%0.91453%0.529SS*.SBendtrans-74.47.6170.3-60.1-17.8000112.8
266S72.6Confident74.3Confident50 Ų5097.9 Ų97.935%0.3550%0.501SS..  trans-74.4139.3-17784.40000111.2T264 N268T264-S266 PolarHBondContact O-N 3.22Å; T264-S266 VanDerWaalsContact O-N 3.13Å; T264-S266 PolarHBondContact OG1-OG 3.31Å; S266-N268 PolarHBondContact O-N 2.97Å
267T73.1Confident75.7Confident134 Ų13493.9 Ų93.982%0.82249%0.485SS*.SBendtrans-74.3-5.5-177.552.50000113.8K269T267-K269 PolarHBondContact O-N 2.98Å
268N80.5Confident76.7Confident107 Ų10792.8 Ų92.857%0.57247%0.473SS*.  trans-8890.9-175.8-68.6-26.5000110.5S266 E270 A271 E272S266-N268 PolarHBondContact O-N 2.97Å; N268-E270 PolarHBondContact O-N 3.12Å; N268-A271 HydrophobicContact CB-CB 3.87Å; N268-A271 WeakPolarHBondContact O-CB 3.47Å; N268-A271 PolarHBondContact O-N 3.43Å; N268-E272 PolarHBondContact O-N 3.11Å
269K81.4Confident77.7Confident157 Ų15793 Ų9368%0.68347%0.474SS*.Hα-helixtrans-52.3-39.4178.3-69.2-178.7179.6-1800113.5T267 A271 E272 E273T267-K269 PolarHBondContact O-N 2.98Å; K269-A271 PolarHBondContact O-N 3.42Å; K269-E272 PolarHBondContact O-N 3.1Å; K269-E273 WeakPolarHBondContact O-CB 3.4Å; K269-E273 WeakPolarHBondContact O-CG 3.41Å; K269-E273 PolarHBondContact O-N 3.03Å
270E82.2Confident78.5Confident168 Ų16890.3 Ų90.379%0.78546%0.459SS*.Hα-helixtrans-64.6-39.2178.6-63.8-179.8-178.700112.4N268 E272 F274N268-E270 PolarHBondContact O-N 3.12Å; E270-E272 VanDerWaalsContact C-N 3.33Å; E270-F274 WeakPolarHBondContact O-CB 3.36Å; E270-F274 PolarHBondContact O-N 3.13Å
271A79.3Confident78.9Confident46 Ų4688.8 Ų88.838%0.3846%0.458SS..Hα-helixtrans-69.4-37176.400000110.7N268 K269 F274 L275N268-A271 HydrophobicContact CB-CB 3.87Å; N268-A271 WeakPolarHBondContact O-CB 3.47Å; N268-A271 PolarHBondContact O-N 3.43Å; K269-A271 PolarHBondContact O-N 3.42Å; A271-F274 PolarHBondContact O-N 3.26Å; A271-L275 VanDerWaalsContact O-CB 3.25Å; A271-L275 WeakPolarHBondContact O-CB 3.48Å; A271-L275 PolarHBondContact O-N 3.42Å
272E83Confident79.1Confident21 Ų2190.3 Ų90.310%0.09846%0.461CS..Hα-helixtrans-67.6-43.2175.9-158.4-169.4161.400112V262 N268 K269 E270 L275 R276V262-E272 VanDerWaalsContact CA-OE1 3.24Å; V262-E272 WeakPolarHBondContact CA-OE1 3.18Å; V262-E272 WeakPolarHBondContact CG1-OE1 3.35Å; N268-E272 PolarHBondContact O-N 3.11Å; K269-E272 PolarHBondContact O-N 3.1Å; E270-E272 VanDerWaalsContact C-N 3.33Å; E272-L275 PolarHBondContact O-N 2.63Å; E272-R276 WeakPolarHBondContact O-CB 3.47Å; E272-R276 WeakPolarHBondContact O-CD 3.45Å; E272-R276 WeakPolarHBondContact O-CG 3.39Å; E272-R276 PolarHBondContact O-N 2.98Å; E272-R276 IonicContact OE1-CZ 2.57Å; E272-R276 VanDerWaalsContact OE1-CZ 3.3Å; E272-R276 IonicContact OE1-NE 3.45Å; E272-R276 PolarHBondContact OE1-NE 3.41Å; E272-R276 IonicContact OE1-NH2 2.93Å; E272-R276 PolarHBondContact OE1-NH2 3.49Å; E272-R276 IonicContact OE2-NH2 2.91Å
273E84.3Confident78.8Confident125 Ų12590.7 Ų90.758%0.58445%0.452SS*.Hα-helixtrans-61.9-44.5173-75.8176-17000111.7K269 L275 R276 D277K269-E273 WeakPolarHBondContact O-CB 3.4Å; K269-E273 WeakPolarHBondContact O-CG 3.41Å; K269-E273 PolarHBondContact O-N 3.03Å; E273-L275 VanDerWaalsContact C-N 3.32Å; E273-L275 PolarHBondContact O-N 3.41Å; E273-R276 PolarHBondContact O-N 3.08Å; E273-D277 WeakPolarHBondContact O-CB 3.42Å; E273-D277 PolarHBondContact O-N 3.21Å
274F86.2Confident78.6Confident118 Ų11893.8 Ų93.852%0.51846%0.462SS..Hα-helixtrans-58.4-45.6173172.9-88.6000111.3E270 A271 D277 Y278E270-F274 WeakPolarHBondContact O-CB 3.36Å; E270-F274 PolarHBondContact O-N 3.13Å; A271-F274 PolarHBondContact O-N 3.26Å; F274-D277 PolarHBondContact O-N 2.86Å; F274-Y278 HydrophobicContact CE1-CD2 4.37Å; F274-Y278 HydrophobicContact CE1-CG 4.29Å; F274-Y278 HydrophobicContact CZ-CD2 4.15Å; F274-Y278 WeakPolarHBondContact O-CB 3.33Å; F274-Y278 PolarHBondContact O-N 3.08Å
275L84.5Confident78.3Confident51 Ų5194.5 Ų94.527%0.26746%0.463SS..Hα-helixtrans-68.4-42.5-178.4-174.465.3000111.8F263 T264 A271 E272 E273 D277 Y278 I279F263-L275 HydrophobicContact CB-CD2 3.93Å; F263-L275 HydrophobicContact CB-CG 4.48Å; T264-L275 HydrophobicContact CG2-CD2 3.39Å; A271-L275 VanDerWaalsContact O-CB 3.25Å; A271-L275 WeakPolarHBondContact O-CB 3.48Å; A271-L275 PolarHBondContact O-N 3.42Å; E272-L275 PolarHBondContact O-N 2.63Å; E273-L275 VanDerWaalsContact C-N 3.32Å; E273-L275 PolarHBondContact O-N 3.41Å; L275-D277 VanDerWaalsContact C-N 3.33Å; L275-D277 PolarHBondContact O-N 2.98Å; L275-Y278 PolarHBondContact O-N 3.37Å; L275-I279 HydrophobicContact CD1-CD1 3.82Å; L275-I279 HydrophobicContact CD1-CG1 4.12Å; L275-I279 HydrophobicContact CD2-CD1 4.46Å; L275-I279 HydrophobicContact CG-CD1 3.77Å; L275-I279 HydrophobicContact CG-CG1 4.39Å; L275-I279 WeakPolarHBondContact O-CB 3.29Å; L275-I279 VanDerWaalsContact O-CG1 3.29Å; L275-I279 WeakPolarHBondContact O-CG1 3.26Å; L275-I279 PolarHBondContact O-N 3.44Å
276R80.6Confident77.9Confident39 Ų3993 Ų9315%0.14745%0.451CS..Hα-helixtrans-53-52.6172.7-76.9165.9-177.9-153.9-1.4110.1D259 I261 F263 E272 E273 I280D259-R276 PolarHBondContact O-NH1 2.86Å; D259-R276 PolarHBondContact O-NH2 2.73Å; I261-R276 PolarHBondContact O-NE 2.95Å; I261-R276 PolarHBondContact O-NH2 3.43Å; F263-R276 HydrophobicContact CD2-CB 4.3Å; F263-R276 HydrophobicContact CD2-CG 3.42Å; F263-R276 VanDerWaalsContact CD2-CG 3.42Å; F263-R276 HydrophobicContact CE2-CB 4.26Å; F263-R276 HydrophobicContact CE2-CG 3.68Å; E272-R276 WeakPolarHBondContact O-CB 3.47Å; E272-R276 WeakPolarHBondContact O-CD 3.45Å; E272-R276 WeakPolarHBondContact O-CG 3.39Å; E272-R276 PolarHBondContact O-N 2.98Å; E272-R276 IonicContact OE1-CZ 2.57Å; E272-R276 VanDerWaalsContact OE1-CZ 3.3Å; E272-R276 IonicContact OE1-NE 3.45Å; E272-R276 PolarHBondContact OE1-NE 3.41Å; E272-R276 IonicContact OE1-NH2 2.93Å; E272-R276 PolarHBondContact OE1-NH2 3.49Å; E272-R276 IonicContact OE2-NH2 2.91Å; E273-R276 PolarHBondContact O-N 3.08Å; R276-I280 VanDerWaalsContact O-CB 3.26Å; R276-I280 WeakPolarHBondContact O-CB 3.46Å; R276-I280 WeakPolarHBondContact O-CD1 3.38Å; R276-I280 WeakPolarHBondContact O-CG1 3.25Å; R276-I280 PolarHBondContact O-N 3.32Å
277D80.5Confident77.3Confident61 Ų6196.3 Ų96.333%0.32647%0.471SS..Hα-helixtrans-69.1-41.3-179.1-167.6-20.1000111.6E273 F274 L275 I279 I280 N281 R283E273-D277 WeakPolarHBondContact O-CB 3.42Å; E273-D277 PolarHBondContact O-N 3.21Å; F274-D277 PolarHBondContact O-N 2.86Å; L275-D277 VanDerWaalsContact C-N 3.33Å; L275-D277 PolarHBondContact O-N 2.98Å; D277-I279 PolarHBondContact O-N 3.18Å; D277-I280 PolarHBondContact O-N 3.09Å; D277-N281 VanDerWaalsContact O-CB 3.29Å; D277-N281 WeakPolarHBondContact O-CB 3.24Å; D277-N281 PolarHBondContact O-N 3.33Å; D277-N281 PolarHBondContact OD1-ND2 2.57Å; D277-R283 WeakPolarHBondContact OD1-CD 2.9Å; D277-R283 IonicContact OD1-CZ 3.09Å; D277-R283 IonicContact OD1-NH1 3.77Å; D277-R283 PolarHBondContact OD1-NH1 2.94Å; D277-R283 IonicContact OD2-CZ 3.35Å; D277-R283 IonicContact OD2-NH1 3.73Å; D277-R283 PolarHBondContact OD2-NH1 3.06Å
278Y84.4Confident76.6Confident84 Ų8497.1 Ų97.133%0.32947%0.471SS..Hα-helixtrans-59-45.1177.5-176.1-104.1000112.7F274 L275 K282 R283 W284F274-Y278 HydrophobicContact CE1-CD2 4.37Å; F274-Y278 HydrophobicContact CE1-CG 4.29Å; F274-Y278 HydrophobicContact CZ-CD2 4.15Å; F274-Y278 WeakPolarHBondContact O-CB 3.33Å; F274-Y278 PolarHBondContact O-N 3.08Å; L275-Y278 PolarHBondContact O-N 3.37Å; Y278-K282 WeakPolarHBondContact O-CA 3.17Å; Y278-K282 PolarHBondContact O-N 3.5Å; Y278-R283 HydrophobicContact CD2-CB 3.76Å; Y278-R283 HydrophobicContact CE2-CB 4.24Å; Y278-R283 PolarHBondContact O-N 2.74Å; Y278-R283 VanDerWaalsContact O-N 3.16Å; Y278-W284 AromaticContact CD1-CE3 3.76Å; Y278-W284 HydrophobicContact CD1-CE3 3.76Å; Y278-W284 AromaticContact CD1-CZ3 3.74Å; Y278-W284 HydrophobicContact CD1-CZ3 3.74Å; Y278-W284 AromaticContact CE1-CE3 3.35Å; Y278-W284 HydrophobicContact CE1-CE3 3.35Å; Y278-W284 AromaticContact CE1-CZ3 3.69Å; Y278-W284 HydrophobicContact CE1-CZ3 3.69Å; Y278-W284 HydrophobicContact CE2-CB 4.5Å; Y278-W284 HydrophobicContact CE2-CE3 4.21Å; Y278-W284 HydrophobicContact CG-CE3 4.37Å; Y278-W284 AromaticContact CZ-CE3 3.6Å; Y278-W284 WeakPolarHBondContact O-CZ3 3.39Å
279I83.1Confident75.3Confident64 Ų6493.8 Ų93.833%0.32846%0.455SS..Hα-helixtrans-71.6-48.5178.9-66.4172.2000111.1F263 L275 D277 K282 W284F263-I279 HydrophobicContact CD1-CD1 3.75Å; F263-I279 HydrophobicContact CE1-CD1 3.97Å; F263-I279 HydrophobicContact CE1-CG2 4.26Å; F263-I279 HydrophobicContact CG-CD1 4.31Å; L275-I279 HydrophobicContact CD1-CD1 3.82Å; L275-I279 HydrophobicContact CD1-CG1 4.12Å; L275-I279 HydrophobicContact CD2-CD1 4.46Å; L275-I279 HydrophobicContact CG-CD1 3.77Å; L275-I279 HydrophobicContact CG-CG1 4.39Å; L275-I279 WeakPolarHBondContact O-CB 3.29Å; L275-I279 VanDerWaalsContact O-CG1 3.29Å; L275-I279 WeakPolarHBondContact O-CG1 3.26Å; L275-I279 PolarHBondContact O-N 3.44Å; D277-I279 PolarHBondContact O-N 3.18Å; I279-K282 PolarHBondContact O-N 3.19Å; I279-W284 HydrophobicContact CG1-CZ3 4.49Å
280I82.6Confident74Confident66 Ų6698.2 Ų98.234%0.33847%0.468SS..Hα-helixtrans-71.8-46-172.9-66.8166.8000111.1L258 R276 D277 K282L258-I280 HydrophobicContact CB-CD1 4.21Å; L258-I280 HydrophobicContact CD1-CD1 4.11Å; L258-I280 HydrophobicContact CD1-CG2 4.26Å; L258-I280 HydrophobicContact CD2-CD1 4.04Å; L258-I280 HydrophobicContact CG-CD1 4.32Å; R276-I280 VanDerWaalsContact O-CB 3.26Å; R276-I280 WeakPolarHBondContact O-CB 3.46Å; R276-I280 WeakPolarHBondContact O-CD1 3.38Å; R276-I280 WeakPolarHBondContact O-CG1 3.25Å; R276-I280 PolarHBondContact O-N 3.32Å; D277-I280 PolarHBondContact O-N 3.09Å; I280-K282 PolarHBondContact O-N 3.25Å
281N77.3Confident72.7Confident109 Ų10996.9 Ų96.958%0.58346%0.456SS*.THydrogen-bonded Turntrans-85.84.2-179.9-70.1-26.8000113.1D277 R283D277-N281 VanDerWaalsContact O-CB 3.29Å; D277-N281 WeakPolarHBondContact O-CB 3.24Å; D277-N281 PolarHBondContact O-N 3.33Å; D277-N281 PolarHBondContact OD1-ND2 2.57Å; N281-R283 VanDerWaalsContact C-N 3.28Å; N281-R283 PolarHBondContact O-N 3.09Å
282K70.9Confident71.7Confident116 Ų11697.3 Ų97.350%0.50446%0.456SS..THydrogen-bonded Turntrans46.550.4179-54.7-174.7179.7-172.30111.7Y278 I279 I280 W284 I285Y278-K282 WeakPolarHBondContact O-CA 3.17Å; Y278-K282 PolarHBondContact O-N 3.5Å; I279-K282 PolarHBondContact O-N 3.19Å; I280-K282 PolarHBondContact O-N 3.25Å; K282-W284 HydrophobicContact CB-CZ2 4.21Å; K282-W284 HydrophobicContact CG-CZ2 4.14Å; K282-W284 PolarHBondContact O-N 3.34Å; K282-I285 HydrophobicContact CB-CB 4.44Å; K282-I285 HydrophobicContact CB-CD1 3.66Å; K282-I285 HydrophobicContact CB-CG1 3.93Å; K282-I285 HydrophobicContact CD-CD1 3.58Å; K282-I285 HydrophobicContact CG-CD1 4.26Å; K282-I285 WeakPolarHBondContact O-CA 3.4Å; K282-I285 VanDerWaalsContact O-CB 3.24Å; K282-I285 WeakPolarHBondContact O-CB 3.27Å; K282-I285 WeakPolarHBondContact O-CG1 3.46Å; K282-I285 PolarHBondContact O-N 2.79Å
283R69Low70.5Confident102 Ų102103.9 Ų103.939%0.38549%0.492SS..THydrogen-bonded Turntrans-64.7-10.2-174-90.8138.951.5157-11.8114.7D277 Y278 N281 I285D277-R283 WeakPolarHBondContact OD1-CD 2.9Å; D277-R283 IonicContact OD1-CZ 3.09Å; D277-R283 IonicContact OD1-NH1 3.77Å; D277-R283 PolarHBondContact OD1-NH1 2.94Å; D277-R283 IonicContact OD2-CZ 3.35Å; D277-R283 IonicContact OD2-NH1 3.73Å; D277-R283 PolarHBondContact OD2-NH1 3.06Å; Y278-R283 HydrophobicContact CD2-CB 3.76Å; Y278-R283 HydrophobicContact CE2-CB 4.24Å; Y278-R283 PolarHBondContact O-N 2.74Å; Y278-R283 VanDerWaalsContact O-N 3.16Å; N281-R283 VanDerWaalsContact C-N 3.28Å; N281-R283 PolarHBondContact O-N 3.09Å; R283-I285 PolarHBondContact O-N 3.42Å
284W70.3Confident69.6Low139 Ų139104.9 Ų104.953%0.52749%0.494SS..THydrogen-bonded Turntrans-68.2-13.4164.457.283000113.3Y278 I279 K282Y278-W284 AromaticContact CD1-CE3 3.76Å; Y278-W284 HydrophobicContact CD1-CE3 3.76Å; Y278-W284 AromaticContact CD1-CZ3 3.74Å; Y278-W284 HydrophobicContact CD1-CZ3 3.74Å; Y278-W284 AromaticContact CE1-CE3 3.35Å; Y278-W284 HydrophobicContact CE1-CE3 3.35Å; Y278-W284 AromaticContact CE1-CZ3 3.69Å; Y278-W284 HydrophobicContact CE1-CZ3 3.69Å; Y278-W284 HydrophobicContact CE2-CB 4.5Å; Y278-W284 HydrophobicContact CE2-CE3 4.21Å; Y278-W284 HydrophobicContact CG-CE3 4.37Å; Y278-W284 AromaticContact CZ-CE3 3.6Å; Y278-W284 WeakPolarHBondContact O-CZ3 3.39Å; I279-W284 HydrophobicContact CG1-CZ3 4.49Å; K282-W284 HydrophobicContact CB-CZ2 4.21Å; K282-W284 HydrophobicContact CG-CZ2 4.14Å; K282-W284 PolarHBondContact O-N 3.34Å
285I65.2Low68.6Low57 Ų57106.5 Ų106.529%0.29251%0.507SS..SBendtrans-98.8114.6176.2-51.4-176.9000108.2K282 R283K282-I285 HydrophobicContact CB-CB 4.44Å; K282-I285 HydrophobicContact CB-CD1 3.66Å; K282-I285 HydrophobicContact CB-CG1 3.93Å; K282-I285 HydrophobicContact CD-CD1 3.58Å; K282-I285 HydrophobicContact CG-CD1 4.26Å; K282-I285 WeakPolarHBondContact O-CA 3.4Å; K282-I285 VanDerWaalsContact O-CB 3.24Å; K282-I285 WeakPolarHBondContact O-CB 3.27Å; K282-I285 WeakPolarHBondContact O-CG1 3.46Å; K282-I285 PolarHBondContact O-N 2.79Å; R283-I285 PolarHBondContact O-N 3.42Å
286E64.4Low68.3Low139 Ų139108 Ų10865%0.6552%0.52SS*.  trans-60.4121.8175.1-67.3-174.8163.900110.9N288 S289E286-N288 PolarHBondContact O-N 3.49Å; E286-S289 PolarHBondContact O-N 3.17Å
287P60.7Low68Low119 Ų119109.6 Ų109.677%0.77353%0.533SS*.THydrogen-bonded Turntrans-67.7-14.9-167.523.8-32.9000114
288N58.7Low67.6Low152 Ų152115.3 Ų115.381%0.81355%0.552SS**THydrogen-bonded Turntrans-118.91.9-175.9-68.5-30.3000114.3E286 R290E286-N288 PolarHBondContact O-N 3.49Å; N288-R290 PolarHBondContact O-N 2.98Å
289S53.7Low67.1Low36 Ų36114 Ų11425%0.25256%0.555SS.*  trans-77110.8172.9-168.50000108E286 R291 S292E286-S289 PolarHBondContact O-N 3.17Å; S289-R291 PolarHBondContact O-N 3Å; S289-S292 WeakPolarHBondContact O-CB 3.44Å; S289-S292 PolarHBondContact O-N 2.98Å; S289-S292 PolarHBondContact O-OG 3.34Å; S289-S292 VanDerWaalsContact O-OG 3.11Å
290R54.3Low67Low250 Ų250112.3 Ų112.394%0.94355%0.546SS*.THydrogen-bonded Turntrans-53.1-12.3170.6-75.8-175.3-168.2-178.54.2112.7N288N288-R290 PolarHBondContact O-N 2.98Å
291R53.7Low66.8Low140 Ų140112.7 Ų112.753%0.52855%0.552SS.*THydrogen-bonded Turntrans-80.8-11.7175.9-55.9-170.4-179.7179.44.6114.2S289 N293 K294S289-R291 PolarHBondContact O-N 3Å; R291-N293 PolarHBondContact O-N 2.82Å; R291-K294 PolarHBondContact O-N 3.21Å; R291-K294 VanDerWaalsContact O-O 3.06Å
292S58.1Low66.6Low55 Ų55109.1 Ų109.139%0.38553%0.533SS..THydrogen-bonded Turntrans-57.8-26.5-17456.60000115.1S289S289-S292 WeakPolarHBondContact O-CB 3.44Å; S289-S292 PolarHBondContact O-N 2.98Å; S289-S292 PolarHBondContact O-OG 3.34Å; S289-S292 VanDerWaalsContact O-OG 3.11Å
293N58.6Low66.6Low160 Ų160108.9 Ų108.986%0.85653%0.528SS*.THydrogen-bonded Turntrans-1075.6175.3-64.9-35000113.6R291R291-N293 PolarHBondContact O-N 2.82Å
294K65Low66.7Low146 Ų146111.6 Ų111.664%0.63555%0.545SS*.SBendtrans-115.8111.5-177.7-168.8109.7-178.8-173.90109.1R291R291-K294 PolarHBondContact O-N 3.21Å; R291-K294 VanDerWaalsContact O-O 3.06Å
295I66Low66.8Low152 Ų152108.5 Ų108.578%0.77955%0.545SS*.PPolyproline II helixtrans-51.1124.8171.8-58.3163.4000108.1T297I295-T297 PolarHBondContact O-N 3.13Å
296P77.1Confident66.8Low83 Ų83108.8 Ų108.854%0.53956%0.562SS.*PPolyproline II helixtrans-54.6129.7-179.8-27.135.1000111.2D300 V301P296-D300 HydrophobicContact CB-CB 4.36Å; P296-V301 HydrophobicContact CB-CG2 4.07Å
297T75.4Confident66.6Low71 Ų71106.8 Ų106.844%0.43656%0.555SS.*PPolyproline II helixtrans-77.3153172.3-510000108.6I295 S299 D300 V301I295-T297 PolarHBondContact O-N 3.13Å; T297-S299 PolarHBondContact O-N 3.47Å; T297-D300 PolarHBondContact N-OD2 2.85Å; T297-D300 WeakPolarHBondContact O-CA 3.45Å; T297-D300 VanDerWaalsContact O-CB 3.25Å; T297-D300 WeakPolarHBondContact O-CB 3.24Å; T297-D300 PolarHBondContact O-N 2.8Å; T297-V301 PolarHBondContact O-N 3.28Å
298Y71.9Confident66.3Low182 Ų182106.3 Ų106.371%0.71455%0.546SS*.Hα-helixtrans-46.3-41.5177.2177.8-105.2000113D300 V301 L302Y298-D300 VanDerWaalsContact C-N 3.33Å; Y298-D300 PolarHBondContact O-N 3.27Å; Y298-V301 PolarHBondContact O-N 2.92Å; Y298-L302 HydrophobicContact CD1-CD1 4Å; Y298-L302 HydrophobicContact CD2-CD1 3.97Å; Y298-L302 HydrophobicContact CE1-CD1 3.65Å; Y298-L302 HydrophobicContact CE1-CD2 3.96Å; Y298-L302 HydrophobicContact CE1-CG 4.5Å; Y298-L302 HydrophobicContact CE2-CD1 3.63Å; Y298-L302 HydrophobicContact CG-CD1 4.15Å; Y298-L302 VanDerWaalsContact CZ-CD1 3.46Å; Y298-L302 WeakPolarHBondContact O-CD1 3.08Å; Y298-L302 PolarHBondContact O-N 2.91Å; Y298-L302 VanDerWaalsContact O-N 3.09Å
299S73.7Confident66.3Low56 Ų56104.1 Ų104.139%0.39254%0.538SS..Hα-helixtrans-69.2-23.6175.743.30000114.7T297 R303T297-S299 PolarHBondContact O-N 3.47Å; S299-R303 WeakPolarHBondContact O-CG 3.49Å; S299-R303 PolarHBondContact O-N 3.2Å; S299-R303 PolarHBondContact O-NH1 2.98Å; S299-R303 VanDerWaalsContact O-NH1 3.08Å
300D80.2Confident66.2Low28 Ų28110 Ų11015%0.1557%0.567CS.*Hα-helixtrans-72.4-40171.6-55.6-26.1000110.6P296 T297 Y298 R303 E304P296-D300 HydrophobicContact CB-CB 4.36Å; T297-D300 PolarHBondContact N-OD2 2.85Å; T297-D300 WeakPolarHBondContact O-CA 3.45Å; T297-D300 VanDerWaalsContact O-CB 3.25Å; T297-D300 WeakPolarHBondContact O-CB 3.24Å; T297-D300 PolarHBondContact O-N 2.8Å; Y298-D300 VanDerWaalsContact C-N 3.33Å; Y298-D300 PolarHBondContact O-N 3.27Å; D300-R303 PolarHBondContact O-N 2.81Å; D300-R303 IonicContact OD1-CZ 2.55Å; D300-R303 IonicContact OD1-NH1 2.73Å; D300-R303 IonicContact OD1-NH2 2.79Å; D300-R303 PolarHBondContact OD1-NH2 3.12Å; D300-E304 PolarHBondContact O-N 3.26Å
301V78.1Confident65.6Low75 Ų75100 Ų10046%0.45554%0.541SS..Hα-helixtrans-66.1-42.7178.2-174.30000111P296 T297 Y298 R303 E304 S305P296-V301 HydrophobicContact CB-CG2 4.07Å; T297-V301 PolarHBondContact O-N 3.28Å; Y298-V301 PolarHBondContact O-N 2.92Å; V301-R303 VanDerWaalsContact C-N 3.27Å; V301-R303 PolarHBondContact O-N 3.32Å; V301-E304 PolarHBondContact O-N 3.5Å; V301-E304 VanDerWaalsContact O-N 3.09Å; V301-S305 PolarHBondContact O-N 2.89Å; V301-S305 PolarHBondContact O-OG 3.1Å
302L74.2Confident65.3Low34 Ų34100.6 Ų100.618%0.17856%0.555CS.*Hα-helixtrans-61.2-34.8177.2-93.769000112.8Y298 S305 L307 V309Y298-L302 HydrophobicContact CD1-CD1 4Å; Y298-L302 HydrophobicContact CD2-CD1 3.97Å; Y298-L302 HydrophobicContact CE1-CD1 3.65Å; Y298-L302 HydrophobicContact CE1-CD2 3.96Å; Y298-L302 HydrophobicContact CE1-CG 4.5Å; Y298-L302 HydrophobicContact CE2-CD1 3.63Å; Y298-L302 HydrophobicContact CG-CD1 4.15Å; Y298-L302 VanDerWaalsContact CZ-CD1 3.46Å; Y298-L302 WeakPolarHBondContact O-CD1 3.08Å; Y298-L302 PolarHBondContact O-N 2.91Å; Y298-L302 VanDerWaalsContact O-N 3.09Å; L302-S305 WeakPolarHBondContact CA-OG 3.42Å; L302-S305 PolarHBondContact O-OG 3.13Å; L302-S305 VanDerWaalsContact O-OG 3.11Å; L302-L307 CarbonylContact O-C 3.59Å; L302-L307 WeakPolarHBondContact O-CA 3.47Å; L302-L307 WeakPolarHBondContact O-CB 3.44Å; L302-L307 PolarHBondContact O-N 3.35Å; L302-V309 HydrophobicContact CD2-CG2 3.92Å
303R71.3Confident64.7Low111 Ų111107.2 Ų107.242%0.41958%0.577SS.*Hα-helixtrans-73.3-30.9175.8-68.5-174-49.4-101.14.9112.4S299 D300 V301 G306S299-R303 WeakPolarHBondContact O-CG 3.49Å; S299-R303 PolarHBondContact O-N 3.2Å; S299-R303 PolarHBondContact O-NH1 2.98Å; S299-R303 VanDerWaalsContact O-NH1 3.08Å; D300-R303 PolarHBondContact O-N 2.81Å; D300-R303 IonicContact OD1-CZ 2.55Å; D300-R303 IonicContact OD1-NH1 2.73Å; D300-R303 IonicContact OD1-NH2 2.79Å; D300-R303 PolarHBondContact OD1-NH2 3.12Å; V301-R303 VanDerWaalsContact C-N 3.27Å; V301-R303 PolarHBondContact O-N 3.32Å; R303-G306 PolarHBondContact O-N 3.47Å
304E71Confident64.1Low158 Ų158104.5 Ų104.574%0.73856%0.56SS**Hα-helixtrans-74.7-34.3176.2-171162.4-175.700112.1D300 V301 G306D300-E304 PolarHBondContact O-N 3.26Å; V301-E304 PolarHBondContact O-N 3.5Å; V301-E304 VanDerWaalsContact O-N 3.09Å; E304-G306 PolarHBondContact O-N 3.4Å
305S71.2Confident63.2Low75 Ų75103.1 Ų103.152%0.52456%0.56SS.*THydrogen-bonded Turntrans-76.98.9172.264.60000114.2V301 L302 L307V301-S305 PolarHBondContact O-N 2.89Å; V301-S305 PolarHBondContact O-OG 3.1Å; L302-S305 WeakPolarHBondContact CA-OG 3.42Å; L302-S305 PolarHBondContact O-OG 3.13Å; L302-S305 VanDerWaalsContact O-OG 3.11Å; S305-L307 PolarHBondContact O-N 3.34Å
306G66.7Low62.4Low62 Ų62102.2 Ų102.264%0.63956%0.556SS**THydrogen-bonded Turntrans72.29176.900000114.7R303 E304 D308R303-G306 PolarHBondContact O-N 3.47Å; E304-G306 PolarHBondContact O-N 3.4Å; G306-D308 VanDerWaalsContact C-N 3.31Å; G306-D308 PolarHBondContact O-N 3.28Å; G306-D308 VanDerWaalsContact O-N 3.15Å
307L59Low61Low98 Ų98104.4 Ų104.451%0.51356%0.563SS.*  trans-87.274.1174.7-68.9165.3000108.7L302 S305 V309L302-L307 CarbonylContact O-C 3.59Å; L302-L307 WeakPolarHBondContact O-CA 3.47Å; L302-L307 WeakPolarHBondContact O-CB 3.44Å; L302-L307 PolarHBondContact O-N 3.35Å; S305-L307 PolarHBondContact O-N 3.34Å; L307-V309 WeakPolarHBondContact O-CG2 3.48Å; L307-V309 PolarHBondContact O-N 3.11Å
308D54.6Low59.8Low108 Ų108107.5 Ų107.558%0.57858%0.576SS**  trans-68.5100.9174.6-105.1-14.7000109.8G306 N310G306-D308 VanDerWaalsContact C-N 3.31Å; G306-D308 PolarHBondContact O-N 3.28Å; G306-D308 VanDerWaalsContact O-N 3.15Å; D308-N310 PolarHBondContact O-N 3.03Å
309V59.2Low58.7Low107 Ų107103.9 Ų103.965%0.64857%0.569SS**THydrogen-bonded Turntrans-65.5-9.7-177.9-157.90000112.7L302 L307L302-V309 HydrophobicContact CD2-CG2 3.92Å; L307-V309 WeakPolarHBondContact O-CG2 3.48Å; L307-V309 PolarHBondContact O-N 3.11Å
310N51.5Low57.4Low159 Ų159105.3 Ų105.385%0.8557%0.572SS**THydrogen-bonded Turntrans-123.322.5-169.5-69.4-10.4000115.4D308D308-N310 PolarHBondContact O-N 3.03Å
311G42.3Very low56.2Low40 Ų40110.6 Ų110.641%0.41260%0.601SS.*SBendtrans-148.691.7177.600000114.9K313G311-K313 PolarHBondContact O-N 3.2Å
312D47.1Very low55.2Low153 Ų153114.6 Ų114.682%0.81862%0.62SS**SBendtrans35.50.8148.2-60.8-15.2000122.7
313K43.9Very low54.6Low193 Ų193118.7 Ų118.784%0.83964%0.641SS**  trans-98.9-5.2179.5-72.5-177.8179176.30113.8G311 N315G311-K313 PolarHBondContact O-N 3.2Å; K313-N315 PolarHBondContact O-N 2.81Å
314M46.4Very low54Low103 Ų103117.5 Ų117.551%0.50764%0.642SS.*THydrogen-bonded Turntrans-68.4-10173.3-71.5-66.1-75.500113.4N316 L318M314-N316 PolarHBondContact O-N 3.06Å; M314-L318 HydrophobicContact CE-CD1 3.73Å
315N46.2Very low54.2Low117 Ų117115.7 Ų115.763%0.62664%0.637SS**THydrogen-bonded Turntrans-70.7-9.6-176-74.2-24.4000115K313 N319K313-N315 PolarHBondContact O-N 2.81Å; N315-N319 PolarHBondContact O-ND2 2.9Å; N315-N319 VanDerWaalsContact O-ND2 3.14Å
316N49Very low54.5Low133 Ų133120.2 Ų120.271%0.71165%0.65SS**THydrogen-bonded Turntrans-123.1-10.1-176-72.23.6000116.2M314M314-N316 PolarHBondContact O-N 3.06Å
317L47.8Very low54.7Low129 Ų129123.4 Ų123.468%0.67565%0.652SS**THydrogen-bonded Turntrans-95.1-15.7178.3-156.869.6000113N319L317-N319 VanDerWaalsContact C-N 3.34Å
318L50.3Low55.6Low137 Ų137122 Ų12272%0.71765%0.645SS**THydrogen-bonded Turntrans-900.7175.9-112.5124.1000113.6M314M314-L318 HydrophobicContact CE-CD1 3.73Å
319N48.9Very low56.9Low105 Ų105122.4 Ų122.456%0.56164%0.644SS**THydrogen-bonded Turntrans-108.715.5176.3-63.7-25.9000111.9N315 L317 D321N315-N319 PolarHBondContact O-ND2 2.9Å; N315-N319 VanDerWaalsContact O-ND2 3.14Å; L317-N319 VanDerWaalsContact C-N 3.34Å; N319-D321 PolarHBondContact O-N 2.92Å
320D47.5Very low58.1Low86 Ų86123.7 Ų123.746%0.4664%0.641SS.*  trans-73.491.2166.6-73.7-23.3000106.5D322 I323D320-D322 PolarHBondContact O-N 3.37Å; D320-I323 HydrophobicContact CB-CD1 4.08Å; D320-I323 HydrophobicContact CB-CG1 4.47Å; D320-I323 PolarHBondContact O-N 3.33Å
321D53.7Low59.6Low140 Ų140121.2 Ų121.275%0.74963%0.627SS**THydrogen-bonded Turntrans-58.33.2-178.5-67.6-43.2000113.9N319N319-D321 PolarHBondContact O-N 2.92Å
322D57.1Low61.6Low158 Ų158122.6 Ų122.685%0.84563%0.627SS**THydrogen-bonded Turntrans-103.34.1-175.8-62.4-33.2000113.7D320D320-D322 PolarHBondContact O-N 3.37Å
323I61.7Low63.4Low121 Ų121122.6 Ų122.662%0.62162%0.62SS**SBendtrans-100-14.4-175-59.9173.8000113.3D320D320-I323 HydrophobicContact CB-CD1 4.08Å; D320-I323 HydrophobicContact CB-CG1 4.47Å; D320-I323 PolarHBondContact O-N 3.33Å
324L59.1Low65.4Low85 Ų85116.6 Ų116.645%0.44560%0.597SS.*  trans-87123.8-177.6-61.5-174.7000110.7D328 E329 V332L324-D328 HydrophobicContact CB-CB 3.87Å; L324-D328 HydrophobicContact CD2-CB 3.98Å; L324-D328 HydrophobicContact CG-CB 4.33Å; L324-E329 HydrophobicContact CB-CG 4.34Å; L324-V332 HydrophobicContact CD1-CG2 4.14Å
325D75.5Confident67Low120 Ų120115.7 Ų115.764%0.64259%0.594SS**  trans-64.9160.3169.7-69.8-31.3000110.1D327 D328 E329D325-D327 PolarHBondContact O-N 3.03Å; D325-D328 WeakPolarHBondContact O-CA 3.14Å; D325-D328 WeakPolarHBondContact O-CB 3.5Å; D325-D328 PolarHBondContact O-N 2.91Å; D325-E329 PolarHBondContact O-N 3.44Å; D325-E329 VanDerWaalsContact O-N 3.08Å
326E76.7Confident69Low170 Ų170114.6 Ų114.679%0.79459%0.588SS**Hα-helixtrans-53.5-30.6-178.4-63.6-175.8174.300113F330E326-F330 PolarHBondContact O-N 2.88Å
327D71.9Confident70.8Confident129 Ų129114.4 Ų114.469%0.6959%0.587SS**Hα-helixtrans-70.7-35.5176.2-72.1-22.4000112.7D325 F330 L331D325-D327 PolarHBondContact O-N 3.03Å; D327-F330 WeakPolarHBondContact O-CB 3.39Å; D327-F330 PolarHBondContact O-N 2.86Å; D327-L331 PolarHBondContact O-N 3.25Å
328D77.2Confident72.4Confident68 Ų68113.7 Ų113.736%0.36458%0.58SS.*Hα-helixtrans-74.2-37.9177.6-74.2-21.7000111.1L324 D325 F330 L331 V332L324-D328 HydrophobicContact CB-CB 3.87Å; L324-D328 HydrophobicContact CD2-CB 3.98Å; L324-D328 HydrophobicContact CG-CB 4.33Å; D325-D328 WeakPolarHBondContact O-CA 3.14Å; D325-D328 WeakPolarHBondContact O-CB 3.5Å; D325-D328 PolarHBondContact O-N 2.91Å; D328-F330 PolarHBondContact O-N 3.37Å; D328-L331 PolarHBondContact O-N 2.84Å; D328-V332 WeakPolarHBondContact O-CG2 3.34Å; D328-V332 PolarHBondContact O-N 3.38Å
329E81.8Confident73.9Confident117 Ų117111.3 Ų111.355%0.54757%0.565SS.*Hα-helixtrans-58-38.2170.8-69.7-166.6166.400111.7L324 D325 V332 K333L324-E329 HydrophobicContact CB-CG 4.34Å; D325-E329 PolarHBondContact O-N 3.44Å; D325-E329 VanDerWaalsContact O-N 3.08Å; E329-V332 PolarHBondContact O-N 3.45Å; E329-K333 VanDerWaalsContact O-CB 3.23Å; E329-K333 WeakPolarHBondContact O-CB 2.89Å; E329-K333 PolarHBondContact O-N 2.86Å
330F85.2Confident75.5Confident135 Ų135108.2 Ų108.259%0.59256%0.558SS**Hα-helixtrans-63.9-43.6176.3-179.1-96.1000112.2E326 D327 D328 K333 L334E326-F330 PolarHBondContact O-N 2.88Å; D327-F330 WeakPolarHBondContact O-CB 3.39Å; D327-F330 PolarHBondContact O-N 2.86Å; D328-F330 PolarHBondContact O-N 3.37Å; F330-K333 PolarHBondContact O-N 3.15Å; F330-L334 HydrophobicContact CE1-CD1 4.49Å; F330-L334 PolarHBondContact O-N 3.46Å
331L83.4Confident77.1Confident106 Ų106112.6 Ų112.656%0.55557%0.568SS**Hα-helixtrans-63-43.5176.4-81157.4000112.2D327 D328 L334 N335D327-L331 PolarHBondContact O-N 3.25Å; D328-L331 PolarHBondContact O-N 2.84Å; L331-L334 PolarHBondContact O-N 3.41Å; L331-N335 PolarHBondContact O-N 3.19Å
332V83.9Confident77.9Confident69 Ų69109.5 Ų109.542%0.41855%0.551SS.*Hα-helixtrans-62.8-43.6175.3172.50000110.8L324 D328 E329 L334 N335 N336L324-V332 HydrophobicContact CD1-CG2 4.14Å; D328-V332 WeakPolarHBondContact O-CG2 3.34Å; D328-V332 PolarHBondContact O-N 3.38Å; E329-V332 PolarHBondContact O-N 3.45Å; V332-L334 VanDerWaalsContact C-N 3.32Å; V332-L334 PolarHBondContact O-N 3.43Å; V332-N335 PolarHBondContact O-N 3.44Å; V332-N336 WeakPolarHBondContact O-CB 3.39Å; V332-N336 VanDerWaalsContact O-CG 3.29Å; V332-N336 PolarHBondContact O-N 2.81Å; V332-N336 PolarHBondContact O-ND2 3.23Å
333K84.9Confident78.6Confident154 Ų154108.2 Ų108.267%0.6754%0.54SS*.Hα-helixtrans-62.1-38.2176.4-174.1176.5-177.5177.10112.3E329 F330 L337E329-K333 VanDerWaalsContact O-CB 3.23Å; E329-K333 WeakPolarHBondContact O-CB 2.89Å; E329-K333 PolarHBondContact O-N 2.86Å; F330-K333 PolarHBondContact O-N 3.15Å; K333-L337 WeakPolarHBondContact O-CB 3.24Å; K333-L337 PolarHBondContact O-N 3.15Å
334L84.5Confident79.2Confident67 Ų67107.6 Ų107.635%0.35155%0.546SS..Hα-helixtrans-65.1-47.9175.8-145.1-171.2000110.9F330 L331 V332 N336 L337 E338F330-L334 HydrophobicContact CE1-CD1 4.49Å; F330-L334 PolarHBondContact O-N 3.46Å; L331-L334 PolarHBondContact O-N 3.41Å; V332-L334 VanDerWaalsContact C-N 3.32Å; V332-L334 PolarHBondContact O-N 3.43Å; L334-N336 VanDerWaalsContact C-N 3.34Å; L334-N336 PolarHBondContact O-N 2.96Å; L334-L337 WeakPolarHBondContact O-CB 3.38Å; L334-L337 PolarHBondContact O-N 2.96Å; L334-L337 VanDerWaalsContact O-N 3.15Å; L334-E338 HydrophobicContact CD2-CG 3.91Å; L334-E338 PolarHBondContact O-N 2.85Å
335N81.8Confident79.8Confident84 Ų84108.9 Ų108.945%0.44955%0.553SS.*Hα-helixtrans-60-44.2177.5-171.3-12.2000111.5L331 V332 L337 E338 Q339L331-N335 PolarHBondContact O-N 3.19Å; V332-N335 PolarHBondContact O-N 3.44Å; N335-L337 VanDerWaalsContact C-N 3.32Å; N335-L337 PolarHBondContact O-N 3.21Å; N335-E338 PolarHBondContact O-N 3.05Å; N335-Q339 WeakPolarHBondContact O-CG 3.19Å; N335-Q339 PolarHBondContact O-N 2.87Å; N335-Q339 PolarHBondContact OD1-NE2 2.83Å
336N87Confident79.2Confident93 Ų93105.6 Ų105.650%0.49755%0.547SS..Hα-helixtrans-62.5-37.7176.2-71.7-20.6000112.4V332 L334 G340V332-N336 WeakPolarHBondContact O-CB 3.39Å; V332-N336 VanDerWaalsContact O-CG 3.29Å; V332-N336 PolarHBondContact O-N 2.81Å; V332-N336 PolarHBondContact O-ND2 3.23Å; L334-N336 VanDerWaalsContact C-N 3.34Å; L334-N336 PolarHBondContact O-N 2.96Å; N336-G340 PolarHBondContact O-N 2.83Å
337L87.6Confident78.2Confident129 Ų129101.2 Ų101.268%0.67553%0.532SS*.Hα-helixtrans-64.5-43.1173.9-178.466.8000111.7K333 L334 N335 G340 R341K333-L337 WeakPolarHBondContact O-CB 3.24Å; K333-L337 PolarHBondContact O-N 3.15Å; L334-L337 WeakPolarHBondContact O-CB 3.38Å; L334-L337 PolarHBondContact O-N 2.96Å; L334-L337 VanDerWaalsContact O-N 3.15Å; N335-L337 VanDerWaalsContact C-N 3.32Å; N335-L337 PolarHBondContact O-N 3.21Å; L337-G340 PolarHBondContact O-N 3.38Å; L337-R341 PolarHBondContact O-N 3.17Å
338E81.7Confident77.5Confident115 Ų115101.2 Ų101.254%0.53753%0.532SS..Hα-helixtrans-64.8-43.3176.4-71.9-172.8165.700112.2L334 N335 R341 L342L334-E338 HydrophobicContact CD2-CG 3.91Å; L334-E338 PolarHBondContact O-N 2.85Å; N335-E338 PolarHBondContact O-N 3.05Å; E338-R341 WeakPolarHBondContact O-CB 3.35Å; E338-R341 PolarHBondContact O-N 3.23Å; E338-R341 VanDerWaalsContact O-N 3.14Å; E338-L342 PolarHBondContact O-N 3.28Å
339Q80.1Confident76.4Confident87 Ų87102.4 Ų102.441%0.40754%0.542SS..Hα-helixtrans-62.5-42.6174.7-72.3-176.742.100111.8N335 R341 L342 Q343N335-Q339 WeakPolarHBondContact O-CG 3.19Å; N335-Q339 PolarHBondContact O-N 2.87Å; N335-Q339 PolarHBondContact OD1-NE2 2.83Å; Q339-R341 VanDerWaalsContact C-N 3.26Å; Q339-R341 PolarHBondContact O-N 3.13Å; Q339-L342 PolarHBondContact O-N 3.33Å; Q339-Q343 WeakPolarHBondContact O-CG 3.05Å; Q339-Q343 PolarHBondContact O-N 3.2Å
340G82.3Confident74.9Confident39 Ų39100 Ų10040%0.40255%0.548SS..Hα-helixtrans-59.9-37.5173.100000112.2N336 L337 S344N336-G340 PolarHBondContact O-N 2.83Å; L337-G340 PolarHBondContact O-N 3.38Å; G340-S344 WeakPolarHBondContact O-CB 3.35Å; G340-S344 PolarHBondContact O-N 3.31Å
341R81.2Confident73Confident179 Ų17998.6 Ų98.668%0.67555%0.55SS**Hα-helixtrans-66.5-41.4174.7-157.9-179.792.9148.73.6112.2L337 E338 Q339 S344 L345L337-R341 PolarHBondContact O-N 3.17Å; E338-R341 WeakPolarHBondContact O-CB 3.35Å; E338-R341 PolarHBondContact O-N 3.23Å; E338-R341 VanDerWaalsContact O-N 3.14Å; Q339-R341 VanDerWaalsContact C-N 3.26Å; Q339-R341 PolarHBondContact O-N 3.13Å; R341-S344 PolarHBondContact O-N 3.03Å; R341-L345 WeakPolarHBondContact O-CG 2.66Å; R341-L345 PolarHBondContact O-N 3.05Å
342L70.6Confident71.3Confident74 Ų7499.6 Ų99.639%0.38756%0.561SS.*Hα-helixtrans-67.7-39.3177.5-73.1175.4000112.5E338 Q339 L345 G346 V347E338-L342 PolarHBondContact O-N 3.28Å; Q339-L342 PolarHBondContact O-N 3.33Å; L342-L345 PolarHBondContact O-N 2.69Å; L342-G346 PolarHBondContact O-N 3.38Å; L342-V347 PolarHBondContact O-N 3.05Å; L342-V347 VanDerWaalsContact O-N 3.08Å
343Q72Confident69.5Low131 Ų131105.5 Ų105.561%0.61258%0.581SS**Hα-helixtrans-65.3-40.5173.3-72-178.525.200111.8Q339 L345 G346Q339-Q343 WeakPolarHBondContact O-CG 3.05Å; Q339-Q343 PolarHBondContact O-N 3.2Å; Q343-L345 VanDerWaalsContact C-N 3.29Å; Q343-L345 PolarHBondContact O-N 2.96Å; Q343-G346 PolarHBondContact O-N 3.11Å
344S75Confident67.6Low108 Ų108105.3 Ų105.376%0.75559%0.587SS**Hα-helixtrans-61.3-36.4174-179.40000112.5G340 R341 G346G340-S344 WeakPolarHBondContact O-CB 3.35Å; G340-S344 PolarHBondContact O-N 3.31Å; R341-S344 PolarHBondContact O-N 3.03Å; S344-G346 PolarHBondContact O-N 2.92Å
345L71.9Confident65.7Low113 Ų113110.2 Ų110.259%0.59261%0.608SS**THydrogen-bonded Turntrans-74.83.5173.3-70.9170.4000113.7R341 L342 Q343 V347R341-L345 WeakPolarHBondContact O-CG 2.66Å; R341-L345 PolarHBondContact O-N 3.05Å; L342-L345 PolarHBondContact O-N 2.69Å; Q343-L345 VanDerWaalsContact C-N 3.29Å; Q343-L345 PolarHBondContact O-N 2.96Å; L345-V347 HydrophobicContact CB-CG2 4.17Å; L345-V347 PolarHBondContact O-N 3.44Å
346G61.5Low64.2Low51 Ų51116 Ų11653%0.52663%0.629SS.*THydrogen-bonded Turntrans67.117.1179.200000113.7L342 Q343 S344 N348L342-G346 PolarHBondContact O-N 3.38Å; Q343-G346 PolarHBondContact O-N 3.11Å; S344-G346 PolarHBondContact O-N 2.92Å; G346-N348 PolarHBondContact O-N 2.78Å
347V57.3Low62.6Low77 Ų77116.5 Ų116.547%0.46764%0.635SS.*  trans-81.190.7175.9-174.90000107.2L342 L345 T349L342-V347 PolarHBondContact O-N 3.05Å; L342-V347 VanDerWaalsContact O-N 3.08Å; L345-V347 HydrophobicContact CB-CG2 4.17Å; L345-V347 PolarHBondContact O-N 3.44Å; V347-T349 PolarHBondContact O-N 3.01Å
348N55.6Low61.3Low129 Ų129118.9 Ų118.969%0.6964%0.643SS**  trans-63.198.4177-70.52.1000110.1G346 G350 V351G346-N348 PolarHBondContact O-N 2.78Å; N348-G350 PolarHBondContact O-N 3.23Å; N348-V351 HydrophobicContact CB-CG2 4.28Å
349T56Low60.4Low94 Ų94122 Ų12258%0.57766%0.657SS**THydrogen-bonded Turntrans-72.4-3.5174.451.30000113.3V347V347-T349 PolarHBondContact O-N 3.01Å
350G48.6Very low59.8Low66 Ų66128.5 Ų128.568%0.6868%0.678SS**THydrogen-bonded Turntrans-85.60.2-179.200000116.5N348 T352N348-G350 PolarHBondContact O-N 3.23Å; G350-T352 VanDerWaalsContact C-N 3.28Å; G350-T352 PolarHBondContact O-N 3.4Å; G350-T352 VanDerWaalsContact O-N 3.09Å
351V46.3Very low59.1Low105 Ų105135.4 Ų135.464%0.63670%0.697SS**  trans-88.962-178.2-1650000111N348N348-V351 HydrophobicContact CB-CG2 4.28Å
352T47.4Very low58.6Low128 Ų128132.7 Ų132.779%0.78569%0.692SS**  trans-109.610.2171.8520000113.5G350 L354G350-T352 VanDerWaalsContact C-N 3.28Å; G350-T352 PolarHBondContact O-N 3.4Å; G350-T352 VanDerWaalsContact O-N 3.09Å; T352-L354 VanDerWaalsContact C-N 3.35Å; T352-L354 PolarHBondContact O-N 3.22Å
353K46.6Very low58.8Low192 Ų192136 Ų13684%0.83571%0.706SS**  trans-94.664.4165.9-107177.5-179.5173.90110.6H355K353-H355 PolarHBondContact O-N 2.84Å; K353-H355 VanDerWaalsContact O-N 3.16Å
354L44.2Very low59Low151 Ų151139.1 Ų139.179%0.79172%0.721SS**  trans-69.2109.8164.5-73.6170.4000107.7T352 K356T352-L354 VanDerWaalsContact C-N 3.35Å; T352-L354 PolarHBondContact O-N 3.22Å; L354-K356 PolarHBondContact O-N 2.88Å
355H46.1Very low59Low169 Ų169138.6 Ų138.678%0.78271%0.709SS**  trans-50.5125167.3-73.9-92.8000108.8K353 T357K353-H355 PolarHBondContact O-N 2.84Å; K353-H355 VanDerWaalsContact O-N 3.16Å; H355-T357 VanDerWaalsContact C-N 3.28Å; H355-T357 PolarHBondContact O-N 3.41Å
356K50.3Low59.1Low205 Ų205140.2 Ų140.289%0.89171%0.711SS**  trans-63.989.3173.4-75.8175177.7176.80108.3L354 E358L354-K356 PolarHBondContact O-N 2.88Å; K356-E358 PolarHBondContact O-N 3.14Å
357T51.9Low59.9Low104 Ų104147 Ų14764%0.63873%0.729SS**  trans-78.2111.2169.652.80000108.1H355 H359H355-T357 VanDerWaalsContact C-N 3.28Å; H355-T357 PolarHBondContact O-N 3.41Å; T357-H359 PolarHBondContact O-N 3.43Å
358E60.9Low61.1Low180 Ų180149.8 Ų149.884%0.84174%0.736SS**  trans-70.236.8-179.7-62170.8177.800113.1K356K356-E358 PolarHBondContact O-N 3.14Å
359H61.9Low62.4Low179 Ų179150.7 Ų150.783%0.82974%0.739SS**  trans-100.218.4-179.3-66.2-62.2000113.1T357T357-H359 PolarHBondContact O-N 3.43Å
360R68.2Low63.8Low224 Ų224152.8 Ų152.885%0.84574%0.74SS**SBendtrans-114.4108.4178.1-138.5148.5145.5-167.1-8.7107E362R360-E362 PolarHBondContact O-N 2.86Å
361F69Low65.6Low184 Ų184154.7 Ų154.781%0.80774%0.743SS**  trans-36.9111.8176.5-174.2-95.9000109.7E363F361-E363 HydrophobicContact CD1-CG 4.25Å; F361-E363 HydrophobicContact CE1-CG 4.2Å; F361-E363 PolarHBondContact O-N 3.37Å
362E69.5Low67.4Low123 Ų123158.6 Ų158.658%0.57575%0.747SS**  trans-80.8116.5174.2-54.3-163.4136.900106.6R360 E364 K366R360-E362 PolarHBondContact O-N 2.86Å; E362-E364 PolarHBondContact O-N 2.8Å; E362-K366 VanDerWaalsContact CD-NZ 3.26Å; E362-K366 IonicContact OE1-NZ 3.61Å; E362-K366 PolarHBondContact OE1-NZ 3.16Å; E362-K366 IonicContact OE2-NZ 2.69Å
363E75.4Confident69.3Low143 Ų143156.9 Ų156.967%0.66874%0.739SS**  trans-66.1133.6168.6-70.9-178.4173.100108.4F361 D365 K366F361-E363 HydrophobicContact CD1-CG 4.25Å; F361-E363 HydrophobicContact CE1-CG 4.2Å; F361-E363 PolarHBondContact O-N 3.37Å; E363-D365 PolarHBondContact O-N 3.06Å; E363-K366 PolarHBondContact O-N 3.14Å
364E75.4Confident70.6Confident197 Ų197159.7 Ų159.792%0.92174%0.744SS**THydrogen-bonded Turntrans-54.4-24.2-175.7-63.7179.9164.300112.8E362 K366E362-E364 PolarHBondContact O-N 2.8Å; E364-K366 PolarHBondContact O-N 3.47Å
365D75Confident72Confident97 Ų97157.4 Ų157.452%0.51974%0.736SS.*THydrogen-bonded Turntrans-96.425.3-175.6-69.7-19.1000113.8E363 E367 F368E363-D365 PolarHBondContact O-N 3.06Å; D365-E367 PolarHBondContact O-N 3.34Å; D365-F368 HydrophobicContact CB-CB 4.14Å; D365-F368 WeakPolarHBondContact O-CA 3.35Å; D365-F368 PolarHBondContact O-N 3.24Å
366K74.6Confident73.5Confident146 Ų146153.7 Ų153.764%0.63572%0.721SS**THydrogen-bonded Turntrans-50-32.6-176.8-123.4-179-171.3-178.30114.5E362 E363 E364E362-K366 VanDerWaalsContact CD-NZ 3.26Å; E362-K366 IonicContact OE1-NZ 3.61Å; E362-K366 PolarHBondContact OE1-NZ 3.16Å; E362-K366 IonicContact OE2-NZ 2.69Å; E363-K366 PolarHBondContact O-N 3.14Å; E364-K366 PolarHBondContact O-N 3.47Å
367E78.6Confident74.6Confident194 Ų194153 Ų15391%0.90772%0.721SS**THydrogen-bonded Turntrans-89.3-17.7178.5-61.1-176.8176.300113.1D365 I369D365-E367 PolarHBondContact O-N 3.34Å; E367-I369 PolarHBondContact O-N 3.44Å
368F81.8Confident75.7Confident136 Ų136154.7 Ų154.760%0.59673%0.726SS**  trans-91.796.3-178.1-174.4-101.9000111D365 K370D365-F368 HydrophobicContact CB-CB 4.14Å; D365-F368 WeakPolarHBondContact O-CA 3.35Å; D365-F368 PolarHBondContact O-N 3.24Å; F368-K370 HydrophobicContact CD1-CG 4.28Å; F368-K370 HydrophobicContact CE1-CG 4.03Å; F368-K370 PolarHBondContact O-N 3.44Å
369I83.8Confident75.8Confident148 Ų148148.8 Ų148.876%0.75971%0.705SS**  trans-68.7104.9172.3-56.4172.6000108.5E367 S371E367-I369 PolarHBondContact O-N 3.44Å; I369-S371 PolarHBondContact O-N 3.26Å
370K84.3Confident76Confident138 Ų138148.8 Ų148.860%0.671%0.709SS**  trans-57.4103167.1-94.5172.9179.9162.20109.7F368F368-K370 HydrophobicContact CD1-CG 4.28Å; F368-K370 HydrophobicContact CE1-CG 4.03Å; F368-K370 PolarHBondContact O-N 3.44Å
371S86.4Confident75.6Confident106 Ų106140.1 Ų140.174%0.74169%0.69SS**PPolyproline II helixtrans-94.8124.7171.465.10000110.1I369I369-S371 PolarHBondContact O-N 3.26Å
372Y84.9Confident75Confident186 Ų186140.8 Ų140.873%0.72970%0.695SS**PPolyproline II helixtrans-91139171.1-58-82.1000109.6R374Y372-R374 PolarHBondContact O-N 3.31Å
373P85.9Confident74.4Confident93 Ų93138.7 Ų138.760%0.60469%0.691SS**PPolyproline II helixtrans-60.9127.7175.925.2-32.7000109.6V375P373-V375 PolarHBondContact O-N 3.48Å
374R75.7Confident73.5Confident250 Ų250140.3 Ų140.394%0.94370%0.703SS**SBendtrans-63.2-25.1179.1-61.9-176.7-172.2-172.32.2112.3Y372Y372-R374 PolarHBondContact O-N 3.31Å
375V72.5Confident72.5Confident104 Ų104136.4 Ų136.463%0.6370%0.696SS**SBendtrans-114.4117.6178.2-176.90000108P373P373-V375 PolarHBondContact O-N 3.48Å
376I78Confident71.7Confident91 Ų91136.9 Ų136.947%0.46770%0.703SS.*  trans-103.9108-179.6-61.1172.4000106N378 S379I376-N378 WeakPolarHBondContact CG2-OD1 3.39Å; I376-N378 PolarHBondContact O-N 3.21Å; I376-S379 WeakPolarHBondContact O-CB 3.37Å; I376-S379 PolarHBondContact O-N 3.46Å
377E72.5Confident71Confident190 Ų190137.4 Ų137.489%0.88871%0.705SS**THydrogen-bonded Turntrans-61.3-26.8-176.4-64.7-174.4166.700112.8
378N76Confident70.8Confident139 Ų139131.2 Ų131.274%0.74368%0.683SS**THydrogen-bonded Turntrans-93.46.5177.952.6-29.1000114.1I376 I380I376-N378 WeakPolarHBondContact CG2-OD1 3.39Å; I376-N378 PolarHBondContact O-N 3.21Å; N378-I380 PolarHBondContact O-N 3.2Å
379S63.5Low70.7Confident56 Ų56129 Ų12939%0.39267%0.673SS.*  trans-75.6123.9174.4-1760000110.2I376 G381I376-S379 WeakPolarHBondContact O-CB 3.37Å; I376-S379 PolarHBondContact O-N 3.46Å; S379-G381 PolarHBondContact O-N 3.04Å; S379-G381 PolarHBondContact OG-N 3.38Å; S379-G381 VanDerWaalsContact OG-N 3.14Å
380I64.6Low70.6Confident180 Ų180132 Ų13292%0.92368%0.675SS**  trans-70.7-7.4170.8-56.6163.3000110.5N378N378-I380 PolarHBondContact O-N 3.2Å
381G60.8Low70.5Confident42 Ų42127.2 Ų127.243%0.43366%0.661SS.*SBendtrans-66.6140.7171.700000111.9S379 T383S379-G381 PolarHBondContact O-N 3.04Å; S379-G381 PolarHBondContact OG-N 3.38Å; S379-G381 VanDerWaalsContact OG-N 3.14Å; G381-T383 PolarHBondContact O-N 3.44Å
382Q56.7Low70.4Confident197 Ų197127.3 Ų127.392%0.92165%0.65SS**  trans-40.3102.1-174.2-79.3173.8-6.100113.2
383T56.2Low70.6Confident80 Ų80124.1 Ų124.149%0.49164%0.636SS.*  trans-67141.117355.10000109.2G381 C385 V386G381-T383 PolarHBondContact O-N 3.44Å; T383-C385 PolarHBondContact O-N 3.04Å; T383-V386 PolarHBondContact O-N 2.88Å
384L56.1Low70.7Confident176 Ų176128.7 Ų128.792%0.92164%0.642SS**THydrogen-bonded Turntrans-58.8-0.7-177.9-72.6163.8000114.7
385C54.8Low71.2Confident116 Ų116122.3 Ų122.378%0.78462%0.623SS**THydrogen-bonded Turntrans-98.57.9-178.5-1620000113.8T383T383-C385 PolarHBondContact O-N 3.04Å
386V58.3Low71.9Confident107 Ų107120 Ų12065%0.64861%0.614SS**SBendtrans-91.5104.9163-175.80000107T383 S388T383-V386 PolarHBondContact O-N 2.88Å; V386-S388 PolarHBondContact O-N 2.99Å
387K60.2Low72.4Confident157 Ų157122.1 Ų122.168%0.68362%0.62SS**  trans-45.8110.5172.1-72.6178.9-179173.30107.6K389K387-K389 PolarHBondContact O-N 3.27Å
388S73.8Confident73.1Confident63 Ų63117.9 Ų117.944%0.44160%0.602SS.*  trans-59.5143.5-171.969.60000109.5V386 R390 A391 E392V386-S388 PolarHBondContact O-N 2.99Å; S388-R390 PolarHBondContact O-N 2.78Å; S388-A391 WeakPolarHBondContact O-CA 3.12Å; S388-A391 WeakPolarHBondContact O-CB 3.45Å; S388-A391 PolarHBondContact O-N 2.96Å; S388-A391 PolarHBondContact OG-N 3.43Å; S388-E392 PolarHBondContact O-N 3.35Å
389K80.4Confident73.7Confident91 Ų91116 Ų11640%0.39659%0.589SS.*Hα-helixtrans-50.5-22.8171.9-166.4177-165.8178.40113.2K387 R393 N564 N565K387-K389 PolarHBondContact O-N 3.27Å; K389-R393 WeakPolarHBondContact O-CG 3.37Å; K389-R393 PolarHBondContact O-N 3.43Å; K389-N564 PolarHBondContact NZ-O 3.4Å; K389-N565 WeakPolarHBondContact CE-OD1 3.4Å; K389-N565 PolarHBondContact NZ-ND2 2.9Å; K389-N565 VanDerWaalsContact NZ-ND2 3.14Å; K389-N565 PolarHBondContact NZ-OD1 3.06Å
390R80.9Confident74.9Confident210 Ų210122.3 Ų122.379%0.79260%0.604SS**Hα-helixtrans-73.2-42.6173.8179.5-178.7-86.4-169.3-5112.1S388 R393 R394S388-R390 PolarHBondContact O-N 2.78Å; R390-R393 PolarHBondContact O-N 2.8Å; R390-R394 PolarHBondContact O-N 3.26Å
391A83.2Confident76.2Confident38 Ų38119.6 Ų119.631%0.31459%0.586SS.*Hα-helixtrans-61.6-43.5177.200000111.4S388 R393 R394 Q395S388-A391 WeakPolarHBondContact O-CA 3.12Å; S388-A391 WeakPolarHBondContact O-CB 3.45Å; S388-A391 PolarHBondContact O-N 2.96Å; S388-A391 PolarHBondContact OG-N 3.43Å; A391-R393 PolarHBondContact O-N 3.23Å; A391-R394 WeakPolarHBondContact O-CB 3.35Å; A391-R394 PolarHBondContact O-N 3.33Å; A391-R394 VanDerWaalsContact O-N 3.17Å; A391-Q395 WeakPolarHBondContact O-CG 3.38Å; A391-Q395 PolarHBondContact O-N 2.83Å
392E83.7Confident77.5Confident107 Ų107126.6 Ų126.650%0.560%0.599SS.*Hα-helixtrans-61.9-43.3175.7-64.1177.2166.600112.2S388 R394 Q395 A396S388-E392 PolarHBondContact O-N 3.35Å; E392-R394 VanDerWaalsContact C-N 3.28Å; E392-R394 PolarHBondContact O-N 2.89Å; E392-Q395 PolarHBondContact O-N 3.02Å; E392-A396 WeakPolarHBondContact O-CB 3.3Å; E392-A396 PolarHBondContact O-N 2.92Å
393R88.8Confident78.9Confident119 Ų119123 Ų12345%0.44958%0.581SS.*Hα-helixtrans-62.3-34.6175.1-76.4177.6179.6169.74.5112.7K389 R390 A391 K397 N564 N565K389-R393 WeakPolarHBondContact O-CG 3.37Å; K389-R393 PolarHBondContact O-N 3.43Å; R390-R393 PolarHBondContact O-N 2.8Å; A391-R393 PolarHBondContact O-N 3.23Å; R393-K397 PolarHBondContact O-N 3.47Å; R393-K397 VanDerWaalsContact O-N 3.14Å; R393-N564 PolarHBondContact NH2-O 3.03Å; R393-N565 PolarHBondContact NH2-OD1 2.7Å
394R88.6Confident80.5Confident190 Ų190125.2 Ų125.272%0.71759%0.585SS**Hα-helixtrans-67.7-45.5175.2-171.6177.7178176.2-0.8110.4R390 A391 E392 K397 I398R390-R394 PolarHBondContact O-N 3.26Å; A391-R394 WeakPolarHBondContact O-CB 3.35Å; A391-R394 PolarHBondContact O-N 3.33Å; A391-R394 VanDerWaalsContact O-N 3.17Å; E392-R394 VanDerWaalsContact C-N 3.28Å; E392-R394 PolarHBondContact O-N 2.89Å; R394-K397 WeakPolarHBondContact O-CB 3.25Å; R394-K397 PolarHBondContact O-N 2.8Å; R394-I398 HydrophobicContact CG-CD1 4.26Å; R394-I398 WeakPolarHBondContact O-CG1 3.39Å; R394-I398 PolarHBondContact O-N 2.67Å
395Q84.9Confident81.7Confident116 Ų116123 Ų12354%0.54257%0.568SS.*Hα-helixtrans-61.6-44.8176.3-70.4173.8-8.100112A391 E392 K397 I398 E399A391-Q395 WeakPolarHBondContact O-CG 3.38Å; A391-Q395 PolarHBondContact O-N 2.83Å; E392-Q395 PolarHBondContact O-N 3.02Å; Q395-K397 VanDerWaalsContact C-N 3.28Å; Q395-K397 PolarHBondContact O-N 3.25Å; Q395-I398 PolarHBondContact O-N 3.16Å; Q395-I398 VanDerWaalsContact O-N 3.14Å; Q395-E399 PolarHBondContact O-N 3.2Å
396A87.4Confident83.3Confident55 Ų55122.5 Ų122.546%0.45556%0.555SS.*Hα-helixtrans-61.6-34.2175.800000112.9E392 R400E392-A396 WeakPolarHBondContact O-CB 3.3Å; E392-A396 PolarHBondContact O-N 2.92Å; A396-R400 WeakPolarHBondContact O-CB 3.32Å; A396-R400 PolarHBondContact O-N 3.43Å
397K89.6Confident84.8Confident136 Ų136120 Ų12059%0.59155%0.545SS*.Hα-helixtrans-69.1-41.5174.5-173.1179.3178.8-177.10111.7R393 R394 Q395 R400 K401R393-K397 PolarHBondContact O-N 3.47Å; R393-K397 VanDerWaalsContact O-N 3.14Å; R394-K397 WeakPolarHBondContact O-CB 3.25Å; R394-K397 PolarHBondContact O-N 2.8Å; Q395-K397 VanDerWaalsContact C-N 3.28Å; Q395-K397 PolarHBondContact O-N 3.25Å; K397-R400 PolarHBondContact O-N 3.09Å; K397-K401 PolarHBondContact O-N 2.93Å
398I86.2Confident86.1Confident100 Ų100119.7 Ų119.751%0.51354%0.543SS..Hα-helixtrans-63-47.3176.1-67.6165.1000109.9R394 Q395 R400 K401 R402R394-I398 HydrophobicContact CG-CD1 4.26Å; R394-I398 WeakPolarHBondContact O-CG1 3.39Å; R394-I398 PolarHBondContact O-N 2.67Å; Q395-I398 PolarHBondContact O-N 3.16Å; Q395-I398 VanDerWaalsContact O-N 3.14Å; I398-R400 PolarHBondContact O-N 3.21Å; I398-K401 PolarHBondContact O-N 2.88Å; I398-R402 WeakPolarHBondContact O-CB 2.87Å; I398-R402 PolarHBondContact O-N 3.35Å
399E88Confident86.8Confident101 Ų101122 Ų12247%0.47255%0.55SS..Hα-helixtrans-62-42.8178.4-167.8-168.3161.800111.9Q395 K401 R402 K403Q395-E399 PolarHBondContact O-N 3.2Å; E399-K401 PolarHBondContact O-N 3.21Å; E399-R402 PolarHBondContact O-N 3.06Å; E399-K403 WeakPolarHBondContact O-CG 3.45Å; E399-K403 PolarHBondContact O-N 2.95Å; E399-K403 WeakPolarHBondContact OE1-CE 3.36Å; E399-K403 IonicContact OE1-NZ 3.35Å; E399-K403 PolarHBondContact OE1-NZ 3.18Å
400R89.9Confident87.1Confident187 Ų187123.2 Ų123.271%0.70656%0.557SS**Hα-helixtrans-58-49.5174.2179.6-178.2171.5-165.3-5111.7A396 K397 I398 R402 K403 E404A396-R400 WeakPolarHBondContact O-CB 3.32Å; A396-R400 PolarHBondContact O-N 3.43Å; K397-R400 PolarHBondContact O-N 3.09Å; I398-R400 PolarHBondContact O-N 3.21Å; R400-R402 VanDerWaalsContact C-N 3.32Å; R400-R402 PolarHBondContact O-N 3.48Å; R400-K403 PolarHBondContact O-N 3.02Å; R400-E404 PolarHBondContact O-N 3.37Å
401K91.2Very high87.4Confident124 Ų124117.8 Ų117.854%0.53954%0.541SS..Hα-helixtrans-63.1-38.4178.1-76.6-171.6169.7-163.10111.8K397 I398 E399 E404 K405K397-K401 PolarHBondContact O-N 2.93Å; I398-K401 PolarHBondContact O-N 2.88Å; E399-K401 PolarHBondContact O-N 3.21Å; K401-E404 PolarHBondContact O-N 3.43Å; K401-K405 WeakPolarHBondContact O-CG 3.29Å; K401-K405 PolarHBondContact O-N 3.04Å
402R88.4Confident87.6Confident189 Ų189119.8 Ų119.871%0.71355%0.546SS*.Hα-helixtrans-62.3-44.9175.7-175.8178.4178.5155.21.3111.7I398 E399 R400 K405 Q406I398-R402 WeakPolarHBondContact O-CB 2.87Å; I398-R402 PolarHBondContact O-N 3.35Å; E399-R402 PolarHBondContact O-N 3.06Å; R400-R402 VanDerWaalsContact C-N 3.32Å; R400-R402 PolarHBondContact O-N 3.48Å; R402-K405 PolarHBondContact O-N 2.9Å; R402-Q406 WeakPolarHBondContact O-CB 3.35Å; R402-Q406 PolarHBondContact O-N 3.39Å
403K86.1Confident87.7Confident121 Ų121117.5 Ų117.553%0.52654%0.539SS..Hα-helixtrans-63.4-40.4175.7-72.2178.5-176.5171.60112.1E399 R400 Q406 A407E399-K403 WeakPolarHBondContact O-CG 3.45Å; E399-K403 PolarHBondContact O-N 2.95Å; E399-K403 WeakPolarHBondContact OE1-CE 3.36Å; E399-K403 IonicContact OE1-NZ 3.35Å; E399-K403 PolarHBondContact OE1-NZ 3.18Å; R400-K403 PolarHBondContact O-N 3.02Å; K403-Q406 PolarHBondContact O-N 3.26Å; K403-A407 WeakPolarHBondContact O-CB 3.45Å; K403-A407 PolarHBondContact O-N 3.36Å
404E89.3Confident87.5Confident126 Ų126119.5 Ų119.559%0.58955%0.547SS*.Hα-helixtrans-63.6-45.1175.2-173.4177.2172.500112R400 K401 Q406 A407 K408R400-E404 PolarHBondContact O-N 3.37Å; K401-E404 PolarHBondContact O-N 3.43Å; E404-Q406 PolarHBondContact O-N 3.25Å; E404-A407 PolarHBondContact O-N 2.82Å; E404-K408 WeakPolarHBondContact O-CB 3.35Å; E404-K408 PolarHBondContact O-N 3.29Å
405K82.9Confident87.5Confident130 Ų130114.7 Ų114.757%0.56554%0.535SS*.Hα-helixtrans-60.4-43.8173.3-74.3-170.1174-163.70111.4K401 R402 K408 L409 D477K401-K405 WeakPolarHBondContact O-CG 3.29Å; K401-K405 PolarHBondContact O-N 3.04Å; R402-K405 PolarHBondContact O-N 2.9Å; K405-K408 PolarHBondContact O-N 3.24Å; K405-L409 PolarHBondContact O-N 2.81Å; K405-D477 IonicContact NZ-OD2 2.79Å; K405-D477 PolarHBondContact NZ-OD2 3.47Å
406Q87Confident87.4Confident106 Ų106115.6 Ų115.650%0.49553%0.534SS..Hα-helixtrans-64.5-42.4178.3-173.71782.300112.5R402 K403 E404 K408 L409 Q410R402-Q406 WeakPolarHBondContact O-CB 3.35Å; R402-Q406 PolarHBondContact O-N 3.39Å; K403-Q406 PolarHBondContact O-N 3.26Å; E404-Q406 PolarHBondContact O-N 3.25Å; Q406-K408 VanDerWaalsContact C-N 3.35Å; Q406-L409 PolarHBondContact O-N 3.34Å; Q406-Q410 WeakPolarHBondContact O-CG 3.47Å; Q406-Q410 PolarHBondContact O-N 2.89Å
407A89.5Confident87.3Confident53 Ų53117.1 Ų117.144%0.43853%0.534SS..Hα-helixtrans-63.3-40.9175.400000111.7K403 E404 L409 Q410 E411K403-A407 WeakPolarHBondContact O-CB 3.45Å; K403-A407 PolarHBondContact O-N 3.36Å; E404-A407 PolarHBondContact O-N 2.82Å; A407-L409 VanDerWaalsContact C-N 3.33Å; A407-L409 PolarHBondContact O-N 3.06Å; A407-Q410 PolarHBondContact O-N 3.48Å; A407-E411 PolarHBondContact O-N 3.43Å
408K89Confident87.2Confident151 Ų151114.9 Ų114.966%0.65753%0.528SS*.Hα-helixtrans-63.3-39.7174.8-170.1176.6-178-179.30111.9E404 K405 Q406 E411 L412E404-K408 WeakPolarHBondContact O-CB 3.35Å; E404-K408 PolarHBondContact O-N 3.29Å; K405-K408 PolarHBondContact O-N 3.24Å; Q406-K408 VanDerWaalsContact C-N 3.35Å; K408-E411 PolarHBondContact O-N 2.84Å; K408-L412 WeakPolarHBondContact O-CG 3.48Å; K408-L412 PolarHBondContact O-N 3.22Å
409L87.4Confident87.3Confident111 Ų111116.8 Ų116.858%0.58153%0.532SS*.Hα-helixtrans-65.5-44.4175.9-173.2126.3000111.7K405 Q406 A407 E411 L412 T413K405-L409 PolarHBondContact O-N 2.81Å; Q406-L409 PolarHBondContact O-N 3.34Å; A407-L409 VanDerWaalsContact C-N 3.33Å; A407-L409 PolarHBondContact O-N 3.06Å; L409-E411 VanDerWaalsContact C-N 3.32Å; L409-E411 PolarHBondContact O-N 3.14Å; L409-L412 PolarHBondContact O-N 3.12Å; L409-T413 PolarHBondContact O-N 3.34Å; L409-T413 PolarHBondContact O-OG1 2.81Å; L409-T413 VanDerWaalsContact O-OG1 3.09Å
410Q88Confident87.3Confident118 Ų118113.7 Ų113.755%0.55152%0.519SS*.Hα-helixtrans-60-41174.9-73.6174.6-24.300112.2Q406 A407 T413 R414Q406-Q410 WeakPolarHBondContact O-CG 3.47Å; Q406-Q410 PolarHBondContact O-N 2.89Å; A407-Q410 PolarHBondContact O-N 3.48Å; Q410-T413 PolarHBondContact O-N 3.08Å; Q410-R414 WeakPolarHBondContact O-CB 3.46Å; Q410-R414 PolarHBondContact O-N 2.92Å
411E86.1Confident86.8Confident95 Ų95108.1 Ų108.144%0.44451%0.509SS..Hα-helixtrans-64.9-41.8175.4-175.458.2-159.100111.8A407 K408 L409 T413 R414 L415A407-E411 PolarHBondContact O-N 3.43Å; K408-E411 PolarHBondContact O-N 2.84Å; L409-E411 VanDerWaalsContact C-N 3.32Å; L409-E411 PolarHBondContact O-N 3.14Å; E411-T413 PolarHBondContact O-N 2.88Å; E411-R414 WeakPolarHBondContact O-CB 3.36Å; E411-R414 PolarHBondContact O-N 3.01Å; E411-L415 HydrophobicContact CG-CD1 4.36Å; E411-L415 WeakPolarHBondContact O-CG 3.47Å; E411-L415 PolarHBondContact O-N 3.01Å
412L87.7Confident86.6Confident81 Ų81108.5 Ų108.542%0.42451%0.514SS..Hα-helixtrans-62.7-41.2174.3-72.5173.3000112.1K408 L409 L415 R416K408-L412 WeakPolarHBondContact O-CG 3.48Å; K408-L412 PolarHBondContact O-N 3.22Å; L409-L412 PolarHBondContact O-N 3.12Å; L412-L415 PolarHBondContact O-N 2.66Å; L412-R416 WeakPolarHBondContact O-CG 3.26Å; L412-R416 PolarHBondContact O-N 3.23Å
413T84.9Confident86.3Confident59 Ų59102.9 Ų102.936%0.36250%0.498SS..Hα-helixtrans-62.3-44.6174.5-58.30000111.1L409 Q410 E411 L415 R416 N417L409-T413 PolarHBondContact O-N 3.34Å; L409-T413 PolarHBondContact O-OG1 2.81Å; L409-T413 VanDerWaalsContact O-OG1 3.09Å; Q410-T413 PolarHBondContact O-N 3.08Å; E411-T413 PolarHBondContact O-N 2.88Å; T413-L415 VanDerWaalsContact C-N 3.34Å; T413-L415 PolarHBondContact O-N 2.9Å; T413-R416 PolarHBondContact O-N 3.5Å; T413-N417 WeakPolarHBondContact O-CB 3.29Å; T413-N417 VanDerWaalsContact O-CG 3.23Å; T413-N417 PolarHBondContact O-N 3.49Å; T413-N417 PolarHBondContact O-OD1 3.3Å
414R85.2Confident86.1Confident160 Ų16097.7 Ų97.760%0.60448%0.477SS*.Hα-helixtrans-56.5-47173.9-178-169.6169.8108.13.2111.3Q410 E411 N417 L418Q410-R414 WeakPolarHBondContact O-CB 3.46Å; Q410-R414 PolarHBondContact O-N 2.92Å; E411-R414 WeakPolarHBondContact O-CB 3.36Å; E411-R414 PolarHBondContact O-N 3.01Å; R414-N417 PolarHBondContact O-N 3.43Å; R414-L418 HydrophobicContact CG-CD1 4.33Å; R414-L418 WeakPolarHBondContact O-CG 3.29Å; R414-L418 PolarHBondContact O-N 2.88Å
415L88.4Confident86Confident89 Ų8996.2 Ų96.247%0.46647%0.47SS..Hα-helixtrans-65.8-40.3179-71.3171.4000112.9E411 L412 T413 L418 K419E411-L415 HydrophobicContact CG-CD1 4.36Å; E411-L415 WeakPolarHBondContact O-CG 3.47Å; E411-L415 PolarHBondContact O-N 3.01Å; L412-L415 PolarHBondContact O-N 2.66Å; T413-L415 VanDerWaalsContact C-N 3.34Å; T413-L415 PolarHBondContact O-N 2.9Å; L415-L418 PolarHBondContact O-N 3.49Å; L415-K419 WeakPolarHBondContact O-CB 3.43Å; L415-K419 PolarHBondContact O-N 2.84Å
416R83.3Confident86.2Confident136 Ų13696 Ų9651%0.51347%0.47SS..Hα-helixtrans-61.8-46.3174.1-75.1-178.7-169.8163.41.8111.1L412 T413 L418 K419 L420L412-R416 WeakPolarHBondContact O-CG 3.26Å; L412-R416 PolarHBondContact O-N 3.23Å; T413-R416 PolarHBondContact O-N 3.5Å; R416-L418 VanDerWaalsContact C-N 3.34Å; R416-L418 PolarHBondContact O-N 3.32Å; R416-K419 PolarHBondContact O-N 2.79Å; R416-K419 VanDerWaalsContact O-N 3.14Å; R416-L420 WeakPolarHBondContact O-CG 3.14Å; R416-L420 PolarHBondContact O-N 2.92Å
417N85.8Confident86Confident87 Ų8792.7 Ų92.747%0.46546%0.455SS..Hα-helixtrans-61.9-41.6178-68.4-3.8000111.7T413 R414 L420 S421T413-N417 WeakPolarHBondContact O-CB 3.29Å; T413-N417 VanDerWaalsContact O-CG 3.23Å; T413-N417 PolarHBondContact O-N 3.49Å; T413-N417 PolarHBondContact O-OD1 3.3Å; R414-N417 PolarHBondContact O-N 3.43Å; N417-L420 PolarHBondContact O-N 3.5Å; N417-S421 WeakPolarHBondContact O-CB 3.34Å; N417-S421 PolarHBondContact O-N 2.66Å
418L87.1Confident85.7Confident88 Ų8894.1 Ų94.146%0.46145%0.452SS..Hα-helixtrans-61.8-43.1173.1-73.5174000111.9R414 L415 R416 S421 M422R414-L418 HydrophobicContact CG-CD1 4.33Å; R414-L418 WeakPolarHBondContact O-CG 3.29Å; R414-L418 PolarHBondContact O-N 2.88Å; L415-L418 PolarHBondContact O-N 3.49Å; R416-L418 VanDerWaalsContact C-N 3.34Å; R416-L418 PolarHBondContact O-N 3.32Å; L418-S421 PolarHBondContact O-N 3.49Å; L418-M422 WeakPolarHBondContact O-CG 3.16Å; L418-M422 PolarHBondContact O-N 3.35Å
419K88.3Confident85.4Confident140 Ų14093.7 Ų93.761%0.60945%0.447SS*.Hα-helixtrans-64.3-41.1176.7-171.3179.5-179.7-177.30112L415 R416 M422 L423L415-K419 WeakPolarHBondContact O-CB 3.43Å; L415-K419 PolarHBondContact O-N 2.84Å; R416-K419 PolarHBondContact O-N 2.79Å; R416-K419 VanDerWaalsContact O-N 3.14Å; K419-M422 PolarHBondContact O-N 2.96Å; K419-L423 HydrophobicContact CG-CD1 4.46Å; K419-L423 WeakPolarHBondContact O-CB 3.25Å; K419-L423 WeakPolarHBondContact O-CG 2.97Å; K419-L423 PolarHBondContact O-N 3.06Å
420L87.4Confident85Confident36 Ų3691.5 Ų91.519%0.18844%0.435CS..Hα-helixtrans-62.8-42.8175.1-71.3176.8000111.4R416 N417 L423 A424 Q450R416-L420 WeakPolarHBondContact O-CG 3.14Å; R416-L420 PolarHBondContact O-N 2.92Å; N417-L420 PolarHBondContact O-N 3.5Å; L420-L423 PolarHBondContact O-N 3Å; L420-A424 WeakPolarHBondContact O-CB 3.48Å; L420-A424 PolarHBondContact O-N 2.83Å; L420-Q450 HydrophobicContact CD1-CB 4.36Å
421S80.7Confident84.6Confident71 Ų7188.2 Ų88.250%0.49742%0.419SS..Hα-helixtrans-61.1-44.4173.9176.40000112N417 L418 L423 A424 E425N417-S421 WeakPolarHBondContact O-CB 3.34Å; N417-S421 PolarHBondContact O-N 2.66Å; L418-S421 PolarHBondContact O-N 3.49Å; S421-L423 PolarHBondContact O-N 3.45Å; S421-A424 PolarHBondContact O-N 3.48Å; S421-E425 PolarHBondContact O-N 3.2Å
422M86.5Confident84.2Confident131 Ų13191.4 Ų91.465%0.64543%0.427SS*.Hα-helixtrans-63-40.4175-72-177.474.300112.6L418 K419 E425 K426L418-M422 WeakPolarHBondContact O-CG 3.16Å; L418-M422 PolarHBondContact O-N 3.35Å; K419-M422 PolarHBondContact O-N 2.96Å; M422-E425 PolarHBondContact O-N 3.03Å; M422-K426 WeakPolarHBondContact O-CB 3.44Å; M422-K426 PolarHBondContact O-N 2.92Å
423L80.8Confident83.9Confident72 Ų7292.7 Ų92.738%0.37744%0.438SS..Hα-helixtrans-65.7-41.1175.8-74.1176.1000111.4K419 L420 S421 K426 I427K419-L423 HydrophobicContact CG-CD1 4.46Å; K419-L423 WeakPolarHBondContact O-CB 3.25Å; K419-L423 WeakPolarHBondContact O-CG 2.97Å; K419-L423 PolarHBondContact O-N 3.06Å; L420-L423 PolarHBondContact O-N 3Å; S421-L423 PolarHBondContact O-N 3.45Å; L423-K426 PolarHBondContact O-N 3.45Å; L423-I427 WeakPolarHBondContact O-CB 3.32Å; L423-I427 VanDerWaalsContact O-CG1 3.32Å; L423-I427 WeakPolarHBondContact O-CG1 3.44Å; L423-I427 PolarHBondContact O-N 3.32Å
424A83.4Confident83.5Confident11 Ų1193.5 Ų93.59%0.09145%0.445CS..Hα-helixtrans-62.4-43.6175.900000112L420 S421 K426 I427 E428 I447L420-A424 WeakPolarHBondContact O-CB 3.48Å; L420-A424 PolarHBondContact O-N 2.83Å; S421-A424 PolarHBondContact O-N 3.48Å; A424-K426 VanDerWaalsContact C-N 3.34Å; A424-K426 PolarHBondContact O-N 3.04Å; A424-I427 PolarHBondContact O-N 2.78Å; A424-E428 WeakPolarHBondContact O-CB 3.37Å; A424-E428 PolarHBondContact O-N 3.41Å; A424-I447 HydrophobicContact CB-CD1 3.87Å; A424-I447 HydrophobicContact CB-CG1 4.48Å
425E87.5Confident82.5Confident95 Ų9587.4 Ų87.444%0.44443%0.433SS..Hα-helixtrans-62.8-41174.3-165.6-159.2145.800111.4S421 M422 E428 R429S421-E425 PolarHBondContact O-N 3.2Å; M422-E425 PolarHBondContact O-N 3.03Å; E425-E428 PolarHBondContact O-N 3Å; E425-R429 WeakPolarHBondContact O-CB 3.49Å; E425-R429 PolarHBondContact O-N 3.45Å; E425-R429 IonicContact OE1-CZ 3.02Å; E425-R429 IonicContact OE1-NH2 2.66Å; E425-R429 PolarHBondContact OE1-NH2 3.26Å
426K87Confident81.3Confident127 Ų12790.4 Ų90.455%0.55246%0.457SS*.Hα-helixtrans-63.5-43.1175.7-175.1175.6-179.31780111.7M422 L423 A424 R429 I430M422-K426 WeakPolarHBondContact O-CB 3.44Å; M422-K426 PolarHBondContact O-N 2.92Å; L423-K426 PolarHBondContact O-N 3.45Å; A424-K426 VanDerWaalsContact C-N 3.34Å; A424-K426 PolarHBondContact O-N 3.04Å; K426-R429 WeakPolarHBondContact O-CB 3.48Å; K426-R429 PolarHBondContact O-N 3.22Å; K426-I430 HydrophobicContact CG-CD1 4.22Å; K426-I430 VanDerWaalsContact O-CG1 3.29Å; K426-I430 WeakPolarHBondContact O-CG1 3.37Å; K426-I430 PolarHBondContact O-N 2.86Å
427I82.4Confident80.1Confident36 Ų3687.5 Ų87.519%0.18547%0.469CS..Hα-helixtrans-61.6-46.1175.3-75.1165.5000110.3L423 A424 R429 I430 K431 L440 S443 L446L423-I427 WeakPolarHBondContact O-CB 3.32Å; L423-I427 VanDerWaalsContact O-CG1 3.32Å; L423-I427 WeakPolarHBondContact O-CG1 3.44Å; L423-I427 PolarHBondContact O-N 3.32Å; A424-I427 PolarHBondContact O-N 2.78Å; I427-R429 VanDerWaalsContact C-N 3.3Å; I427-R429 PolarHBondContact O-N 3.46Å; I427-I430 WeakPolarHBondContact O-CB 3.4Å; I427-I430 PolarHBondContact O-N 2.87Å; I427-I430 VanDerWaalsContact O-N 3.15Å; I427-K431 HydrophobicContact CG2-CD 4.45Å; I427-K431 WeakPolarHBondContact O-CG 3.49Å; I427-K431 PolarHBondContact O-N 3.21Å; I427-L440 HydrophobicContact CG2-CD2 4.1Å; I427-S443 WeakPolarHBondContact CG2-OG 3.5Å; I427-L446 HydrophobicContact CD1-CD2 4.2Å
428E82.4Confident78.8Confident82 Ų8285.2 Ų85.238%0.38346%0.46SS..Hα-helixtrans-62.7-38.7178.2-163.2-160.4-169.800111.7A424 E425 K431 R432A424-E428 WeakPolarHBondContact O-CB 3.37Å; A424-E428 PolarHBondContact O-N 3.41Å; E425-E428 PolarHBondContact O-N 3Å; E428-K431 PolarHBondContact O-N 3.03Å; E428-R432 VanDerWaalsContact CG-NH1 3.33Å; E428-R432 WeakPolarHBondContact O-CG 3.44Å; E428-R432 PolarHBondContact O-N 3.45Å; E428-R432 IonicContact OE1-CZ 2.79Å; E428-R432 IonicContact OE1-NH1 3.19Å; E428-R432 IonicContact OE1-NH2 3.16Å; E428-R432 PolarHBondContact OE1-NH2 3.37Å; E428-R432 IonicContact OE2-CZ 3.98Å; E428-R432 IonicContact OE2-NH1 2.76Å; E428-R432 PolarHBondContact OE2-NH1 3.2Å; E428-R432 IonicContact OE2-NH2 3.11Å; E428-R432 PolarHBondContact OE2-NH2 2.91Å; E428-R432 VanDerWaalsContact OE2-NH2 3.16Å
429R83.4Confident77.3Confident143 Ų14389.6 Ų89.654%0.5448%0.483SS..Hα-helixtrans-62.5-43.4173.2-163.3-178.9-59.1161.21.9111.7E425 K426 I427 R432 T433E425-R429 WeakPolarHBondContact O-CB 3.49Å; E425-R429 PolarHBondContact O-N 3.45Å; E425-R429 IonicContact OE1-CZ 3.02Å; E425-R429 IonicContact OE1-NH2 2.66Å; E425-R429 PolarHBondContact OE1-NH2 3.26Å; K426-R429 WeakPolarHBondContact O-CB 3.48Å; K426-R429 PolarHBondContact O-N 3.22Å; I427-R429 VanDerWaalsContact C-N 3.3Å; I427-R429 PolarHBondContact O-N 3.46Å; R429-R432 PolarHBondContact O-N 3.12Å; R429-T433 PolarHBondContact O-N 2.79Å; R429-T433 VanDerWaalsContact O-N 3.11Å; R429-T433 PolarHBondContact O-OG1 2.92Å
430I79.6Confident75.8Confident64 Ų6486.6 Ų86.633%0.32847%0.473SS..Hα-helixtrans-62.7-42.6174.6-68164.7000110.6K426 I427 R432 T433 C434 L440K426-I430 HydrophobicContact CG-CD1 4.22Å; K426-I430 VanDerWaalsContact O-CG1 3.29Å; K426-I430 WeakPolarHBondContact O-CG1 3.37Å; K426-I430 PolarHBondContact O-N 2.86Å; I427-I430 WeakPolarHBondContact O-CB 3.4Å; I427-I430 PolarHBondContact O-N 2.87Å; I427-I430 VanDerWaalsContact O-N 3.15Å; I430-R432 VanDerWaalsContact C-N 3.31Å; I430-R432 PolarHBondContact O-N 3.03Å; I430-T433 WeakPolarHBondContact CA-OG1 3.48Å; I430-T433 PolarHBondContact O-N 3.13Å; I430-T433 VanDerWaalsContact O-N 3.13Å; I430-T433 PolarHBondContact O-OG1 2.66Å; I430-C434 VanDerWaalsContact O-CB 3.25Å; I430-C434 WeakPolarHBondContact O-CB 3.33Å; I430-C434 PolarHBondContact O-N 3.27Å; I430-C434 PolarHBondContact O-SG 3.16Å; I430-C434 VanDerWaalsContact O-SG 3.41Å; I430-L440 HydrophobicContact CG2-CD2 4.41Å
431K77.9Confident74.5Confident49 Ų4989.9 Ų89.921%0.21349%0.491CS..Hα-helixtrans-58.5-42.9175.6-72.7-174.9-180-160.50111.8I427 E428 T433 L440 L441 D442I427-K431 HydrophobicContact CG2-CD 4.45Å; I427-K431 WeakPolarHBondContact O-CG 3.49Å; I427-K431 PolarHBondContact O-N 3.21Å; E428-K431 PolarHBondContact O-N 3.03Å; K431-T433 VanDerWaalsContact C-N 3.32Å; K431-T433 PolarHBondContact O-N 3.15Å; K431-L440 WeakPolarHBondContact CE-O 3.41Å; K431-L440 PolarHBondContact NZ-O 2.93Å; K431-L441 WeakPolarHBondContact CE-O 3.37Å; K431-L441 PolarHBondContact NZ-O 3.42Å; K431-D442 IonicContact NZ-OD1 3.51Å; K431-D442 PolarHBondContact NZ-OD1 3.24Å
432R78.7Confident73.6Confident162 Ų16291.6 Ų91.661%0.61149%0.494SS*.Hα-helixtrans-61.7-38.6175.4-70.5179.2-177.3103.9-2.8112.4E428 R429 I430E428-R432 VanDerWaalsContact CG-NH1 3.33Å; E428-R432 WeakPolarHBondContact O-CG 3.44Å; E428-R432 PolarHBondContact O-N 3.45Å; E428-R432 IonicContact OE1-CZ 2.79Å; E428-R432 IonicContact OE1-NH1 3.19Å; E428-R432 IonicContact OE1-NH2 3.16Å; E428-R432 PolarHBondContact OE1-NH2 3.37Å; E428-R432 IonicContact OE2-CZ 3.98Å; E428-R432 IonicContact OE2-NH1 2.76Å; E428-R432 PolarHBondContact OE2-NH1 3.2Å; E428-R432 IonicContact OE2-NH2 3.11Å; E428-R432 PolarHBondContact OE2-NH2 2.91Å; E428-R432 VanDerWaalsContact OE2-NH2 3.16Å; R429-R432 PolarHBondContact O-N 3.12Å; I430-R432 VanDerWaalsContact C-N 3.31Å; I430-R432 PolarHBondContact O-N 3.03Å
433T81.7Confident72.4Confident109 Ų10986.1 Ų86.167%0.66947%0.469SS*.Hα-helixtrans-82.8-32.4-178.754.70000113.8R429 I430 K431 G435R429-T433 PolarHBondContact O-N 2.79Å; R429-T433 VanDerWaalsContact O-N 3.11Å; R429-T433 PolarHBondContact O-OG1 2.92Å; I430-T433 WeakPolarHBondContact CA-OG1 3.48Å; I430-T433 PolarHBondContact O-N 3.13Å; I430-T433 VanDerWaalsContact O-N 3.13Å; I430-T433 PolarHBondContact O-OG1 2.66Å; K431-T433 VanDerWaalsContact C-N 3.32Å; K431-T433 PolarHBondContact O-N 3.15Å; T433-G435 VanDerWaalsContact C-N 3.27Å; T433-G435 PolarHBondContact O-N 2.96Å
434C75.7Confident71.6Confident75 Ų7588 Ų8851%0.50748%0.479SS..SBendtrans-83.95.3-173.3-72.60000114.4I430I430-C434 VanDerWaalsContact O-CB 3.25Å; I430-C434 WeakPolarHBondContact O-CB 3.33Å; I430-C434 PolarHBondContact O-N 3.27Å; I430-C434 PolarHBondContact O-SG 3.16Å; I430-C434 VanDerWaalsContact O-SG 3.41Å
435G65.2Low70.8Confident33 Ų3392.7 Ų92.734%0.3450%0.499SS..  trans71.5165.6178.200000113.9T433 G437 S438T433-G435 VanDerWaalsContact C-N 3.27Å; T433-G435 PolarHBondContact O-N 2.96Å; G435-G437 PolarHBondContact O-N 2.79Å; G435-S438 PolarHBondContact O-N 2.86Å
436P61.8Low69.6Low152 Ų15290.9 Ų90.999%0.98749%0.492SS*.THydrogen-bonded Turntrans-65.70.3-168-20.132.2000116.4
437G58Low68.4Low74 Ų7487.5 Ų87.576%0.76348%0.48SS*.THydrogen-bonded Turntrans-102.51.618000000114.7G435 L439G435-G437 PolarHBondContact O-N 2.79Å; G437-L439 PolarHBondContact O-N 2.89Å
438S58.6Low67.6Low40 Ų4090.5 Ų90.528%0.2849%0.493SS..  trans-73.798.7178.5-175.40000110.2G435 L440G435-S438 PolarHBondContact O-N 2.86Å; S438-L440 PolarHBondContact O-N 3.33Å
439L56.9Low66.6Low179 Ų17989 Ų8994%0.93749%0.491SS*.  trans-66.943.8173.7-164.8108.8000111.9G437G437-L439 PolarHBondContact O-N 2.89Å
440L57.1Low65.3Low77 Ų7786.9 Ų86.940%0.40349%0.487SS..  trans-86.5124.1174.9-134.776.9000107.8I427 I430 K431 S438I427-L440 HydrophobicContact CG2-CD2 4.1Å; I430-L440 HydrophobicContact CG2-CD2 4.41Å; K431-L440 WeakPolarHBondContact CE-O 3.41Å; K431-L440 PolarHBondContact NZ-O 2.93Å; S438-L440 PolarHBondContact O-N 3.33Å
441L59.8Low64.3Low106 Ų10687.6 Ų87.656%0.55550%0.495SS*.  trans-42.6146.7-178.7-163.165.4000112.7K431 S443 E445K431-L441 WeakPolarHBondContact CE-O 3.37Å; K431-L441 PolarHBondContact NZ-O 3.42Å; L441-S443 PolarHBondContact O-N 3.48Å; L441-E445 WeakPolarHBondContact CD1-OE2 3.39Å
442D61.4Low63.1Low107 Ų10791.6 Ų91.657%0.57251%0.512SS*.  trans-63.5130.6-177.4-94.4-9.6000112.3K431 N444 E445 L446K431-D442 IonicContact NZ-OD1 3.51Å; K431-D442 PolarHBondContact NZ-OD1 3.24Å; D442-N444 PolarHBondContact O-N 3.17Å; D442-N444 VanDerWaalsContact O-N 3.1Å; D442-E445 HydrophobicContact CB-CB 4.34Å; D442-E445 WeakPolarHBondContact O-CB 3.24Å; D442-E445 PolarHBondContact O-N 2.98Å; D442-L446 PolarHBondContact O-N 3.22Å
443S61.1Low61.8Low15 Ų1589.9 Ų89.911%0.10551%0.511CS..Hα-helixtrans-56.8-30.8-176.2-50.50000111.8I427 L441 I447I427-S443 WeakPolarHBondContact CG2-OG 3.5Å; L441-S443 PolarHBondContact O-N 3.48Å; S443-I447 WeakPolarHBondContact O-CG1 3.36Å; S443-I447 PolarHBondContact O-N 3.36Å
444N64.2Low60.2Low112 Ų11292.3 Ų92.360%0.59951%0.509SS*.Hα-helixtrans-72.1-36176.9-64.2-8.7000111.5D442 L446 I447 E448D442-N444 PolarHBondContact O-N 3.17Å; D442-N444 VanDerWaalsContact O-N 3.1Å; N444-L446 PolarHBondContact O-N 3.03Å; N444-I447 PolarHBondContact O-N 3.14Å; N444-E448 WeakPolarHBondContact O-CB 3.42Å; N444-E448 WeakPolarHBondContact O-CG 3.43Å; N444-E448 PolarHBondContact O-N 3.05Å
445E66Low58.9Low109 Ų10996.1 Ų96.151%0.50953%0.525SS..Hα-helixtrans-69.1-33.5-179.8-159.6175.3-170.700111.9L441 D442 S449L441-E445 WeakPolarHBondContact CD1-OE2 3.39Å; D442-E445 HydrophobicContact CB-CB 4.34Å; D442-E445 WeakPolarHBondContact O-CB 3.24Å; D442-E445 PolarHBondContact O-N 2.98Å; E445-S449 VanDerWaalsContact O-CB 3.31Å; E445-S449 WeakPolarHBondContact O-CB 3.46Å; E445-S449 PolarHBondContact O-N 3.16Å; E445-S449 PolarHBondContact O-OG 3.4Å
446L62.5Low57.9Low57 Ų5799 Ų9930%0.29854%0.54SS..Hα-helixtrans-66.2-40.8172.5-163.988.9000112.1I427 D442 N444 S449 Q450I427-L446 HydrophobicContact CD1-CD2 4.2Å; D442-L446 PolarHBondContact O-N 3.22Å; N444-L446 PolarHBondContact O-N 3.03Å; L446-S449 WeakPolarHBondContact CA-OG 3.35Å; L446-S449 PolarHBondContact O-OG 2.87Å; L446-S449 VanDerWaalsContact O-OG 3.12Å; L446-Q450 WeakPolarHBondContact O-CB 3.45Å; L446-Q450 WeakPolarHBondContact O-CG 3.49Å; L446-Q450 PolarHBondContact O-N 2.88Å
447I62.8Low57.1Low57 Ų5797.8 Ų97.829%0.29253%0.525SS..Hα-helixtrans-68.7-43.7177.5-64.9169000109.9A424 S443 N444 T451A424-I447 HydrophobicContact CB-CD1 3.87Å; A424-I447 HydrophobicContact CB-CG1 4.48Å; S443-I447 WeakPolarHBondContact O-CG1 3.36Å; S443-I447 PolarHBondContact O-N 3.36Å; N444-I447 PolarHBondContact O-N 3.14Å; I447-T451 HydrophobicContact CG2-CG2 4.36Å; I447-T451 WeakPolarHBondContact O-CB 3.36Å; I447-T451 VanDerWaalsContact O-CG2 3.26Å; I447-T451 WeakPolarHBondContact O-CG2 3.47Å; I447-T451 PolarHBondContact O-N 2.89Å; I447-T451 PolarHBondContact O-OG1 3.46Å
448E63.9Low56.4Low99 Ų99101.7 Ų101.746%0.46353%0.528SS..Hα-helixtrans-68.2-40.6-179.8-76.7-171.2-151.600113.5N444 T451 K452N444-E448 WeakPolarHBondContact O-CB 3.42Å; N444-E448 WeakPolarHBondContact O-CG 3.43Å; N444-E448 PolarHBondContact O-N 3.05Å; E448-T451 WeakPolarHBondContact CA-OG1 3.45Å; E448-T451 PolarHBondContact O-OG1 3.49Å; E448-K452 WeakPolarHBondContact O-CB 3.41Å; E448-K452 WeakPolarHBondContact O-CD 3.34Å; E448-K452 VanDerWaalsContact O-CG 3.23Å; E448-K452 WeakPolarHBondContact O-CG 3.33Å; E448-K452 PolarHBondContact O-N 3.28Å; E448-K452 VanDerWaalsContact O-N 3.09Å; E448-K452 IonicContact OE2-NZ 2.66Å; E448-K452 PolarHBondContact OE2-NZ 3.38Å
449S62.5Low55.6Low49 Ų49107.6 Ų107.634%0.34356%0.557SS.*Hα-helixtrans-64.3-45.117750.20000111.7E445 L446 K452 E453E445-S449 VanDerWaalsContact O-CB 3.31Å; E445-S449 WeakPolarHBondContact O-CB 3.46Å; E445-S449 PolarHBondContact O-N 3.16Å; E445-S449 PolarHBondContact O-OG 3.4Å; L446-S449 WeakPolarHBondContact CA-OG 3.35Å; L446-S449 PolarHBondContact O-OG 2.87Å; L446-S449 VanDerWaalsContact O-OG 3.12Å; S449-K452 PolarHBondContact O-N 2.76Å; S449-E453 WeakPolarHBondContact O-CG 3.41Å; S449-E453 PolarHBondContact O-N 2.98Å; S449-E453 VanDerWaalsContact O-N 3.09Å
450Q55.7Low55Low99 Ų99106.7 Ų106.746%0.46355%0.545SS..Hα-helixtrans-72.2-31.4-180-73.9-74.8-62.900113.6L420 L446L420-Q450 HydrophobicContact CD1-CB 4.36Å; L446-Q450 WeakPolarHBondContact O-CB 3.45Å; L446-Q450 WeakPolarHBondContact O-CG 3.49Å; L446-Q450 PolarHBondContact O-N 2.88Å
451T58.1Low54Low79 Ų79110 Ų11049%0.48556%0.562SS.*Hα-helixtrans-73.6-31.9175.648.30000112.3I447 E448I447-T451 HydrophobicContact CG2-CG2 4.36Å; I447-T451 WeakPolarHBondContact O-CB 3.36Å; I447-T451 VanDerWaalsContact O-CG2 3.26Å; I447-T451 WeakPolarHBondContact O-CG2 3.47Å; I447-T451 PolarHBondContact O-N 2.89Å; I447-T451 PolarHBondContact O-OG1 3.46Å; E448-T451 WeakPolarHBondContact CA-OG1 3.45Å; E448-T451 PolarHBondContact O-OG1 3.49Å
452K54.1Low53.1Low133 Ų133113.4 Ų113.458%0.57857%0.573SS**Hα-helixtrans-79.7-27.1177.7-69.3168.4-172.8162.60113E448 S449 Y454E448-K452 WeakPolarHBondContact O-CB 3.41Å; E448-K452 WeakPolarHBondContact O-CD 3.34Å; E448-K452 VanDerWaalsContact O-CG 3.23Å; E448-K452 WeakPolarHBondContact O-CG 3.33Å; E448-K452 PolarHBondContact O-N 3.28Å; E448-K452 VanDerWaalsContact O-N 3.09Å; E448-K452 IonicContact OE2-NZ 2.66Å; E448-K452 PolarHBondContact OE2-NZ 3.38Å; S449-K452 PolarHBondContact O-N 2.76Å; K452-Y454 PolarHBondContact O-N 2.86Å
453E50Low52.1Low126 Ų126116.1 Ų116.159%0.58959%0.587SS**Hα-helixtrans-73.7-18.6-177.7-81.8-170.7171.300114.9S449S449-E453 WeakPolarHBondContact O-CG 3.41Å; S449-E453 PolarHBondContact O-N 2.98Å; S449-E453 VanDerWaalsContact O-N 3.09Å
454Y48.8Very low51.3Low161 Ų161121.3 Ų121.363%0.63162%0.623SS**THydrogen-bonded Turntrans-87.2-5.8-178.1-128.1-97.4000115.6K452K452-Y454 PolarHBondContact O-N 2.86Å
455D47.6Very low50.7Low155 Ų155121.9 Ų121.983%0.82963%0.631SS**THydrogen-bonded Turntrans-104.59.2174.5-96-13.5000113.5
456S45.5Very low50.1Low94 Ų94125 Ų12566%0.65764%0.643SS**  trans-144.467.9176.6-75.50000112.3D458S456-D458 PolarHBondContact O-N 3.24Å
457N45Very low50.1Low126 Ų126123.5 Ų123.567%0.67464%0.636SS**  trans-78.257.2169.8-75.5-49.4000112.2
458D42.9Very low50.5Low156 Ų156123.8 Ų123.883%0.83464%0.639SS**  trans-11012.1174.2-122.17.3000113.7S456S456-D458 PolarHBondContact O-N 3.24Å
459N42.3Very low50.8Low163 Ų163125.2 Ų125.287%0.87265%0.654SS**  trans-114.331.3-178.4-84.2-21.8000115.1L461N459-L461 PolarHBondContact O-N 3.26Å
460K43Very low51.3Low160 Ų160128 Ų12870%0.69666%0.664SS**  trans-96.665.7169.1-157.5179.3-170.1-174.30110.9D468K460-D468 WeakPolarHBondContact CE-OD2 3.41Å; K460-D468 IonicContact NZ-OD2 3.4Å; K460-D468 PolarHBondContact NZ-OD2 2.69Å
461L36.1Very low52.1Low146 Ų146126.4 Ų126.476%0.76466%0.659SS**  trans-117.4127165.2-163.969.1000108.2N459N459-L461 PolarHBondContact O-N 3.26Å
462K41.9Very low53Low179 Ų179124.4 Ų124.478%0.77865%0.646SS**SBendtrans92.475.7169.9-48.4171.6-170.2175.40116.2
463N40.9Very low54.1Low163 Ų163120.5 Ų120.587%0.87264%0.639SS**  trans-167.382.7134.2-95.94.8000108T465N463-T465 VanDerWaalsContact C-N 3.34Å; N463-T465 PolarHBondContact O-N 3.24Å; N463-T465 VanDerWaalsContact O-N 3.13Å
464S42.5Very low55.5Low124 Ų124119.5 Ų119.587%0.86763%0.634SS**THydrogen-bonded Turntrans-83.941.1-164.152.20000115.3
465T52.2Low57Low124 Ų124113.4 Ų113.476%0.76161%0.61SS**THydrogen-bonded Turntrans-148.213.4-179.7-36.60000114.4N463N463-T465 VanDerWaalsContact C-N 3.34Å; N463-T465 PolarHBondContact O-N 3.24Å; N463-T465 VanDerWaalsContact O-N 3.13Å
466K54.1Low58.6Low174 Ų174112.3 Ų112.376%0.75760%0.604SS**  trans-128.4105.1175.1-156.7170.7-173.3177.30108.4D468K466-D468 PolarHBondContact O-N 3.19Å; K466-D468 VanDerWaalsContact O-N 3.16Å
467V62.8Low60.3Low26 Ų26113.5 Ų113.516%0.15860%0.603CS.*  trans-58.3116.8164.2178.20000106.5D471 V472 L488 S491 M492V467-D471 HydrophobicContact CG1-CB 3.97Å; V467-V472 HydrophobicContact CG1-CG2 3.87Å; V467-L488 HydrophobicContact CG1-CD1 3.68Å; V467-L488 HydrophobicContact CG2-CD1 4.5Å; V467-S491 VanDerWaalsContact CG2-CB 3.4Å; V467-S491 WeakPolarHBondContact CG2-OG 3.37Å; V467-M492 HydrophobicContact CB-CG 3.98Å; V467-M492 HydrophobicContact CG1-CE 4.26Å; V467-M492 HydrophobicContact CG1-CG 4.09Å; V467-M492 HydrophobicContact CG2-CG 3.85Å
468D70.1Confident62.1Low64 Ų64112 Ų11234%0.34259%0.592SS.*  trans-74.4150178.4-80.2-34.9000109.1K460 K466 L470 D471K460-D468 WeakPolarHBondContact CE-OD2 3.41Å; K460-D468 IonicContact NZ-OD2 3.4Å; K460-D468 PolarHBondContact NZ-OD2 2.69Å; K466-D468 PolarHBondContact O-N 3.19Å; K466-D468 VanDerWaalsContact O-N 3.16Å; D468-L470 PolarHBondContact O-N 3.13Å; D468-D471 PolarHBondContact N-OD2 3.31Å; D468-D471 WeakPolarHBondContact O-CB 3.45Å; D468-D471 PolarHBondContact O-N 2.69Å
469V71.8Confident64.2Low128 Ų128111.9 Ų111.978%0.77659%0.591SS**Hα-helixtrans-52.6-26.4175.8178.50000111.9A473V469-A473 PolarHBondContact O-N 3.25Å
470L71.8Confident66.5Low108 Ų108112.9 Ų112.957%0.56558%0.583SS**Hα-helixtrans-68.5-41.1176.6-169.562000112.6D468 V472 A473 E474D468-L470 PolarHBondContact O-N 3.13Å; L470-V472 VanDerWaalsContact C-N 3.27Å; L470-V472 PolarHBondContact O-N 2.88Å; L470-A473 PolarHBondContact O-N 3.45Å; L470-A473 VanDerWaalsContact O-N 3.12Å; L470-E474 WeakPolarHBondContact O-CG 3.47Å; L470-E474 PolarHBondContact O-N 2.86Å
471D72.7Confident68.7Low66 Ų66108 Ų10835%0.35357%0.565SS.*Hα-helixtrans-65.1-35.6-179.2-56.6-25.8000110.7V467 D468 Y475V467-D471 HydrophobicContact CG1-CB 3.97Å; D468-D471 PolarHBondContact N-OD2 3.31Å; D468-D471 WeakPolarHBondContact O-CB 3.45Å; D468-D471 PolarHBondContact O-N 2.69Å; D471-Y475 WeakPolarHBondContact O-CB 3.42Å; D471-Y475 PolarHBondContact O-N 3.49Å
472V77.6Confident71.1Confident36 Ų36104.5 Ų104.522%0.21855%0.55CS.*Hα-helixtrans-66.7-42.6173.7-170.90000111.3V467 L470 Y475 L476 M492V467-V472 HydrophobicContact CG1-CG2 3.87Å; L470-V472 VanDerWaalsContact C-N 3.27Å; L470-V472 PolarHBondContact O-N 2.88Å; V472-Y475 PolarHBondContact O-N 3.14Å; V472-L476 HydrophobicContact CG1-CD1 4.36Å; V472-L476 VanDerWaalsContact O-CG 3.32Å; V472-L476 WeakPolarHBondContact O-CG 3.16Å; V472-L476 PolarHBondContact O-N 3.37Å; V472-M492 HydrophobicContact CB-CE 4.38Å; V472-M492 HydrophobicContact CG1-CE 4.27Å; V472-M492 HydrophobicContact CG2-CE 3.2Å; V472-M492 HydrophobicContact CG2-SD 4.45Å
473A77.3Confident73.3Confident51 Ų51103.4 Ų103.442%0.42155%0.548SS..Hα-helixtrans-68.2-37.4-179.200000112V469 L470 D477V469-A473 PolarHBondContact O-N 3.25Å; L470-A473 PolarHBondContact O-N 3.45Å; L470-A473 VanDerWaalsContact O-N 3.12Å; A473-D477 PolarHBondContact O-N 3.34Å
474E78.4Confident75.5Confident106 Ų106100.1 Ų100.150%0.49553%0.526SS..Hα-helixtrans-66.5-43.7173.3-70.1-177.7-173.600110.9L470 L476 D477 E478L470-E474 WeakPolarHBondContact O-CG 3.47Å; L470-E474 PolarHBondContact O-N 2.86Å; E474-L476 PolarHBondContact O-N 3.02Å; E474-D477 PolarHBondContact O-N 3Å; E474-D477 VanDerWaalsContact O-N 3.15Å; E474-E478 WeakPolarHBondContact O-CG 3.41Å; E474-E478 PolarHBondContact O-N 2.92Å
475Y81.1Confident77.6Confident32 Ų3297.1 Ų97.113%0.12550%0.498CS..Hα-helixtrans-60.2-39.6176.3178.5-97.7000113.5D471 V472 D477 E478 K484 H485 L488D471-Y475 WeakPolarHBondContact O-CB 3.42Å; D471-Y475 PolarHBondContact O-N 3.49Å; V472-Y475 PolarHBondContact O-N 3.14Å; Y475-D477 VanDerWaalsContact C-N 3.26Å; Y475-D477 PolarHBondContact O-N 2.93Å; Y475-E478 PolarHBondContact O-N 3.27Å; Y475-K484 HydrophobicContact CD2-CB 4.38Å; Y475-K484 HydrophobicContact CE2-CB 3.99Å; Y475-H485 AromaticContact CE1-CD2 3.75Å; Y475-H485 HydrophobicContact CE2-CB 4.37Å; Y475-H485 AromaticContact CZ-CD2 3.59Å; Y475-H485 WeakPolarHBondContact OH-CB 3.43Å; Y475-H485 PolarHBondContact OH-CD2 3.21Å; Y475-L488 HydrophobicContact CD1-CD2 3.42Å; Y475-L488 VanDerWaalsContact CD1-CD2 3.42Å; Y475-L488 HydrophobicContact CD2-CD2 4.21Å; Y475-L488 HydrophobicContact CE1-CD2 3.96Å; Y475-L488 HydrophobicContact CG-CD2 3.6Å
476L80.4Confident79.2Confident132 Ų13297.6 Ų97.669%0.69149%0.491SS*.Hα-helixtrans-68.4-23177.9-71.2173.8000113.9V472 E474V472-L476 HydrophobicContact CG1-CD1 4.36Å; V472-L476 VanDerWaalsContact O-CG 3.32Å; V472-L476 WeakPolarHBondContact O-CG 3.16Å; V472-L476 PolarHBondContact O-N 3.37Å; E474-L476 PolarHBondContact O-N 3.02Å
477D81.6Confident80.7Confident120 Ų12097 Ų9764%0.64249%0.489SS*.Hα-helixtrans-89.7-13.7177.4-99.715.6000112.3K405 A473 E474 Y475K405-D477 IonicContact NZ-OD2 2.79Å; K405-D477 PolarHBondContact NZ-OD2 3.47Å; A473-D477 PolarHBondContact O-N 3.34Å; E474-D477 PolarHBondContact O-N 3Å; E474-D477 VanDerWaalsContact O-N 3.15Å; Y475-D477 VanDerWaalsContact C-N 3.26Å; Y475-D477 PolarHBondContact O-N 2.93Å
478E82.7Confident81.8Confident93 Ų9397 Ų9744%0.43549%0.488SS..SBendtrans-85.8155.5176.6-72.2-175176.500112.5E474 Y475 W480 K484E474-E478 WeakPolarHBondContact O-CG 3.41Å; E474-E478 PolarHBondContact O-N 2.92Å; Y475-E478 PolarHBondContact O-N 3.27Å; E478-W480 PolarHBondContact O-N 3.37Å; E478-K484 IonicContact OE1-NZ 3.21Å; E478-K484 IonicContact OE2-NZ 3.95Å; E478-K484 PolarHBondContact OE2-NZ 2.88Å
479D88.2Confident82.5Confident154 Ų15496 Ų9682%0.82448%0.482SS*.PPolyproline II helixtrans-66.6132.5173.1-72.8-29.5000108.9D481D479-D481 PolarHBondContact O-N 3Å
480W90.2Very high83.1Confident185 Ų18594.5 Ų94.570%0.70147%0.47SS*.PPolyproline II helixtrans-55119-176.1-177.285.2000111.6E478 P482E478-W480 PolarHBondContact O-N 3.37Å; W480-P482 HydrophobicContact CH2-CB 4.04Å; W480-P482 HydrophobicContact CZ2-CB 4.48Å; W480-P482 HydrophobicContact CZ3-CB 4.36Å; W480-P482 HydrophobicContact CZ3-CG 4.48Å
481D87.7Confident83.6Confident58 Ų5892.5 Ų92.531%0.3147%0.465SS..  trans-124117-179.7-178.4-2.2000108.2D479 E483 K484 H485D479-D481 PolarHBondContact O-N 3Å; D481-E483 VanDerWaalsContact C-N 3.25Å; D481-E483 PolarHBondContact O-N 3.22Å; D481-E483 PolarHBondContact OD1-N 2.99Å; D481-K484 HydrophobicContact CB-CB 4.12Å; D481-K484 HydrophobicContact CB-CD 4.13Å; D481-K484 HydrophobicContact CB-CG 4.19Å; D481-K484 PolarHBondContact O-N 3.38Å; D481-H485 WeakPolarHBondContact O-CB 3.33Å; D481-H485 PolarHBondContact O-N 3.41Å
482P87.7Confident84.1Confident71 Ų7193.4 Ų93.446%0.46147%0.468SS..Hα-helixtrans-57.1-37.4-173.221.9-33.7000112.9W480 H485 E486W480-P482 HydrophobicContact CH2-CB 4.04Å; W480-P482 HydrophobicContact CZ2-CB 4.48Å; W480-P482 HydrophobicContact CZ3-CB 4.36Å; W480-P482 HydrophobicContact CZ3-CG 4.48Å; P482-H485 WeakPolarHBondContact O-CB 3.39Å; P482-H485 PolarHBondContact O-N 3.5Å; P482-E486 PolarHBondContact O-N 3.18Å
483E87.4Confident84.4Confident157 Ų15797.4 Ų97.473%0.73448%0.483SS*.Hα-helixtrans-71.8-39.7-178.6-65.4-177.9-175.900112D481 H485 K487D481-E483 VanDerWaalsContact C-N 3.25Å; D481-E483 PolarHBondContact O-N 3.22Å; D481-E483 PolarHBondContact OD1-N 2.99Å; E483-H485 VanDerWaalsContact C-N 3.32Å; E483-K487 WeakPolarHBondContact O-CB 3.42Å; E483-K487 PolarHBondContact O-N 3.21Å; E483-K487 VanDerWaalsContact O-N 3.09Å
484K87.5Confident84.5Confident93 Ų9396.1 Ų96.140%0.40448%0.475SS..Hα-helixtrans-67.4-36.6174.5-72.3-176.5174.8-176.90111.5Y475 E478 D481 L488Y475-K484 HydrophobicContact CD2-CB 4.38Å; Y475-K484 HydrophobicContact CE2-CB 3.99Å; E478-K484 IonicContact OE1-NZ 3.21Å; E478-K484 IonicContact OE2-NZ 3.95Å; E478-K484 PolarHBondContact OE2-NZ 2.88Å; D481-K484 HydrophobicContact CB-CB 4.12Å; D481-K484 HydrophobicContact CB-CD 4.13Å; D481-K484 HydrophobicContact CB-CG 4.19Å; D481-K484 PolarHBondContact O-N 3.38Å; K484-L488 WeakPolarHBondContact O-CB 3.33Å; K484-L488 PolarHBondContact O-N 3.43Å
485H86.3Confident84.2Confident62 Ų6299 Ų9929%0.28749%0.485SS..Hα-helixtrans-63.6-50.3177.3-170-113000111.7Y475 D481 P482 E483 K487 L488 L489Y475-H485 AromaticContact CE1-CD2 3.75Å; Y475-H485 HydrophobicContact CE2-CB 4.37Å; Y475-H485 AromaticContact CZ-CD2 3.59Å; Y475-H485 WeakPolarHBondContact OH-CB 3.43Å; Y475-H485 PolarHBondContact OH-CD2 3.21Å; D481-H485 WeakPolarHBondContact O-CB 3.33Å; D481-H485 PolarHBondContact O-N 3.41Å; P482-H485 WeakPolarHBondContact O-CB 3.39Å; P482-H485 PolarHBondContact O-N 3.5Å; E483-H485 VanDerWaalsContact C-N 3.32Å; H485-K487 VanDerWaalsContact C-N 3.31Å; H485-K487 PolarHBondContact O-N 3.25Å; H485-L488 WeakPolarHBondContact O-CB 3.23Å; H485-L488 PolarHBondContact O-N 3.26Å; H485-L488 VanDerWaalsContact O-N 3.14Å; H485-L489 WeakPolarHBondContact O-CG 3.47Å; H485-L489 PolarHBondContact O-N 3.45Å
486E85Confident83.8Confident133 Ų133105.3 Ų105.362%0.62152%0.516SS*.Hα-helixtrans-59.4-43.6177.8-172.2-179.8157.200110.9P482 L488 L489 D490P482-E486 PolarHBondContact O-N 3.18Å; E486-L488 VanDerWaalsContact C-N 3.34Å; E486-L488 PolarHBondContact O-N 2.8Å; E486-L489 PolarHBondContact O-N 3.3Å; E486-D490 WeakPolarHBondContact O-CB 3.31Å; E486-D490 PolarHBondContact O-N 3.22Å
487K86.5Confident83.2Confident163 Ų163105 Ų10571%0.70951%0.507SS*.Hα-helixtrans-62.8-37.5175-170.2178-177.3179.50113.3E483 H485 S491E483-K487 WeakPolarHBondContact O-CB 3.42Å; E483-K487 PolarHBondContact O-N 3.21Å; E483-K487 VanDerWaalsContact O-N 3.09Å; H485-K487 VanDerWaalsContact C-N 3.31Å; H485-K487 PolarHBondContact O-N 3.25Å; K487-S491 VanDerWaalsContact O-CB 3.25Å; K487-S491 WeakPolarHBondContact O-CB 3.44Å; K487-S491 PolarHBondContact O-N 3.49Å
488L85.1Confident82.6Confident24 Ų24106.3 Ų106.313%0.12651%0.509CS..Hα-helixtrans-67.1-43174.8179.466.9000110.8V467 Y475 K484 H485 E486 S491 M492V467-L488 HydrophobicContact CG1-CD1 3.68Å; V467-L488 HydrophobicContact CG2-CD1 4.5Å; Y475-L488 HydrophobicContact CD1-CD2 3.42Å; Y475-L488 VanDerWaalsContact CD1-CD2 3.42Å; Y475-L488 HydrophobicContact CD2-CD2 4.21Å; Y475-L488 HydrophobicContact CE1-CD2 3.96Å; Y475-L488 HydrophobicContact CG-CD2 3.6Å; K484-L488 WeakPolarHBondContact O-CB 3.33Å; K484-L488 PolarHBondContact O-N 3.43Å; H485-L488 WeakPolarHBondContact O-CB 3.23Å; H485-L488 PolarHBondContact O-N 3.26Å; H485-L488 VanDerWaalsContact O-N 3.14Å; E486-L488 VanDerWaalsContact C-N 3.34Å; E486-L488 PolarHBondContact O-N 2.8Å; L488-S491 PolarHBondContact O-N 2.96Å; L488-M492 HydrophobicContact CD1-CG 4.23Å; L488-M492 HydrophobicContact CD1-SD 4.03Å; L488-M492 HydrophobicContact CD2-SD 4.4Å; L488-M492 HydrophobicContact CG-CG 4.44Å; L488-M492 HydrophobicContact CG-SD 3.91Å; L488-M492 WeakPolarHBondContact O-CB 3.48Å; L488-M492 VanDerWaalsContact O-CG 3.3Å; L488-M492 WeakPolarHBondContact O-CG 3.42Å; L488-M492 PolarHBondContact O-N 3.03Å
489L85.7Confident81.8Confident44 Ų44108.7 Ų108.723%0.2352%0.52CS..Hα-helixtrans-63.2-47.9177.2-72.6-178.5000111.8H485 E486 S491 M492 F493H485-L489 WeakPolarHBondContact O-CG 3.47Å; H485-L489 PolarHBondContact O-N 3.45Å; E486-L489 PolarHBondContact O-N 3.3Å; L489-S491 VanDerWaalsContact C-N 3.27Å; L489-S491 PolarHBondContact O-N 3.14Å; L489-M492 PolarHBondContact O-N 3.5Å; L489-M492 VanDerWaalsContact O-N 3.16Å; L489-F493 HydrophobicContact CB-CD2 4.48Å; L489-F493 HydrophobicContact CD2-CD2 3.82Å; L489-F493 HydrophobicContact CD2-CE2 3.62Å; L489-F493 WeakPolarHBondContact O-CD2 3.25Å; L489-F493 PolarHBondContact O-N 3Å
490D84.5Confident80.4Confident97 Ų97105.9 Ų105.952%0.51950%0.504SS..Hα-helixtrans-60.3-39.5176.4-176.951.6000111E486 G494E486-D490 WeakPolarHBondContact O-CB 3.31Å; E486-D490 PolarHBondContact O-N 3.22Å; D490-G494 WeakPolarHBondContact O-CA 3.4Å; D490-G494 PolarHBondContact O-N 2.99Å
491S82.8Confident78.6Confident65 Ų65102.1 Ų102.146%0.45550%0.498SS..Hα-helixtrans-70.5-32.8176.4-164.20000113.5V467 K487 L488 L489V467-S491 VanDerWaalsContact CG2-CB 3.4Å; V467-S491 WeakPolarHBondContact CG2-OG 3.37Å; K487-S491 VanDerWaalsContact O-CB 3.25Å; K487-S491 WeakPolarHBondContact O-CB 3.44Å; K487-S491 PolarHBondContact O-N 3.49Å; L488-S491 PolarHBondContact O-N 2.96Å; L489-S491 VanDerWaalsContact C-N 3.27Å; L489-S491 PolarHBondContact O-N 3.14Å
492M82.7Confident77.3Confident86 Ų86109.1 Ų109.142%0.42453%0.529SS..Hα-helixtrans-82-42.8-179.8-78.2-179.6127.900113.6V467 V472 L488 L489V467-M492 HydrophobicContact CB-CG 3.98Å; V467-M492 HydrophobicContact CG1-CE 4.26Å; V467-M492 HydrophobicContact CG1-CG 4.09Å; V467-M492 HydrophobicContact CG2-CG 3.85Å; V472-M492 HydrophobicContact CB-CE 4.38Å; V472-M492 HydrophobicContact CG1-CE 4.27Å; V472-M492 HydrophobicContact CG2-CE 3.2Å; V472-M492 HydrophobicContact CG2-SD 4.45Å; L488-M492 HydrophobicContact CD1-CG 4.23Å; L488-M492 HydrophobicContact CD1-SD 4.03Å; L488-M492 HydrophobicContact CD2-SD 4.4Å; L488-M492 HydrophobicContact CG-CG 4.44Å; L488-M492 HydrophobicContact CG-SD 3.91Å; L488-M492 WeakPolarHBondContact O-CB 3.48Å; L488-M492 VanDerWaalsContact O-CG 3.3Å; L488-M492 WeakPolarHBondContact O-CG 3.42Å; L488-M492 PolarHBondContact O-N 3.03Å; L489-M492 PolarHBondContact O-N 3.5Å; L489-M492 VanDerWaalsContact O-N 3.16Å
493F82.9Confident76Confident119 Ų119113.6 Ų113.652%0.52254%0.543SS..Hα-helixtrans-110.9-18.2-170.4-60.3-77.1000113L489 Y497L489-F493 HydrophobicContact CB-CD2 4.48Å; L489-F493 HydrophobicContact CD2-CD2 3.82Å; L489-F493 HydrophobicContact CD2-CE2 3.62Å; L489-F493 WeakPolarHBondContact O-CD2 3.25Å; L489-F493 PolarHBondContact O-N 3Å; F493-Y497 HydrophobicContact CB-CG 4.44Å
494G80.1Confident74.9Confident25 Ų25112.2 Ų112.226%0.25854%0.54SS..THydrogen-bonded Turntrans62.3-167.8-179.200000113.5D490 Q496 Y497D490-G494 WeakPolarHBondContact O-CA 3.4Å; D490-G494 PolarHBondContact O-N 2.99Å; G494-Q496 PolarHBondContact O-N 2.99Å; G494-Y497 PolarHBondContact O-N 2.83Å; G494-Y497 VanDerWaalsContact O-N 3.13Å
495K72.4Confident73.5Confident165 Ų165116.5 Ų116.572%0.71756%0.558SS**Hα-helixtrans-58.7-19.4176.8-62.6-175.8179.9-175.60114Y497 E498 E499K495-Y497 PolarHBondContact O-N 3.28Å; K495-E498 PolarHBondContact O-N 2.92Å; K495-E499 VanDerWaalsContact O-CB 3.24Å; K495-E499 WeakPolarHBondContact O-CB 3.46Å; K495-E499 PolarHBondContact O-N 3.31Å
496Q71.6Confident72.9Confident165 Ų165122.3 Ų122.377%0.77158%0.583SS**Hα-helixtrans-64.7-21.7178.3-158.9-171.6-78.600112.3G494 I500G494-Q496 PolarHBondContact O-N 2.99Å; Q496-I500 WeakPolarHBondContact O-CG1 3.47Å
497Y67.9Low72.3Confident126 Ų126120.5 Ų120.549%0.49458%0.583SS.*Hα-helixtrans-76.5-40.8173.4-177.6-104.8000112.2F493 G494 K495 I500F493-Y497 HydrophobicContact CB-CG 4.44Å; G494-Y497 PolarHBondContact O-N 2.83Å; G494-Y497 VanDerWaalsContact O-N 3.13Å; K495-Y497 PolarHBondContact O-N 3.28Å; Y497-I500 HydrophobicContact CD2-CD1 4.45Å
498E69Low71.3Confident147 Ų147122 Ų12269%0.68759%0.592SS**Hα-helixtrans-75.2-31.9177.7-64.1-70.2132.700112.4K495 I500K495-E498 PolarHBondContact O-N 2.92Å; E498-I500 PolarHBondContact O-N 3.2Å
499E66.3Low69.9Low144 Ų144129.6 Ų129.667%0.67363%0.625SS**THydrogen-bonded Turntrans-85.811.2-179.9-157.6167.2-146.100112.3K495 D501K495-E499 VanDerWaalsContact O-CB 3.24Å; K495-E499 WeakPolarHBondContact O-CB 3.46Å; K495-E499 PolarHBondContact O-N 3.31Å; E499-D501 PolarHBondContact O-N 3.28Å
500I58.6Low68.7Low94 Ų94131.7 Ų131.748%0.48264%0.643SS.*SBendtrans-66.593.8162.7-64.7169.7000106.1Q496 Y497 E498 E502 I504Q496-I500 WeakPolarHBondContact O-CG1 3.47Å; Y497-I500 HydrophobicContact CD2-CD1 4.45Å; E498-I500 PolarHBondContact O-N 3.2Å; I500-E502 PolarHBondContact O-N 3.42Å; I500-I504 HydrophobicContact CG2-CD1 3.55Å; I500-I504 HydrophobicContact CG2-CG1 4.1Å
501D52.2Low67.6Low106 Ų106133.5 Ų133.557%0.56765%0.653SS**  trans-42.6131.8179.1-70.4-44.7000110E499 E503 I504E499-D501 PolarHBondContact O-N 3.28Å; D501-E503 HydrophobicContact CB-CB 4.17Å; D501-E503 PolarHBondContact O-N 3.37Å; D501-I504 PolarHBondContact O-N 2.68Å
502E60.6Low66.4Low206 Ų206137.5 Ų137.596%0.96367%0.669SS**THydrogen-bonded Turntrans-52.6-9.2169.4-61.8-179.2170.700112.4I500I500-E502 PolarHBondContact O-N 3.42Å
503E61.9Low65.1Low165 Ų165137.9 Ų137.977%0.77168%0.68SS**THydrogen-bonded Turntrans-80.2-8.5174.7-67.7-174.7171.500115.6D501 K505D501-E503 HydrophobicContact CB-CB 4.17Å; D501-E503 PolarHBondContact O-N 3.37Å; E503-K505 PolarHBondContact O-N 3.36Å
504I63.5Low63.8Low128 Ų128138.5 Ų138.566%0.65669%0.689SS**SBendtrans-68.685.5165.9-53.2-167.7000108I500 D501 K506I500-I504 HydrophobicContact CG2-CD1 3.55Å; I500-I504 HydrophobicContact CG2-CG1 4.1Å; D501-I504 PolarHBondContact O-N 2.68Å; I504-K506 PolarHBondContact O-N 2.89Å
505K58.1Low62.2Low182 Ų182143.8 Ų143.879%0.79171%0.71SS**  trans-52124.9178.3-70.5-179.2-179.9-1790109E503E503-K505 PolarHBondContact O-N 3.36Å
506K72.7Confident61.1Low184 Ų184144.6 Ų144.680%0.872%0.717SS**  trans-41.5127.8167.7-177.6-178.5179.2-172.30108.3I504 E508I504-K506 PolarHBondContact O-N 2.89Å; K506-E508 PolarHBondContact O-N 2.9Å
507P73.9Confident59.7Low96 Ų96142.7 Ų142.762%0.62372%0.716SS**  trans-54.9114.9-179.818.8-29.8000109.3F509P507-F509 PolarHBondContact O-N 3.37Å
508E64.9Low59Low194 Ų194144.5 Ų144.591%0.90773%0.729SS**  trans-69.8114172.1-83-179.8169.100107.6K506K506-E508 PolarHBondContact O-N 2.9Å
509F56.5Low57.9Low184 Ų184142.3 Ų142.381%0.80773%0.728SS**  trans-75.3131163.8-67.2-87.3000107.2P507 D511P507-F509 PolarHBondContact O-N 3.37Å; F509-D511 PolarHBondContact O-N 3.48Å
510S58.9Low56.8Low87 Ų87141 Ų14161%0.60873%0.734SS**  trans-62.1107.7175.2177.90000109D512 S513S510-D512 PolarHBondContact O-N 3.34Å; S510-S513 PolarHBondContact O-N 2.93Å
511D62.8Low56Low136 Ų136142.1 Ų142.173%0.72775%0.745SS**G310 helixtrans-58.1-14.3178.9-124.46.6000113.4F509 S513 D514F509-D511 PolarHBondContact O-N 3.48Å; D511-S513 PolarHBondContact O-N 3.27Å; D511-S513 VanDerWaalsContact O-N 3.15Å; D511-D514 PolarHBondContact O-N 2.95Å
512D57.3Low55.3Low149 Ų149144.2 Ų144.280%0.79776%0.756SS**G310 helixtrans-68.6-4.8180-104.13.3000114.9S510S510-D512 PolarHBondContact O-N 3.34Å
513S56.1Low54.2Low94 Ų94141.6 Ų141.666%0.65775%0.749SS**G310 helixtrans-89.1-14.6173.160.60000114.8S510 D511S510-S513 PolarHBondContact O-N 2.93Å; D511-S513 PolarHBondContact O-N 3.27Å; D511-S513 VanDerWaalsContact O-N 3.15Å
514D54.5Low53Low132 Ų132136.1 Ų136.171%0.70674%0.737SS**SBendtrans-104.3-3-168.7-69.610.8000112.6D511 E516D511-D514 PolarHBondContact O-N 2.95Å; D514-E516 PolarHBondContact O-N 2.96Å
515L46.3Very low51.9Low136 Ų136140.9 Ų140.971%0.71275%0.748SS**  trans-102.245.8-177.4-134.8154.4000112.7V517L515-V517 HydrophobicContact CD2-CG2 4.49Å
516E49.5Very low50.7Low182 Ų182139.3 Ų139.385%0.8575%0.748SS**  trans-10981155.8-73-171.4176.200107.8D514 E518D514-E516 PolarHBondContact O-N 2.96Å; E516-E518 PolarHBondContact O-N 3.21Å
517V43.3Very low48.9Very low124 Ų124135.3 Ų135.375%0.75274%0.744SS**  trans-56.4100.3173.1177.80000108.2L515L515-V517 HydrophobicContact CD2-CG2 4.49Å
518E51.6Low47Very low164 Ų164139.3 Ų139.377%0.76675%0.754SS**  trans-50.2121166.4-83.9-84.8160.300107.9E516 S520E516-E518 PolarHBondContact O-N 3.21Å; E518-S520 PolarHBondContact O-N 2.98Å
519P46Very low45.5Very low102 Ų102137.2 Ų137.266%0.66275%0.746SS**  trans-59.9115.6174.124.2-30.9000107.4V521P519-V521 PolarHBondContact O-N 3.28Å
520S43Very low44.4Very low115 Ų115137.2 Ų137.280%0.80475%0.746SS**  trans-42.5105170.457.20000108.6E518 D522E518-S520 PolarHBondContact O-N 2.98Å; S520-D522 VanDerWaalsContact C-N 3.27Å; S520-D522 PolarHBondContact O-N 3.48Å
521V41.9Very low42.9Very low119 Ų119140.7 Ų140.772%0.72175%0.752SS**  trans-67.798.9170.3-780000105.5P519 D523P519-V521 PolarHBondContact O-N 3.28Å; V521-D523 PolarHBondContact O-N 2.91Å
522D37.6Very low41.2Very low149 Ų149140 Ų14080%0.79776%0.757SS**  trans-45.4100.3168.2178.633.9000108.7S520 G524S520-D522 VanDerWaalsContact C-N 3.27Å; S520-D522 PolarHBondContact O-N 3.48Å; D522-G524 PolarHBondContact O-N 3.43Å
523D38.8Very low39.6Very low151 Ų151141.6 Ų141.681%0.80776%0.76SS**  trans-7159.5174.7-79.2-40.7000109.8V521 Y525V521-D523 PolarHBondContact O-N 2.91Å; D523-Y525 PolarHBondContact O-N 3.42Å
524G36.9Very low38.4Very low51 Ų51142.3 Ų142.353%0.52677%0.765SS.*  trans-83.843.1175.900000112.6D522 N526D522-G524 PolarHBondContact O-N 3.43Å; G524-N526 VanDerWaalsContact C-N 3.32Å; G524-N526 PolarHBondContact O-N 2.91Å
525Y38.9Very low37Very low228 Ų228145.6 Ų145.689%0.89477%0.773SS**  trans-88.584.1166.3-74-74.2000110.3D523D523-Y525 PolarHBondContact O-N 3.42Å
526N33.9Very low36.2Very low148 Ų148145.7 Ų145.779%0.79178%0.779SS**  trans-45.1131.7173.2-1493.9000113G524 Q528G524-N526 VanDerWaalsContact C-N 3.32Å; G524-N526 PolarHBondContact O-N 2.91Å; N526-Q528 PolarHBondContact O-N 3.11Å
527S35.3Very low35.1Very low101 Ų101142.7 Ų142.771%0.70678%0.779SS**  trans-46.1106.5168.3-85.30000112.1
528Q33.8Very low34.5Very low180 Ų180144.7 Ų144.784%0.84178%0.783SS**  trans-9971.9156.9-75.4-171.9-12.800109.1N526 K530N526-Q528 PolarHBondContact O-N 3.11Å; Q528-K530 VanDerWaalsContact C-N 3.31Å; Q528-K530 PolarHBondContact O-N 3.06Å
529M33.1Very low33.5Very low150 Ų150144 Ų14474%0.73978%0.784SS**  trans-62.889.1164.1-168.791.173.800108.6Q531M529-Q531 HydrophobicContact CG-CG 4.2Å; M529-Q531 PolarHBondContact O-N 3.25Å
530K32.3Very low33.2Very low184 Ų184143.9 Ų143.980%0.879%0.786SS**  trans-88.392.6163.6-83.4-174.4178.1176.60108.5Q528 C532Q528-K530 VanDerWaalsContact C-N 3.31Å; Q528-K530 PolarHBondContact O-N 3.06Å; K530-C532 PolarHBondContact O-N 3.43Å
531Q29.1Very low32.8Very low159 Ų159146 Ų14674%0.74379%0.788SS**  trans-62.6111.1160.8-67.3176.6-6.300108.3M529M529-Q531 HydrophobicContact CG-CG 4.2Å; M529-Q531 PolarHBondContact O-N 3.25Å
532C26.5Very low33Very low123 Ų123145.4 Ų145.483%0.83179%0.785SS**  trans-114.982.9160.7-87.10000107.3K530K530-C532 PolarHBondContact O-N 3.43Å
533E24.3Very low33.1Very low181 Ų181145.4 Ų145.485%0.84679%0.785SS**  trans-85108.3161.6-67.9-173.2174.200108.2
534S29.2Very low33.3Very low109 Ų109144.5 Ų144.576%0.76278%0.78SS**  trans-139.9109.2161.357.90000109.1
535K26.9Very low33.5Very low201 Ų201148.4 Ų148.487%0.87479%0.789SS**  trans-57.6130.1170.8-61.9158.4176.9171.20110.4
536T29Very low33.8Very low139 Ų139143.1 Ų143.185%0.85378%0.78SS**  trans-150.9104.9146.549.50000109.8
537S26.3Very low33.8Very low119 Ų119140.5 Ų140.583%0.83277%0.771SS**  trans-57.8135.1153.3-64.80000109.9
538I30.3Very low34Very low166 Ų166142.5 Ų142.585%0.85177%0.773SS**  trans-164.3128.7136.2-112.1163.1000109.4
539N30.1Very low33.9Very low148 Ų148143 Ų14379%0.79177%0.773SS**  trans-72.5137.1173-55.8-50.9000108.9
540S39.4Very low34.2Very low100 Ų100146 Ų14670%0.69978%0.777SS**  trans-135.597.6151.561.60000107.4V542S540-V542 PolarHBondContact O-N 2.69Å
541D35.4Very low34.3Very low159 Ų159141.9 Ų141.985%0.8577%0.772SS**  trans-48.3102.3153.9-59-58.2000108
542V46.2Very low34.6Very low107 Ų107138.8 Ų138.865%0.64877%0.768SS**  trans-11291.2160.6-1780000106.1S540 D544S540-V542 PolarHBondContact O-N 2.69Å; V542-D544 VanDerWaalsContact C-N 3.26Å; V542-D544 WeakPolarHBondContact CG1-OD2 3.46Å; V542-D544 PolarHBondContact O-N 3.01Å
543D40Very low35.2Very low150 Ų150140 Ų14080%0.80277%0.766SS**  trans-57.182.3164.3-167.315.4000109.4
544D43.2Very low35.8Very low131 Ų131138.8 Ų138.870%0.70177%0.765SS**  trans-119.976.7166.1-82.4-41.6000109.5V542 V546V542-D544 VanDerWaalsContact C-N 3.26Å; V542-D544 WeakPolarHBondContact CG1-OD2 3.46Å; V542-D544 PolarHBondContact O-N 3.01Å; D544-V546 PolarHBondContact O-N 3.12Å
545N41.3Very low36.1Very low134 Ų134140.6 Ų140.672%0.71777%0.766SS**  trans-20.887.9144.3-17517.9000114.1P547N545-P547 WeakPolarHBondContact O-CD 3.32Å; N545-P547 WeakPolarHBondContact OD1-CD 3.34Å; N545-P547 WeakPolarHBondContact OD1-CG 3.47Å
546V43.7Very low36.6Very low117 Ų117136.2 Ų136.271%0.70976%0.761SS**  trans-108.999.5158.3-175.70000107.8D544 L548D544-V546 PolarHBondContact O-N 3.12Å; V546-L548 PolarHBondContact O-N 3.45Å
547P34.7Very low36.8Very low93 Ų93135.7 Ų135.760%0.60476%0.757SS**  trans-63.893.1173.9-22.634.2000110.7N545 K549N545-P547 WeakPolarHBondContact O-CD 3.32Å; N545-P547 WeakPolarHBondContact OD1-CD 3.34Å; N545-P547 WeakPolarHBondContact OD1-CG 3.47Å; P547-K549 VanDerWaalsContact C-N 3.33Å; P547-K549 PolarHBondContact O-N 3.48Å
548L39.4Very low37.6Very low143 Ų143136.4 Ų136.475%0.74975%0.747SS**  trans-68.599161.9-76.9174.2000107.4V546 Y550V546-L548 PolarHBondContact O-N 3.45Å; L548-Y550 VanDerWaalsContact C-N 3.25Å; L548-Y550 PolarHBondContact O-N 3.41Å
549K30.7Very low37.9Very low191 Ų191136.9 Ų136.983%0.8374%0.743SS**  trans-58.886.5172.4-67.5174.7179.81770109.4P547 S551P547-K549 VanDerWaalsContact C-N 3.33Å; P547-K549 PolarHBondContact O-N 3.48Å; K549-S551 PolarHBondContact O-N 2.92Å
550Y39.6Very low38.2Very low211 Ų211138.5 Ų138.583%0.82775%0.75SS**  trans-70.990.4155.2-89.3-90.9000106.8L548 S552L548-Y550 VanDerWaalsContact C-N 3.25Å; L548-Y550 PolarHBondContact O-N 3.41Å; Y550-S552 VanDerWaalsContact C-N 3.34Å; Y550-S552 PolarHBondContact O-N 3.48Å
551S34.8Very low38.2Very low99 Ų99137.8 Ų137.869%0.69275%0.745SS**  trans-62.5104.2163.7-68.60000107.5K549 D553K549-S551 PolarHBondContact O-N 2.92Å; S551-D553 VanDerWaalsContact C-N 3.25Å; S551-D553 PolarHBondContact O-N 2.78Å
552S35.5Very low38.4Very low94 Ų94136.2 Ų136.266%0.65774%0.742SS**  trans-69.378.3173.354.20000109.9Y550 L554Y550-S552 VanDerWaalsContact C-N 3.34Å; Y550-S552 PolarHBondContact O-N 3.48Å; S552-L554 PolarHBondContact O-N 3.29Å
553D39.4Very low38.1Very low149 Ų149135.1 Ų135.180%0.79774%0.744SS**  trans-8857.5157.9-70.9-28.4000109.1S551 N555S551-D553 VanDerWaalsContact C-N 3.25Å; S551-D553 PolarHBondContact O-N 2.78Å; D553-N555 PolarHBondContact O-N 3.11Å
554L36Very low38.4Very low155 Ų155134.5 Ų134.581%0.81274%0.741SS**  trans-72.168.2157.5-73.7172000108S552S552-L554 PolarHBondContact O-N 3.29Å
555N36.6Very low38.6Very low147 Ų147132.9 Ų132.979%0.78673%0.732SS**  trans-148.256.5170.4-89.8-29.9000110.7D553D553-N555 PolarHBondContact O-N 3.11Å
556S36.4Very low39.1Very low109 Ų109130.1 Ų130.176%0.76272%0.717SS**  trans-125.895.7149.9-167.40000108.3H558S556-H558 PolarHBondContact O-N 3.45Å
557T33.7Very low39.7Very low127 Ų127133.1 Ų133.178%0.77972%0.721SS**  trans-65.358.817447.10000110.6K559T557-K559 PolarHBondContact O-N 3.4Å
558H43Very low40.7Very low134 Ų134133.6 Ų133.662%0.6273%0.726SS**  trans-82.980.4174.8-161.8-73.4000110S556 L560S556-H558 PolarHBondContact O-N 3.45Å; H558-L560 PolarHBondContact O-N 3.19Å
559K35.9Very low41.5Very low177 Ų177134.3 Ų134.377%0.7772%0.719SS**  trans-14.4111165-66.4175.6180177.20112.5T557 S561T557-K559 PolarHBondContact O-N 3.4Å; K559-S561 PolarHBondContact O-N 2.93Å
560L37.1Very low43Very low181 Ų181133.6 Ų133.695%0.94871%0.711SS**  trans-64.773.9164.6-71.4153.5000108.7H558 T562H558-L560 PolarHBondContact O-N 3.19Å; L560-T562 PolarHBondContact O-N 3.02Å; L560-T562 VanDerWaalsContact O-N 3.12Å
561S39.2Very low44.3Very low85 Ų85125.9 Ų125.959%0.59470%0.695SS**  trans-78.697.8172.155.40000109.8K559K559-S561 PolarHBondContact O-N 2.93Å
562T39.9Very low46Very low127 Ų127128.1 Ų128.178%0.77969%0.693SS**  trans22.9111.2139.758.30000117.5L560L560-T562 PolarHBondContact O-N 3.02Å; L560-T562 VanDerWaalsContact O-N 3.12Å
563A40Very low48.1Very low83 Ų83130 Ų13069%0.68669%0.685SS**SBendtrans53.6112.4133.300000119.8
564N46.1Very low50.1Low137 Ų137131.1 Ų131.173%0.73368%0.678SS**SBendtrans86.413.8134.6-63.8-14.3000122.2K389 R393K389-N564 PolarHBondContact NZ-O 3.4Å; R393-N564 PolarHBondContact NH2-O 3.03Å
565N48.3Very low52.2Low98 Ų98129 Ų12952%0.52467%0.667SS.*SBendtrans-136.10.7172.7-96.2-25.9000120.2K389 R393K389-N565 WeakPolarHBondContact CE-OD1 3.4Å; K389-N565 PolarHBondContact NZ-ND2 2.9Å; K389-N565 VanDerWaalsContact NZ-ND2 3.14Å; K389-N565 PolarHBondContact NZ-OD1 3.06Å; R393-N565 PolarHBondContact NH2-OD1 2.7Å
566N50.5Low54.4Low75 Ų75129.2 Ų129.240%0.40166%0.658SS.*  trans-105.415.6-166-68.8-26000117.5S568 R569 R570N566-S568 VanDerWaalsContact C-N 3.29Å; N566-S568 PolarHBondContact O-N 2.96Å; N566-R569 PolarHBondContact O-N 3.27Å; N566-R570 PolarHBondContact O-N 3.42Å
567K56.3Low56.7Low180 Ų180129.7 Ų129.778%0.78365%0.648SS**Hα-helixtrans-55.6-40.6-178.5-69.8-174178.2-175.70113.1R569 R570K567-R569 PolarHBondContact O-N 3.17Å; K567-R570 PolarHBondContact O-N 3.26Å
568S56Low58.8Low103 Ų103126.2 Ų126.272%0.7263%0.633SS**Hα-helixtrans-65.3-34176.3165.90000113.5N566N566-S568 VanDerWaalsContact C-N 3.29Å; N566-S568 PolarHBondContact O-N 2.96Å
569R56.9Low60.6Low159 Ų159125.2 Ų125.260%0.663%0.631SS**Hα-helixtrans-78.8-26.3177.3-70.4-176.1176.5-179.1-1.7112.8N566 K567 G571 K572 R573N566-R569 PolarHBondContact O-N 3.27Å; K567-R569 PolarHBondContact O-N 3.17Å; R569-G571 PolarHBondContact O-N 3.46Å; R569-K572 PolarHBondContact O-N 2.86Å; R569-R573 PolarHBondContact O-N 3.43Å; R569-R573 VanDerWaalsContact O-N 3.08Å
570R60.8Low62.9Low176 Ų176124 Ų12466%0.66463%0.628SS**Hα-helixtrans-64-38-176.8-149.2177.6-170-175.42.9112.5N566 K567 R573 R574N566-R570 PolarHBondContact O-N 3.42Å; K567-R570 PolarHBondContact O-N 3.26Å; R570-R573 PolarHBondContact O-N 3.1Å; R570-R574 PolarHBondContact O-N 3.12Å
571G67.3Low65.1Low48 Ų48122 Ų12250%0.49561%0.612SS.*Hα-helixtrans-64.1-43.6175.200000112.9R569 R573 R574 L575R569-G571 PolarHBondContact O-N 3.46Å; G571-R573 PolarHBondContact O-N 2.88Å; G571-R574 PolarHBondContact O-N 3.36Å; G571-L575 PolarHBondContact O-N 3.03Å
572K71.1Confident67.3Low146 Ų146123.4 Ų123.464%0.63562%0.622SS**Hα-helixtrans-65.2-36.7177.2-64.3-171.2177.9-169.20112.8R569 L575 Y576R569-K572 PolarHBondContact O-N 2.86Å; K572-L575 PolarHBondContact O-N 2.89Å; K572-Y576 WeakPolarHBondContact O-CD2 3.49Å; K572-Y576 PolarHBondContact O-N 3.3Å
573R80.7Confident69.1Low134 Ų134123.1 Ų123.151%0.50661%0.61SS.*Hα-helixtrans-65.2-44.8178.1-75.4-178.7176.4175.8-4.5112.7R569 R570 G571 L575 Y576 E577R569-R573 PolarHBondContact O-N 3.43Å; R569-R573 VanDerWaalsContact O-N 3.08Å; R570-R573 PolarHBondContact O-N 3.1Å; G571-R573 PolarHBondContact O-N 2.88Å; R573-L575 VanDerWaalsContact C-N 3.27Å; R573-L575 PolarHBondContact O-N 3.34Å; R573-Y576 PolarHBondContact O-N 2.89Å; R573-E577 WeakPolarHBondContact O-CB 3.43Å; R573-E577 PolarHBondContact O-N 3.01Å
574R79.7Confident71.1Confident172 Ų172122 Ų12265%0.64960%0.596SS**Hα-helixtrans-60.2-39177-74.5-179.2164.5176.6-7.6112R570 G571 A578R570-R574 PolarHBondContact O-N 3.12Å; G571-R574 PolarHBondContact O-N 3.36Å; R574-A578 WeakPolarHBondContact O-CB 3.38Å; R574-A578 PolarHBondContact O-N 3.09Å
575L81Confident72.9Confident110 Ų110122.3 Ų122.358%0.57660%0.596SS**Hα-helixtrans-64.1-47.9174.6-175.475000111.5G571 K572 R573 A578 L579G571-L575 PolarHBondContact O-N 3.03Å; K572-L575 PolarHBondContact O-N 2.89Å; R573-L575 VanDerWaalsContact C-N 3.27Å; R573-L575 PolarHBondContact O-N 3.34Å; L575-A578 PolarHBondContact O-N 2.94Å; L575-L579 HydrophobicContact CG-CD1 4.28Å; L575-L579 WeakPolarHBondContact O-CG 3.34Å; L575-L579 PolarHBondContact O-N 3.39Å
576Y82.3Confident74.6Confident152 Ų152120.9 Ų120.960%0.59659%0.585SS**Hα-helixtrans-60.5-46.7177.6-99.6-82.3000112.3K572 R573 A578 L579 E580K572-Y576 WeakPolarHBondContact O-CD2 3.49Å; K572-Y576 PolarHBondContact O-N 3.3Å; R573-Y576 PolarHBondContact O-N 2.89Å; Y576-A578 VanDerWaalsContact C-N 3.28Å; Y576-A578 PolarHBondContact O-N 2.91Å; Y576-L579 CarbonylContact O-C 3.57Å; Y576-L579 PolarHBondContact O-N 3.42Å; Y576-E580 WeakPolarHBondContact O-CG 3.45Å; Y576-E580 PolarHBondContact O-N 3.32Å
577E84.9Confident76.3Confident119 Ų119120.9 Ų120.956%0.55659%0.585SS**Hα-helixtrans-59.3-39.1176.7-176.5-178.4174.500111.7R573 E580 K581R573-E577 WeakPolarHBondContact O-CB 3.43Å; R573-E577 PolarHBondContact O-N 3.01Å; E577-E580 PolarHBondContact O-N 3.4Å; E577-K581 PolarHBondContact O-N 3.14Å
578A78.4Confident77.6Confident55 Ų55116.3 Ų116.346%0.45557%0.574SS.*Hα-helixtrans-67.7-35.4174.500000112.9R574 L575 Y576R574-A578 WeakPolarHBondContact O-CB 3.38Å; R574-A578 PolarHBondContact O-N 3.09Å; L575-A578 PolarHBondContact O-N 2.94Å; Y576-A578 VanDerWaalsContact C-N 3.28Å; Y576-A578 PolarHBondContact O-N 2.91Å
579L80.7Confident79.1Confident113 Ų113118.9 Ų118.959%0.59258%0.58SS**Hα-helixtrans-73.4-26.4176.1-69.4173.1000113L575 Y576L575-L579 HydrophobicContact CG-CD1 4.28Å; L575-L579 WeakPolarHBondContact O-CG 3.34Å; L575-L579 PolarHBondContact O-N 3.39Å; Y576-L579 CarbonylContact O-C 3.57Å; Y576-L579 PolarHBondContact O-N 3.42Å
580E84.7Confident80.5Confident150 Ų150116.4 Ų116.470%0.70158%0.578SS**Hα-helixtrans-78.1-17.9177.9-76.8173.2-175.500113.3Y576 E577 S582Y576-E580 WeakPolarHBondContact O-CG 3.45Å; Y576-E580 PolarHBondContact O-N 3.32Å; E577-E580 PolarHBondContact O-N 3.4Å; E580-S582 PolarHBondContact O-N 2.86Å
581K83.2Confident81.5Confident140 Ų140110.2 Ų110.261%0.60956%0.555SS**SBendtrans-63.1121.6174.9-69.8174.9-176.1-176.70109.8E577 K583E577-K581 PolarHBondContact O-N 3.14Å; K581-K583 PolarHBondContact O-N 3.44Å
582S84.8Confident82.5Confident115 Ų115113.7 Ų113.780%0.80457%0.569SS**PPolyproline II helixtrans-62.6124.9177.858.10000110.6E580E580-S582 PolarHBondContact O-N 2.86Å
583K78.4Confident83.2Confident121 Ų121111 Ų11153%0.52656%0.561SS.*PPolyproline II helixtrans-84.9129.2178.3-58.7174.7-177.8-177.50108.7K581 Y602K581-K583 PolarHBondContact O-N 3.44Å; K583-Y602 WeakPolarHBondContact CD-OH 3.5Å
584P82Confident83.6Confident60 Ų60110.6 Ų110.639%0.3956%0.561SS.*PPolyproline II helixtrans-58.2155.4175.121.2-27.9000110.4Y597 F601P584-Y597 HydrophobicContact CG-CE2 4.11Å; P584-Y597 PolarHBondContact O-OH 3.04Å; P584-F601 HydrophobicContact CG-CD1 4.31Å; P584-F601 HydrophobicContact CG-CD2 4.2Å; P584-F601 HydrophobicContact CG-CE1 3.75Å; P584-F601 HydrophobicContact CG-CE2 3.66Å; P584-F601 HydrophobicContact CG-CZ 3.41Å; P584-F601 VanDerWaalsContact CG-CZ 3.41Å
585I82.3Confident84Confident143 Ų143108.2 Ų108.273%0.73356%0.557SS**PPolyproline II helixtrans-81.5142.3169.9-61.1166.7000106.6N587I585-N587 PolarHBondContact O-N 3.42Å; I585-N587 VanDerWaalsContact O-N 3.15Å
586F84.6Confident84.3Confident68 Ų68109 Ų10930%0.29856%0.556SS.*PPolyproline II helixtrans-62.7117.4176170.6-108.8000109.9P588 Y591 Y594 Y597F586-P588 HydrophobicContact CE1-CB 4.18Å; F586-P588 HydrophobicContact CZ-CB 4.23Å; F586-Y591 VanDerWaalsContact CE2-O 3.29Å; F586-Y591 WeakPolarHBondContact CE2-O 3.3Å; F586-Y591 WeakPolarHBondContact CZ-O 3.47Å; F586-Y594 HydrophobicContact CB-CD2 4.42Å; F586-Y594 HydrophobicContact CD1-CD2 4.19Å; F586-Y594 AromaticContact CD2-CD2 3.89Å; F586-Y594 HydrophobicContact CD2-CD2 3.89Å; F586-Y594 HydrophobicContact CE1-CD2 4.45Å; F586-Y594 HydrophobicContact CE2-CD2 4.16Å; F586-Y594 AromaticContact CG-CD2 3.89Å; F586-Y594 HydrophobicContact CG-CD2 3.89Å; F586-Y594 HydrophobicContact CG-CE2 4.49Å; F586-Y594 HydrophobicContact CZ-CD2 4.44Å; F586-Y597 HydrophobicContact CB-CD1 4.08Å; F586-Y597 HydrophobicContact CB-CE1 3.94Å; F586-Y597 HydrophobicContact CB-CG 4.46Å; F586-Y597 AromaticContact CD2-CD1 3.77Å; F586-Y597 HydrophobicContact CD2-CD1 3.77Å; F586-Y597 HydrophobicContact CD2-CD2 4.18Å; F586-Y597 HydrophobicContact CD2-CE1 4.48Å; F586-Y597 AromaticContact CD2-CG 3.63Å; F586-Y597 HydrophobicContact CD2-CG 3.63Å; F586-Y597 HydrophobicContact CE2-CG 4.43Å; F586-Y597 HydrophobicContact CG-CD1 4.32Å
587N85.9Confident84.5Confident75 Ų75102.3 Ų102.340%0.40153%0.53SS..  trans-108.2117.6172.8-68.7-19.1000108.8I585 D589 D590 Y591I585-N587 PolarHBondContact O-N 3.42Å; I585-N587 VanDerWaalsContact O-N 3.15Å; N587-D589 PolarHBondContact O-N 2.87Å; N587-D590 HydrophobicContact CB-CB 4.16Å; N587-D590 VanDerWaalsContact CB-OD2 3.26Å; N587-D590 WeakPolarHBondContact CB-OD2 3.33Å; N587-D590 PolarHBondContact ND2-OD2 3.26Å; N587-D590 PolarHBondContact O-N 3.34Å; N587-Y591 PolarHBondContact O-N 3.15Å
588P84.9Confident84.7Confident84 Ų84100.9 Ų100.955%0.54552%0.521SS..THydrogen-bonded Turntrans-64.7-21.7179.424.8-33.2000113.5F586 Y591F586-P588 HydrophobicContact CE1-CB 4.18Å; F586-P588 HydrophobicContact CZ-CB 4.23Å; P588-Y591 CarbonylContact O-C 3.29Å
589D86.5Confident85.1Confident157 Ų157102.5 Ų102.584%0.8452%0.52SS*.THydrogen-bonded Turntrans-73.4-34.7176.6-65-26.6000112.3N587N587-D589 PolarHBondContact O-N 2.87Å
590D86.4Confident85.3Confident107 Ų107102.1 Ų102.157%0.57252%0.515SS*.THydrogen-bonded Turntrans-83.2-39.2178.9-62.8-42.2000111.1N587N587-D590 HydrophobicContact CB-CB 4.16Å; N587-D590 VanDerWaalsContact CB-OD2 3.26Å; N587-D590 WeakPolarHBondContact CB-OD2 3.33Å; N587-D590 PolarHBondContact ND2-OD2 3.26Å; N587-D590 PolarHBondContact O-N 3.34Å
591Y82.6Confident85.2Confident46 Ų4699.2 Ų99.218%0.1850%0.5CS..  trans-125.897.2-178.8-59.4-86.3000109.8F586 N587 P588 D593 Y597 E600 F601F586-Y591 VanDerWaalsContact CE2-O 3.29Å; F586-Y591 WeakPolarHBondContact CE2-O 3.3Å; F586-Y591 WeakPolarHBondContact CZ-O 3.47Å; N587-Y591 PolarHBondContact O-N 3.15Å; P588-Y591 CarbonylContact O-C 3.29Å; Y591-D593 PolarHBondContact O-N 2.88Å; Y591-D593 VanDerWaalsContact O-N 3.11Å; Y591-Y597 AromaticContact CD2-CD2 3.74Å; Y591-Y597 HydrophobicContact CD2-CD2 3.74Å; Y591-Y597 HydrophobicContact CD2-CG 4.37Å; Y591-Y597 AromaticContact CE2-CD2 3.84Å; Y591-Y597 HydrophobicContact CE2-CD2 3.84Å; Y591-Y597 HydrophobicContact CG-CD2 4.18Å; Y591-Y597 HydrophobicContact CG-CG 4.41Å; Y591-E600 WeakPolarHBondContact CE1-OE2 3.35Å; Y591-F601 HydrophobicContact CE2-CE2 4.44Å
592P86.6Confident85.1Confident121 Ų12197.4 Ų97.479%0.78649%0.49SS*.SBendtrans-58.6-27.4179.7-25.833.9000113.4
593D87.1Confident85.1Confident88 Ų8896.2 Ų96.247%0.47147%0.472SS..SBendtrans-116.6126.5178.2-176.217.3000109.7Y591 E595 K596 Y597Y591-D593 PolarHBondContact O-N 2.88Å; Y591-D593 VanDerWaalsContact O-N 3.11Å; D593-E595 PolarHBondContact O-N 3.49Å; D593-E595 PolarHBondContact OD1-N 3.42Å; D593-K596 HydrophobicContact CB-CB 4.29Å; D593-K596 PolarHBondContact O-N 3.32Å; D593-Y597 PolarHBondContact O-N 3.02Å
594Y87.6Confident85.3Confident126 Ų12696.7 Ų96.749%0.49448%0.48SS..Hα-helixtrans-63.3-34.2177173.5-100000111.2F586 K596 Y597 F598F586-Y594 HydrophobicContact CB-CD2 4.42Å; F586-Y594 HydrophobicContact CD1-CD2 4.19Å; F586-Y594 AromaticContact CD2-CD2 3.89Å; F586-Y594 HydrophobicContact CD2-CD2 3.89Å; F586-Y594 HydrophobicContact CE1-CD2 4.45Å; F586-Y594 HydrophobicContact CE2-CD2 4.16Å; F586-Y594 AromaticContact CG-CD2 3.89Å; F586-Y594 HydrophobicContact CG-CD2 3.89Å; F586-Y594 HydrophobicContact CG-CE2 4.49Å; F586-Y594 HydrophobicContact CZ-CD2 4.44Å; Y594-K596 VanDerWaalsContact C-N 3.34Å; Y594-K596 PolarHBondContact O-N 2.9Å; Y594-Y597 HydrophobicContact CD2-CD1 4.03Å; Y594-Y597 AromaticContact CE2-CD1 3.91Å; Y594-Y597 HydrophobicContact CE2-CD1 3.91Å; Y594-Y597 HydrophobicContact CE2-CE1 4.16Å; Y594-Y597 WeakPolarHBondContact O-CB 3.49Å; Y594-Y597 PolarHBondContact O-N 2.98Å; Y594-F598 HydrophobicContact CE1-CB 4.23Å; Y594-F598 WeakPolarHBondContact O-CB 3.49Å; Y594-F598 PolarHBondContact O-N 3.32Å
595E88.7Confident85.2Confident122 Ų122100.7 Ų100.757%0.5749%0.493SS*.Hα-helixtrans-64.3-42.3-178.6-168.8137.4-152.800110.8D593 Y597 F598 E599D593-E595 PolarHBondContact O-N 3.49Å; D593-E595 PolarHBondContact OD1-N 3.42Å; E595-Y597 PolarHBondContact O-N 3.19Å; E595-F598 PolarHBondContact O-N 3.17Å; E595-F598 VanDerWaalsContact O-N 3.15Å; E595-E599 WeakPolarHBondContact O-CG 3.35Å; E595-E599 PolarHBondContact O-N 2.89Å
596K87.5Confident85.3Confident126 Ų12694.9 Ų94.955%0.54847%0.465SS..Hα-helixtrans-61.2-43.9174.3-172.5176.3179.1-172.70113.1D593 Y594 F598 E600D593-K596 HydrophobicContact CB-CB 4.29Å; D593-K596 PolarHBondContact O-N 3.32Å; Y594-K596 VanDerWaalsContact C-N 3.34Å; Y594-K596 PolarHBondContact O-N 2.9Å; K596-F598 VanDerWaalsContact C-N 3.32Å; K596-E600 PolarHBondContact O-N 3.38Å; K596-E600 VanDerWaalsContact O-N 3.1Å
597Y87.4Confident85.3Confident13 Ų1396.3 Ų96.35%0.05147%0.472CS..Hα-helixtrans-58.7-46.8173162-96.3000110.9P584 F586 Y591 D593 Y594 E595 E600 F601P584-Y597 HydrophobicContact CG-CE2 4.11Å; P584-Y597 PolarHBondContact O-OH 3.04Å; F586-Y597 HydrophobicContact CB-CD1 4.08Å; F586-Y597 HydrophobicContact CB-CE1 3.94Å; F586-Y597 HydrophobicContact CB-CG 4.46Å; F586-Y597 AromaticContact CD2-CD1 3.77Å; F586-Y597 HydrophobicContact CD2-CD1 3.77Å; F586-Y597 HydrophobicContact CD2-CD2 4.18Å; F586-Y597 HydrophobicContact CD2-CE1 4.48Å; F586-Y597 AromaticContact CD2-CG 3.63Å; F586-Y597 HydrophobicContact CD2-CG 3.63Å; F586-Y597 HydrophobicContact CE2-CG 4.43Å; F586-Y597 HydrophobicContact CG-CD1 4.32Å; Y591-Y597 AromaticContact CD2-CD2 3.74Å; Y591-Y597 HydrophobicContact CD2-CD2 3.74Å; Y591-Y597 HydrophobicContact CD2-CG 4.37Å; Y591-Y597 AromaticContact CE2-CD2 3.84Å; Y591-Y597 HydrophobicContact CE2-CD2 3.84Å; Y591-Y597 HydrophobicContact CG-CD2 4.18Å; Y591-Y597 HydrophobicContact CG-CG 4.41Å; D593-Y597 PolarHBondContact O-N 3.02Å; Y594-Y597 HydrophobicContact CD2-CD1 4.03Å; Y594-Y597 AromaticContact CE2-CD1 3.91Å; Y594-Y597 HydrophobicContact CE2-CD1 3.91Å; Y594-Y597 HydrophobicContact CE2-CE1 4.16Å; Y594-Y597 WeakPolarHBondContact O-CB 3.49Å; Y594-Y597 PolarHBondContact O-N 2.98Å; E595-Y597 PolarHBondContact O-N 3.19Å; Y597-E600 PolarHBondContact O-N 3.46Å; Y597-F601 AromaticContact CD2-CD2 3.69Å; Y597-F601 HydrophobicContact CD2-CD2 3.69Å; Y597-F601 AromaticContact CD2-CE2 3.51Å; Y597-F601 HydrophobicContact CD2-CE2 3.51Å; Y597-F601 AromaticContact CE2-CD2 3.47Å; Y597-F601 HydrophobicContact CE2-CD2 3.47Å; Y597-F601 VanDerWaalsContact CE2-CD2 3.47Å; Y597-F601 AromaticContact CE2-CE2 3.42Å; Y597-F601 HydrophobicContact CE2-CE2 3.42Å; Y597-F601 VanDerWaalsContact CE2-CE2 3.42Å; Y597-F601 HydrophobicContact CG-CD2 4.38Å; Y597-F601 AromaticContact CZ-CD2 3.99Å; Y597-F601 WeakPolarHBondContact O-CD2 3.31Å; Y597-F601 PolarHBondContact O-N 3.48Å
598F87.6Confident85.4Confident88 Ų8897.3 Ų97.339%0.38648%0.478SS..Hα-helixtrans-64.3-46.2-178.7-179.1-96.8000111.6Y594 E595 K596 E600 F601 Y602Y594-F598 HydrophobicContact CE1-CB 4.23Å; Y594-F598 WeakPolarHBondContact O-CB 3.49Å; Y594-F598 PolarHBondContact O-N 3.32Å; E595-F598 PolarHBondContact O-N 3.17Å; E595-F598 VanDerWaalsContact O-N 3.15Å; K596-F598 VanDerWaalsContact C-N 3.32Å; F598-E600 PolarHBondContact O-N 3.35Å; F598-F601 PolarHBondContact O-N 3.42Å; F598-Y602 AromaticContact CD2-CD2 3.3Å; F598-Y602 HydrophobicContact CD2-CD2 3.3Å; F598-Y602 AromaticContact CD2-CE2 3.74Å; F598-Y602 HydrophobicContact CD2-CE2 3.74Å; F598-Y602 AromaticContact CD2-CG 3.91Å; F598-Y602 HydrophobicContact CD2-CG 3.91Å; F598-Y602 HydrophobicContact CE2-CD1 4.17Å; F598-Y602 AromaticContact CE2-CD2 3.45Å; F598-Y602 HydrophobicContact CE2-CD2 3.45Å; F598-Y602 VanDerWaalsContact CE2-CD2 3.45Å; F598-Y602 AromaticContact CE2-CE2 3.92Å; F598-Y602 HydrophobicContact CE2-CE2 3.92Å; F598-Y602 AromaticContact CE2-CG 3.58Å; F598-Y602 HydrophobicContact CE2-CG 3.58Å; F598-Y602 AromaticContact CG-CD2 3.99Å; F598-Y602 HydrophobicContact CG-CD2 3.99Å; F598-Y602 HydrophobicContact CZ-CD2 4.24Å; F598-Y602 AromaticContact CZ-CG 3.99Å; F598-Y602 HydrophobicContact CZ-CG 3.99Å; F598-Y602 VanDerWaalsContact O-CB 3.27Å; F598-Y602 WeakPolarHBondContact O-CB 3.44Å; F598-Y602 WeakPolarHBondContact O-CD2 3.42Å; F598-Y602 PolarHBondContact O-N 3.49Å
599E86.5Confident85.6Confident89 Ų8996.6 Ų96.642%0.41647%0.469SS..Hα-helixtrans-59.5-43.9177.4-74.6-174.8162.100111.9E595 F601 Q603E595-E599 WeakPolarHBondContact O-CG 3.35Å; E595-E599 PolarHBondContact O-N 2.89Å; E599-F601 VanDerWaalsContact C-N 3.29Å; E599-F601 PolarHBondContact O-N 2.82Å; E599-Q603 HydrophobicContact CB-CB 4.42Å; E599-Q603 WeakPolarHBondContact O-CA 3.43Å; E599-Q603 WeakPolarHBondContact O-CB 3.26Å; E599-Q603 PolarHBondContact O-N 3.2Å
600E84.9Confident85.8Confident106 Ų10693.1 Ų93.150%0.49545%0.449SS..Hα-helixtrans-59.6-37.8-178.2-175.5166.5168.300113.4Y591 K596 Y597 F598Y591-E600 WeakPolarHBondContact CE1-OE2 3.35Å; K596-E600 PolarHBondContact O-N 3.38Å; K596-E600 VanDerWaalsContact O-N 3.1Å; Y597-E600 PolarHBondContact O-N 3.46Å; F598-E600 PolarHBondContact O-N 3.35Å
601F82.8Confident86Confident88 Ų8893 Ų9339%0.38645%0.454SS..Hα-helixtrans-97.2-26.9-176.6-64.9-67000114.7P584 Y591 Y597 F598 E599P584-F601 HydrophobicContact CG-CD1 4.31Å; P584-F601 HydrophobicContact CG-CD2 4.2Å; P584-F601 HydrophobicContact CG-CE1 3.75Å; P584-F601 HydrophobicContact CG-CE2 3.66Å; P584-F601 HydrophobicContact CG-CZ 3.41Å; P584-F601 VanDerWaalsContact CG-CZ 3.41Å; Y591-F601 HydrophobicContact CE2-CE2 4.44Å; Y597-F601 AromaticContact CD2-CD2 3.69Å; Y597-F601 HydrophobicContact CD2-CD2 3.69Å; Y597-F601 AromaticContact CD2-CE2 3.51Å; Y597-F601 HydrophobicContact CD2-CE2 3.51Å; Y597-F601 AromaticContact CE2-CD2 3.47Å; Y597-F601 HydrophobicContact CE2-CD2 3.47Å; Y597-F601 VanDerWaalsContact CE2-CD2 3.47Å; Y597-F601 AromaticContact CE2-CE2 3.42Å; Y597-F601 HydrophobicContact CE2-CE2 3.42Å; Y597-F601 VanDerWaalsContact CE2-CE2 3.42Å; Y597-F601 HydrophobicContact CG-CD2 4.38Å; Y597-F601 AromaticContact CZ-CD2 3.99Å; Y597-F601 WeakPolarHBondContact O-CD2 3.31Å; Y597-F601 PolarHBondContact O-N 3.48Å; F598-F601 PolarHBondContact O-N 3.42Å; E599-F601 VanDerWaalsContact C-N 3.29Å; E599-F601 PolarHBondContact O-N 2.82Å
602Y82.6Confident86.3Confident102 Ų10291.9 Ų91.940%0.446%0.457SS..Hα-helixtrans-111-19.1-173.9-65.7-86.5000113.8K583 F598 L604K583-Y602 WeakPolarHBondContact CD-OH 3.5Å; F598-Y602 AromaticContact CD2-CD2 3.3Å; F598-Y602 HydrophobicContact CD2-CD2 3.3Å; F598-Y602 AromaticContact CD2-CE2 3.74Å; F598-Y602 HydrophobicContact CD2-CE2 3.74Å; F598-Y602 AromaticContact CD2-CG 3.91Å; F598-Y602 HydrophobicContact CD2-CG 3.91Å; F598-Y602 HydrophobicContact CE2-CD1 4.17Å; F598-Y602 AromaticContact CE2-CD2 3.45Å; F598-Y602 HydrophobicContact CE2-CD2 3.45Å; F598-Y602 VanDerWaalsContact CE2-CD2 3.45Å; F598-Y602 AromaticContact CE2-CE2 3.92Å; F598-Y602 HydrophobicContact CE2-CE2 3.92Å; F598-Y602 AromaticContact CE2-CG 3.58Å; F598-Y602 HydrophobicContact CE2-CG 3.58Å; F598-Y602 AromaticContact CG-CD2 3.99Å; F598-Y602 HydrophobicContact CG-CD2 3.99Å; F598-Y602 HydrophobicContact CZ-CD2 4.24Å; F598-Y602 AromaticContact CZ-CG 3.99Å; F598-Y602 HydrophobicContact CZ-CG 3.99Å; F598-Y602 VanDerWaalsContact O-CB 3.27Å; F598-Y602 WeakPolarHBondContact O-CB 3.44Å; F598-Y602 WeakPolarHBondContact O-CD2 3.42Å; F598-Y602 PolarHBondContact O-N 3.49Å; Y602-L604 PolarHBondContact O-N 3.08Å
603Q83.2Confident86.6Confident90 Ų9092.3 Ų92.342%0.42146%0.459SS..SBendtrans-70.9131.6175.6-162.5174.732.100109.5E599 H605E599-Q603 HydrophobicContact CB-CB 4.42Å; E599-Q603 WeakPolarHBondContact O-CA 3.43Å; E599-Q603 WeakPolarHBondContact O-CB 3.26Å; E599-Q603 PolarHBondContact O-N 3.2Å; Q603-H605 PolarHBondContact O-N 3.06Å
604L83.5Confident86.8Confident132 Ų13291.3 Ų91.369%0.69146%0.457SS*.  trans-61133.7171.9-63176.5000108.9Y602 C606 R622Y602-L604 PolarHBondContact O-N 3.08Å; L604-C606 PolarHBondContact O-N 2.79Å; L604-C606 VanDerWaalsContact O-N 3.12Å; L604-R622 PolarHBondContact O-NH1 3.18Å
605H79.4Confident86.7Confident143 Ų14390.3 Ų90.366%0.66247%0.468SS*.SBendtrans-63-17.8-179.5-72.5-77.2000113.6Q603 R622Q603-H605 PolarHBondContact O-N 3.06Å; H605-R622 VanDerWaalsContact C-CZ 3.43Å; H605-R622 VanDerWaalsContact CA-NH1 3.34Å; H605-R622 PolarHBondContact O-NE 3.13Å; H605-R622 PolarHBondContact O-NH1 3.49Å; H605-R622 PolarHBondContact O-NH2 3.26Å
606C85.8Confident86.7Confident22 Ų2289.3 Ų89.315%0.14948%0.475CS..  trans-160.2145.3179.956.10000109.5L604 Y620 C621L604-C606 PolarHBondContact O-N 2.79Å; L604-C606 VanDerWaalsContact O-N 3.12Å; C606-Y620 HydrophobicContact CB-CD1 4.25Å; C606-C621 WeakPolarHBondContact CA-O 3.4Å; C606-C621 WeakPolarHBondContact CB-O 3.28Å
607E84.5Confident86.8Confident98 Ų9887.1 Ų87.146%0.45847%0.469SS..SBendtrans-82.6-28.3171.3-62.178.8-144.400111.4C621 R622 F623E607-C621 PolarHBondContact N-O 2.82Å; E607-R622 WeakPolarHBondContact OE2-CA 3.17Å; E607-F623 HydrophobicContact CB-CD2 4.46Å; E607-F623 HydrophobicContact CG-CD2 4.46Å; E607-F623 PolarHBondContact OE2-N 3.22Å
608D87.3Confident87Confident95 Ų9588.4 Ų88.451%0.50848%0.477SS..EExtended strand (participates in β ladder)trans-141.5154.7179-165.112000111.6C621D608-C621 HydrophobicContact CB-CB 3.96Å; D608-C621 PolarHBondContact N-O 2.96Å; D608-C621 WeakPolarHBondContact O-CB 3.35Å; D608-C621 PolarHBondContact O-N 3.29Å
609I89.2Confident87Confident70 Ų7089.2 Ų89.236%0.35948%0.484SS..EExtended strand (participates in β ladder)trans-127.9104.1176.1-56.4175.1000106.5P611 D618 I619 Y620I609-P611 VanDerWaalsContact O-CD 3.22Å; I609-P611 WeakPolarHBondContact O-CD 3.35Å; I609-D618 HydrophobicContact CG2-CB 3.72Å; I609-I619 WeakPolarHBondContact CA-O 3.27Å; I609-Y620 HydrophobicContact CD1-CD1 4.05Å; I609-Y620 HydrophobicContact CD1-CE1 3.78Å; I609-Y620 HydrophobicContact CG1-CD1 3.82Å; I609-Y620 HydrophobicContact CG1-CE1 4.04Å; I609-Y620 HydrophobicContact CG2-CD1 4.43Å; I609-Y620 HydrophobicContact CG2-CE1 4.34Å
610I89.7Confident87.1Confident83 Ų8391.8 Ų91.843%0.42649%0.491SS..EExtended strand (participates in β ladder)trans-74.4116.9172.6-61170.8000107G612 D618 I619 C621I610-G612 PolarHBondContact O-N 3.35Å; I610-D618 WeakPolarHBondContact O-CA 3.45Å; I610-I619 HydrophobicContact CB-CB 4.2Å; I610-I619 PolarHBondContact N-O 3.42Å; I610-I619 PolarHBondContact O-N 2.95Å; I610-C621 WeakPolarHBondContact CD1-SG 3.16Å
611P91.4Very high87.3Confident106 Ų10688.3 Ų88.369%0.68848%0.478SS*.PPolyproline II helixtrans-65.5124.3-177.6-2134.3000111.1I609 D618I609-P611 VanDerWaalsContact O-CD 3.22Å; I609-P611 WeakPolarHBondContact O-CD 3.35Å; P611-D618 WeakPolarHBondContact CA-OD1 3.4Å
612G89.8Confident87.5Confident22 Ų2289 Ų8923%0.22748%0.478CS..PPolyproline II helixtrans-79.8169.8171.600000111.8I610 T614 D617 D618I610-G612 PolarHBondContact O-N 3.35Å; G612-T614 PolarHBondContact O-N 3.27Å; G612-D617 WeakPolarHBondContact CA-O 3.43Å; G612-D618 PolarHBondContact N-OD1 3.37Å
613P91.7Very high87.8Confident130 Ų13090.9 Ų90.984%0.84449%0.488SS*.SBendtrans-60.8-27.9172.924.1-32.2000112.4
614T91.9Very high87.9Confident67 Ų6795.8 Ų95.841%0.41151%0.508SS..SBendtrans-124.7155.7170.380.90000110.2G612 S616 D617G612-T614 PolarHBondContact O-N 3.27Å; T614-S616 PolarHBondContact O-N 2.96Å; T614-S616 VanDerWaalsContact O-N 3.13Å; T614-S616 PolarHBondContact OG1-OG 3.31Å; T614-D617 PolarHBondContact O-N 3.29Å; T614-D617 PolarHBondContact OG1-OD1 3Å; T614-D617 PolarHBondContact OG1-OD2 2.98Å
615S84.8Confident88Confident105 Ų10599 Ų9973%0.73451%0.512SS*.THydrogen-bonded Turntrans-65-13.7-178.7-61.80000114.8
616S88.8Confident88.4Confident101 Ų10197.6 Ų97.671%0.70650%0.501SS*.THydrogen-bonded Turntrans-83.6-21.3171.751.40000112.7T614 D618T614-S616 PolarHBondContact O-N 2.96Å; T614-S616 VanDerWaalsContact O-N 3.13Å; T614-S616 PolarHBondContact OG1-OG 3.31Å; S616-D618 VanDerWaalsContact C-N 3.31Å
617D89.7Confident88.6Confident80 Ų80103.7 Ų103.743%0.42853%0.533SS..SBendtrans-95.810.7-175.4-49.2-28.6000111.6G612 T614 I619G612-D617 WeakPolarHBondContact CA-O 3.43Å; T614-D617 PolarHBondContact O-N 3.29Å; T614-D617 PolarHBondContact OG1-OD1 3Å; T614-D617 PolarHBondContact OG1-OD2 2.98Å; D617-I619 PolarHBondContact O-N 3.48Å
618D91.4Very high88.8Confident40 Ų40103.3 Ų103.321%0.21454%0.537CS..  trans-62.2121.8173.9-74.3-7.9000109.2I609 I610 P611 G612 S616 Y620I609-D618 HydrophobicContact CG2-CB 3.72Å; I610-D618 WeakPolarHBondContact O-CA 3.45Å; P611-D618 WeakPolarHBondContact CA-OD1 3.4Å; G612-D618 PolarHBondContact N-OD1 3.37Å; S616-D618 VanDerWaalsContact C-N 3.31Å; D618-Y620 WeakPolarHBondContact O-CD2 3.46Å; D618-Y620 PolarHBondContact O-N 3.08Å
619I87.7Confident89Confident104 Ų104101.9 Ų101.953%0.53353%0.528SS..EExtended strand (participates in β ladder)trans-86.1108.2179.7-56.5168.8000108I609 I610 D617 C621I609-I619 WeakPolarHBondContact CA-O 3.27Å; I610-I619 HydrophobicContact CB-CB 4.2Å; I610-I619 PolarHBondContact N-O 3.42Å; I610-I619 PolarHBondContact O-N 2.95Å; D617-I619 PolarHBondContact O-N 3.48Å; I619-C621 PolarHBondContact O-N 2.8Å
620Y89.1Confident89.1Confident143 Ų143103.6 Ų103.656%0.56154%0.543SS*.EExtended strand (participates in β ladder)trans-74.6102.1173.1-62.6-81.9000109.8C606 I609 D618 R622C606-Y620 HydrophobicContact CB-CD1 4.25Å; I609-Y620 HydrophobicContact CD1-CD1 4.05Å; I609-Y620 HydrophobicContact CD1-CE1 3.78Å; I609-Y620 HydrophobicContact CG1-CD1 3.82Å; I609-Y620 HydrophobicContact CG1-CE1 4.04Å; I609-Y620 HydrophobicContact CG2-CD1 4.43Å; I609-Y620 HydrophobicContact CG2-CE1 4.34Å; D618-Y620 WeakPolarHBondContact O-CD2 3.46Å; D618-Y620 PolarHBondContact O-N 3.08Å; Y620-R622 PolarHBondContact O-N 3.26Å
621C88.5Confident89.2Confident33 Ų33101.5 Ų101.522%0.22353%0.533CS..EExtended strand (participates in β ladder)trans-79.1114.9177.4-66.10000109.5C606 E607 D608 I610 I619C606-C621 WeakPolarHBondContact CA-O 3.4Å; C606-C621 WeakPolarHBondContact CB-O 3.28Å; E607-C621 PolarHBondContact N-O 2.82Å; D608-C621 HydrophobicContact CB-CB 3.96Å; D608-C621 PolarHBondContact N-O 2.96Å; D608-C621 WeakPolarHBondContact O-CB 3.35Å; D608-C621 PolarHBondContact O-N 3.29Å; I610-C621 WeakPolarHBondContact CD1-SG 3.16Å; I619-C621 PolarHBondContact O-N 2.8Å
622R87.4Confident89.2Confident103 Ų103102.4 Ų102.439%0.38953%0.532SS..  trans-120.5119.8166.8-178.1129.159169.32.9110.7L604 H605 E607 Y620 K624L604-R622 PolarHBondContact O-NH1 3.18Å; H605-R622 VanDerWaalsContact C-CZ 3.43Å; H605-R622 VanDerWaalsContact CA-NH1 3.34Å; H605-R622 PolarHBondContact O-NE 3.13Å; H605-R622 PolarHBondContact O-NH1 3.49Å; H605-R622 PolarHBondContact O-NH2 3.26Å; E607-R622 WeakPolarHBondContact OE2-CA 3.17Å; Y620-R622 PolarHBondContact O-N 3.26Å; R622-K624 PolarHBondContact O-N 3.34Å
623F88.6Confident89.4Confident141 Ų141102.7 Ų102.762%0.61853%0.527SS*.  trans-66.9129.4173-69.6-76000110.1E607 Y625E607-F623 HydrophobicContact CB-CD2 4.46Å; E607-F623 HydrophobicContact CG-CD2 4.46Å; E607-F623 PolarHBondContact OE2-N 3.22Å; F623-Y625 HydrophobicContact CB-CE2 4.31Å
624K85.5Confident89.4Confident194 Ų19497.6 Ų97.684%0.84350%0.498SS*.  trans-112.6106.3174.1-65-178.1-176.5178.20108.1R622R622-K624 PolarHBondContact O-N 3.34Å
625Y86.2Confident89.4Confident199 Ų19995.3 Ų95.378%0.7848%0.484SS*.PPolyproline II helixtrans-77.4142.2171.3-64.5-78.4000109.8F623F623-Y625 HydrophobicContact CB-CE2 4.31Å
626R87.5Confident89.8Confident113 Ų11392.9 Ų92.943%0.42647%0.466SS..PPolyproline II helixtrans-84.1131.4170.4175.4-177.1166.279.49.2108.2V628 L661 E666R626-V628 HydrophobicContact CG-CG2 4.08Å; R626-V628 PolarHBondContact O-N 3.22Å; R626-L661 PolarHBondContact NE-O 2.71Å; R626-L661 PolarHBondContact NH2-O 3Å; R626-E666 IonicContact CZ-OE1 3.22Å; R626-E666 IonicContact NE-OE1 2.68Å; R626-E666 PolarHBondContact NE-OE1 3.35Å; R626-E666 VanDerWaalsContact NE-OE1 3.09Å; R626-E666 IonicContact NH2-OE1 2.69Å; R626-E666 PolarHBondContact NH2-OE1 2.97Å; R626-E666 IonicContact NH2-OE2 3.56Å
627N89.6Confident89.8Confident151 Ų15193.3 Ų93.381%0.80747%0.465SS*.PPolyproline II helixtrans-73.6120.1169.9-64.532.3000108.4
628V89.7Confident89.8Confident90 Ų9095.2 Ų95.255%0.54547%0.471SS..  trans-117142.9-178.1176.20000108.7R626 E666R626-V628 HydrophobicContact CG-CG2 4.08Å; R626-V628 PolarHBondContact O-N 3.22Å; V628-E666 HydrophobicContact CG1-CG 4.4Å
629M90Very high89.7Confident64 Ų6494.8 Ų94.832%0.31547%0.468SS..  trans-68.7137.4174.7-69.6-173.263.400111.3N631 H663 E666 I667M629-N631 PolarHBondContact O-N 2.78Å; M629-H663 VanDerWaalsContact SD-CE1 3.54Å; M629-E666 PolarHBondContact N-OE2 2.94Å; M629-I667 HydrophobicContact SD-CD1 4.38Å; M629-I667 HydrophobicContact SD-CG1 3.64Å
630P92.1Very high89.8Confident106 Ų10693.3 Ų93.369%0.68846%0.46SS*.  trans-62.3126.5174.626.6-33.4000110.2
631N92.1Very high89.8Confident40 Ų4092.3 Ų92.321%0.21446%0.464CS..  trans-132.7112.8-176.7-176.59.7000110.7M629 F633 D669M629-N631 PolarHBondContact O-N 2.78Å; N631-F633 VanDerWaalsContact C-N 3.34Å; N631-F633 HydrophobicContact CB-CE2 4.4Å; N631-F633 VanDerWaalsContact ND2-CE1 3.29Å; N631-F633 WeakPolarHBondContact ND2-CE1 3.5Å; N631-F633 WeakPolarHBondContact ND2-CZ 3.42Å; N631-F633 WeakPolarHBondContact O-CD2 3.4Å; N631-F633 WeakPolarHBondContact O-CE2 3.49Å; N631-F633 PolarHBondContact OD1-N 2.96Å; N631-D669 PolarHBondContact ND2-OD2 3.44Å; N631-D669 VanDerWaalsContact ND2-OD2 3.13Å
632D92.1Very high89.7Confident124 Ų12495.9 Ų95.966%0.66348%0.476SS*.  trans-88.30.5-179.5-56-33.8000113G634 L635D632-G634 PolarHBondContact O-N 3.06Å; D632-L635 PolarHBondContact O-N 3.36Å
633F94.1Very high89.6Confident29 Ų2991.1 Ų91.113%0.12746%0.458CS..THydrogen-bonded Turntrans51.424.4-179-59.3-86.1000115N631 L635 W651 V652 I657 D669 Y673N631-F633 VanDerWaalsContact C-N 3.34Å; N631-F633 HydrophobicContact CB-CE2 4.4Å; N631-F633 VanDerWaalsContact ND2-CE1 3.29Å; N631-F633 WeakPolarHBondContact ND2-CE1 3.5Å; N631-F633 WeakPolarHBondContact ND2-CZ 3.42Å; N631-F633 WeakPolarHBondContact O-CD2 3.4Å; N631-F633 WeakPolarHBondContact O-CE2 3.49Å; N631-F633 PolarHBondContact OD1-N 2.96Å; F633-L635 VanDerWaalsContact C-N 3.33Å; F633-W651 PolarHBondContact O-NE1 3.29Å; F633-V652 HydrophobicContact CB-CG2 3.95Å; F633-V652 HydrophobicContact CD1-CB 4.49Å; F633-V652 HydrophobicContact CD1-CG1 3.93Å; F633-V652 HydrophobicContact CD1-CG2 3.96Å; F633-V652 HydrophobicContact CE1-CG1 4.05Å; F633-V652 HydrophobicContact CG-CG1 4.43Å; F633-V652 HydrophobicContact CG-CG2 4.17Å; F633-I657 HydrophobicContact CE1-CG1 4.48Å; F633-I657 HydrophobicContact CE2-CB 4.48Å; F633-I657 HydrophobicContact CE2-CG1 3.94Å; F633-I657 HydrophobicContact CE2-CG2 4.16Å; F633-I657 HydrophobicContact CZ-CB 4.34Å; F633-I657 HydrophobicContact CZ-CG1 3.89Å; F633-I657 HydrophobicContact CZ-CG2 4.36Å; F633-D669 WeakPolarHBondContact CD1-OD2 3.26Å; F633-D669 WeakPolarHBondContact CE1-OD2 3.4Å; F633-Y673 HydrophobicContact CB-CG 4.4Å; F633-Y673 AromaticContact CD1-CD2 3.84Å; F633-Y673 HydrophobicContact CD1-CD2 3.84Å; F633-Y673 AromaticContact CD1-CE2 3.81Å; F633-Y673 HydrophobicContact CD1-CE2 3.81Å; F633-Y673 HydrophobicContact CE1-CE2 4.47Å; F633-Y673 WeakPolarHBondContact O-CD1 3.48Å
634G91.7Very high89.6Confident23 Ų2387.3 Ų87.324%0.23745%0.445CS..THydrogen-bonded Turntrans77.111.6-179.900000115D632 K682D632-G634 PolarHBondContact O-N 3.06Å; G634-K682 WeakPolarHBondContact O-CD 3.24Å; G634-K682 PolarHBondContact O-NZ 2.83Å
635L92Very high89.8Confident19 Ų1981.4 Ų81.410%0.09943%0.426CS..  trans-105.4137.7175.1-58.3-177.5000111D632 F633 E639 I640 L648 K682 I686D632-L635 PolarHBondContact O-N 3.36Å; F633-L635 VanDerWaalsContact C-N 3.33Å; L635-E639 WeakPolarHBondContact CA-OE2 3.32Å; L635-I640 HydrophobicContact CB-CD1 4Å; L635-I640 HydrophobicContact CB-CG1 3.67Å; L635-I640 HydrophobicContact CD1-CG1 4.02Å; L635-L648 HydrophobicContact CD1-CD2 3.55Å; L635-K682 HydrophobicContact CD2-CD 3.66Å; L635-K682 VanDerWaalsContact CD2-CE 3.43Å; L635-K682 HydrophobicContact CD2-CG 3.9Å; L635-I686 HydrophobicContact CD1-CD1 4.21Å; L635-I686 HydrophobicContact CD2-CD1 3.4Å; L635-I686 VanDerWaalsContact CD2-CD1 3.4Å; L635-I686 HydrophobicContact CG-CD1 4.47Å
636S91.6Very high90Very high53 Ų5380.5 Ų80.537%0.37143%0.426SS..  trans-82.1159.9169.177.50000110.4E638 E639 I640S636-E638 PolarHBondContact O-N 2.9Å; S636-E639 PolarHBondContact N-OE2 3.38Å; S636-E639 PolarHBondContact O-N 3.39Å; S636-E639 VanDerWaalsContact O-N 3.13Å; S636-E639 VanDerWaalsContact OG-CG 3.31Å; S636-E639 WeakPolarHBondContact OG-CG 3.48Å; S636-E639 PolarHBondContact OG-N 2.92Å; S636-E639 PolarHBondContact OG-OE2 3.2Å; S636-I640 WeakPolarHBondContact O-CG1 3.38Å; S636-I640 PolarHBondContact O-N 3Å
637T88.9Confident90.2Very high110 Ų11077 Ų7768%0.67542%0.415SS*.Hα-helixtrans-56.1-38.9178.252.40000112.5I640 L641T637-I640 PolarHBondContact O-N 2.79Å; T637-L641 VanDerWaalsContact O-CG 3.29Å; T637-L641 WeakPolarHBondContact O-CG 3.49Å; T637-L641 PolarHBondContact O-N 3.28Å; T637-L641 VanDerWaalsContact O-N 3.12Å
638E89.4Confident90.3Very high120 Ų12071.5 Ų71.556%0.56139%0.385SS*.Hα-helixtrans-68.1-37.7178-64.8-172.9-157.300113.2S636 L641 K642S636-E638 PolarHBondContact O-N 2.9Å; E638-L641 PolarHBondContact O-N 3.21Å; E638-K642 WeakPolarHBondContact O-CB 3.29Å; E638-K642 VanDerWaalsContact O-CG 3.3Å; E638-K642 WeakPolarHBondContact O-CG 3.41Å; E638-K642 PolarHBondContact O-N 2.87Å; E638-K642 VanDerWaalsContact O-N 3.08Å; E638-K642 IonicContact OE2-NZ 3.3Å; E638-K642 PolarHBondContact OE2-NZ 3.06Å
639E90Very high90.4Very high31 Ų3171.1 Ų71.115%0.14538%0.38CS..Hα-helixtrans-69.9-39.2178.2-66.5164.7153.600110.8L635 S636 L641 K642 A643 K682 L689L635-E639 WeakPolarHBondContact CA-OE2 3.32Å; S636-E639 PolarHBondContact N-OE2 3.38Å; S636-E639 PolarHBondContact O-N 3.39Å; S636-E639 VanDerWaalsContact O-N 3.13Å; S636-E639 VanDerWaalsContact OG-CG 3.31Å; S636-E639 WeakPolarHBondContact OG-CG 3.48Å; S636-E639 PolarHBondContact OG-N 2.92Å; S636-E639 PolarHBondContact OG-OE2 3.2Å; E639-L641 VanDerWaalsContact C-N 3.28Å; E639-L641 PolarHBondContact O-N 3.24Å; E639-K642 PolarHBondContact O-N 3.07Å; E639-A643 WeakPolarHBondContact O-CB 3.48Å; E639-A643 PolarHBondContact O-N 3.06Å; E639-K682 VanDerWaalsContact CD-CE 3.41Å; E639-K682 VanDerWaalsContact OE1-CE 3.22Å; E639-K682 WeakPolarHBondContact OE1-CE 3.39Å; E639-K682 IonicContact OE1-NZ 2.81Å; E639-K682 PolarHBondContact OE1-NZ 3.4Å; E639-K682 WeakPolarHBondContact OE2-CE 3.36Å; E639-K682 IonicContact OE2-NZ 3.51Å; E639-K682 PolarHBondContact OE2-NZ 2.96Å; E639-L689 HydrophobicContact CG-CD1 3.82Å; E639-L689 HydrophobicContact CG-CD2 4.39Å
640I90.7Very high90.5Very high74 Ų7471.4 Ų71.438%0.37939%0.393SS..Hα-helixtrans-60.7-40.6174.7-64.7166.7000110.5L635 S636 T637 L648L635-I640 HydrophobicContact CB-CD1 4Å; L635-I640 HydrophobicContact CB-CG1 3.67Å; L635-I640 HydrophobicContact CD1-CG1 4.02Å; S636-I640 WeakPolarHBondContact O-CG1 3.38Å; S636-I640 PolarHBondContact O-N 3Å; T637-I640 PolarHBondContact O-N 2.79Å; I640-L648 HydrophobicContact CG2-CD1 4.31Å
641L87.4Confident90.5Very high121 Ų12167.2 Ų67.263%0.63436%0.363SS*.Hα-helixtrans-77-27-178-69.9174.2000114T637 E638 E639 W696T637-L641 VanDerWaalsContact O-CG 3.29Å; T637-L641 WeakPolarHBondContact O-CG 3.49Å; T637-L641 PolarHBondContact O-N 3.28Å; T637-L641 VanDerWaalsContact O-N 3.12Å; E638-L641 PolarHBondContact O-N 3.21Å; E639-L641 VanDerWaalsContact C-N 3.28Å; E639-L641 PolarHBondContact O-N 3.24Å; L641-W696 VanDerWaalsContact O-CD1 3.24Å
642K86.2Confident90.6Very high108 Ų10865.7 Ų65.747%0.4736%0.355SS..Hα-helixtrans-90.5-30.2-179.2-68.5170.2-170.9163.60112.7E638 E639E638-K642 WeakPolarHBondContact O-CB 3.29Å; E638-K642 VanDerWaalsContact O-CG 3.3Å; E638-K642 WeakPolarHBondContact O-CG 3.41Å; E638-K642 PolarHBondContact O-N 2.87Å; E638-K642 VanDerWaalsContact O-N 3.08Å; E638-K642 IonicContact OE2-NZ 3.3Å; E638-K642 PolarHBondContact OE2-NZ 3.06Å; E639-K642 PolarHBondContact O-N 3.07Å
643A87Confident90.6Very high3 Ų362.5 Ų62.53%0.02534%0.342CS..SBendtrans-74.6149.1-176.400000112.7E639 L648 I686 S688E639-A643 WeakPolarHBondContact O-CB 3.48Å; E639-A643 PolarHBondContact O-N 3.06Å; A643-L648 HydrophobicContact CB-CD2 3.81Å; A643-L648 HydrophobicContact CB-CG 3.98Å; A643-I686 HydrophobicContact CB-CG2 3.78Å; A643-S688 WeakPolarHBondContact CA-OG 3.34Å
644D88.2Confident90.4Very high62 Ų6266.2 Ų66.233%0.33236%0.363SS..  trans-69.5142.2174.6-71.5-15000110.6K646 E647 L648 W696D644-K646 PolarHBondContact O-N 3.38Å; D644-E647 HydrophobicContact CB-CG 4.29Å; D644-E647 WeakPolarHBondContact O-CB 3.34Å; D644-E647 PolarHBondContact O-N 3.39Å; D644-L648 PolarHBondContact O-N 3.01Å; D644-W696 WeakPolarHBondContact OD1-CA 3.49Å
645P88.8Confident90.5Very high69 Ų6973.7 Ų73.745%0.44839%0.389SS..Hα-helixtrans-58.9-25.5179.623.8-34.4000112.9N649P645-N649 WeakPolarHBondContact O-CB 3.34Å; P645-N649 VanDerWaalsContact O-CG 3.32Å; P645-N649 PolarHBondContact O-N 3.28Å; P645-N649 PolarHBondContact O-ND2 3.12Å
646K90.5Very high90.5Very high180 Ų18077.6 Ų77.678%0.78340%0.402SS*.Hα-helixtrans-68.8-40.4174.1-65.2-179.5-178175.80112.1D644 A650D644-K646 PolarHBondContact O-N 3.38Å; K646-A650 WeakPolarHBondContact O-CB 3.45Å; K646-A650 PolarHBondContact O-N 2.94Å
647E91.8Very high90.5Very high41 Ų4179.2 Ų79.219%0.19241%0.406CS..Hα-helixtrans-71-38.7176.1-65.1-169.7160.900111.1D644 A650 W651 I686 G687 S688D644-E647 HydrophobicContact CB-CG 4.29Å; D644-E647 WeakPolarHBondContact O-CB 3.34Å; D644-E647 PolarHBondContact O-N 3.39Å; E647-A650 WeakPolarHBondContact O-CB 3.41Å; E647-A650 PolarHBondContact O-N 3.32Å; E647-W651 PolarHBondContact O-N 2.95Å; E647-I686 WeakPolarHBondContact OE2-CA 3.46Å; E647-I686 WeakPolarHBondContact OE2-CG2 3.48Å; E647-G687 PolarHBondContact OE1-N 3.09Å; E647-G687 PolarHBondContact OE2-N 2.87Å; E647-S688 PolarHBondContact OE1-N 3.42Å; E647-S688 VanDerWaalsContact OE1-N 3.08Å; E647-S688 WeakPolarHBondContact OE2-CB 3.38Å; E647-S688 PolarHBondContact OE2-N 2.72Å; E647-S688 VanDerWaalsContact OE2-N 3.08Å; E647-S688 PolarHBondContact OE2-OG 3.09Å
648L91.8Very high90.5Very high34 Ų3478.7 Ų78.718%0.17840%0.403CS..Hα-helixtrans-61.2-47.1174.1-66.1177.6000111.4L635 I640 A643 D644 A650 W651 V652 I686L635-L648 HydrophobicContact CD1-CD2 3.55Å; I640-L648 HydrophobicContact CG2-CD1 4.31Å; A643-L648 HydrophobicContact CB-CD2 3.81Å; A643-L648 HydrophobicContact CB-CG 3.98Å; D644-L648 PolarHBondContact O-N 3.01Å; L648-A650 VanDerWaalsContact C-N 3.29Å; L648-A650 PolarHBondContact O-N 3.36Å; L648-W651 WeakPolarHBondContact O-CB 3.47Å; L648-W651 PolarHBondContact O-N 2.87Å; L648-W651 VanDerWaalsContact O-N 3.08Å; L648-V652 PolarHBondContact O-N 3.29Å; L648-I686 HydrophobicContact CD2-CD1 4.45Å
649N92.4Very high90.7Very high82 Ų8275.2 Ų75.244%0.43940%0.395SS..Hα-helixtrans-65.5-30.6175.8-77.8-29.2000112.9P645 W651 V652 S653P645-N649 WeakPolarHBondContact O-CB 3.34Å; P645-N649 VanDerWaalsContact O-CG 3.32Å; P645-N649 PolarHBondContact O-N 3.28Å; P645-N649 PolarHBondContact O-ND2 3.12Å; N649-W651 VanDerWaalsContact C-N 3.33Å; N649-V652 CarbonylContact O-C 3.6Å; N649-S653 WeakPolarHBondContact O-CA 3.39Å; N649-S653 PolarHBondContact O-N 3.44Å
650A91.3Very high90.8Very high71 Ų7184 Ų8459%0.58743%0.428SS*.Hα-helixtrans-71.5-27.9172.600000112.6K646 E647 L648 V685K646-A650 WeakPolarHBondContact O-CB 3.45Å; K646-A650 PolarHBondContact O-N 2.94Å; E647-A650 WeakPolarHBondContact O-CB 3.41Å; E647-A650 PolarHBondContact O-N 3.32Å; L648-A650 VanDerWaalsContact C-N 3.29Å; L648-A650 PolarHBondContact O-N 3.36Å; A650-V685 HydrophobicContact CB-CG1 3.95Å
651W93Very high90.7Very high18 Ų1881.8 Ų81.87%0.06842%0.417CS..Hα-helixtrans-74.7-58.5173-178.3-115.9000111.5F633 E647 L648 N649 Y673 Q678 R681 K682 V685 I686F633-W651 PolarHBondContact O-NE1 3.29Å; E647-W651 PolarHBondContact O-N 2.95Å; L648-W651 WeakPolarHBondContact O-CB 3.47Å; L648-W651 PolarHBondContact O-N 2.87Å; L648-W651 VanDerWaalsContact O-N 3.08Å; N649-W651 VanDerWaalsContact C-N 3.33Å; W651-Y673 AromaticContact CZ2-CD1 3.71Å; W651-Y673 HydrophobicContact CZ2-CD1 3.71Å; W651-Y673 HydrophobicContact CZ2-CE1 4.03Å; W651-Q678 HydrophobicContact CH2-CB 3.91Å; W651-Q678 WeakPolarHBondContact CH2-O 3.3Å; W651-Q678 HydrophobicContact CZ2-CB 4.2Å; W651-R681 HydrophobicContact CH2-CB 4.16Å; W651-R681 HydrophobicContact CZ3-CB 3.77Å; W651-K682 HydrophobicContact CD2-CB 4.46Å; W651-K682 HydrophobicContact CE3-CB 4.28Å; W651-K682 HydrophobicContact CH2-CB 3.71Å; W651-K682 HydrophobicContact CZ2-CB 3.83Å; W651-K682 HydrophobicContact CZ2-CG 4.45Å; W651-K682 VanDerWaalsContact CZ3-CA 3.44Å; W651-K682 HydrophobicContact CZ3-CB 3.93Å; W651-V685 HydrophobicContact CB-CG1 4.13Å; W651-V685 HydrophobicContact CE3-CB 3.98Å; W651-V685 HydrophobicContact CE3-CG1 4.2Å; W651-V685 HydrophobicContact CE3-CG2 4.1Å; W651-V685 HydrophobicContact CZ3-CG2 4.36Å; W651-I686 HydrophobicContact CB-CD1 4.35Å; W651-I686 HydrophobicContact CB-CG1 4.44Å; W651-I686 HydrophobicContact CG-CD1 4.34Å
652V93.3Very high91.1Very high8 Ų878.6 Ų78.65%0.04840%0.404CS..SBendtrans-136.4115.3172.9-177.80000108.8F633 L648 N649 R656 I657 Y673F633-V652 HydrophobicContact CB-CG2 3.95Å; F633-V652 HydrophobicContact CD1-CB 4.49Å; F633-V652 HydrophobicContact CD1-CG1 3.93Å; F633-V652 HydrophobicContact CD1-CG2 3.96Å; F633-V652 HydrophobicContact CE1-CG1 4.05Å; F633-V652 HydrophobicContact CG-CG1 4.43Å; F633-V652 HydrophobicContact CG-CG2 4.17Å; L648-V652 PolarHBondContact O-N 3.29Å; N649-V652 CarbonylContact O-C 3.6Å; V652-R656 HydrophobicContact CG1-CB 3.93Å; V652-R656 HydrophobicContact CG1-CG 4.06Å; V652-I657 HydrophobicContact CG1-CD1 4.18Å; V652-I657 HydrophobicContact CG1-CG1 3.71Å; V652-Y673 HydrophobicContact CG2-CD1 4.36Å; V652-Y673 HydrophobicContact CG2-CE1 3.56Å; V652-Y673 HydrophobicContact CG2-CE2 4.29Å
653S93.3Very high91.3Very high56 Ų5677.9 Ų77.939%0.39240%0.403SS..  trans-61.9142.9176.565.20000111.2N649 K655 R656N649-S653 WeakPolarHBondContact O-CA 3.39Å; N649-S653 PolarHBondContact O-N 3.44Å; S653-K655 PolarHBondContact O-N 2.85Å; S653-K655 VanDerWaalsContact O-N 3.12Å; S653-R656 VanDerWaalsContact O-CB 3.31Å; S653-R656 WeakPolarHBondContact O-CB 3.2Å; S653-R656 PolarHBondContact O-N 3.34Å
654L90Very high91.7Very high107 Ų10782.7 Ų82.756%0.5643%0.428SS*.Hα-helixtrans-54.6-33176.3-171.263.4000113.8R656 I657 T658L654-R656 PolarHBondContact O-N 2.96Å; L654-I657 PolarHBondContact O-N 3.26Å; L654-T658 HydrophobicContact CD1-CG2 4.36Å; L654-T658 HydrophobicContact CG-CG2 4.48Å; L654-T658 PolarHBondContact O-N 2.9Å; L654-T658 VanDerWaalsContact O-N 3.15Å; L654-T658 PolarHBondContact O-OG1 3.47Å
655K93.1Very high92Very high180 Ų18084 Ų8478%0.78343%0.432SS*.Hα-helixtrans-58.1-34.4174.4-68-176.2179-177.60112.4S653 A659S653-K655 PolarHBondContact O-N 2.85Å; S653-K655 VanDerWaalsContact O-N 3.12Å; K655-A659 WeakPolarHBondContact O-CB 3.43Å; K655-A659 PolarHBondContact O-N 3.31Å
656R92.1Very high92.3Very high102 Ų10281.1 Ų81.139%0.38541%0.413SS..Hα-helixtrans-73-37.9179.4-175.563.9172.1-177.93.1112V652 S653 L654 D669V652-R656 HydrophobicContact CG1-CB 3.93Å; V652-R656 HydrophobicContact CG1-CG 4.06Å; S653-R656 VanDerWaalsContact O-CB 3.31Å; S653-R656 WeakPolarHBondContact O-CB 3.2Å; S653-R656 PolarHBondContact O-N 3.34Å; L654-R656 PolarHBondContact O-N 2.96Å; R656-D669 IonicContact CZ-OD1 3.3Å; R656-D669 IonicContact NE-OD1 2.69Å; R656-D669 PolarHBondContact NE-OD1 3.2Å; R656-D669 IonicContact NH2-OD1 3.9Å; R656-D669 PolarHBondContact NH2-OD1 3.37Å
657I90.7Very high92.5Very high87 Ų8775 Ų7545%0.44639%0.388SS..Hα-helixtrans-71.1-38.1-177.9-57.4175000111.1F633 V652 L654F633-I657 HydrophobicContact CE1-CG1 4.48Å; F633-I657 HydrophobicContact CE2-CB 4.48Å; F633-I657 HydrophobicContact CE2-CG1 3.94Å; F633-I657 HydrophobicContact CE2-CG2 4.16Å; F633-I657 HydrophobicContact CZ-CB 4.34Å; F633-I657 HydrophobicContact CZ-CG1 3.89Å; F633-I657 HydrophobicContact CZ-CG2 4.36Å; V652-I657 HydrophobicContact CG1-CD1 4.18Å; V652-I657 HydrophobicContact CG1-CG1 3.71Å; L654-I657 PolarHBondContact O-N 3.26Å
658T90.5Very high92.5Very high99 Ų9979 Ų7961%0.60740%0.404SS*.Hα-helixtrans-88.6-8.5-175.252.60000113.9L654L654-T658 HydrophobicContact CD1-CG2 4.36Å; L654-T658 HydrophobicContact CG-CG2 4.48Å; L654-T658 PolarHBondContact O-N 2.9Å; L654-T658 VanDerWaalsContact O-N 3.15Å; L654-T658 PolarHBondContact O-OG1 3.47Å
659A92.3Very high92.6Very high47 Ų4777.4 Ų77.439%0.38840%0.396SS..SBendtrans-70.6139.2-179.200000112.1K655 L661K655-A659 WeakPolarHBondContact O-CB 3.43Å; K655-A659 PolarHBondContact O-N 3.31Å; A659-L661 PolarHBondContact O-N 2.97Å
660Y91.8Very high92.6Very high215 Ų21577 Ų7784%0.84339%0.392SS*.  trans-67.6113.3167.7-74.5-81.5000109.8
661L90Very high92.6Very high28 Ų2879.6 Ų79.615%0.14739%0.392CS..  trans-107.9149.2179.2-69150.9000109.7R626 A659 E665 E666R626-L661 PolarHBondContact NE-O 2.71Å; R626-L661 PolarHBondContact NH2-O 3Å; A659-L661 PolarHBondContact O-N 2.97Å; L661-E665 HydrophobicContact CB-CB 4.32Å; L661-E665 HydrophobicContact CD2-CB 4.03Å; L661-E666 HydrophobicContact CB-CG 3.82Å; L661-E666 VanDerWaalsContact O-OE1 3.11Å
662S94Very high92.7Very high53 Ų5382.4 Ų82.437%0.37141%0.408SS..  trans-73.2160168.363.60000110.6D664 E665 E666S662-D664 VanDerWaalsContact C-N 3.27Å; S662-D664 PolarHBondContact O-N 3.05Å; S662-E665 PolarHBondContact N-OE2 3.04Å; S662-E665 WeakPolarHBondContact O-CB 3.23Å; S662-E665 PolarHBondContact O-N 2.95Å; S662-E665 WeakPolarHBondContact OG-CB 3.36Å; S662-E665 WeakPolarHBondContact OG-CG 3.49Å; S662-E665 PolarHBondContact OG-N 3.31Å; S662-E665 PolarHBondContact OG-OE2 3.47Å; S662-E666 WeakPolarHBondContact O-CG 3.31Å; S662-E666 PolarHBondContact O-N 2.92Å
663H92.4Very high92.7Very high94 Ų9483.2 Ų83.244%0.43541%0.41SS..Hα-helixtrans-61.2-38.8-176.2-175.160.2000111.9M629 E665 E666 I667M629-H663 VanDerWaalsContact SD-CE1 3.54Å; H663-E665 VanDerWaalsContact C-N 3.31Å; H663-E665 PolarHBondContact O-N 2.73Å; H663-E666 IonicContact ND1-OE2 3.59Å; H663-E666 PolarHBondContact O-N 3.45Å; H663-I667 WeakPolarHBondContact O-CG1 3.42Å; H663-I667 PolarHBondContact O-N 3.16Å
664D94.5Very high92.5Very high104 Ų10484.3 Ų84.356%0.55642%0.418SS*.Hα-helixtrans-67.4-30.8176.1-66.7-8.7000112.7S662 K668S662-D664 VanDerWaalsContact C-N 3.27Å; S662-D664 PolarHBondContact O-N 3.05Å; D664-K668 WeakPolarHBondContact O-CD 3.4Å; D664-K668 WeakPolarHBondContact O-CG 3.43Å; D664-K668 PolarHBondContact O-N 3.38Å; D664-K668 VanDerWaalsContact O-N 3.15Å
665E94.7Very high92.6Very high88 Ų8881.7 Ų81.741%0.41141%0.409SS..Hα-helixtrans-75.4-38.8175.3-73167.1153.700111.7L661 S662 H663 I667 K668 D669L661-E665 HydrophobicContact CB-CB 4.32Å; L661-E665 HydrophobicContact CD2-CB 4.03Å; S662-E665 PolarHBondContact N-OE2 3.04Å; S662-E665 WeakPolarHBondContact O-CB 3.23Å; S662-E665 PolarHBondContact O-N 2.95Å; S662-E665 WeakPolarHBondContact OG-CB 3.36Å; S662-E665 WeakPolarHBondContact OG-CG 3.49Å; S662-E665 PolarHBondContact OG-N 3.31Å; S662-E665 PolarHBondContact OG-OE2 3.47Å; H663-E665 VanDerWaalsContact C-N 3.31Å; H663-E665 PolarHBondContact O-N 2.73Å; E665-I667 VanDerWaalsContact C-N 3.35Å; E665-K668 PolarHBondContact O-N 3Å; E665-D669 WeakPolarHBondContact O-CB 3.15Å; E665-D669 PolarHBondContact O-N 3.38Å
666E94.2Very high92.6Very high10 Ų1079.3 Ų79.35%0.04740%0.404CS..Hα-helixtrans-57.2-47.6172.6-67.4163.7-16200110.7R626 V628 M629 L661 S662 H663 D669 Q670R626-E666 IonicContact CZ-OE1 3.22Å; R626-E666 IonicContact NE-OE1 2.68Å; R626-E666 PolarHBondContact NE-OE1 3.35Å; R626-E666 VanDerWaalsContact NE-OE1 3.09Å; R626-E666 IonicContact NH2-OE1 2.69Å; R626-E666 PolarHBondContact NH2-OE1 2.97Å; R626-E666 IonicContact NH2-OE2 3.56Å; V628-E666 HydrophobicContact CG1-CG 4.4Å; M629-E666 PolarHBondContact N-OE2 2.94Å; L661-E666 HydrophobicContact CB-CG 3.82Å; L661-E666 VanDerWaalsContact O-OE1 3.11Å; S662-E666 WeakPolarHBondContact O-CG 3.31Å; S662-E666 PolarHBondContact O-N 2.92Å; H663-E666 IonicContact ND1-OE2 3.59Å; H663-E666 PolarHBondContact O-N 3.45Å; E666-D669 PolarHBondContact O-N 3.13Å; E666-Q670 PolarHBondContact O-N 2.82Å
667I94.9Very high92.6Very high50 Ų5081.3 Ų81.326%0.25641%0.413SS..Hα-helixtrans-60.9-47176.3-66.4165.5000110.8M629 H663 E665 D669 Q670 E671M629-I667 HydrophobicContact SD-CD1 4.38Å; M629-I667 HydrophobicContact SD-CG1 3.64Å; H663-I667 WeakPolarHBondContact O-CG1 3.42Å; H663-I667 PolarHBondContact O-N 3.16Å; E665-I667 VanDerWaalsContact C-N 3.35Å; I667-D669 VanDerWaalsContact C-N 3.29Å; I667-D669 PolarHBondContact O-N 3.3Å; I667-Q670 PolarHBondContact O-N 3.09Å; I667-E671 HydrophobicContact CG2-CG 4.43Å; I667-E671 WeakPolarHBondContact O-CG 3.47Å; I667-E671 PolarHBondContact O-N 3.16Å
668K93.2Very high92.6Very high125 Ų12577.5 Ų77.554%0.54339%0.393SS..Hα-helixtrans-62.6-37.1178.3-74.8167.2-165158.50112.3D664 E665 E671 L672D664-K668 WeakPolarHBondContact O-CD 3.4Å; D664-K668 WeakPolarHBondContact O-CG 3.43Å; D664-K668 PolarHBondContact O-N 3.38Å; D664-K668 VanDerWaalsContact O-N 3.15Å; E665-K668 PolarHBondContact O-N 3Å; K668-E671 PolarHBondContact O-N 2.76Å; K668-L672 WeakPolarHBondContact O-CB 3.41Å; K668-L672 PolarHBondContact O-N 3.48Å
669D93.7Very high92.4Very high2 Ų276.1 Ų76.11%0.01138%0.381CS..Hα-helixtrans-67.8-43.5179-154.274.3000110N631 F633 R656 E665 E666 I667 E671 L672 Y673N631-D669 PolarHBondContact ND2-OD2 3.44Å; N631-D669 VanDerWaalsContact ND2-OD2 3.13Å; F633-D669 WeakPolarHBondContact CD1-OD2 3.26Å; F633-D669 WeakPolarHBondContact CE1-OD2 3.4Å; R656-D669 IonicContact CZ-OD1 3.3Å; R656-D669 IonicContact NE-OD1 2.69Å; R656-D669 PolarHBondContact NE-OD1 3.2Å; R656-D669 IonicContact NH2-OD1 3.9Å; R656-D669 PolarHBondContact NH2-OD1 3.37Å; E665-D669 WeakPolarHBondContact O-CB 3.15Å; E665-D669 PolarHBondContact O-N 3.38Å; E666-D669 PolarHBondContact O-N 3.13Å; I667-D669 VanDerWaalsContact C-N 3.29Å; I667-D669 PolarHBondContact O-N 3.3Å; D669-E671 PolarHBondContact O-N 3.42Å; D669-L672 WeakPolarHBondContact O-CB 3.25Å; D669-L672 PolarHBondContact O-N 2.79Å; D669-Y673 VanDerWaalsContact O-CD2 3.25Å; D669-Y673 WeakPolarHBondContact O-CD2 3.42Å; D669-Y673 PolarHBondContact O-N 3.14Å; D669-Y673 WeakPolarHBondContact OD2-CD2 3.4Å; D669-Y673 WeakPolarHBondContact OD2-CE2 3.42Å
670Q90.8Very high92.2Very high73 Ų7381.9 Ų81.934%0.34140%0.397SS..Hα-helixtrans-59.7-45.7172.4-166.9-178.823.200112.1E666 I667 L672 S674E666-Q670 PolarHBondContact O-N 2.82Å; I667-Q670 PolarHBondContact O-N 3.09Å; Q670-L672 VanDerWaalsContact C-N 3.34Å; Q670-L672 PolarHBondContact O-N 2.75Å; Q670-S674 VanDerWaalsContact O-CB 3.24Å; Q670-S674 WeakPolarHBondContact O-CB 3.47Å; Q670-S674 PolarHBondContact O-N 2.74Å; Q670-S674 PolarHBondContact O-OG 2.89Å
671E93.1Very high92.1Very high125 Ų12576.3 Ų76.358%0.58438%0.375SS*.Hα-helixtrans-63.9-37.4174.9-73.7-178.2174.800112.5I667 K668 D669 S674 S675I667-E671 HydrophobicContact CG2-CG 4.43Å; I667-E671 WeakPolarHBondContact O-CG 3.47Å; I667-E671 PolarHBondContact O-N 3.16Å; K668-E671 PolarHBondContact O-N 2.76Å; D669-E671 PolarHBondContact O-N 3.42Å; E671-S674 WeakPolarHBondContact CA-OG 3.4Å; E671-S674 PolarHBondContact O-OG 3.28Å; E671-S675 PolarHBondContact O-N 2.89Å
672L93.5Very high92.2Very high78 Ų7875.2 Ų75.241%0.40837%0.368SS..Hα-helixtrans-63.9-54.9179-176.577.1000109.9K668 D669 Q670 S675 Q678K668-L672 WeakPolarHBondContact O-CB 3.41Å; K668-L672 PolarHBondContact O-N 3.48Å; D669-L672 WeakPolarHBondContact O-CB 3.25Å; D669-L672 PolarHBondContact O-N 2.79Å; Q670-L672 VanDerWaalsContact C-N 3.34Å; Q670-L672 PolarHBondContact O-N 2.75Å; L672-S675 WeakPolarHBondContact O-CB 3.38Å; L672-S675 PolarHBondContact O-N 3.26Å; L672-S675 VanDerWaalsContact O-N 3.16Å; L672-Q678 HydrophobicContact CG-CG 4.28Å; L672-Q678 WeakPolarHBondContact O-CG 3.48Å
673Y93.3Very high91.7Very high24 Ų2476.3 Ų76.39%0.09437%0.369CS..Hα-helixtrans-74.8-24-175.6-73.6-73.9000113.9F633 W651 V652 D669 S675 Q678F633-Y673 HydrophobicContact CB-CG 4.4Å; F633-Y673 AromaticContact CD1-CD2 3.84Å; F633-Y673 HydrophobicContact CD1-CD2 3.84Å; F633-Y673 AromaticContact CD1-CE2 3.81Å; F633-Y673 HydrophobicContact CD1-CE2 3.81Å; F633-Y673 HydrophobicContact CE1-CE2 4.47Å; F633-Y673 WeakPolarHBondContact O-CD1 3.48Å; W651-Y673 AromaticContact CZ2-CD1 3.71Å; W651-Y673 HydrophobicContact CZ2-CD1 3.71Å; W651-Y673 HydrophobicContact CZ2-CE1 4.03Å; V652-Y673 HydrophobicContact CG2-CD1 4.36Å; V652-Y673 HydrophobicContact CG2-CE1 3.56Å; V652-Y673 HydrophobicContact CG2-CE2 4.29Å; D669-Y673 VanDerWaalsContact O-CD2 3.25Å; D669-Y673 WeakPolarHBondContact O-CD2 3.42Å; D669-Y673 PolarHBondContact O-N 3.14Å; D669-Y673 WeakPolarHBondContact OD2-CD2 3.4Å; D669-Y673 WeakPolarHBondContact OD2-CE2 3.42Å; Y673-S675 VanDerWaalsContact C-N 3.28Å; Y673-Q678 HydrophobicContact CD1-CG 4.45Å
674S90Very high91.4Very high79 Ų7976.7 Ų76.755%0.55238%0.382SS*.Hα-helixtrans-76.1-12.4169.160.10000113.6Q670 E671Q670-S674 VanDerWaalsContact O-CB 3.24Å; Q670-S674 WeakPolarHBondContact O-CB 3.47Å; Q670-S674 PolarHBondContact O-N 2.74Å; Q670-S674 PolarHBondContact O-OG 2.89Å; E671-S674 WeakPolarHBondContact CA-OG 3.4Å; E671-S674 PolarHBondContact O-OG 3.28Å
675S92.5Very high91.1Very high53 Ų5374 Ų7437%0.37137%0.369SS..SBendtrans-65.6138.7178.5-1730000112.7E671 L672 Y673 Y677 Q678 M679E671-S675 PolarHBondContact O-N 2.89Å; L672-S675 WeakPolarHBondContact O-CB 3.38Å; L672-S675 PolarHBondContact O-N 3.26Å; L672-S675 VanDerWaalsContact O-N 3.16Å; Y673-S675 VanDerWaalsContact C-N 3.28Å; S675-Y677 PolarHBondContact O-N 3.47Å; S675-Q678 PolarHBondContact O-N 3.1Å; S675-M679 PolarHBondContact O-N 3.01Å; S675-M679 VanDerWaalsContact O-N 3.1Å
676N91.7Very high90.8Very high130 Ų13069.9 Ų69.970%0.69535%0.35SS*.Hα-helixtrans-52.5-28.6173.9-74-29.6000113.8K680N676-K680 WeakPolarHBondContact O-CG 3.33Å; N676-K680 PolarHBondContact O-N 3.38Å
677Y92.3Very high90.2Very high143 Ų14371.1 Ų71.156%0.56137%0.366SS*.Hα-helixtrans-66.6-41.8175.4171.1-121.9000112S675 K680 R681S675-Y677 PolarHBondContact O-N 3.47Å; Y677-K680 PolarHBondContact O-N 2.89Å; Y677-R681 HydrophobicContact CE2-CG 4.47Å; Y677-R681 VanDerWaalsContact CZ-NE 3.31Å; Y677-R681 PolarHBondContact O-N 2.94Å; Y677-R681 PolarHBondContact OH-NE 3.49Å
678Q92.3Very high89.4Confident7 Ų769.3 Ų69.33%0.03336%0.357CS..Hα-helixtrans-69.5-40.8175.4-68.9-65.723.100111W651 L672 Y673 S675 K680 R681 K682W651-Q678 HydrophobicContact CH2-CB 3.91Å; W651-Q678 WeakPolarHBondContact CH2-O 3.3Å; W651-Q678 HydrophobicContact CZ2-CB 4.2Å; L672-Q678 HydrophobicContact CG-CG 4.28Å; L672-Q678 WeakPolarHBondContact O-CG 3.48Å; Y673-Q678 HydrophobicContact CD1-CG 4.45Å; S675-Q678 PolarHBondContact O-N 3.1Å; Q678-K680 PolarHBondContact O-N 3.5Å; Q678-K680 VanDerWaalsContact O-N 3.13Å; Q678-R681 CarbonylContact O-C 3.46Å; Q678-R681 WeakPolarHBondContact O-CA 3.5Å; Q678-R681 PolarHBondContact O-N 2.89Å; Q678-R681 VanDerWaalsContact OE1-NE 3.16Å; Q678-K682 PolarHBondContact O-N 3.3Å
679M85.4Confident88.5Confident71 Ų7166.1 Ų66.135%0.3535%0.346SS..Hα-helixtrans-57-34176.1-62.1-57.1-75.900113.1S675 K682S675-M679 PolarHBondContact O-N 3.01Å; S675-M679 VanDerWaalsContact O-N 3.1Å; M679-K682 HydrophobicContact SD-CD 4.46Å
680K87.9Confident87.6Confident167 Ų16771.7 Ų71.773%0.72638%0.376SS*.Hα-helixtrans-72.3-37.7173.2-71.4177.4-178.2-177.60113.2N676 Y677 Q678N676-K680 WeakPolarHBondContact O-CG 3.33Å; N676-K680 PolarHBondContact O-N 3.38Å; Y677-K680 PolarHBondContact O-N 2.89Å; Q678-K680 PolarHBondContact O-N 3.5Å; Q678-K680 VanDerWaalsContact O-N 3.13Å
681R90.5Very high86.8Confident99 Ų9972.2 Ų72.237%0.37438%0.381SS..Hα-helixtrans-67.9-37.8175.3-87.6-162.1-85.2158-7111.8W651 Y677 Q678 M683 S684 V685W651-R681 HydrophobicContact CH2-CB 4.16Å; W651-R681 HydrophobicContact CZ3-CB 3.77Å; Y677-R681 HydrophobicContact CE2-CG 4.47Å; Y677-R681 VanDerWaalsContact CZ-NE 3.31Å; Y677-R681 PolarHBondContact O-N 2.94Å; Y677-R681 PolarHBondContact OH-NE 3.49Å; Q678-R681 CarbonylContact O-C 3.46Å; Q678-R681 WeakPolarHBondContact O-CA 3.5Å; Q678-R681 PolarHBondContact O-N 2.89Å; Q678-R681 VanDerWaalsContact OE1-NE 3.16Å; R681-M683 VanDerWaalsContact C-N 3.31Å; R681-M683 PolarHBondContact O-N 3.35Å; R681-S684 CarbonylContact O-C 3.47Å; R681-S684 WeakPolarHBondContact O-CA 3.02Å; R681-S684 WeakPolarHBondContact O-CB 3.38Å; R681-S684 PolarHBondContact O-N 3.13Å; R681-V685 WeakPolarHBondContact O-CG2 3.46Å; R681-V685 PolarHBondContact O-N 2.79Å
682K90.4Very high85.7Confident4 Ų472.2 Ų72.22%0.01739%0.392CS..Hα-helixtrans-51-49.2177.3176.7-175.4158.8-179.40112G634 L635 E639 W651 Q678 M679 S684 V685 I686G634-K682 WeakPolarHBondContact O-CD 3.24Å; G634-K682 PolarHBondContact O-NZ 2.83Å; L635-K682 HydrophobicContact CD2-CD 3.66Å; L635-K682 VanDerWaalsContact CD2-CE 3.43Å; L635-K682 HydrophobicContact CD2-CG 3.9Å; E639-K682 VanDerWaalsContact CD-CE 3.41Å; E639-K682 VanDerWaalsContact OE1-CE 3.22Å; E639-K682 WeakPolarHBondContact OE1-CE 3.39Å; E639-K682 IonicContact OE1-NZ 2.81Å; E639-K682 PolarHBondContact OE1-NZ 3.4Å; E639-K682 WeakPolarHBondContact OE2-CE 3.36Å; E639-K682 IonicContact OE2-NZ 3.51Å; E639-K682 PolarHBondContact OE2-NZ 2.96Å; W651-K682 HydrophobicContact CD2-CB 4.46Å; W651-K682 HydrophobicContact CE3-CB 4.28Å; W651-K682 HydrophobicContact CH2-CB 3.71Å; W651-K682 HydrophobicContact CZ2-CB 3.83Å; W651-K682 HydrophobicContact CZ2-CG 4.45Å; W651-K682 VanDerWaalsContact CZ3-CA 3.44Å; W651-K682 HydrophobicContact CZ3-CB 3.93Å; Q678-K682 PolarHBondContact O-N 3.3Å; M679-K682 HydrophobicContact SD-CD 4.46Å; K682-S684 PolarHBondContact O-N 3.41Å; K682-S684 VanDerWaalsContact O-N 3.15Å; K682-V685 PolarHBondContact O-N 3.15Å; K682-V685 VanDerWaalsContact O-N 3.14Å; K682-I686 HydrophobicContact CG-CD1 4.07Å; K682-I686 PolarHBondContact O-N 2.99Å
683M85Confident84.6Confident77 Ų7774.6 Ų74.638%0.37941%0.405SS..Hα-helixtrans-61.9-22.3177.5-58.3-65.4119.700113.8R681 L689R681-M683 VanDerWaalsContact C-N 3.31Å; R681-M683 PolarHBondContact O-N 3.35Å; M683-L689 HydrophobicContact CE-CD2 3.37Å; M683-L689 HydrophobicContact SD-CD2 3.67Å
684S86.4Confident83.4Confident102 Ų10274.4 Ų74.471%0.71341%0.408SS*.Hα-helixtrans-91.8-26.2177.5-177.20000113.2R681 K682R681-S684 CarbonylContact O-C 3.47Å; R681-S684 WeakPolarHBondContact O-CA 3.02Å; R681-S684 WeakPolarHBondContact O-CB 3.38Å; R681-S684 PolarHBondContact O-N 3.13Å; K682-S684 PolarHBondContact O-N 3.41Å; K682-S684 VanDerWaalsContact O-N 3.15Å
685V88.2Confident82.3Confident48 Ų4872.6 Ų72.629%0.29139%0.393SS..Hα-helixtrans-89.6-40.9-178174.70000110.5A650 W651 R681 K682 G687A650-V685 HydrophobicContact CB-CG1 3.95Å; W651-V685 HydrophobicContact CB-CG1 4.13Å; W651-V685 HydrophobicContact CE3-CB 3.98Å; W651-V685 HydrophobicContact CE3-CG1 4.2Å; W651-V685 HydrophobicContact CE3-CG2 4.1Å; W651-V685 HydrophobicContact CZ3-CG2 4.36Å; R681-V685 WeakPolarHBondContact O-CG2 3.46Å; R681-V685 PolarHBondContact O-N 2.79Å; K682-V685 PolarHBondContact O-N 3.15Å; K682-V685 VanDerWaalsContact O-N 3.14Å; V685-G687 PolarHBondContact O-N 3.32Å
686I87.5Confident81.2Confident1 Ų177.3 Ų77.31%0.00540%0.403CS..  trans-94.180.1177.6-54.4-178.4000107.6L635 A643 E647 L648 W651 K682 S688 L689L635-I686 HydrophobicContact CD1-CD1 4.21Å; L635-I686 HydrophobicContact CD2-CD1 3.4Å; L635-I686 VanDerWaalsContact CD2-CD1 3.4Å; L635-I686 HydrophobicContact CG-CD1 4.47Å; A643-I686 HydrophobicContact CB-CG2 3.78Å; E647-I686 WeakPolarHBondContact OE2-CA 3.46Å; E647-I686 WeakPolarHBondContact OE2-CG2 3.48Å; L648-I686 HydrophobicContact CD2-CD1 4.45Å; W651-I686 HydrophobicContact CB-CD1 4.35Å; W651-I686 HydrophobicContact CB-CG1 4.44Å; W651-I686 HydrophobicContact CG-CD1 4.34Å; K682-I686 HydrophobicContact CG-CD1 4.07Å; K682-I686 PolarHBondContact O-N 2.99Å; I686-S688 VanDerWaalsContact C-N 3.25Å; I686-S688 WeakPolarHBondContact CG2-OG 3.25Å; I686-S688 PolarHBondContact O-N 3.4Å; I686-L689 HydrophobicContact CG2-CB 4.01Å; I686-L689 WeakPolarHBondContact O-CB 3.41Å; I686-L689 PolarHBondContact O-N 3.34Å
687G80.6Confident80.2Confident36 Ų3677.2 Ų77.237%0.37139%0.394SS..G310 helixtrans-65.5-31.618000000112.2E647 V685 L689 N690E647-G687 PolarHBondContact OE1-N 3.09Å; E647-G687 PolarHBondContact OE2-N 2.87Å; V685-G687 PolarHBondContact O-N 3.32Å; G687-L689 PolarHBondContact O-N 3.11Å; G687-L689 VanDerWaalsContact O-N 3.17Å; G687-N690 PolarHBondContact O-N 3.06Å; G687-N690 VanDerWaalsContact O-N 3.13Å
688S79.5Confident78.9Confident11 Ų1176.3 Ų76.38%0.07741%0.406CS..G310 helixtrans-56.3-28.3175.862.40000113.5A643 E647 I686 N690 N691A643-S688 WeakPolarHBondContact CA-OG 3.34Å; E647-S688 PolarHBondContact OE1-N 3.42Å; E647-S688 VanDerWaalsContact OE1-N 3.08Å; E647-S688 WeakPolarHBondContact OE2-CB 3.38Å; E647-S688 PolarHBondContact OE2-N 2.72Å; E647-S688 VanDerWaalsContact OE2-N 3.08Å; E647-S688 PolarHBondContact OE2-OG 3.09Å; I686-S688 VanDerWaalsContact C-N 3.25Å; I686-S688 WeakPolarHBondContact CG2-OG 3.25Å; I686-S688 PolarHBondContact O-N 3.4Å; S688-N690 PolarHBondContact O-N 3.45Å; S688-N691 CarbonylContact O-C 3.48Å; S688-N691 WeakPolarHBondContact O-CA 3.39Å; S688-N691 PolarHBondContact O-N 2.97Å
689L73Confident77.5Confident58 Ų5879.5 Ų79.530%0.30442%0.423SS..G310 helixtrans-63.7-25.5-179.9-169.358.5000113E639 M683 I686 G687 N691E639-L689 HydrophobicContact CG-CD1 3.82Å; E639-L689 HydrophobicContact CG-CD2 4.39Å; M683-L689 HydrophobicContact CE-CD2 3.37Å; M683-L689 HydrophobicContact SD-CD2 3.67Å; I686-L689 HydrophobicContact CG2-CB 4.01Å; I686-L689 WeakPolarHBondContact O-CB 3.41Å; I686-L689 PolarHBondContact O-N 3.34Å; G687-L689 PolarHBondContact O-N 3.11Å; G687-L689 VanDerWaalsContact O-N 3.17Å; L689-N691 VanDerWaalsContact C-N 3.35Å
690N76.2Confident76.3Confident120 Ų12085.2 Ų85.264%0.64245%0.449SS*.G310 helixtrans-85.5-10.1175.1-64.3-33.1000112.8G687 S688 P692G687-N690 PolarHBondContact O-N 3.06Å; G687-N690 VanDerWaalsContact O-N 3.13Å; S688-N690 PolarHBondContact O-N 3.45Å; N690-P692 WeakPolarHBondContact O-CD 3.18Å
691N74.1Confident74.7Confident83 Ų8384.2 Ų84.244%0.44445%0.451SS..  trans-103.5104.3178.8-176.72.5000109.5S688 L689 N693 A694S688-N691 CarbonylContact O-C 3.48Å; S688-N691 WeakPolarHBondContact O-CA 3.39Å; S688-N691 PolarHBondContact O-N 2.97Å; L689-N691 VanDerWaalsContact C-N 3.35Å; N691-N693 PolarHBondContact O-N 2.85Å; N691-N693 VanDerWaalsContact O-N 3.1Å; N691-N693 PolarHBondContact OD1-N 2.8Å; N691-N693 VanDerWaalsContact OD1-N 3.11Å; N691-A694 HydrophobicContact CB-CB 3.79Å; N691-A694 WeakPolarHBondContact O-CB 3.47Å; N691-A694 PolarHBondContact O-N 2.91Å
692P68.9Low72.6Confident126 Ų12686.1 Ų86.182%0.81846%0.464SS*.THydrogen-bonded Turntrans-63.6-19.2-179.327.1-35000113.3N690N690-P692 WeakPolarHBondContact O-CD 3.18Å
693N71.9Confident70.3Confident128 Ų12893.6 Ų93.668%0.68450%0.504SS*.THydrogen-bonded Turntrans-97.21.7176.2-91.414.6000113.3N691 T695N691-N693 PolarHBondContact O-N 2.85Å; N691-N693 VanDerWaalsContact O-N 3.1Å; N691-N693 PolarHBondContact OD1-N 2.8Å; N691-N693 VanDerWaalsContact OD1-N 3.11Å; N693-T695 PolarHBondContact O-N 3.04Å
694A66.5Low68.4Low19 Ų1996 Ų9616%0.15752%0.518CS..  trans-70.3123.4172.500000108.6N691N691-A694 HydrophobicContact CB-CB 3.79Å; N691-A694 WeakPolarHBondContact O-CB 3.47Å; N691-A694 PolarHBondContact O-N 2.91Å
695T67.8Low66.3Low41 Ų4198.9 Ų98.925%0.25252%0.52SS..  trans-139.5137.3168.9-35.30000107.5N693 Y697N693-T695 PolarHBondContact O-N 3.04Å; T695-Y697 HydrophobicContact CG2-CD1 3.48Å; T695-Y697 VanDerWaalsContact CG2-CD1 3.48Å; T695-Y697 HydrophobicContact CG2-CD2 4.33Å; T695-Y697 HydrophobicContact CG2-CE1 3.07Å; T695-Y697 HydrophobicContact CG2-CE2 3.97Å; T695-Y697 HydrophobicContact CG2-CG 4.1Å; T695-Y697 PolarHBondContact O-N 2.93Å
696W69.2Low64Low153 Ų153102 Ų10258%0.5854%0.544SS*.SBendtrans-67.8-18-17481.9-86000113.1L641 D644L641-W696 VanDerWaalsContact O-CD1 3.24Å; D644-W696 WeakPolarHBondContact OD1-CA 3.49Å
697Y70.2Confident61.4Low128 Ų128109.1 Ų109.150%0.50258%0.577SS.*SBendtrans-86.8143.3172.457.5-104.2000110.9T695 N699T695-Y697 HydrophobicContact CG2-CD1 3.48Å; T695-Y697 VanDerWaalsContact CG2-CD1 3.48Å; T695-Y697 HydrophobicContact CG2-CD2 4.33Å; T695-Y697 HydrophobicContact CG2-CE1 3.07Å; T695-Y697 HydrophobicContact CG2-CE2 3.97Å; T695-Y697 HydrophobicContact CG2-CG 4.1Å; T695-Y697 PolarHBondContact O-N 2.93Å; Y697-N699 WeakPolarHBondContact CE2-OD1 3.44Å; Y697-N699 PolarHBondContact O-N 3.25Å; Y697-N699 VanDerWaalsContact O-N 3.13Å
698P64.8Low59.3Low123 Ų123112.3 Ų112.380%0.79959%0.591SS**PPolyproline II helixtrans-57.4119176.5-22.833.1000110.8E700P698-E700 PolarHBondContact O-N 2.87Å
699N63.7Low57.3Low75 Ų75116.1 Ų116.140%0.40162%0.618SS.*PPolyproline II helixtrans-76.3120.5164.5-73.3-15.7000107.1Y697 N701 H702Y697-N699 WeakPolarHBondContact CE2-OD1 3.44Å; Y697-N699 PolarHBondContact O-N 3.25Å; Y697-N699 VanDerWaalsContact O-N 3.13Å; N699-N701 PolarHBondContact O-N 2.88Å; N699-H702 PolarHBondContact O-N 3.38Å
700E59.9Low55.4Low190 Ų190123 Ų12389%0.88865%0.645SS**THydrogen-bonded Turntrans-55.8-9.4-177.4-66.8-160.1161.400114.7P698P698-E700 PolarHBondContact O-N 2.87Å
701N55.1Low53.6Low146 Ų146125.9 Ų125.978%0.78165%0.652SS**THydrogen-bonded Turntrans-10317.1-173.9-64.8-27.4000114.9N699N699-N701 PolarHBondContact O-N 2.88Å
702H45.8Very low51.7Low139 Ų139131.2 Ų131.264%0.64467%0.671SS**  trans-145.348.2-177.7-119.9-66.8000117.2N699 I704N699-H702 PolarHBondContact O-N 3.38Å; H702-I704 PolarHBondContact O-N 3.29Å
703D42.8Very low50.1Low161 Ų161136.8 Ų136.886%0.86168%0.676SS**  trans-80.832156.8-69.3-26.6000112.2E705D703-E705 VanDerWaalsContact C-N 3.28Å; D703-E705 PolarHBondContact O-N 3.44Å
704I44.2Very low48.4Very low128 Ų128142 Ų14266%0.65669%0.686SS**  trans-89.482.5166.5-54.5175.4000106.6H702 S706H702-I704 PolarHBondContact O-N 3.29Å; I704-S706 PolarHBondContact O-N 3Å
705E41.8Very low46.9Very low163 Ų163152.7 Ų152.776%0.76272%0.722SS**  trans-42.7100166.9-65.3175.315500110.3D703 E707D703-E705 VanDerWaalsContact C-N 3.28Å; D703-E705 PolarHBondContact O-N 3.44Å; E705-E707 PolarHBondContact O-N 3.44Å
706S40.2Very low45.3Very low114 Ų114159.8 Ų159.880%0.79775%0.752SS**  trans-79.178.4160.761.40000107.9I704I704-S706 PolarHBondContact O-N 3Å
707E33.4Very low43.7Very low149 Ų149162 Ų16270%0.69677%0.766SS**  trans-45.5122.3170.3-96.5-75.2163.400110.3E705 S709E705-E707 PolarHBondContact O-N 3.44Å; E707-S709 PolarHBondContact O-N 3.49Å
708P37.1Very low41.8Very low104 Ų104165.9 Ų165.968%0.67579%0.786SS**  trans-69.9101.6-172.926.8-33000109.9K710P708-K710 PolarHBondContact O-N 3.1Å
709S37.1Very low40.4Very low91 Ų91170 Ų17064%0.63679%0.791SS**  trans-51.2111.8174.263.90000111.1E707 K711E707-S709 PolarHBondContact O-N 3.49Å; S709-K711 VanDerWaalsContact C-N 3.29Å; S709-K711 PolarHBondContact O-N 3.16Å
710K33.8Very low38.7Very low202 Ų202176 Ų17688%0.87881%0.813SS**  trans-60.179.1177.5-70.5169.7178.8161.90111.3P708 K712P708-K710 PolarHBondContact O-N 3.1Å; K710-K712 PolarHBondContact O-N 3.24Å; K710-K712 VanDerWaalsContact O-N 3.12Å
711K36.8Very low37.1Very low181 Ų181171.8 Ų171.879%0.78781%0.805SS**  trans-80.192.9170.6-75.7-179.2-177.3168.20109.9S709 R713S709-K711 VanDerWaalsContact C-N 3.29Å; S709-K711 PolarHBondContact O-N 3.16Å; K711-R713 PolarHBondContact O-N 2.66Å; K711-R713 VanDerWaalsContact O-N 3.13Å
712K35.8Very low36Very low194 Ų194172.7 Ų172.784%0.84381%0.809SS**  trans-48.2115.9168.9-73.3179.2176.8173.50110.3K710 R714K710-K712 PolarHBondContact O-N 3.24Å; K710-K712 VanDerWaalsContact O-N 3.12Å; K712-R714 PolarHBondContact O-N 2.79Å
713R33.6Very low35Very low244 Ų244174 Ų17492%0.92182%0.815SS**  trans-57.8101.8177.2-67.7169.371.3174.33.1110.6K711 R715K711-R713 PolarHBondContact O-N 2.66Å; K711-R713 VanDerWaalsContact O-N 3.13Å; R713-R715 PolarHBondContact O-N 3.43Å
714R37.2Very low34.4Very low238 Ų238171.6 Ų171.690%0.89881%0.811SS**  trans-79.1113.8168.3-82.3-175.9149.2175.7-5.2109.5K712 H716K712-R714 PolarHBondContact O-N 2.79Å; R714-H716 PolarHBondContact O-N 3.05Å
715R34.1Very low33.6Very low242 Ų242173.3 Ų173.391%0.91382%0.816SS**  trans-60.1121.3177-70.5177.5170.7173.8-3.5110.7R713 K717R713-R715 PolarHBondContact O-N 3.43Å; R715-K717 PolarHBondContact O-N 3.33Å
716H34.9Very low32.9Very low190 Ų190169.6 Ų169.688%0.8881%0.813SS**  trans-62.4110.4173.7-67.7-84.9000111.4R714R714-H716 PolarHBondContact O-N 3.05Å
717K35.7Very low32.6Very low201 Ų201173.9 Ų173.987%0.87482%0.821SS**  trans-96.6109.1160.1-85.6-175.4176.2177.30108.7R715 K719R715-K717 PolarHBondContact O-N 3.33Å; K717-K719 PolarHBondContact O-N 3.42Å
718K31Very low32.2Very low209 Ų209170.4 Ų170.491%0.90983%0.825SS**  trans-53.5118.1169.8-68174.2-178.8177.20109.8
719K34Very low31.9Very low208 Ų208172.4 Ų172.490%0.90484%0.835SS**  trans-121113.1158.8-79.9-169.7175.5-177.70108.5K717K717-K719 PolarHBondContact O-N 3.42Å
720K29.5Very low31.5Very low201 Ų201177.5 Ų177.587%0.87485%0.845SS**  trans-67.7158.8167.5-76.5171.9167.3177.80109.7
721S26.4Very low31.4Very low103 Ų103175.5 Ų175.572%0.7284%0.843SS**  trans80.7104.6148.8-170.10000116.9
722L30.2Very low31.1Very low165 Ų165171.7 Ų171.786%0.86484%0.84SS**  -177.1147.7104.4-99.4152.1000111.2
723H25Very low30.7Very low165 Ų165170.3 Ų170.376%0.76484%0.841SS**  trans-86.7132.4-173.4-156.9-47.9000108.9
724S31.4Very low30.6Very low111 Ų111166.6 Ų166.678%0.77684%0.84SS**  trans-155.389.4161.657.80000105.9
725E26.5Very low30.2Very low164 Ų164158.2 Ų158.277%0.76683%0.828SS**  62.2114.882.1-159118.2-143.600113.1
726A27.3Very low29.8Very low85 Ų85153.7 Ų153.770%0.70282%0.821SS**  trans60.5104.4153.200000119.4
727Q33.8Very low29.5Very low205 Ų205151.8 Ų151.896%0.95882%0.818SS**  -160.2111.1126.3-105165.739.300109.4
728G24.8Very low29Very low75 Ų75149.2 Ų149.277%0.77381%0.814SS**  trans-85.2143.5173.900000111.6
729V32.1Very low29Very low146 Ų146144.7 Ų144.789%0.88581%0.808SS**  trans-137.5125.3150.6178.80000107.3
730K27Very low28.7Very low198 Ų198142.2 Ų142.286%0.86181%0.805SS**  trans-82.6133.9-176.7-63170174.7178.30110.1
731L32.4Very low28.6Very low160 Ų160135.9 Ų135.984%0.83880%0.797SS**  trans-138.294.9154.3-71.5170.2000105
732S30.4Very low28.8Very low102 Ų102138 Ų13871%0.71381%0.805SS**  49.790.8101.466.70000112.1
733D27.7Very low28.9Very low164 Ų164136.8 Ų136.888%0.87780%0.8SS**  73.497.177.4-154.519.4000113.1
734N30.6Very low29.3Very low166 Ų166135 Ų13589%0.88880%0.803SS**  trans-162.4123157.6-1557.9000112.4
735G29.5Very low29.3Very low62 Ų62137.1 Ų137.164%0.63980%0.804SS**  trans67.894.3158.400000117.2
736N25.8Very low29.3Very low147 Ų147137.7 Ų137.779%0.78681%0.806SS**  60100.654.7-140.220.9000114.1
737N29Very low29.6Very low150 Ų150141.7 Ų141.780%0.80281%0.81SS**  175.7107.9119.3-84.7-22.6000110.3
738N24.9Very low29.5Very low148 Ų148138.8 Ų138.879%0.79180%0.801SS**  trans-106.6121.9165.5-163.512.8000105.4
739S31.1Very low29.6Very low113 Ų113143.6 Ų143.679%0.7980%0.804SS**  trans-147110169640000111
740N26.8Very low29.5Very low157 Ų157146.5 Ų146.584%0.8481%0.805SS**  trans-62146.6173-63.6-50.3000111.8
741G28.8Very low29.6Very low68 Ų68143.5 Ų143.570%0.70180%0.798SS**  trans-151102.217400000112.9
742V30.6Very low29.5Very low147 Ų147142.7 Ų142.789%0.89180%0.8SS**  trans85.3114.9144.9-164.80000119
743N31.5Very low29.5Very low140 Ų140146.9 Ų146.975%0.74981%0.808SS**PPolyproline II helixtrans-69150.9175.4-64.1-43.9000114
744P33.1Very low29.6Very low128 Ų128146.7 Ų146.783%0.83181%0.807SS**PPolyproline II helixtrans-79.8130.6155.5-5.424000110.7
745I31.6Very low29.4Very low155 Ų155143.3 Ų143.380%0.79580%0.796SS**PPolyproline II helixtrans-66.2136.4177.9-95.686.1000111.7
746E26.5Very low29.5Very low176 Ų176148.6 Ų148.682%0.82280%0.804SS**PPolyproline II helixtrans-63.4146.5166-61.6167.1154.700111.5
747Q34.2Very low29.6Very low168 Ų168150.8 Ų150.879%0.78581%0.807SS**  trans-174.1125140.4-103165.932.900114.1
748N30.4Very low29.4Very low144 Ų144151 Ų15177%0.7781%0.808SS**  trans82.791.6138.9-61.8-20.8000120.8
749E28.5Very low29.7Very low177 Ų177151.5 Ų151.583%0.82781%0.807SS**  trans-33.1135141.9-60.5168.7164.700114.6
750K29.9Very low29.7Very low207 Ų207156.5 Ų156.590%0.981%0.814SS**  trans-142.9110.8146.1-79.7-166.6179.5177.50109
751D28.8Very low29.9Very low135 Ų135156.4 Ų156.472%0.72281%0.813SS**  trans-65.8137.7171.7-56.2-55.7000111.7
752T30.7Very low29.9Very low143 Ų143156.6 Ų156.688%0.87782%0.815SS**  trans-150.797.914337.30000108
753E28.6Very low30.1Very low189 Ų189159.5 Ų159.588%0.88382%0.815SS**  trans-70.2125.9166-61.7-178.315200108.8
754N30.3Very low30Very low160 Ų160162.6 Ų162.686%0.85682%0.822SS**  trans-139.3105.3158.6-143.54.5000108.9
755S26.2Very low30.1Very low95 Ų95165.8 Ų165.866%0.66482%0.823SS**  trans-67.6137.8170.751.10000110.7
756E32.3Very low29.9Very low173 Ų173168.5 Ų168.581%0.80883%0.829SS**  160.8115.5121.6-84.9-177.6174.500113.1
757K28.5Very low30.4Very low193 Ų193169 Ų16984%0.83983%0.829SS**  trans39.2119.2134.4-80174.3-179169.40120.7
758L25.1Very low30.3Very low156 Ų156172.3 Ų172.382%0.81784%0.836SS**  79.6108.5120.4-150.399.5000117.6
759M31.1Very low30.7Very low158 Ų158170.3 Ų170.378%0.77883%0.829SS**  16699121.3-79.5-122.3-90.500109.5
760K30.2Very low31.4Very low218 Ų218171.3 Ų171.395%0.94883%0.83SS**  trans-89.1103.9167.3-79.4-179.6178.6174.70108.6
761L31.7Very low32Very low154 Ų154167 Ų16781%0.80682%0.817SS**  trans-108.1119.5164-76.8172.2000110.2
762G27.4Very low32.8Very low72 Ų72166.8 Ų166.874%0.74282%0.821SS**  trans56.896.5143.500000119.8
763K35Very low33.7Very low208 Ų208165.4 Ų165.490%0.90481%0.808SS**  trans-133.2106.1146.1-70.7-171179.9175.30110.6
764K29.5Very low34.7Very low205 Ų205166.2 Ų166.289%0.89181%0.808SS**  trans-66.8122.7174-64.2172.8177.81740109.4
765K35Very low36Very low195 Ų195165.1 Ų165.185%0.84880%0.802SS**  trans-133.5108.9157.1-75.7-167.7176.9-177.90108.6K767K765-K767 PolarHBondContact O-N 3.02Å
766K28.7Very low38.1Very low212 Ų212164.8 Ų164.892%0.92279%0.793SS**  trans-63.1117.2175.5-67.8173175.5175.90108.5
767K36.8Very low40.1Very low187 Ų187163.4 Ų163.481%0.81379%0.789SS**  trans-114.8114.2163-75.8-171.7176.4-178.50107.3K765 V769K765-K767 PolarHBondContact O-N 3.02Å; K767-V769 PolarHBondContact O-N 3.17Å
768Y31.7Very low42.4Very low237 Ų237161.8 Ų161.893%0.92978%0.782SS**  trans-66.9113.4163.9-104.2-97000106.9
769V39.8Very low45.1Very low103 Ų103158.6 Ų158.662%0.62477%0.766SS**  trans-107.4113.6168.9179.70000106.3K767 D771K767-V769 PolarHBondContact O-N 3.17Å; V769-D771 VanDerWaalsContact C-N 3.32Å; V769-D771 VanDerWaalsContact CG1-OD1 3.29Å; V769-D771 WeakPolarHBondContact CG1-OD1 3.29Å; V769-D771 PolarHBondContact O-N 3.02Å
770K41.5Very low47.5Very low198 Ų198155.1 Ų155.186%0.86175%0.75SS**  trans-87.675.7-177.9-152.9177.2-171.8-179.70106.9T772K770-T772 PolarHBondContact O-N 2.93Å; K770-T772 VanDerWaalsContact O-N 3.15Å
771D43.4Very low50.2Low115 Ų115148.6 Ų148.662%0.61572%0.722SS**  trans-76.297.5177.5-79.7-19.7000109.7V769 N773V769-D771 VanDerWaalsContact C-N 3.32Å; V769-D771 VanDerWaalsContact CG1-OD1 3.29Å; V769-D771 WeakPolarHBondContact CG1-OD1 3.29Å; V769-D771 PolarHBondContact O-N 3.02Å; D771-N773 PolarHBondContact O-N 3.48Å
772T45.8Very low52.7Low132 Ų132147.3 Ų147.381%0.8171%0.709SS**  trans-78.457.1161.349.30000109.6K770 K774K770-T772 PolarHBondContact O-N 2.93Å; K770-T772 VanDerWaalsContact O-N 3.15Å; T772-K774 PolarHBondContact O-N 3.12Å
773N50.2Low55.4Low113 Ų113147.3 Ų147.360%0.60470%0.698SS**  trans-75.6111173-77-32.2000108.1D771 L775D771-N773 PolarHBondContact O-N 3.48Å; N773-L775 PolarHBondContact O-N 3.45Å
774K48.8Very low58.1Low206 Ų206146.5 Ų146.590%0.89669%0.689SS**  trans-35.8104.2164.7-78.7173.7175.2175.60108.6T772 N776T772-K774 PolarHBondContact O-N 3.12Å; K774-N776 PolarHBondContact O-N 3.41Å
775L56.6Low61Low137 Ų137137.5 Ų137.572%0.71765%0.651SS**  trans-60.9112.3-174.7-68.1173.2000107.6N773 I777 I780N773-L775 PolarHBondContact O-N 3.45Å; L775-I777 PolarHBondContact O-N 2.91Å; L775-I780 HydrophobicContact CB-CD1 4.22Å; L775-I780 HydrophobicContact CB-CG1 4.41Å
776N70.9Confident63.4Low88 Ų88134.8 Ų134.847%0.47164%0.641SS.*  trans-61.2126-177-163-23.4000107.5K774 K778 D779 I780K774-N776 PolarHBondContact O-N 3.41Å; N776-K778 PolarHBondContact O-N 2.87Å; N776-D779 WeakPolarHBondContact O-CB 3.19Å; N776-D779 PolarHBondContact O-N 3.03Å; N776-I780 PolarHBondContact O-N 3.37Å
777I74.7Confident66.3Low144 Ų144129 Ų12974%0.73863%0.633SS**Hα-helixtrans-51.2-29.9-178.1-64.4167.7000111.1L775 I780 F781L775-I777 PolarHBondContact O-N 2.91Å; I777-I780 PolarHBondContact O-N 3.45Å; I777-F781 PolarHBondContact O-N 3.33Å
778K76.2Confident68.7Low160 Ų160123.2 Ų123.270%0.69662%0.62SS**Hα-helixtrans-63.5-37174.8-64.7-177.3179.6179.20113.9N776 K782N776-K778 PolarHBondContact O-N 2.87Å; K778-K782 WeakPolarHBondContact O-CB 3.24Å; K778-K782 PolarHBondContact O-N 3.09Å
779D82.4Confident71.5Confident89 Ų89114.9 Ų114.948%0.47661%0.606SS.*Hα-helixtrans-74.3-38.9179.6-65.3-30.8000110.8N776 F781 K782 S783N776-D779 WeakPolarHBondContact O-CB 3.19Å; N776-D779 PolarHBondContact O-N 3.03Å; D779-F781 VanDerWaalsContact C-N 3.34Å; D779-F781 PolarHBondContact O-N 3.39Å; D779-K782 PolarHBondContact O-N 2.98Å; D779-S783 WeakPolarHBondContact O-CB 3.44Å; D779-S783 PolarHBondContact O-N 3.12Å; D779-S783 PolarHBondContact O-OG 3.16Å
780I81.3Confident73.9Confident84 Ų84113.3 Ų113.343%0.43159%0.593SS.*Hα-helixtrans-59.9-47.3173.6-59.4174.9000109.8L775 N776 I777 K782 S783 R784L775-I780 HydrophobicContact CB-CD1 4.22Å; L775-I780 HydrophobicContact CB-CG1 4.41Å; N776-I780 PolarHBondContact O-N 3.37Å; I777-I780 PolarHBondContact O-N 3.45Å; I780-K782 PolarHBondContact O-N 2.68Å; I780-S783 PolarHBondContact O-N 3.07Å; I780-R784 WeakPolarHBondContact O-CB 3.18Å; I780-R784 PolarHBondContact O-N 3.4Å
781F86Confident76.2Confident82 Ų82107.5 Ų107.536%0.3658%0.575SS.*Hα-helixtrans-60.6-43.4177.9-176.8-102.7000112.4I777 D779 R784 L785 L792 Y795I777-F781 PolarHBondContact O-N 3.33Å; D779-F781 VanDerWaalsContact C-N 3.34Å; D779-F781 PolarHBondContact O-N 3.39Å; F781-R784 PolarHBondContact O-N 3Å; F781-L785 HydrophobicContact CD1-CD1 3.95Å; F781-L785 HydrophobicContact CE1-CD1 3.37Å; F781-L785 HydrophobicContact CE1-CG 4.17Å; F781-L785 HydrophobicContact CZ-CD1 3.75Å; F781-L785 HydrophobicContact CZ-CG 4.19Å; F781-L785 PolarHBondContact O-N 3.14Å; F781-L792 HydrophobicContact CE1-CD1 4.03Å; F781-Y795 HydrophobicContact CE1-CD1 4.37Å; F781-Y795 HydrophobicContact CE1-CE1 4.24Å; F781-Y795 HydrophobicContact CE2-CE1 4.48Å; F781-Y795 AromaticContact CZ-CD1 3.91Å; F781-Y795 HydrophobicContact CZ-CD1 3.91Å; F781-Y795 HydrophobicContact CZ-CD2 4.47Å; F781-Y795 AromaticContact CZ-CE1 3.51Å; F781-Y795 HydrophobicContact CZ-CE1 3.51Å; F781-Y795 HydrophobicContact CZ-CE2 4.12Å; F781-Y795 HydrophobicContact CZ-CG 4.37Å; F781-Y795 AromaticContact CZ-CZ 3.62Å
782K85.3Confident78.3Confident126 Ų126106.4 Ų106.455%0.54857%0.569SS.*Hα-helixtrans-65.1-42.4177.9-170.9-179.6177.9-173.40112.4K778 D779 I780 R784 L785 Q786K778-K782 WeakPolarHBondContact O-CB 3.24Å; K778-K782 PolarHBondContact O-N 3.09Å; D779-K782 PolarHBondContact O-N 2.98Å; I780-K782 PolarHBondContact O-N 2.68Å; K782-R784 VanDerWaalsContact C-N 3.35Å; K782-L785 PolarHBondContact O-N 3.43Å; K782-Q786 PolarHBondContact O-N 3.07Å
783S84.7Confident80.2Confident72 Ų72108.1 Ų108.150%0.50357%0.565SS.*Hα-helixtrans-64.9-38.2175.3-67.80000111.9D779 I780 Q786 A787D779-S783 WeakPolarHBondContact O-CB 3.44Å; D779-S783 PolarHBondContact O-N 3.12Å; D779-S783 PolarHBondContact O-OG 3.16Å; I780-S783 PolarHBondContact O-N 3.07Å; S783-Q786 PolarHBondContact O-N 3.04Å; S783-A787 WeakPolarHBondContact O-CB 3.38Å; S783-A787 PolarHBondContact O-N 3.33Å
784R90.1Very high82Confident192 Ų192107.1 Ų107.173%0.72556%0.556SS**Hα-helixtrans-63.9-41.2175.8-134.1174.8-169.2153.31.5111.9I780 F781 K782 A787 A788I780-R784 WeakPolarHBondContact O-CB 3.18Å; I780-R784 PolarHBondContact O-N 3.4Å; F781-R784 PolarHBondContact O-N 3Å; K782-R784 VanDerWaalsContact C-N 3.35Å; R784-A787 PolarHBondContact O-N 3.22Å; R784-A788 WeakPolarHBondContact O-CB 3.48Å; R784-A788 PolarHBondContact O-N 3.45Å
785L91.5Very high84.1Confident15 Ų15100.5 Ų100.58%0.07953%0.526CS..Hα-helixtrans-65.2-42.7174.5-76.1177.2000112.3F781 K782 A788 G789 I790 L792 Y795F781-L785 HydrophobicContact CD1-CD1 3.95Å; F781-L785 HydrophobicContact CE1-CD1 3.37Å; F781-L785 HydrophobicContact CE1-CG 4.17Å; F781-L785 HydrophobicContact CZ-CD1 3.75Å; F781-L785 HydrophobicContact CZ-CG 4.19Å; F781-L785 PolarHBondContact O-N 3.14Å; K782-L785 PolarHBondContact O-N 3.43Å; L785-A788 PolarHBondContact O-N 3.38Å; L785-G789 PolarHBondContact O-N 3.49Å; L785-I790 CarbonylContact C-O 3.57Å; L785-I790 HydrophobicContact CD2-CB 4.21Å; L785-I790 HydrophobicContact CD2-CG2 4.21Å; L785-I790 PolarHBondContact O-N 3.4Å; L785-I790 VanDerWaalsContact O-O 3.09Å; L785-L792 HydrophobicContact CD1-CD1 3.44Å; L785-L792 VanDerWaalsContact CD1-CD1 3.44Å; L785-Y795 HydrophobicContact CD1-CG 4.31Å; L785-Y795 HydrophobicContact CD2-CD2 3.82Å; L785-Y795 HydrophobicContact CD2-CG 3.93Å
786Q85.8Confident85.7Confident139 Ų13998.7 Ų98.765%0.6551%0.514SS*.Hα-helixtrans-63.3-40.7174.5-79.6-174.9-22.500112.4K782 S783 A788 G789K782-Q786 PolarHBondContact O-N 3.07Å; S783-Q786 PolarHBondContact O-N 3.04Å; Q786-A788 VanDerWaalsContact C-N 3.29Å; Q786-A788 PolarHBondContact O-N 3.3Å; Q786-G789 PolarHBondContact O-N 3.43Å
787A88.3Confident86.5Confident91 Ų91102 Ų10275%0.75252%0.52SS*.Hα-helixtrans-65.3-33.1176.700000112.5S783 R784 G789S783-A787 WeakPolarHBondContact O-CB 3.38Å; S783-A787 PolarHBondContact O-N 3.33Å; R784-A787 PolarHBondContact O-N 3.22Å; A787-G789 PolarHBondContact O-N 2.96Å
788A88.6Confident86.9Confident64 Ų6498.1 Ų98.153%0.52950%0.503SS..THydrogen-bonded Turntrans-77.7-3.3172.700000113.5R784 L785 Q786 I790R784-A788 WeakPolarHBondContact O-CB 3.48Å; R784-A788 PolarHBondContact O-N 3.45Å; L785-A788 PolarHBondContact O-N 3.38Å; Q786-A788 VanDerWaalsContact C-N 3.29Å; Q786-A788 PolarHBondContact O-N 3.3Å; A788-I790 HydrophobicContact CB-CD1 3.81Å; A788-I790 HydrophobicContact CB-CG1 3.96Å; A788-I790 PolarHBondContact O-N 3.21Å
789G90.1Very high87.2Confident63 Ų6393.7 Ų93.765%0.64949%0.486SS*.THydrogen-bonded Turntrans67.315.9-174.700000113.9L785 Q786 A787L785-G789 PolarHBondContact O-N 3.49Å; Q786-G789 PolarHBondContact O-N 3.43Å; A787-G789 PolarHBondContact O-N 2.96Å
790I89.6Confident87.1Confident69 Ų6998.9 Ų98.935%0.35450%0.498SS..  trans-98.6125-177-57.5169.3000108.6L785 A788 E794L785-I790 CarbonylContact C-O 3.57Å; L785-I790 HydrophobicContact CD2-CB 4.21Å; L785-I790 HydrophobicContact CD2-CG2 4.21Å; L785-I790 PolarHBondContact O-N 3.4Å; L785-I790 VanDerWaalsContact O-O 3.09Å; A788-I790 HydrophobicContact CB-CD1 3.81Å; A788-I790 HydrophobicContact CB-CG1 3.96Å; A788-I790 PolarHBondContact O-N 3.21Å; I790-E794 HydrophobicContact CG2-CB 3.88Å
791T89.8Confident86.9Confident76 Ų76101.9 Ų101.947%0.46650%0.504SS..  trans-73.5148.9172.764.70000110.7K793 E794 Y795T791-K793 PolarHBondContact O-N 3.44Å; T791-E794 WeakPolarHBondContact CB-OE2 3.4Å; T791-E794 PolarHBondContact N-OE2 3.18Å; T791-E794 WeakPolarHBondContact O-CB 3.35Å; T791-E794 PolarHBondContact O-N 3.43Å; T791-E794 VanDerWaalsContact OG1-CG 3.26Å; T791-E794 WeakPolarHBondContact OG1-CG 3.21Å; T791-E794 PolarHBondContact OG1-N 3.19Å; T791-E794 PolarHBondContact OG1-OE2 3.46Å; T791-Y795 PolarHBondContact O-N 3.08Å
792L87Confident86.2Confident93 Ų93103 Ų10349%0.48751%0.511SS..Hα-helixtrans-55.3-31.1177.8-167.166.9000112.4F781 L785 H796F781-L792 HydrophobicContact CE1-CD1 4.03Å; L785-L792 HydrophobicContact CD1-CD1 3.44Å; L785-L792 VanDerWaalsContact CD1-CD1 3.44Å; L792-H796 PolarHBondContact O-CD2 3.33Å; L792-H796 PolarHBondContact O-N 3.32Å; L792-H796 VanDerWaalsContact O-N 3.16Å
793K85.8Confident85.5Confident168 Ų168101.7 Ų101.773%0.7351%0.51SS*.Hα-helixtrans-67.8-41173.7-80.6-176.5177.3176.60112.8T791 R797T791-K793 PolarHBondContact O-N 3.44Å; K793-R797 WeakPolarHBondContact O-CG 3.42Å; K793-R797 PolarHBondContact O-N 3Å
794E88.3Confident84.6Confident92 Ų92100.8 Ų100.843%0.4350%0.504SS..Hα-helixtrans-66.3-44.6176.7-76.5160.715700111.2I790 T791 H796 R797 T798I790-E794 HydrophobicContact CG2-CB 3.88Å; T791-E794 WeakPolarHBondContact CB-OE2 3.4Å; T791-E794 PolarHBondContact N-OE2 3.18Å; T791-E794 WeakPolarHBondContact O-CB 3.35Å; T791-E794 PolarHBondContact O-N 3.43Å; T791-E794 VanDerWaalsContact OG1-CG 3.26Å; T791-E794 WeakPolarHBondContact OG1-CG 3.21Å; T791-E794 PolarHBondContact OG1-N 3.19Å; T791-E794 PolarHBondContact OG1-OE2 3.46Å; E794-H796 VanDerWaalsContact C-N 3.32Å; E794-H796 PolarHBondContact O-N 3.08Å; E794-R797 CarbonylContact O-C 3.39Å; E794-R797 WeakPolarHBondContact O-CA 3.32Å; E794-R797 WeakPolarHBondContact O-CB 3.49Å; E794-R797 PolarHBondContact O-N 3.41Å; E794-T798 PolarHBondContact O-N 3.03Å; E794-T798 PolarHBondContact O-OG1 3.25Å
795Y92.5Very high83.1Confident66 Ų6695.4 Ų95.426%0.25949%0.494SS..Hα-helixtrans-55.9-45.9174.7176.1-97.8000112F781 L785 T791 R797 T798 M799F781-Y795 HydrophobicContact CE1-CD1 4.37Å; F781-Y795 HydrophobicContact CE1-CE1 4.24Å; F781-Y795 HydrophobicContact CE2-CE1 4.48Å; F781-Y795 AromaticContact CZ-CD1 3.91Å; F781-Y795 HydrophobicContact CZ-CD1 3.91Å; F781-Y795 HydrophobicContact CZ-CD2 4.47Å; F781-Y795 AromaticContact CZ-CE1 3.51Å; F781-Y795 HydrophobicContact CZ-CE1 3.51Å; F781-Y795 HydrophobicContact CZ-CE2 4.12Å; F781-Y795 HydrophobicContact CZ-CG 4.37Å; F781-Y795 AromaticContact CZ-CZ 3.62Å; L785-Y795 HydrophobicContact CD1-CG 4.31Å; L785-Y795 HydrophobicContact CD2-CD2 3.82Å; L785-Y795 HydrophobicContact CD2-CG 3.93Å; T791-Y795 PolarHBondContact O-N 3.08Å; Y795-R797 VanDerWaalsContact C-N 3.31Å; Y795-R797 PolarHBondContact O-N 3.2Å; Y795-T798 PolarHBondContact O-N 3.46Å; Y795-T798 PolarHBondContact O-OG1 2.98Å; Y795-M799 HydrophobicContact CD1-CG 4.38Å; Y795-M799 HydrophobicContact CE1-CG 3.89Å; Y795-M799 HydrophobicContact CE2-CG 4.14Å; Y795-M799 HydrophobicContact CE2-SD 4.36Å; Y795-M799 VanDerWaalsContact O-CG 3.29Å; Y795-M799 WeakPolarHBondContact O-CG 3.37Å; Y795-M799 PolarHBondContact O-N 2.92Å; Y795-M799 VanDerWaalsContact O-N 3.07Å
796H91.1Very high81.3Confident99 Ų99101.1 Ų101.146%0.45852%0.519SS..Hα-helixtrans-68.3-28.9176.1-75.3-56.8000113.4L792 E794 R800L792-H796 PolarHBondContact O-CD2 3.33Å; L792-H796 PolarHBondContact O-N 3.32Å; L792-H796 VanDerWaalsContact O-N 3.16Å; E794-H796 VanDerWaalsContact C-N 3.32Å; E794-H796 PolarHBondContact O-N 3.08Å; H796-R800 WeakPolarHBondContact O-CG 3.46Å; H796-R800 PolarHBondContact O-N 3.24Å; H796-R800 VanDerWaalsContact O-N 3.14Å
797R87.2Confident79.9Confident157 Ų15797.9 Ų97.959%0.59251%0.511SS*.Hα-helixtrans-70.6-40.7174.1-80177.9177.8-173.6-1.6111.9K793 E794 Y795 R800 R801K793-R797 WeakPolarHBondContact O-CG 3.42Å; K793-R797 PolarHBondContact O-N 3Å; E794-R797 CarbonylContact O-C 3.39Å; E794-R797 WeakPolarHBondContact O-CA 3.32Å; E794-R797 WeakPolarHBondContact O-CB 3.49Å; E794-R797 PolarHBondContact O-N 3.41Å; Y795-R797 VanDerWaalsContact C-N 3.31Å; Y795-R797 PolarHBondContact O-N 3.2Å; R797-R800 PolarHBondContact O-N 2.91Å; R797-R801 WeakPolarHBondContact O-CG 3.45Å; R797-R801 PolarHBondContact O-N 3.4Å; R797-R801 VanDerWaalsContact O-N 3.12Å
798T82.6Confident78.3Confident63 Ų63100 Ų10039%0.38751%0.505SS..Hα-helixtrans-65.3-46.2176.856.10000110.5E794 Y795 R800 R801 E802E794-T798 PolarHBondContact O-N 3.03Å; E794-T798 PolarHBondContact O-OG1 3.25Å; Y795-T798 PolarHBondContact O-N 3.46Å; Y795-T798 PolarHBondContact O-OG1 2.98Å; T798-R800 VanDerWaalsContact C-N 3.3Å; T798-R800 PolarHBondContact O-N 2.86Å; T798-R801 PolarHBondContact O-N 3.31Å; T798-E802 PolarHBondContact O-N 3.48Å
799M82.7Confident76.6Confident68 Ų68100.7 Ų100.734%0.33551%0.506SS..Hα-helixtrans-58.4-38.3175.9-69.7-64.3-68.600113.1Y795 N803Y795-M799 HydrophobicContact CD1-CG 4.38Å; Y795-M799 HydrophobicContact CE1-CG 3.89Å; Y795-M799 HydrophobicContact CE2-CG 4.14Å; Y795-M799 HydrophobicContact CE2-SD 4.36Å; Y795-M799 VanDerWaalsContact O-CG 3.29Å; Y795-M799 WeakPolarHBondContact O-CG 3.37Å; Y795-M799 PolarHBondContact O-N 2.92Å; Y795-M799 VanDerWaalsContact O-N 3.07Å; M799-N803 WeakPolarHBondContact O-CB 3.43Å; M799-N803 VanDerWaalsContact O-CG 3.24Å; M799-N803 PolarHBondContact O-N 3.42Å; M799-N803 VanDerWaalsContact O-N 3.12Å; M799-N803 PolarHBondContact O-ND2 3.49Å
800R80.1Confident74.7Confident197 Ų197103.2 Ų103.274%0.74351%0.509SS*.Hα-helixtrans-67.2-39.8174.9-77.7-178.9-173.7-169.51.7112.6H796 R797 T798 N803 S804H796-R800 WeakPolarHBondContact O-CG 3.46Å; H796-R800 PolarHBondContact O-N 3.24Å; H796-R800 VanDerWaalsContact O-N 3.14Å; R797-R800 PolarHBondContact O-N 2.91Å; T798-R800 VanDerWaalsContact C-N 3.3Å; T798-R800 PolarHBondContact O-N 2.86Å; R800-N803 PolarHBondContact O-N 2.95Å; R800-S804 PolarHBondContact O-N 2.88Å; R800-S804 PolarHBondContact O-OG 3.23Å
801R77.2Confident72.7Confident148 Ų148107.1 Ų107.156%0.55853%0.53SS*.Hα-helixtrans-67.1-41.6177.5-73.5-174.1-173.2107-6.9111.9R797 T798 N803 S804 C805R797-R801 WeakPolarHBondContact O-CG 3.45Å; R797-R801 PolarHBondContact O-N 3.4Å; R797-R801 VanDerWaalsContact O-N 3.12Å; T798-R801 PolarHBondContact O-N 3.31Å; R801-N803 VanDerWaalsContact C-N 3.3Å; R801-N803 PolarHBondContact O-N 3.2Å; R801-S804 WeakPolarHBondContact CA-OG 3.33Å; R801-S804 PolarHBondContact O-N 3.12Å; R801-S804 PolarHBondContact O-OG 3.29Å; R801-C805 WeakPolarHBondContact O-CB 3.28Å; R801-C805 PolarHBondContact O-N 2.98Å; R801-C805 PolarHBondContact O-SG 3.5Å
802E71.4Confident70.5Confident106 Ų106115 Ų11550%0.49556%0.558SS.*Hα-helixtrans-62.8-40.3175.9-71.8-178.3-167.800111.7T798 C805 K806T798-E802 PolarHBondContact O-N 3.48Å; E802-C805 PolarHBondContact O-N 3.46Å; E802-K806 WeakPolarHBondContact O-CG 3.31Å; E802-K806 PolarHBondContact O-N 2.9Å
803N70.5Confident69.6Low97 Ų97116.1 Ų116.152%0.51956%0.562SS.*Hα-helixtrans-68.1-35.9176.1-71-12.6000112.6M799 R800 R801 S807M799-N803 WeakPolarHBondContact O-CB 3.43Å; M799-N803 VanDerWaalsContact O-CG 3.24Å; M799-N803 PolarHBondContact O-N 3.42Å; M799-N803 VanDerWaalsContact O-N 3.12Å; M799-N803 PolarHBondContact O-ND2 3.49Å; R800-N803 PolarHBondContact O-N 2.95Å; R801-N803 VanDerWaalsContact C-N 3.3Å; R801-N803 PolarHBondContact O-N 3.2Å; N803-S807 PolarHBondContact O-N 2.89Å
804S67.1Low68.8Low54 Ų54113.3 Ų113.338%0.37855%0.553SS.*Hα-helixtrans-71.2-38.8174.663.20000112.5R800 R801 K806 S807 E808R800-S804 PolarHBondContact O-N 2.88Å; R800-S804 PolarHBondContact O-OG 3.23Å; R801-S804 WeakPolarHBondContact CA-OG 3.33Å; R801-S804 PolarHBondContact O-N 3.12Å; R801-S804 PolarHBondContact O-OG 3.29Å; S804-K806 VanDerWaalsContact C-N 3.32Å; S804-K806 PolarHBondContact O-N 3.46Å; S804-S807 WeakPolarHBondContact CA-OG 3.33Å; S804-S807 PolarHBondContact O-N 2.83Å; S804-S807 PolarHBondContact O-OG 2.93Å; S804-E808 PolarHBondContact O-N 2.97Å; S804-E808 VanDerWaalsContact O-N 3.07Å
805C57.4Low67.7Low78 Ų78114.5 Ų114.553%0.52756%0.56SS.*Hα-helixtrans-63.7-38.9175.5-69.20000111.6R801 E802 S807 E808 S809R801-C805 WeakPolarHBondContact O-CB 3.28Å; R801-C805 PolarHBondContact O-N 2.98Å; R801-C805 PolarHBondContact O-SG 3.5Å; E802-C805 PolarHBondContact O-N 3.46Å; C805-S807 VanDerWaalsContact C-N 3.3Å; C805-S807 PolarHBondContact O-N 3.42Å; C805-E808 PolarHBondContact O-N 3.03Å; C805-S809 PolarHBondContact O-N 2.84Å; C805-S809 PolarHBondContact O-OG 3.27Å
806K55Low66.2Low136 Ų136117.4 Ų117.459%0.59158%0.577SS**Hα-helixtrans-63.5-33.2174.5-76.9176-179.5175.70112.8E802 S804 S809 V810E802-K806 WeakPolarHBondContact O-CG 3.31Å; E802-K806 PolarHBondContact O-N 2.9Å; S804-K806 VanDerWaalsContact C-N 3.32Å; S804-K806 PolarHBondContact O-N 3.46Å; K806-S809 PolarHBondContact O-OG 3.04Å; K806-V810 WeakPolarHBondContact O-CG2 3.23Å
807S55Low64.7Low70 Ų70118.5 Ų118.549%0.4959%0.585SS.*Hα-helixtrans-75.8-30174.955.10000113.4N803 S804 C805N803-S807 PolarHBondContact O-N 2.89Å; S804-S807 WeakPolarHBondContact CA-OG 3.33Å; S804-S807 PolarHBondContact O-N 2.83Å; S804-S807 PolarHBondContact O-OG 2.93Å; C805-S807 VanDerWaalsContact C-N 3.3Å; C805-S807 PolarHBondContact O-N 3.42Å
808E54.8Low63.2Low135 Ų135115.9 Ų115.963%0.63158%0.584SS**Hα-helixtrans-77.7-31.1177.6-76.9-177.7176.800112.8S804 C805 V810 N811 K812S804-E808 PolarHBondContact O-N 2.97Å; S804-E808 VanDerWaalsContact O-N 3.07Å; C805-E808 PolarHBondContact O-N 3.03Å; E808-V810 PolarHBondContact O-N 2.9Å; E808-N811 PolarHBondContact O-N 3.06Å; E808-K812 PolarHBondContact O-N 3.34Å
809S53.3Low61.8Low79 Ų79119.7 Ų119.755%0.55260%0.598SS**THydrogen-bonded Turntrans-74.4-9175.9630000114.4C805 K806C805-S809 PolarHBondContact O-N 2.84Å; C805-S809 PolarHBondContact O-OG 3.27Å; K806-S809 PolarHBondContact O-OG 3.04Å
810V49.6Very low60.2Low116 Ų116123.7 Ų123.770%0.70362%0.619SS**THydrogen-bonded Turntrans-92.2-16.5173.9177.20000111.3K806 E808K806-V810 WeakPolarHBondContact O-CG2 3.23Å; E808-V810 PolarHBondContact O-N 2.9Å
811N49.4Very low58.5Low151 Ų151117.6 Ų117.681%0.80761%0.608SS**  trans-1053.3179-77-22.4000114E808E808-N811 PolarHBondContact O-N 3.06Å
812K41.9Very low56.8Low241 Ų241114.8 Ų114.8100%1.04861%0.613SS**  trans-110.90165.9-86.7-179176.8173.90108.5E808E808-K812 PolarHBondContact O-N 3.34Å

Retrieved 812 of 812 residues in 1605.4 ms (Link to these results)

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