A0A087WR75_MOUSE Loading...

Activating transcription factor 7 interacting protein

AlphaFold DB , UniProt , Accession A0A087WR75, Species MOUSE (Mus musculus, Mouse), Gene Atf7ip, Length 969 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.6Very low40Very low237 Ų237172.6 Ų172.6100%1.16781%0.807SS**  0109.20-61169.7-176.300105.6
2H39.7Very low40.3Very low181 Ų181167 Ų16784%0.83879%0.793SS**  61.179.962.8-85.6112.6000114
3Q37.6Very low40.7Very low189 Ų189162.3 Ų162.388%0.88377%0.77SS**  trans-157.3102.5133.2-101.1175.223.600105.2
4D42.3Very low41Very low94 Ų94159 Ų15950%0.50375%0.754SS.*  cis65.651.748.2-165.524.2000113.1R6D4-R6 VanDerWaalsContact CG-NH1 3.29Å; D4-R6 PolarHBondContact O-N 3.37Å; D4-R6 WeakPolarHBondContact OD1-CG 3.48Å; D4-R6 IonicContact OD1-CZ 3.83Å; D4-R6 IonicContact OD1-NH1 3.21Å; D4-R6 PolarHBondContact OD1-NH1 3.18Å; D4-R6 IonicContact OD2-CZ 3.31Å; D4-R6 VanDerWaalsContact OD2-CZ 3.31Å; D4-R6 IonicContact OD2-NH1 2.64Å; D4-R6 PolarHBondContact OD2-NH1 3.42Å; D4-R6 IonicContact OD2-NH2 3.42Å; D4-R6 PolarHBondContact OD2-NH2 2.64Å
5Q38.2Very low41.5Very low186 Ų186153.1 Ų153.187%0.86973%0.734SS**  trans-90.880.4167.9-170.3153.394.700110.2F7Q5-F7 PolarHBondContact O-N 3.21Å
6R38.6Very low42.1Very low184 Ų184151.7 Ų151.769%0.69473%0.726SS**  trans-55.8115174.2-74.4-179.4-84.5-83.6-7.1111.6D4 R8D4-R6 VanDerWaalsContact CG-NH1 3.29Å; D4-R6 PolarHBondContact O-N 3.37Å; D4-R6 WeakPolarHBondContact OD1-CG 3.48Å; D4-R6 IonicContact OD1-CZ 3.83Å; D4-R6 IonicContact OD1-NH1 3.21Å; D4-R6 PolarHBondContact OD1-NH1 3.18Å; D4-R6 IonicContact OD2-CZ 3.31Å; D4-R6 VanDerWaalsContact OD2-CZ 3.31Å; D4-R6 IonicContact OD2-NH1 2.64Å; D4-R6 PolarHBondContact OD2-NH1 3.42Å; D4-R6 IonicContact OD2-NH2 3.42Å; D4-R6 PolarHBondContact OD2-NH2 2.64Å; R6-R8 PolarHBondContact O-N 3.3Å
7F37.5Very low42.9Very low201 Ų201150 Ų15088%0.88272%0.715SS**  trans-61.7114.7155.6-93.7-97000108.6Q5 M9Q5-F7 PolarHBondContact O-N 3.21Å; F7-M9 PolarHBondContact O-N 3.17Å
8R38.7Very low43.5Very low231 Ų231148.1 Ų148.187%0.87270%0.703SS**  trans-69110.6169.7-86.4-78-169.21662108.1R6 D10R6-R8 PolarHBondContact O-N 3.3Å; R8-D10 PolarHBondContact O-N 3.12Å; R8-D10 VanDerWaalsContact O-N 3.12Å
9M38Very low44.3Very low166 Ų166144.6 Ų144.682%0.81869%0.692SS**  trans-80.888.9179.1-177159.856.500110.9F7 S11F7-M9 PolarHBondContact O-N 3.17Å; M9-S11 PolarHBondContact O-N 3.21Å
10D47.1Very low44.9Very low157 Ų157144.8 Ų144.884%0.8469%0.69SS**THydrogen-bonded Turntrans-67.890.4169.5-82-41.3000110.3R8R8-D10 PolarHBondContact O-N 3.12Å; R8-D10 VanDerWaalsContact O-N 3.12Å
11S46.5Very low45.6Very low73 Ų73145 Ų14551%0.5169%0.688SS.*THydrogen-bonded Turntrans-140.7-36.1-175-178.60000114.1M9 P15M9-S11 PolarHBondContact O-N 3.21Å; S11-P15 VanDerWaalsContact O-CD 3.3Å; S11-P15 WeakPolarHBondContact O-CD 2.96Å
12V44.1Very low46.8Very low105 Ų105136 Ų13664%0.63665%0.651SS**SBendtrans-86.5-25.4-172.4-166.50000113.5
13E45.1Very low48Very low106 Ų106130.4 Ų130.450%0.49562%0.623SS.*Hα-helixtrans-77.6-34.8-172.2-172.574.5178.200113K17E13-K17 VanDerWaalsContact CD-NZ 3.35Å; E13-K17 HydrophobicContact CG-CD 3.99Å; E13-K17 WeakPolarHBondContact O-CG 3.42Å; E13-K17 PolarHBondContact O-N 3.49Å; E13-K17 VanDerWaalsContact O-N 3.11Å; E13-K17 WeakPolarHBondContact OE1-CE 2.93Å; E13-K17 IonicContact OE1-NZ 2.63Å; E13-K17 PolarHBondContact OE1-NZ 2.82Å
14E44.8Very low49.5Very low116 Ų116129.2 Ų129.254%0.54262%0.615SS.*Hα-helixtrans-71.3-42.5-172.9-145.2-146.417400113.9Q16 K17 K18E14-Q16 VanDerWaalsContact C-N 3.34Å; E14-Q16 PolarHBondContact O-N 2.93Å; E14-K17 PolarHBondContact O-N 2.81Å; E14-K18 WeakPolarHBondContact O-CG 3.49Å; E14-K18 PolarHBondContact O-N 2.63Å; E14-K18 WeakPolarHBondContact OE1-CE 3.14Å; E14-K18 IonicContact OE1-NZ 3.61Å; E14-K18 PolarHBondContact OE1-NZ 2.96Å; E14-K18 IonicContact OE2-NZ 3.68Å; E14-K18 PolarHBondContact OE2-NZ 3.37Å
15P48.2Very low51.2Low70 Ų70130.1 Ų130.146%0.45562%0.624SS.*Hα-helixtrans-59.5-43.4174.3-24.434.8000112.2S11 K18 V19S11-P15 VanDerWaalsContact O-CD 3.3Å; S11-P15 WeakPolarHBondContact O-CD 2.96Å; P15-K18 PolarHBondContact O-N 3.15Å; P15-V19 WeakPolarHBondContact O-CG2 3.26Å; P15-V19 PolarHBondContact O-N 2.75Å
16Q51.1Low53.2Low131 Ų131124.3 Ų124.361%0.61260%0.598SS**Hα-helixtrans-66.2-41179.9-61.7-165.517.600111.7E14 K18 V19 F20E14-Q16 VanDerWaalsContact C-N 3.34Å; E14-Q16 PolarHBondContact O-N 2.93Å; Q16-K18 VanDerWaalsContact C-N 3.35Å; Q16-K18 PolarHBondContact O-N 2.97Å; Q16-V19 PolarHBondContact O-N 3.16Å; Q16-F20 VanDerWaalsContact O-CB 3.31Å; Q16-F20 WeakPolarHBondContact O-CB 3.46Å; Q16-F20 PolarHBondContact O-N 2.95Å
17K55.5Low55.5Low123 Ų123124 Ų12454%0.53560%0.596SS.*Hα-helixtrans-64.1-36.1173.8-76.8175.5179.9158.80112.8E13 E14 K21E13-K17 VanDerWaalsContact CD-NZ 3.35Å; E13-K17 HydrophobicContact CG-CD 3.99Å; E13-K17 WeakPolarHBondContact O-CG 3.42Å; E13-K17 PolarHBondContact O-N 3.49Å; E13-K17 VanDerWaalsContact O-N 3.11Å; E13-K17 WeakPolarHBondContact OE1-CE 2.93Å; E13-K17 IonicContact OE1-NZ 2.63Å; E13-K17 PolarHBondContact OE1-NZ 2.82Å; E14-K17 PolarHBondContact O-N 2.81Å; K17-K21 VanDerWaalsContact O-CB 3.25Å; K17-K21 WeakPolarHBondContact O-CB 3.32Å; K17-K21 PolarHBondContact O-N 3.3Å
18K55.1Low57.5Low115 Ų115118.4 Ų118.450%0.559%0.587SS.*Hα-helixtrans-65.4-47.9173.4-74.1167.5177.2168.70111.3E14 P15 Q16 K21 A22E14-K18 WeakPolarHBondContact O-CG 3.49Å; E14-K18 PolarHBondContact O-N 2.63Å; E14-K18 WeakPolarHBondContact OE1-CE 3.14Å; E14-K18 IonicContact OE1-NZ 3.61Å; E14-K18 PolarHBondContact OE1-NZ 2.96Å; E14-K18 IonicContact OE2-NZ 3.68Å; E14-K18 PolarHBondContact OE2-NZ 3.37Å; P15-K18 PolarHBondContact O-N 3.15Å; Q16-K18 VanDerWaalsContact C-N 3.35Å; Q16-K18 PolarHBondContact O-N 2.97Å; K18-K21 PolarHBondContact O-N 2.86Å; K18-A22 WeakPolarHBondContact O-CB 3Å; K18-A22 PolarHBondContact O-N 3.45Å
19V57.2Low59.7Low83 Ų83110.5 Ų110.550%0.50357%0.567SS.*Hα-helixtrans-63.9-42.2176.7172.50000112.2P15 Q16 A22 R23P15-V19 WeakPolarHBondContact O-CG2 3.26Å; P15-V19 PolarHBondContact O-N 2.75Å; Q16-V19 PolarHBondContact O-N 3.16Å; V19-A22 PolarHBondContact O-N 2.97Å; V19-R23 HydrophobicContact CG1-CG 4.44Å; V19-R23 WeakPolarHBondContact O-CB 3.31Å; V19-R23 WeakPolarHBondContact O-CG 3.4Å; V19-R23 PolarHBondContact O-N 2.64Å
20F56.9Low62.2Low148 Ų148104.2 Ų104.265%0.64954%0.537SS*.Hα-helixtrans-67.1-39.2178-167.7-90.8000111.8Q16 R23 K24Q16-F20 VanDerWaalsContact O-CB 3.31Å; Q16-F20 WeakPolarHBondContact O-CB 3.46Å; Q16-F20 PolarHBondContact O-N 2.95Å; F20-R23 PolarHBondContact O-N 2.74Å; F20-K24 VanDerWaalsContact O-CB 3.32Å; F20-K24 WeakPolarHBondContact O-CB 3.46Å; F20-K24 PolarHBondContact O-N 3.01Å
21K60.8Low64.2Low149 Ų149102.3 Ų102.365%0.64852%0.518SS*.Hα-helixtrans-65.3-41.5174.8-167.8163.363.41770111.3K17 K18 K24 T25K17-K21 VanDerWaalsContact O-CB 3.25Å; K17-K21 WeakPolarHBondContact O-CB 3.32Å; K17-K21 PolarHBondContact O-N 3.3Å; K18-K21 PolarHBondContact O-N 2.86Å; K21-K24 PolarHBondContact O-N 3.33Å; K21-T25 PolarHBondContact O-N 2.79Å; K21-T25 VanDerWaalsContact O-N 3.08Å; K21-T25 PolarHBondContact O-OG1 3.19Å
22A60.2Low65.9Low47 Ų47105.8 Ų105.839%0.38853%0.526SS..Hα-helixtrans-61.4-51.2172.900000112.3K18 V19 K24 T25 M26K18-A22 WeakPolarHBondContact O-CB 3Å; K18-A22 PolarHBondContact O-N 3.45Å; V19-A22 PolarHBondContact O-N 2.97Å; A22-K24 PolarHBondContact O-N 3.11Å; A22-T25 PolarHBondContact O-N 2.98Å; A22-T25 PolarHBondContact O-OG1 3.26Å; A22-T25 VanDerWaalsContact O-OG1 3.11Å; A22-M26 WeakPolarHBondContact O-CG 3.45Å; A22-M26 PolarHBondContact O-N 3.44Å
23R65.1Low67.9Low65 Ų65106.4 Ų106.425%0.24552%0.522CS..Hα-helixtrans-60.8-13.6174.9-75.8178.2170.8-111.9-0.5114.1V19 F20 D35 H38V19-R23 HydrophobicContact CG1-CG 4.44Å; V19-R23 WeakPolarHBondContact O-CB 3.31Å; V19-R23 WeakPolarHBondContact O-CG 3.4Å; V19-R23 PolarHBondContact O-N 2.64Å; F20-R23 PolarHBondContact O-N 2.74Å; R23-D35 IonicContact CZ-OD1 2.64Å; R23-D35 IonicContact NH1-OD1 2.63Å; R23-D35 PolarHBondContact NH1-OD1 3.25Å; R23-D35 IonicContact NH1-OD2 3.21Å; R23-D35 IonicContact NH2-OD1 2.82Å; R23-D35 PolarHBondContact NH2-OD1 3Å; R23-H38 PolarHBondContact NH2-CD2 2.98Å; R23-H38 PolarHBondContact NH2-NE2 3.36Å
24K69.2Low69.8Low163 Ų163104.5 Ų104.571%0.70952%0.515SS*.Hα-helixtrans-96.6-20.5174.3-172.4171.4-179.6177.20113.5F20 K21 A22F20-K24 VanDerWaalsContact O-CB 3.32Å; F20-K24 WeakPolarHBondContact O-CB 3.46Å; F20-K24 PolarHBondContact O-N 3.01Å; K21-K24 PolarHBondContact O-N 3.33Å; A22-K24 PolarHBondContact O-N 3.11Å
25T77.2Confident71.6Confident114 Ų114101.7 Ų101.770%0.69950%0.504SS*.Hα-helixtrans-98.2-15.8174.352.70000113.9K21 A22K21-T25 PolarHBondContact O-N 2.79Å; K21-T25 VanDerWaalsContact O-N 3.08Å; K21-T25 PolarHBondContact O-OG1 3.19Å; A22-T25 PolarHBondContact O-N 2.98Å; A22-T25 PolarHBondContact O-OG1 3.26Å; A22-T25 VanDerWaalsContact O-OG1 3.11Å
26M80Confident73.3Confident64 Ų64100.6 Ų100.632%0.31550%0.501SS..SBendtrans-65.2151.1169.8-74176.869.500111.8A22 D30 L34A22-M26 WeakPolarHBondContact O-CG 3.45Å; A22-M26 PolarHBondContact O-N 3.44Å; M26-D30 HydrophobicContact CB-CB 4.41Å; M26-D30 HydrophobicContact CE-CB 3.49Å; M26-D30 VanDerWaalsContact CE-CB 3.49Å; M26-D30 WeakPolarHBondContact CE-O 3.38Å; M26-L34 HydrophobicContact CE-CD1 3.52Å; M26-L34 HydrophobicContact CE-CG 4Å; M26-L34 HydrophobicContact SD-CD1 3.77Å
27R87.2Confident74.9Confident176 Ų17699 Ų9966%0.66450%0.499SS*.  trans-71.3156.7173.2-53.9171.6-65.6179.45.4109.5S29 D30 R31R27-S29 VanDerWaalsContact C-N 3.28Å; R27-S29 PolarHBondContact O-N 2.91Å; R27-D30 VanDerWaalsContact CB-OD2 3.22Å; R27-D30 WeakPolarHBondContact CB-OD2 3.12Å; R27-D30 WeakPolarHBondContact CG-OD2 3.3Å; R27-D30 IonicContact CZ-OD1 3.58Å; R27-D30 IonicContact CZ-OD2 2.83Å; R27-D30 PolarHBondContact N-OD2 3.49Å; R27-D30 VanDerWaalsContact N-OD2 3.13Å; R27-D30 IonicContact NE-OD1 2.66Å; R27-D30 PolarHBondContact NE-OD1 3.42Å; R27-D30 IonicContact NE-OD2 3.35Å; R27-D30 PolarHBondContact NE-OD2 2.81Å; R27-D30 IonicContact NH2-OD1 2.65Å; R27-D30 PolarHBondContact NH2-OD1 3.46Å; R27-D30 IonicContact NH2-OD2 2.73Å; R27-D30 PolarHBondContact O-N 3.33Å; R27-R31 PolarHBondContact O-N 3.44Å
28A79.4Confident76.2Confident84 Ų8497.9 Ų97.969%0.69450%0.496SS*.Hα-helixtrans-56.4-41.9-178.600000112.5R31 Q32A28-R31 PolarHBondContact O-N 3.2Å; A28-Q32 WeakPolarHBondContact O-CB 3.25Å; A28-Q32 PolarHBondContact O-N 2.89Å
29S85.8Confident77.5Confident65 Ų6599.8 Ų99.846%0.45550%0.5SS..Hα-helixtrans-61.1-51.6174.7-176.80000112.3R27 R31 Q32 Q33R27-S29 VanDerWaalsContact C-N 3.28Å; R27-S29 PolarHBondContact O-N 2.91Å; S29-R31 PolarHBondContact O-N 3.17Å; S29-Q32 PolarHBondContact O-N 3.48Å; S29-Q33 WeakPolarHBondContact O-CG 3.47Å; S29-Q33 PolarHBondContact O-N 3.38Å
30D89.4Confident78.7Confident35 Ų35100.4 Ų100.419%0.18750%0.504CS..Hα-helixtrans-57.2-36.5178.4-41.4-32.4000111.7M26 R27 L34M26-D30 HydrophobicContact CB-CB 4.41Å; M26-D30 HydrophobicContact CE-CB 3.49Å; M26-D30 VanDerWaalsContact CE-CB 3.49Å; M26-D30 WeakPolarHBondContact CE-O 3.38Å; R27-D30 VanDerWaalsContact CB-OD2 3.22Å; R27-D30 WeakPolarHBondContact CB-OD2 3.12Å; R27-D30 WeakPolarHBondContact CG-OD2 3.3Å; R27-D30 IonicContact CZ-OD1 3.58Å; R27-D30 IonicContact CZ-OD2 2.83Å; R27-D30 PolarHBondContact N-OD2 3.49Å; R27-D30 VanDerWaalsContact N-OD2 3.13Å; R27-D30 IonicContact NE-OD1 2.66Å; R27-D30 PolarHBondContact NE-OD1 3.42Å; R27-D30 IonicContact NE-OD2 3.35Å; R27-D30 PolarHBondContact NE-OD2 2.81Å; R27-D30 IonicContact NH2-OD1 2.65Å; R27-D30 PolarHBondContact NH2-OD1 3.46Å; R27-D30 IonicContact NH2-OD2 2.73Å; R27-D30 PolarHBondContact O-N 3.33Å; D30-L34 PolarHBondContact O-N 2.85Å; D30-L34 VanDerWaalsContact O-N 3.08Å
31R89.3Confident79.7Confident117 Ų11799.6 Ų99.644%0.44250%0.5SS..Hα-helixtrans-71.7-42.8175.4177.5174.4171.4174.7-7.4112.3R27 A28 S29 Q33 L34 D35R27-R31 PolarHBondContact O-N 3.44Å; A28-R31 PolarHBondContact O-N 3.2Å; S29-R31 PolarHBondContact O-N 3.17Å; R31-Q33 VanDerWaalsContact C-N 3.29Å; R31-Q33 PolarHBondContact O-N 2.86Å; R31-L34 PolarHBondContact O-N 3.31Å; R31-D35 IonicContact NE-OD2 2.75Å; R31-D35 PolarHBondContact O-N 2.97Å
32Q82.6Confident80.4Confident145 Ų14594 Ų9468%0.67848%0.484SS*.Hα-helixtrans-64-36.3176.4-174.3175.2-2.500111.3A28 S29 D35 A36A28-Q32 WeakPolarHBondContact O-CB 3.25Å; A28-Q32 PolarHBondContact O-N 2.89Å; S29-Q32 PolarHBondContact O-N 3.48Å; Q32-D35 PolarHBondContact O-N 2.86Å; Q32-A36 WeakPolarHBondContact O-CB 3.41Å; Q32-A36 PolarHBondContact O-N 2.95Å
33Q85.9Confident80.9Confident119 Ų11996.3 Ų96.356%0.55649%0.487SS*.Hα-helixtrans-63.8-45.8170.8-71.7176.9-7.100111.8S29 R31 A36 V37S29-Q33 WeakPolarHBondContact O-CG 3.47Å; S29-Q33 PolarHBondContact O-N 3.38Å; R31-Q33 VanDerWaalsContact C-N 3.29Å; R31-Q33 PolarHBondContact O-N 2.86Å; Q33-A36 PolarHBondContact O-N 2.63Å; Q33-V37 WeakPolarHBondContact O-CG2 3.22Å; Q33-V37 PolarHBondContact O-N 2.82Å
34L84.9Confident81.1Confident66 Ų6698.5 Ų98.535%0.34650%0.503SS..Hα-helixtrans-59.9-48.7173.1-86.5-174000112.2M26 D30 R31 A36 V37 H38M26-L34 HydrophobicContact CE-CD1 3.52Å; M26-L34 HydrophobicContact CE-CG 4Å; M26-L34 HydrophobicContact SD-CD1 3.77Å; D30-L34 PolarHBondContact O-N 2.85Å; D30-L34 VanDerWaalsContact O-N 3.08Å; R31-L34 PolarHBondContact O-N 3.31Å; L34-A36 VanDerWaalsContact C-N 3.28Å; L34-A36 PolarHBondContact O-N 3Å; L34-V37 PolarHBondContact O-N 3.17Å; L34-H38 WeakPolarHBondContact O-CB 3.32Å; L34-H38 PolarHBondContact O-CD2 3.48Å; L34-H38 PolarHBondContact O-N 3.31Å
35D82.1Confident80.9Confident57 Ų5795.8 Ų95.831%0.30550%0.496SS..Hα-helixtrans-68.8-27.9-177.7-70.9-29.6000111.3R23 R31 Q32 R39R23-D35 IonicContact CZ-OD1 2.64Å; R23-D35 IonicContact NH1-OD1 2.63Å; R23-D35 PolarHBondContact NH1-OD1 3.25Å; R23-D35 IonicContact NH1-OD2 3.21Å; R23-D35 IonicContact NH2-OD1 2.82Å; R23-D35 PolarHBondContact NH2-OD1 3Å; R31-D35 IonicContact NE-OD2 2.75Å; R31-D35 PolarHBondContact O-N 2.97Å; Q32-D35 PolarHBondContact O-N 2.86Å; D35-R39 WeakPolarHBondContact O-CB 3.39Å; D35-R39 PolarHBondContact O-N 3.38Å
36A84.8Confident80.1Confident47 Ų4799.4 Ų99.439%0.38850%0.496SS..Hα-helixtrans-69.3-45.4168.100000112.9Q32 Q33 L34 H38 R39 V40Q32-A36 WeakPolarHBondContact O-CB 3.41Å; Q32-A36 PolarHBondContact O-N 2.95Å; Q33-A36 PolarHBondContact O-N 2.63Å; L34-A36 VanDerWaalsContact C-N 3.28Å; L34-A36 PolarHBondContact O-N 3Å; A36-H38 VanDerWaalsContact C-N 3.31Å; A36-H38 PolarHBondContact O-N 3.39Å; A36-R39 WeakPolarHBondContact O-CB 3.41Å; A36-R39 PolarHBondContact O-N 3.21Å; A36-R39 VanDerWaalsContact O-N 3.17Å; A36-V40 WeakPolarHBondContact O-CG2 3.46Å; A36-V40 PolarHBondContact O-N 3.24Å
37V85.4Confident79.1Confident96 Ų9698.8 Ų98.858%0.58250%0.501SS*.Hα-helixtrans-63-38.7174.4168.70000111.1Q33 L34 K41Q33-V37 WeakPolarHBondContact O-CG2 3.22Å; Q33-V37 PolarHBondContact O-N 2.82Å; L34-V37 PolarHBondContact O-N 3.17Å; V37-K41 VanDerWaalsContact O-CB 3.26Å; V37-K41 WeakPolarHBondContact O-CB 3.23Å; V37-K41 PolarHBondContact O-N 3.08Å
38H81.1Confident77.3Confident100 Ų10095.3 Ų95.346%0.46350%0.496SS..Hα-helixtrans-65.5-37.7172.8-82.8-70.8000112.4R23 L34 A36 G42R23-H38 PolarHBondContact NH2-CD2 2.98Å; R23-H38 PolarHBondContact NH2-NE2 3.36Å; L34-H38 WeakPolarHBondContact O-CB 3.32Å; L34-H38 PolarHBondContact O-CD2 3.48Å; L34-H38 PolarHBondContact O-N 3.31Å; A36-H38 VanDerWaalsContact C-N 3.31Å; A36-H38 PolarHBondContact O-N 3.39Å; H38-G42 PolarHBondContact O-N 3.04Å
39R84.1Confident75.8Confident156 Ų15693.8 Ų93.859%0.58949%0.489SS*.Hα-helixtrans-62.2-53.9171-92.8-166.159.1-137.5-15.8112.1D35 A36 K41 G42 E43D35-R39 WeakPolarHBondContact O-CB 3.39Å; D35-R39 PolarHBondContact O-N 3.38Å; A36-R39 WeakPolarHBondContact O-CB 3.41Å; A36-R39 PolarHBondContact O-N 3.21Å; A36-R39 VanDerWaalsContact O-N 3.17Å; R39-K41 VanDerWaalsContact C-N 3.3Å; R39-K41 PolarHBondContact O-N 2.82Å; R39-G42 CarbonylContact O-C 3.52Å; R39-G42 WeakPolarHBondContact O-CA 3.34Å; R39-G42 PolarHBondContact O-N 2.87Å; R39-E43 IonicContact CZ-OE1 2.72Å; R39-E43 IonicContact NE-OE1 3.19Å; R39-E43 PolarHBondContact NE-OE1 3.33Å; R39-E43 IonicContact NH2-OE1 3.23Å; R39-E43 PolarHBondContact NH2-OE1 3.16Å; R39-E43 IonicContact NH2-OE2 3.61Å; R39-E43 PolarHBondContact NH2-OE2 3.46Å; R39-E43 WeakPolarHBondContact O-CB 3.48Å; R39-E43 WeakPolarHBondContact O-CG 3.32Å; R39-E43 PolarHBondContact O-N 3.36Å
40V81.8Confident74.4Confident95 Ų9598 Ų9858%0.57650%0.499SS*.Hα-helixtrans-58.6-42.1179.2172.80000111A36 E43 L44A36-V40 WeakPolarHBondContact O-CG2 3.46Å; A36-V40 PolarHBondContact O-N 3.24Å; V40-E43 PolarHBondContact O-N 3.38Å; V40-L44 WeakPolarHBondContact O-CB 3.31Å; V40-L44 PolarHBondContact O-N 2.93Å
41K78.7Confident72.2Confident132 Ų132103.9 Ų103.957%0.57453%0.53SS*.Hα-helixtrans-63.4-40.3173.3-178.2173.2179.31740112.6V37 R39 L45V37-K41 VanDerWaalsContact O-CB 3.26Å; V37-K41 WeakPolarHBondContact O-CB 3.23Å; V37-K41 PolarHBondContact O-N 3.08Å; R39-K41 VanDerWaalsContact C-N 3.3Å; R39-K41 PolarHBondContact O-N 2.82Å; K41-L45 HydrophobicContact CG-CD1 4.14Å; K41-L45 WeakPolarHBondContact O-CB 3.25Å; K41-L45 VanDerWaalsContact O-CG 3.27Å; K41-L45 WeakPolarHBondContact O-CG 3.38Å; K41-L45 PolarHBondContact O-N 2.94Å
42G74.3Confident70.2Confident30 Ų30105.9 Ų105.931%0.30955%0.548SS..Hα-helixtrans-67-37.7175.700000112.8H38 R39 R46H38-G42 PolarHBondContact O-N 3.04Å; R39-G42 CarbonylContact O-C 3.52Å; R39-G42 WeakPolarHBondContact O-CA 3.34Å; R39-G42 PolarHBondContact O-N 2.87Å; G42-R46 VanDerWaalsContact O-CB 3.28Å; G42-R46 WeakPolarHBondContact O-CB 3.45Å; G42-R46 WeakPolarHBondContact O-CG 3.42Å; G42-R46 PolarHBondContact O-N 3.4Å
43E71.4Confident68.2Low96 Ų96105.5 Ų105.545%0.44955%0.551SS.*Hα-helixtrans-71.5-38.5177.7-74.9158.8-150.900111.3R39 V40 R46 A47R39-E43 IonicContact CZ-OE1 2.72Å; R39-E43 IonicContact NE-OE1 3.19Å; R39-E43 PolarHBondContact NE-OE1 3.33Å; R39-E43 IonicContact NH2-OE1 3.23Å; R39-E43 PolarHBondContact NH2-OE1 3.16Å; R39-E43 IonicContact NH2-OE2 3.61Å; R39-E43 PolarHBondContact NH2-OE2 3.46Å; R39-E43 WeakPolarHBondContact O-CB 3.48Å; R39-E43 WeakPolarHBondContact O-CG 3.32Å; R39-E43 PolarHBondContact O-N 3.36Å; V40-E43 PolarHBondContact O-N 3.38Å; E43-R46 CarbonylContact O-C 3.44Å; E43-R46 PolarHBondContact O-N 2.87Å; E43-A47 PolarHBondContact O-N 3.45Å
44L68.4Low66Low111 Ų111103.5 Ų103.558%0.58156%0.563SS**Hα-helixtrans-62.7-48.3170.8-176.563.1000111.9V40 R46 A47 D48V40-L44 WeakPolarHBondContact O-CB 3.31Å; V40-L44 PolarHBondContact O-N 2.93Å; L44-R46 PolarHBondContact O-N 3.35Å; L44-A47 WeakPolarHBondContact O-CA 3.49Å; L44-A47 WeakPolarHBondContact O-CB 3.42Å; L44-A47 PolarHBondContact O-N 2.85Å; L44-D48 PolarHBondContact O-N 3.46Å
45L65.8Low63.9Low107 Ų107106 Ų10656%0.5659%0.586SS**Hα-helixtrans-64.1-29.1174.6-70.2168000112.6K41 A47 G49K41-L45 HydrophobicContact CG-CD1 4.14Å; K41-L45 WeakPolarHBondContact O-CB 3.25Å; K41-L45 VanDerWaalsContact O-CG 3.27Å; K41-L45 WeakPolarHBondContact O-CG 3.38Å; K41-L45 PolarHBondContact O-N 2.94Å; L45-A47 VanDerWaalsContact C-N 3.31Å; L45-G49 PolarHBondContact O-N 3.11Å; L45-G49 VanDerWaalsContact O-N 3.13Å
46R60.9Low61.8Low189 Ų189112.2 Ų112.271%0.71361%0.613SS**Hα-helixtrans-77.8-9.7170.8-76-73.4-168.5-166.91.7113.7G42 E43 L44 K50G42-R46 VanDerWaalsContact O-CB 3.28Å; G42-R46 WeakPolarHBondContact O-CB 3.45Å; G42-R46 WeakPolarHBondContact O-CG 3.42Å; G42-R46 PolarHBondContact O-N 3.4Å; E43-R46 CarbonylContact O-C 3.44Å; E43-R46 PolarHBondContact O-N 2.87Å; L44-R46 PolarHBondContact O-N 3.35Å; R46-K50 WeakPolarHBondContact O-CD 3.45Å; R46-K50 WeakPolarHBondContact O-CE 3.14Å; R46-K50 WeakPolarHBondContact O-CG 3.38Å
47A58.3Low59.9Low51 Ų51116.8 Ų116.842%0.42163%0.626SS.*Hα-helixtrans-91.6-50.1171.600000110.6E43 L44 L45 G49 K50E43-A47 PolarHBondContact O-N 3.45Å; L44-A47 WeakPolarHBondContact O-CA 3.49Å; L44-A47 WeakPolarHBondContact O-CB 3.42Å; L44-A47 PolarHBondContact O-N 2.85Å; L45-A47 VanDerWaalsContact C-N 3.31Å; A47-G49 VanDerWaalsContact C-N 3.28Å; A47-G49 PolarHBondContact O-N 2.99Å; A47-K50 WeakPolarHBondContact O-CB 3.33Å; A47-K50 PolarHBondContact O-N 3.04Å
48D48.2Very low57.6Low103 Ų103119.1 Ų119.155%0.55164%0.635SS**Hα-helixtrans-54.1-45.9172.9-83.3-30.1000111.3L44 K50 L51L44-D48 PolarHBondContact O-N 3.46Å; D48-K50 PolarHBondContact O-N 2.7Å; D48-L51 PolarHBondContact O-N 3.46Å; D48-L51 VanDerWaalsContact O-N 3.16Å
49G49.3Very low55.5Low53 Ų53118.3 Ų118.355%0.54665%0.654SS.*Hα-helixtrans-65.54.317700000116L45 A47L45-G49 PolarHBondContact O-N 3.11Å; L45-G49 VanDerWaalsContact O-N 3.13Å; A47-G49 VanDerWaalsContact C-N 3.28Å; A47-G49 PolarHBondContact O-N 2.99Å
50K55.4Low53.2Low152 Ų152117.9 Ų117.966%0.66166%0.663SS**Hα-helixtrans-110.9-12.5174.5-69.6172.4-175.5169.20113.9R46 A47 D48R46-K50 WeakPolarHBondContact O-CD 3.45Å; R46-K50 WeakPolarHBondContact O-CE 3.14Å; R46-K50 WeakPolarHBondContact O-CG 3.38Å; A47-K50 WeakPolarHBondContact O-CB 3.33Å; A47-K50 PolarHBondContact O-N 3.04Å; D48-K50 PolarHBondContact O-N 2.7Å
51L44.4Very low50.9Low160 Ų160120.9 Ų120.984%0.83868%0.675SS**Hα-helixtrans-86.9-10.8174.3-62.6-179.1000112.8D48D48-L51 PolarHBondContact O-N 3.46Å; D48-L51 VanDerWaalsContact O-N 3.16Å
52L46.4Very low49.1Very low159 Ų159121.3 Ų121.383%0.83268%0.684SS**SBendtrans-114.361.8173.8-167.171.7000111.4
53N40.9Very low47.5Very low136 Ų136124.9 Ų124.973%0.72770%0.702SS**  trans-133.459.4173.8-158.281.8000111.6S55N53-S55 PolarHBondContact O-N 3.46Å
54G39.9Very low45.6Very low78 Ų78125.4 Ų125.480%0.80471%0.711SS**  trans-65.2126.6167.400000110.1H56G54-H56 PolarHBondContact O-N 3.36Å
55S40.5Very low44Very low119 Ų119125.7 Ų125.783%0.83272%0.722SS**  trans-69.7124.9-175.952.50000112.3N53N53-S55 PolarHBondContact O-N 3.46Å
56H37.6Very low43Very low187 Ų187125.5 Ų125.587%0.86673%0.728SS**  trans-119.8144.5142.1-156.8-78.7000109.9G54G54-H56 PolarHBondContact O-N 3.36Å
57E45.6Very low41.5Very low142 Ų142123.7 Ų123.766%0.66473%0.732SS**  trans-93150.9-174172-175.314000110.9
58N37Very low40.1Very low146 Ų146128.2 Ų128.278%0.78174%0.744SS**  trans45.6118161.6-62.9-28000119.2
59G36.9Very low39.1Very low83 Ų83128.9 Ų128.986%0.85675%0.747SS**  trans175.936.8174.300000117.1
60D34.7Very low38.3Very low147 Ų147132.1 Ų132.179%0.78676%0.757SS**  trans-77.3122.7170.4172.333.6000110.9
61L34.8Very low37.1Very low157 Ų157131.4 Ų131.482%0.82276%0.76SS**  trans-170.2109.3145.8-87.6-159.5000110.9
62D40.9Very low36.3Very low141 Ų141127.9 Ų127.975%0.75475%0.748SS**  trans-159.2115.9138.3-172.96.9000111.5T64D62-T64 PolarHBondContact OD1-N 3.21Å; D62-T64 VanDerWaalsContact OD1-N 3.15Å
63P40.3Very low35.7Very low106 Ų106126.8 Ų126.869%0.68874%0.742SS**  trans-132.786.8154.835.4-19.8000113.8
64T31.1Very low35.3Very low107 Ų107128.6 Ų128.666%0.65675%0.746SS**  60.3107.9129.460.80000121.2D62D62-T64 PolarHBondContact OD1-N 3.21Å; D62-T64 VanDerWaalsContact OD1-N 3.15Å
65S34.9Very low34.7Very low116 Ų116131.2 Ų131.281%0.81174%0.741SS**  trans67.3-173.1132.5-430000117
66P45.2Very low34.6Very low104 Ų104135.6 Ų135.668%0.67574%0.739SS**  cis-129.1-167.3-14.235.1-13.7000113.9
67L28.9Very low34.4Very low151 Ų151133.9 Ų133.979%0.79173%0.732SS**  trans71.3156.7163.3-54.4170.5000116.4
68E28.9Very low34Very low145 Ų145136.3 Ų136.368%0.67874%0.743SS**  cis-148.4149.3-4.2-135.5-173107.900114.8
69N27.6Very low33.9Very low117 Ų117136.1 Ų136.163%0.62675%0.747SS**  trans28.3137.2141.7-73.9-25.7000124.3
70T31.7Very low33.7Very low121 Ų121139.9 Ų139.974%0.74275%0.747SS**  trans62.8151.7139.658.80000118.5
71D31.4Very low33.5Very low138 Ų138136.6 Ų136.674%0.73875%0.749SS**  cis-161.4173.8-4.3-117.7-40.2000105.2
72C28Very low33.2Very low85 Ų85137 Ų13757%0.57475%0.75SS**  cis-165156.317.8-133.90000109.5
73I32.8Very low32.7Very low137 Ų137138.6 Ų138.670%0.70376%0.758SS**  trans39.8127.8131-62.2177.1000118.2
74Q33.1Very low32.3Very low174 Ų174136.7 Ų136.781%0.81376%0.758SS**  cis-153.716347-156.1145.114.900116.8
75D27.6Very low32.4Very low132 Ų132139 Ų13971%0.70677%0.765SS**  trans-54.6152.3-175.3-46.1-88.4000118.2
76R37.3Very low31.9Very low211 Ų211139.1 Ų139.180%0.79676%0.764SS**  -154.7101.6120.4-112.4-178.5-173.3-69.1-7.7113.3
77E33.9Very low31.1Very low151 Ų151143.3 Ų143.371%0.70677%0.772SS**  trans3688.1134.1-56.5170.6120.300118.7
78E36.7Very low31.1Very low194 Ų194144.8 Ų144.891%0.90778%0.775SS**  trans-128.2146146.5-72.7-164151.200109.8
79V35.4Very low31Very low142 Ų142143.1 Ų143.186%0.86178%0.779SS**  trans-114.6137.6-174.7172.40000109.7
80N32.1Very low31Very low161 Ų161145 Ų14586%0.86178%0.784SS**  trans-49139.1-175.1-62.3-1.3000114.5
81G30.4Very low31.3Very low79 Ų79148.1 Ų148.181%0.81479%0.79SS**  trans-164.163170.900000111
82I30.1Very low31.2Very low166 Ų166147.2 Ų147.285%0.85180%0.795SS**  trans-73.3139.7177.951.1156.1000111.5
83D29.9Very low31.1Very low174 Ų174148.6 Ų148.693%0.9380%0.801SS**  trans-151.6127.4145.4-122.2-35.1000109
84G31Very low30.9Very low66 Ų66147.8 Ų147.868%0.6880%0.803SS**  trans-177.556.7-155.900000116.1
85I32.8Very low30.6Very low155 Ų155147 Ų14780%0.79580%0.799SS**  trans57.876.4158.4-42.3172.2000114.5F87I85-F87 HydrophobicContact CG2-CD2 4.18Å; I85-F87 HydrophobicContact CG2-CE2 4.15Å
86C24.3Very low30.7Very low118 Ų118152.4 Ų152.480%0.79781%0.81SS**  trans-104.6118.9157.4-170.10000109.3
87F30.3Very low30.2Very low193 Ų193150.6 Ų150.685%0.84681%0.807SS**  trans-80.5116172.1-91.6-92.8000110.5I85I85-F87 HydrophobicContact CG2-CD2 4.18Å; I85-F87 HydrophobicContact CG2-CE2 4.15Å
88Q27.5Very low30.1Very low181 Ų181152.4 Ų152.485%0.84682%0.816SS**  trans-141.3134.2146.5-75.2-164.458.300109
89S27.7Very low29.8Very low111 Ų111149 Ų14978%0.77681%0.809SS**  trans-157.6159.5133.8-1190000110.8
90E27.4Very low29.6Very low156 Ų156148 Ų14873%0.72981%0.805SS**  trans-75.1149.9-168.344.9-93.673.100116.1
91E37.6Very low29.4Very low186 Ų186146.2 Ų146.287%0.86980%0.804SS**  trans10.9117.3141.6-168176.1145.800119.1
92S28.8Very low29.3Very low119 Ų119150.2 Ų150.283%0.83280%0.803SS**  trans-146.2151.7152.564.60000112.9
93T25.7Very low29.4Very low114 Ų114148 Ų14870%0.69980%0.799SS**  trans-88.6151.7-166.549.10000115
94T29.1Very low29.2Very low121 Ų121147.1 Ų147.174%0.74280%0.795SS**  trans52.6114.8146.655.20000120.5
95E26.5Very low29.2Very low157 Ų157149.8 Ų149.873%0.73480%0.798SS**  -165.3135.8106.2-172.8172.6161.800108.9
96W29.7Very low28.8Very low246 Ų246147.2 Ų147.293%0.93280%0.799SS**  trans-128.8100.8172.924.6-54.8000109.5
97K27.2Very low29.1Very low172 Ų172147.2 Ų147.275%0.74880%0.796SS**  trans-110.598.5-174-167.6174.2-170.3167.60110.2
98E31.9Very low29.1Very low189 Ų189147.5 Ų147.588%0.88380%0.797SS**  trans-75.6126.1-176.7-175.2175.5-153.400111.6
99T30.6Very low29.1Very low123 Ų123145.9 Ų145.976%0.75579%0.794SS**  trans-155.2126.6164.3-56.50000109
100P31.6Very low29.3Very low121 Ų121149.8 Ų149.879%0.78680%0.797SS**  trans-84.3155.8-174.133.8-36.1000112.9
101C27.7Very low29.2Very low123 Ų123150.5 Ų150.583%0.83180%0.8SS**  trans-129.7132.9170.8-167.60000111.3
102M27.4Very low28.8Very low163 Ų163149.6 Ų149.680%0.80380%0.796SS**  trans-85.1140.9177.3-62.8-94.278.600110.7
103P33.5Very low28.9Very low119 Ų119150.9 Ų150.977%0.77379%0.793SS**  trans-78.9121167.231.8-30.7000109.9
104N25.9Very low29.4Very low157 Ų157151.9 Ų151.984%0.8479%0.794SS**  trans-118.8116.7175.5-158.9-11.8000109.5
105V29.2Very low29.4Very low121 Ų121153.2 Ų153.273%0.73380%0.797SS**  trans-96.2101-169178.60000110.5V107V105-V107 HydrophobicContact CG1-CG2 4.18Å
106A26.2Very low29.5Very low101 Ų101151.1 Ų151.184%0.83580%0.799SS**  trans-92.398175.100000111.4
107V28.8Very low29.3Very low119 Ų119148.4 Ų148.472%0.72180%0.797SS**  trans-87122.3167.6177.20000109.4V105V105-V107 HydrophobicContact CG1-CG2 4.18Å
108K30.4Very low29.4Very low198 Ų198144.4 Ų144.486%0.86180%0.795SS**  trans-113.996-177.6178.8-172.9175-176.90109.9
109N28.4Very low29.2Very low147 Ų147143.4 Ų143.479%0.78680%0.795SS**  trans-94.6135.4172.9-84-2.8000111.9
110K31.6Very low29.3Very low193 Ų193143.1 Ų143.184%0.83980%0.799SS**  trans-153124.8157.7-83.2-155.1172.3-157.70108.5
111Q26.3Very low29.6Very low172 Ų172143.3 Ų143.380%0.80480%0.8SS**  trans161.5129.2135.1-166.76330.500108.1
112E28.6Very low29.5Very low166 Ų166141.9 Ų141.978%0.77679%0.791SS**  trans-92148174-59.912813100111
113D30.2Very low29.8Very low146 Ų146141.4 Ų141.478%0.78179%0.79SS**  -172152.2121.6-121-31.6000116.1
114L36.4Very low29.6Very low136 Ų136140.8 Ų140.871%0.71279%0.785SS**  trans4595.8157.4-52.4-174.6000123.5
115N29.5Very low29.6Very low149 Ų149138.9 Ų138.980%0.79778%0.782SS**  47.7131.7114.3-69.2-44.1000124.3
116S29.2Very low29.4Very low112 Ų112139.6 Ų139.678%0.78378%0.782SS**  trans114.9148.1133.6-67.20000121
117E25.4Very low29.6Very low190 Ų190142 Ų14289%0.88878%0.78SS**  trans69.2155.4174.9-130.578.3145.100118
118A28.6Very low29.5Very low87 Ų87141.7 Ų141.772%0.71978%0.783SS**  trans-138.4-169.5-156.200000114.2
119L27.1Very low29.4Very low168 Ų168137.7 Ų137.788%0.8878%0.78SS**  trans8289.2170.7-51.4177.2000117.1
120S32.9Very low29.8Very low118 Ų118140.8 Ų140.883%0.82578%0.78SS**PPolyproline II helixtrans-72.7130.7149.5-50.30000109.8
121P37.9Very low29.8Very low125 Ų125136.3 Ų136.381%0.81277%0.769SS**PPolyproline II helixtrans-76.7134.9164.231-31.5000110.3
122S26.7Very low29.7Very low93 Ų93134 Ų13465%0.6577%0.767SS**PPolyproline II helixtrans-79172.1165.654.30000111.4
123I33.9Very low29.8Very low152 Ų152131.8 Ų131.878%0.77977%0.765SS**  178.5101.4127.8-85.4148.2000103.6
124T28.3Very low29.8Very low107 Ų107132.8 Ų132.866%0.65677%0.765SS**  64.2157.87277.20000112.3
125C26.6Very low30.1Very low117 Ų117131.5 Ų131.579%0.79177%0.765SS**  cis-153.3157.217.8-148.60000113
126D24.8Very low29.9Very low136 Ų136128 Ų12873%0.72776%0.764SS**  trans-104.9-178.8159.7-157.7-29.5000108.6
127L30.1Very low30Very low152 Ų152128.7 Ų128.780%0.79677%0.769SS**  trans80.2119.1167.6-44.6177.8000118
128S26.6Very low30.1Very low112 Ų112123.5 Ų123.578%0.78377%0.766SS**  145.4130.191-166.30000116.1
129S29.1Very low30.3Very low113 Ų113124.9 Ų124.979%0.7977%0.771SS**  trans177.1143.6144.5470000110.8
130R36.9Very low30.8Very low212 Ų212122.6 Ų122.680%0.877%0.766SS**  cis-173.9155.7-20.6-131179.5137.5-105.7-5.4107.5
131V29.9Very low30.6Very low99 Ų99121.4 Ų121.460%0.676%0.763SS**  cis-112.8-111.94.5-158.30000111.6
132T26Very low30.2Very low123 Ų123119.9 Ų119.976%0.75576%0.755SS**  cis-152.5162.4-2.4-46.40000110.7
133T29.8Very low30.4Very low121 Ų121122.9 Ų122.974%0.74276%0.764SS**  trans-77157.1177.744.80000114.2
134E31.1Very low30.2Very low166 Ų166123.1 Ų123.178%0.77677%0.767SS**  cis-157.9-173.110.8-115.4-82.487.800109.2
135P41.1Very low31Very low110 Ų110124 Ų12471%0.71478%0.775SS**  -115.1173.7-128.543.2-28.7000116.3
136G25.8Very low31Very low76 Ų76122.2 Ų122.278%0.78478%0.776SS**  trans-178.967.8174.600000119
137S31.2Very low31.3Very low125 Ų125122.1 Ų122.187%0.87478%0.784SS**  trans35.297.6151.2-175.60000121.1
138G27.8Very low31.4Very low81 Ų81118.1 Ų118.184%0.83578%0.779SS**  72.9117.3121.700000120.8
139S31.7Very low31.6Very low117 Ų117119.3 Ų119.382%0.81878%0.782SS**  trans-144.1138.8161.7-179.90000109.9
140P38.3Very low32.3Very low120 Ų120119.7 Ų119.778%0.77978%0.782SS**  trans-93.3162.1169.436.5-32000112.9
141A28.3Very low31.8Very low92 Ų92116.1 Ų116.176%0.7678%0.783SS**  trans-75-177.5175.400000111.5
142S31.1Very low32.2Very low93 Ų93116.6 Ų116.665%0.6579%0.791SS**  cis-165.9-179.725.2-154.60000115.1
143D30.5Very low32.5Very low156 Ų156118.4 Ų118.483%0.83480%0.796SS**  trans83.8147150-54.8-28000120.8
144N29.3Very low32.7Very low158 Ų158119.7 Ų119.785%0.84580%0.798SS**  trans-131.1135.9-172.1-163.719000108
145P44.4Very low33.1Very low126 Ų126118 Ų11882%0.81880%0.802SS**  trans-97.5170.2-15837.5-36.4000115.8
146G27.7Very low32.7Very low78 Ų78117.2 Ų117.280%0.80480%0.804SS**  trans-142.587.5-179.500000116.1
147C31.2Very low33.2Very low135 Ų135119 Ų11991%0.91281%0.805SS**  trans30.1126147.8-164.50000123.4
148G31.1Very low33.2Very low67 Ų67121 Ų12169%0.69181%0.806SS**  trans100.5151.4142.900000117.6
149T30.9Very low33.6Very low138 Ų138124 Ų12485%0.84780%0.803SS**  cis-156.3146.8-5.4-52.40000109.1
150P43.5Very low33.9Very low120 Ų120124.5 Ų124.578%0.77980%0.804SS**  trans-106.1168.1-166.240-36.7000116.8
151V27.5Very low33.7Very low137 Ų137123.2 Ų123.283%0.8380%0.803SS**  trans-152.4143.5161.5127.20000113.3
152S37.3Very low33.9Very low109 Ų109123.9 Ų123.976%0.76280%0.802SS**  trans12.4144.6162.4-490000124.6
153D31.9Very low33.9Very low161 Ų161126.4 Ų126.486%0.86181%0.808SS**  -158.5170122.2-130.8-30.7000115
154N35.2Very low34.2Very low148 Ų148126.3 Ų126.379%0.79181%0.808SS**  trans-112.6161.8179.7-80-61.5000113.7
155P40.2Very low34.7Very low132 Ų132125 Ų12586%0.85781%0.808SS**  trans-140.6-178.1138.635.8-19.8000114.6
156A32.2Very low34Very low92 Ų92123.2 Ų123.276%0.7680%0.804SS**  trans-142.4167.5-167.700000115.5
157S36.7Very low34.3Very low115 Ų115124.8 Ų124.880%0.80480%0.802SS**  trans59.9129.1158.6-61.90000121.1
158D31.4Very low34.3Very low165 Ų165126 Ų12688%0.88280%0.8SS**  -164.5173.3103.2-124.7-32.2000114.1
159N34.3Very low34.4Very low144 Ų144130.5 Ų130.577%0.7781%0.808SS**  trans-130.8149.6-178.3-110.9-59.2000111.3
160P38.9Very low35.8Very low129 Ų129129.3 Ų129.384%0.83880%0.803SS**  -153.9-166.496.740.1-20.2000115.3
161A33.6Very low35.1Very low93 Ų93131.5 Ų131.577%0.76981%0.808SS**  trans-135.2-173.8-172.700000114.5
162S33.3Very low35.6Very low105 Ų105130.1 Ų130.173%0.73480%0.804SS**  trans75147.8-177.3-94.40000116
163D31.4Very low35.3Very low147 Ų147127.9 Ų127.979%0.78680%0.799SS**  cis-143.4172.68.4-99.6-35.7000113.8
164N35.8Very low35.2Very low153 Ų153127.3 Ų127.382%0.81880%0.796SS**  trans-86.1159.4173.4-75.6-87.5000113.2
165P40.1Very low35.1Very low130 Ų130127.3 Ų127.384%0.84480%0.795SS**  -133.8-176.5113.638.3-29.2000113.9
166A30.8Very low34.6Very low90 Ų90125.7 Ų125.774%0.74479%0.793SS**  trans-135.8171.9-165.100000114.5
167S33.6Very low34.6Very low110 Ų110126.4 Ų126.477%0.76980%0.799SS**  trans68.6151.5172.6-59.20000115.5
168D30.5Very low34.3Very low162 Ų162124.2 Ų124.287%0.86679%0.794SS**  cis-138.7-17332.7-95.9-50.7000115
169N33Very low34.3Very low160 Ų160125 Ų12586%0.85679%0.793SS**  trans-119.2178.3-174.8-1232.8000112.5
170P60.5Low34.1Very low114 Ų114125.3 Ų125.374%0.7479%0.794SS**  trans-106.8167.6-149.741.4-40.9000118.3
171D29.5Very low33.7Very low165 Ų165122.6 Ų122.688%0.88278%0.782SS**  trans-168.7163.9165-150.154.5000108.6
172S37.5Very low33.6Very low108 Ų108124.3 Ų124.376%0.75578%0.783SS**  cis-170.9174.2-41.1-1750000111
173G30.2Very low33.5Very low63 Ų63125.1 Ų125.165%0.64978%0.784SS**  trans121.5128.2177.100000114
174D30Very low33.5Very low149 Ų149123.7 Ų123.780%0.79778%0.78SS**  cis75.7135.120.6-138.920.8000113.5
175L32.8Very low33.2Very low147 Ų147125.3 Ų125.377%0.7778%0.783SS**  cis-149154.732.8-78.6152.9000115.2
176A30.8Very low32.6Very low98 Ų98122.6 Ų122.681%0.8177%0.771SS**  trans64.3161.5143.400000121.3
177A31.9Very low32.7Very low107 Ų107125.3 Ų125.388%0.88478%0.779SS**  cis-169.8166.9-24.200000111.9
178G29.8Very low32.4Very low69 Ų69124.1 Ų124.171%0.71178%0.783SS**  trans136.3114.4170.300000113.1
179E31.2Very low32.3Very low183 Ų183123.4 Ų123.486%0.85578%0.779SS**  58.6121.583.9-86.1-155.7125.300114.1
180L31Very low32.2Very low150 Ų150120.6 Ų120.679%0.78577%0.772SS**  cis-155172.17.2-79.4170.7000109.4
181A31.2Very low30.7Very low72 Ų72119 Ų11960%0.59577%0.769SS**  cis-178.2178.8-31.700000111.8
182T30.8Very low30.6Very low128 Ų128116.7 Ų116.779%0.78577%0.765SS**  trans81.1137.615719.60000123.7
183T30.1Very low30.1Very low123 Ų123119.6 Ų119.676%0.75577%0.766SS**  trans61.192.4153.845.70000120.5
184V32.2Very low30Very low117 Ų117123.8 Ų123.871%0.70977%0.769SS**  77.3123.772.9173.50000115.5
185Q29.6Very low30.7Very low187 Ų187121.4 Ų121.487%0.87476%0.761SS**  trans66.3163.6167.6-76.1170.27700117.3
186A28.7Very low31.1Very low72 Ų72119.5 Ų119.560%0.59576%0.758SS**  cis-176.5158.1-37.700000108.5
187T31.3Very low31.1Very low148 Ų148120 Ų12091%0.90876%0.756SS**  trans23.7110.4155.554.40000119.2
188G28.8Very low31Very low84 Ų84119.9 Ų119.987%0.86675%0.748SS**  trans-157.3145.4166.500000112
189D27.8Very low31.1Very low147 Ų147124 Ų12479%0.78675%0.754SS**  trans-137.6157.5-179.8171.164.4000109.6
190S31.4Very low31.6Very low101 Ų101120.8 Ų120.871%0.70675%0.749SS**  trans65153.7173.7-67.90000116.5
191A28.8Very low31.5Very low82 Ų82119.2 Ų119.268%0.67875%0.751SS**  cis-169.9175.6-19.500000109.3
192C27Very low31.6Very low116 Ų116121.3 Ų121.378%0.78476%0.761SS**  trans71.8149160.9-66.30000118.5
193E26.1Very low31.7Very low168 Ų168120.1 Ų120.179%0.78576%0.758SS**  cis-158.4178-7.3-91.1-92.8118.500110.6
194E27.8Very low31.7Very low151 Ų151122 Ų12271%0.70676%0.763SS**  trans-48.8-179.6177.7-92.9-155.398.300120.4
195P44.8Very low32Very low99 Ų99122.3 Ų122.364%0.64377%0.768SS**  cis-141.7-139.4-42.343.7-23.4000110.9
196P42.7Very low32Very low107 Ų107120.4 Ų120.470%0.69577%0.769SS**  cis-126.5171.9-39.839.1-24.4000115
197S30Very low32.2Very low109 Ų109123.1 Ų123.176%0.76278%0.783SS**  154.7133.312856.80000118.2
198S30.1Very low32.2Very low104 Ų104121.2 Ų121.273%0.72778%0.776SS**  trans54.6116.9150.555.30000124.5
199D32.5Very low32.2Very low157 Ų157126.3 Ų126.384%0.8478%0.778SS**  trans6.7164.7136-58.8-78.9000122.9
200P40Very low32.6Very low114 Ų114125.3 Ų125.374%0.7478%0.779SS**  cis-140.317414.143.8-26.8000118.5
201S29.7Very low32.6Very low118 Ų118126.6 Ų126.683%0.82579%0.788SS**  trans56.3151.8154.8-127.90000119.6
202S33.9Very low32.7Very low115 Ų115128.4 Ų128.480%0.80480%0.795SS**  cis-144.817921.2-169.10000111.8
203S31.7Very low33Very low103 Ų103128 Ų12872%0.7279%0.794SS**  trans-115.1134.5-16757.80000115.8
204D31.2Very low33.2Very low163 Ų163128.4 Ų128.487%0.87280%0.796SS**  trans-98.5132.1162.3-80.5-52.3000111.5
205P38.1Very low33.5Very low124 Ų124127 Ų12781%0.80580%0.8SS**  trans-87.4126.4170.333.1-30.5000111.6
206T29.2Very low32.6Very low146 Ų146127.9 Ų127.990%0.89680%0.804SS**  trans-111.1138.6161.445.70000109.1
207S33.5Very low32.1Very low129 Ų129129 Ų12990%0.90281%0.813SS**  trans-127.3142.9177.2-168.30000110
208S32.2Very low32.2Very low108 Ų108129.2 Ų129.276%0.75581%0.814SS**  trans-108.5150.1-166.452.60000113.4
209E28.8Very low32.6Very low192 Ų192133.4 Ų133.490%0.89782%0.822SS**PPolyproline II helixtrans-56.2133176.7-65.6172.285.800113.6
210P35.5Very low32.8Very low125 Ų125132 Ų13281%0.81282%0.821SS**PPolyproline II helixtrans-87125.8161.233-29.9000110.9
211S30Very low32.3Very low128 Ų128134.6 Ų134.690%0.89583%0.828SS**PPolyproline II helixtrans-72.5130.2169.2178.70000110.4
212S33Very low32.4Very low120 Ų120135.3 Ų135.384%0.83983%0.832SS**  trans-118.9139.1172.2-171.60000110.9
213S32.3Very low32.3Very low109 Ų109133 Ų13376%0.76283%0.827SS**  trans-106.8141.7-173.854.40000112.8
214E30.3Very low32.3Very low176 Ų176135.7 Ų135.782%0.82283%0.833SS**PPolyproline II helixtrans-59.6124.8179.9-175.5179.9164.900113.5
215P35.1Very low32.6Very low120 Ų120133.3 Ų133.378%0.77983%0.827SS**PPolyproline II helixtrans-89.8125.4170.634.1-31.3000111.4
216T25.6Very low32Very low118 Ų118134.3 Ų134.372%0.72483%0.831SS**PPolyproline II helixtrans-88.7133.1173.949.50000111.9
217C32.6Very low32.1Very low132 Ų132132.4 Ų132.489%0.89282%0.823SS**PPolyproline II helixtrans-62.8142.8175.3-58.60000112.9
218S32Very low31.9Very low113 Ų113135.6 Ų135.679%0.7982%0.824SS**  trans-154.1135.8168.6-69.70000109.3
219E37.6Very low31.7Very low191 Ų191138.9 Ų138.989%0.89383%0.827SS**PPolyproline II helixtrans-77.7138.4179.4-67.2171.8102.200111.7
220P36.3Very low31.6Very low127 Ų127134 Ų13483%0.82582%0.82SS**PPolyproline II helixtrans-86.5131.4162.433-29.9000111.1
221I29.7Very low31.1Very low170 Ų170130.6 Ų130.687%0.87280%0.802SS**PPolyproline II helixtrans-92.1128168.837.1171.7000109.4
222S32.7Very low31.2Very low132 Ų132126.6 Ų126.692%0.92377%0.774SS**PPolyproline II helixtrans-78.5146.1179.7-1770000112.4
223G30.3Very low31.1Very low68 Ų68126.8 Ų126.870%0.70176%0.762SS**  trans-156.7142.8-179.200000111.9
224D32.8Very low30.9Very low158 Ų158127.8 Ų127.885%0.84576%0.758SS**  trans-85.7130.5-159.8-167.223.2000114.2
225P36.2Very low30.8Very low113 Ų113127.6 Ų127.673%0.73476%0.762SS**  trans-103.2151.3175.137.3-30.9000114.3
226V27Very low30.4Very low146 Ų146128.3 Ų128.389%0.88576%0.764SS**  trans-104.2150.2-174.4177.50000112.4
227S30.7Very low30.5Very low105 Ų105128 Ų12873%0.73477%0.767SS**  trans-84.6156.3-176.4-178.80000115
228E28.7Very low30.2Very low197 Ų197125.4 Ų125.492%0.92176%0.762SS**  trans-159.1168.3151.6-116.2166.6-139.500112.2
229E27.7Very low30Very low176 Ų176126.7 Ų126.782%0.82276%0.76SS**  trans-82.2160.2-163.2-55.4-175.593.300117.7
230A26.6Very low29.5Very low91 Ų91122.8 Ų122.875%0.75275%0.753SS**  trans-174.8159.4138.900000115.3L504A230-L504 HydrophobicContact CB-CD1 4.28Å
231A25.3Very low28.9Very low52 Ų52122.6 Ų122.643%0.4375%0.75SS.*  trans-168.4-143.5-174.300000115.1L503 L504A231-L503 VanDerWaalsContact CB-CA 3.44Å; A231-L503 HydrophobicContact CB-CB 4.11Å; A231-L503 HydrophobicContact CB-CD2 3.84Å; A231-L503 HydrophobicContact CB-CG 4.18Å; A231-L504 HydrophobicContact CB-CB 4.05Å; A231-L504 HydrophobicContact CB-CD1 4.35Å; A231-L504 HydrophobicContact CB-CG 3.77Å
232S33.3Very low28.7Very low44 Ų44120.4 Ų120.431%0.30875%0.749SS.*  trans15974.5-173.2-83.90000124.5L503 L504S232-L503 PolarHBondContact OG-O 3.29Å; S232-L504 VanDerWaalsContact OG-CA 3.31Å; S232-L504 WeakPolarHBondContact OG-CA 3.43Å; S232-L504 WeakPolarHBondContact OG-CB 3.38Å
233H30.2Very low28.4Very low125 Ų125119 Ų11958%0.57974%0.739SS**  trans62.4145.6168.3-47.5-68.2000119.6L503H233-L503 VanDerWaalsContact N-CB 3.34Å; H233-L503 PolarHBondContact N-O 2.92Å; H233-L503 WeakPolarHBondContact O-CD1 3.33Å
234D28.3Very low28.2Very low129 Ų129125.2 Ų125.269%0.6975%0.75SS**  cis91.5115.623.8-167.131.4000117.8
235L28.7Very low28.3Very low172 Ų172122.9 Ų122.990%0.90174%0.743SS**  trans-157.5138.2167.1-85.4-172.3000113.6
236V26.3Very low27.7Very low135 Ų135124.1 Ų124.182%0.81875%0.748SS**  trans-94.9165.3173.177.70000109.6
237S28.4Very low27.8Very low113 Ų113122.2 Ų122.279%0.7974%0.741SS**  cis-158.3159.123-1690000111.8
238G26.1Very low27.6Very low76 Ų76120.3 Ų120.378%0.78474%0.738SS**  trans-172.4118.2168.900000112.4
239D28Very low27.5Very low140 Ų140118.8 Ų118.875%0.74973%0.731SS**  trans-96.7140.4-174172.1-91000113.2
240S26Very low27.5Very low109 Ų109116.3 Ų116.376%0.76273%0.731SS**  168.5163.1127.8-96.50000113.3
241T23.7Very low27.4Very low123 Ų123117.5 Ų117.576%0.75573%0.728SS**  trans-117.3143.1-154.257.40000116.6
242C24.9Very low27.6Very low124 Ų124119.8 Ų119.884%0.83874%0.741SS**  trans176.6147.7136.6-98.60000109.5
243S27.8Very low27.6Very low103 Ų103126.1 Ų126.172%0.7277%0.765SS**  cis-168.8121.4-12.347.80000110.6
244E25.2Very low27.6Very low198 Ų198128.4 Ų128.493%0.92578%0.776SS**  trans50.6156.3169.2-72.7-167.977.800121.7
245P35.2Very low28Very low109 Ų109124.4 Ų124.471%0.70876%0.761SS**  trans-130-141.7-158.740.6-19.2000114
246V24.4Very low28.2Very low140 Ų140119.5 Ų119.585%0.84875%0.745SS**  trans81.2132.2173.7-177.90000114
247S29.4Very low28.4Very low105 Ų105116.2 Ų116.273%0.73473%0.728SS**  cis-162.5156.5-11.2-179.40000106.5
248G24.8Very low28.5Very low65 Ų65115.8 Ų115.867%0.6773%0.725SS**  65.7127.654.600000111.2
249E26.9Very low28.7Very low166 Ų166120.1 Ų120.178%0.77673%0.725SS**  cis-168.4159.63.6-178.8-174.812500107.9V251E249-V251 WeakPolarHBondContact OE1-CG2 3.5Å
250P28.5Very low29.3Very low124 Ų124118.9 Ų118.981%0.80573%0.725SS**  trans-120.8140.2166.337.2-25.8000114.9
251V24.2Very low29.4Very low115 Ų115117.1 Ų117.170%0.69772%0.717SS**  trans-131.5156.3175.9170.80000111.2E249E249-V251 WeakPolarHBondContact OE1-CG2 3.5Å
252S30.1Very low29.6Very low100 Ų100117.9 Ų117.970%0.69972%0.722SS**  trans-42.3175.6177.8-43.60000116.8
253H31.6Very low29.8Very low177 Ų177117.6 Ų117.682%0.81972%0.721SS**  -173.4-174.450.443.2-87.8000116.4
254E30.2Very low29.7Very low173 Ų173121 Ų12181%0.80873%0.726SS**  trans-47.6-177.2-177.9-74.6-175.388.600121.2
255A36.7Very low30.7Very low46 Ų46116.4 Ų116.438%0.3871%0.713SS.*  cis171.7138.6-4000000114.7Q526 E527A255-Q526 WeakPolarHBondContact O-CA 3.43Å; A255-E527 PolarHBondContact O-N 3.28Å
256A33.5Very low30.4Very low68 Ų68115.4 Ų115.456%0.56271%0.714SS**  trans65.2142.1140.400000126.8Q526A256-Q526 WeakPolarHBondContact O-CG 3.22Å; A256-Q526 PolarHBondContact O-NE2 3.42Å
257S30.8Very low30.6Very low66 Ų66113.9 Ų113.946%0.46271%0.709SS.*  trans-167.4-163.5151-1440000109.9Q526 E527S257-Q526 PolarHBondContact OG-NE2 3.01Å; S257-E527 WeakPolarHBondContact CB-OE1 3.33Å; S257-E527 WeakPolarHBondContact CB-OE2 3.45Å; S257-E527 PolarHBondContact N-OE1 2.93Å
258S30.2Very low30.6Very low104 Ų104116.8 Ų116.873%0.72772%0.716SS**  cis-155.1-163.22.651.50000111.7
259E29.5Very low30.7Very low167 Ų167122.1 Ų122.178%0.7872%0.724SS**  trans-155.1-179.2-176.7-124-150.3102.200110.7A261E259-A261 PolarHBondContact OE1-N 3.31Å
260P40.8Very low32Very low114 Ų114118.8 Ų118.874%0.7472%0.717SS**  cis-151.4163.82943.3-20.9000123
261A28.8Very low32.1Very low72 Ų72119.5 Ų119.560%0.59572%0.718SS**  trans67.915513700000128E259E259-A261 PolarHBondContact OE1-N 3.31Å
262T27.5Very low32.3Very low140 Ų140118.1 Ų118.186%0.85972%0.719SS**  trans93.1150.5166.771.30000118.7
263S29.2Very low32.2Very low118 Ų118124.8 Ų124.883%0.82573%0.729SS**  cis-157.1-141.9-12.449.40000114.1
264E25.8Very low31.9Very low175 Ų175122.1 Ų122.182%0.81873%0.725SS**  trans-158.6-173.7-162.8-128.7-150.2111.600111.3
265P46.4Very low31.9Very low101 Ų101120.6 Ų120.666%0.65673%0.727SS**  cis-140.2-161-2.444.9-24.6000116.9
266A28Very low31.5Very low88 Ų88122.6 Ų122.673%0.72774%0.744SS**  trans76.1160.1151.700000121.4
267S29.4Very low31.2Very low107 Ų107123.5 Ų123.575%0.74875%0.751SS**  cis-171.9170.3-21.2-91.60000114.2
268D29.7Very low31.1Very low166 Ų166126.1 Ų126.189%0.88877%0.768SS**  trans85.3153.8153.3-85.1-62.5000125.3
269E26.3Very low30.9Very low177 Ų177129.4 Ų129.483%0.82777%0.772SS**  trans-123.5-161.7-173.8-134.5-162.5125.800109.6
270P55.7Low30.9Very low96 Ų96128.6 Ų128.662%0.62377%0.772SS**  cis-137.9-159.5-22.428.6-2.8000115.2
271V29.5Very low30.2Very low139 Ų139127.1 Ų127.184%0.84277%0.77SS**  trans106.2153.4152.2-169.50000119.1
272A28.8Very low31.3Very low87 Ų87130.1 Ų130.172%0.71978%0.783SS**  trans-145176.5-165.400000114.8
273R27.7Very low31.3Very low239 Ų239127.1 Ų127.190%0.90278%0.78SS**  trans134.5144.8167.9-80.5175.7174.9-134.7-2.4110.5
274V25.9Very low31.5Very low121 Ų121130.3 Ų130.373%0.73378%0.782SS**  cis102.2135.624.9167.90000113.9
275V30Very low31.8Very low142 Ų142126.9 Ų126.986%0.86178%0.777SS**  trans65.1160.4178.2-66.50000119.2
276A27.4Very low31.2Very low88 Ų88126.5 Ų126.573%0.72778%0.782SS**  cis-178.3165.3-3800000111.9
277A27.5Very low31.6Very low87 Ų87129.7 Ų129.772%0.71979%0.787SS**  trans77.7117.8142.800000124.6
278C30.2Very low31.6Very low120 Ų120131.6 Ų131.681%0.81179%0.788SS**  84.6158.3122.3-65.70000125.2
279E26Very low31.8Very low173 Ų173130.1 Ų130.181%0.80878%0.78SS**  trans72.9144.9168.2-61.6-165.695.300117.9
280L28.8Very low32.2Very low150 Ų150127.1 Ų127.179%0.78578%0.778SS**  cis-156177.1-2.8-121.3173.8000111.4
281A26.4Very low31Very low84 Ų84127 Ų12769%0.69479%0.785SS**  trans-97-169.217700000112.2
282P50.5Low31.8Very low134 Ų134125.7 Ų125.787%0.8778%0.78SS**  cis-137.6-171.2-2.543.9-25.1000116
283G27.8Very low32.2Very low77 Ų77127.6 Ų127.679%0.79479%0.788SS**  trans-171157.4169.700000113.5
284E33.5Very low32.4Very low186 Ų186120 Ų12087%0.86978%0.784SS**  trans-148.5168.6-167.3-149.8-160.4121.100114.2
285S33.2Very low32.6Very low102 Ų102121.5 Ų121.571%0.71379%0.787SS**  trans72.3137.7170.9-51.50000117.3
286A32.7Very low32.7Very low93 Ų93119 Ų11977%0.76978%0.776SS**  cis113.1126.97.900000115.1
287L36Very low32.9Very low156 Ų156123.2 Ų123.282%0.81778%0.781SS**  trans170124.2163.1-91.3157.4000106.7
288D31.1Very low32.9Very low146 Ų146124 Ų12478%0.78178%0.781SS**  63.2140.384.8-78.2-96.8000115.7
289D33.6Very low33.1Very low135 Ų135125.4 Ų125.472%0.72278%0.781SS**  cis-167.6-177.5-27.3-170.4-106.5000108.3
290C33.6Very low33.8Very low114 Ų114126 Ų12677%0.7778%0.783SS**  trans75.3131.2167.3-75.50000120.5
291A32.2Very low34.7Very low95 Ų95123.9 Ų123.979%0.78578%0.779SS**  trans-86.2172.6165.700000110.3
292P45.5Very low35.7Very low111 Ų111125 Ų12572%0.72178%0.779SS**  -149.2177.154.542.7-23.4000117.6
293S36.6Very low34.6Very low127 Ų127123.3 Ų123.389%0.88877%0.77SS**  trans68.4142.5159.3710000118.7
294G32.6Very low34.8Very low80 Ų80125 Ų12583%0.82577%0.77SS**  trans150131.7176.800000111.3
295D30.8Very low34.6Very low151 Ų151124.5 Ų124.581%0.80777%0.767SS**  trans-83.3148.5-171.5-129.5-64.4000113.7
296S30.5Very low34.6Very low90 Ų90126 Ų12663%0.62977%0.768SS**  trans48127.1143.9-69.90000123.7
297Q31.5Very low34.4Very low177 Ų177126.9 Ų126.983%0.82777%0.768SS**  trans78.2117.4142.2-67.2176.7-5.400120.9
298S28.6Very low34.3Very low103 Ų103126.8 Ų126.872%0.7277%0.767SS**  trans69.2144.4141.4-79.20000119.5
299D33.4Very low34.5Very low149 Ų149124.8 Ų124.880%0.79776%0.762SS**  cis-138.3173.36.1-94.6-42.5000113.5
300E42.1Very low34.2Very low186 Ų186129.5 Ų129.587%0.86977%0.77SS**  trans-63.4138.9178-157.5-171.610700113.2
301P47.4Very low33.9Very low105 Ų105128.7 Ų128.768%0.68277%0.765SS**  -149.7-166.1110.844.1-27.8000111.2
302P46.4Very low33.5Very low108 Ų108130.1 Ų130.170%0.70176%0.764SS**  cis-137178.4-1.745.1-28.6000116.9
303S28.4Very low32.6Very low99 Ų99130.6 Ų130.669%0.69277%0.769SS**  trans-2.2143.7151.263.70000121.3
304S31Very low32.3Very low111 Ų111130 Ų13078%0.77677%0.765SS**  162.5156.3103.350.20000113.4
305E30.5Very low32.2Very low176 Ų176129.4 Ų129.482%0.82276%0.759SS**  trans-86.3138.8-171.953.5-96.553.500117.1
306D31.9Very low32.3Very low135 Ų135130.8 Ų130.872%0.72277%0.765SS**  trans13.9110.4145.9-163.70.5000120.2
307S29.1Very low32.3Very low110 Ų110130.5 Ų130.577%0.76977%0.768SS**  -166.3113.9129.6-86.20000114
308L33.5Very low32.3Very low154 Ų154128 Ų12881%0.80677%0.77SS**  trans18.3139.6142.4-52.2178.7000119.4
309P35.4Very low32.5Very low104 Ų104126.3 Ų126.368%0.67577%0.769SS**  cis-154.4-172.644.244.6-24.6000117.2
310R27.9Very low32.5Very low235 Ų235127.9 Ų127.989%0.88777%0.772SS**  trans67.8122.6159.7-75.9178.6175.7141.20.4116.7
311S26.5Very low32Very low96 Ų96126 Ų12667%0.67177%0.767SS**  84.57062.1-176.70000115
312V24Very low31.1Very low126 Ų126126.9 Ų126.976%0.76477%0.77SS**  trans63.8146.1140.5-57.50000122.5
313C26.1Very low30.9Very low120 Ų120127.1 Ų127.181%0.81177%0.772SS**  trans72.6141.1158-66.80000118.4
314S31.5Very low31Very low116 Ų116126 Ų12681%0.81178%0.775SS**  cis-177.5155.6-4.945.80000112.6
315G29.3Very low30.8Very low67 Ų67128.9 Ų128.969%0.69178%0.777SS**  trans105.5148154.500000115.7
316L32.7Very low30.5Very low179 Ų179127.1 Ų127.194%0.93777%0.772SS**  cis-154.5156.7-4.4-73.4175.5000107.1
317A30.8Very low30.1Very low84 Ų84125.6 Ų125.669%0.69477%0.772SS**  cis-165.6-177.5-20.900000105.3
318S32.6Very low29.9Very low124 Ų124126.6 Ų126.687%0.86777%0.774SS**  cis-153.817214.5-71.30000107.7
319G32.5Very low29.7Very low68 Ų68127.6 Ų127.670%0.70177%0.774SS**  cis159.6157.8-6.200000111.6
320E33.2Very low30.5Very low183 Ų183128 Ų12886%0.85578%0.776SS**  trans64.6136.3170.3-75.7-173.455.800118.4
321L30.5Very low30.3Very low146 Ų146120.4 Ų120.476%0.76476%0.764SS**  cis-133.7163.8-1.9-104.4174000112.2
322T29.5Very low30.4Very low123 Ų123122 Ų12276%0.75577%0.77SS**  trans-118.4-175-168.850.70000111.2
323P42.7Very low30.5Very low114 Ų114123.1 Ų123.174%0.7477%0.772SS**  -136.8171.1-52.637.4-22.5000114.1
324G29Very low30.6Very low74 Ų74122.8 Ų122.876%0.76377%0.766SS**  trans69.7-177.3140.300000119.2
325E26.8Very low30.5Very low173 Ų173123.4 Ų123.481%0.80877%0.765SS**  cis-154.8162.5-11.4-143-173.968.700112.5
326L25.8Very low30.5Very low138 Ų138129.3 Ų129.372%0.72377%0.771SS**  trans12.6117.5155.1-77.5169.1000121.2
327S23.2Very low31.1Very low103 Ų103125.5 Ų125.572%0.7276%0.758SS**  81.2170.9111.7-157.30000120.8
328V25.2Very low31.1Very low132 Ų132126.7 Ų126.780%0.876%0.761SS**  trans79.9138.4165.7-1590000118.2
329E29Very low31Very low174 Ų174126 Ų12681%0.81376%0.756SS**  trans-43.2179.5155.1-78.6-151.9129.400115.9
330P50.8Low30.8Very low112 Ų112127.7 Ų127.773%0.72776%0.757SS**  cis-135.6-1677.623.92.8000115.3
331A25.1Very low30.5Very low77 Ų77123 Ų12364%0.63675%0.75SS**  trans105.6102.9134.100000120.6
332T27.7Very low30.2Very low129 Ų129122.2 Ų122.279%0.79175%0.751SS**  59.3117.6127.162.80000122.8
333D26.8Very low29.9Very low150 Ų150121.8 Ų121.880%0.80275%0.751SS**  100.9151.8127.7-128.6-47.6000122.2
334T27.8Very low29.1Very low112 Ų112125.5 Ų125.569%0.68776%0.759SS**  trans89.686144.3-70.30000120.5
335V29.7Very low28.9Very low130 Ų130125.9 Ų125.979%0.78876%0.755SS**  trans65.3109.9145.3-112.40000124.3
336K30.2Very low29.1Very low190 Ų190121.3 Ų121.383%0.82675%0.754SS**  3160.4111.4-103.2-161.2174.4179.20119
337P45.1Very low29.9Very low100 Ų100121.1 Ų121.165%0.64976%0.761SS**  cis-148167.32740.1-19.1000120.6
338S29.2Very low30.2Very low109 Ų109123.3 Ų123.376%0.76277%0.765SS**  trans67151.9141.552.60000121.4
339S31.2Very low31.4Very low108 Ų108122.8 Ų122.876%0.75576%0.764SS**  cis-165.5164.5-24.1-165.40000110.8
340S28.4Very low31.3Very low104 Ų104122.2 Ų122.273%0.72777%0.766SS**  trans-47.5155.7172.358.60000117.9
341A26.5Very low30.5Very low85 Ų85125.4 Ų125.470%0.70277%0.769SS**  173.7172.8110.200000113.5
342V23.5Very low30.8Very low130 Ų130127.6 Ų127.679%0.78877%0.774SS**  trans71.1119.6165.7-165.30000113.9
343C24.7Very low31Very low114 Ų114129.7 Ų129.777%0.7778%0.775SS**  cis90.8144.139.8-62.90000114.6
344E24.6Very low32Very low192 Ų192127.4 Ų127.490%0.89777%0.768SS**  trans65.7170.6172.3-63.7-161.5124.300117.8
345A26.5Very low32.1Very low82 Ų82126.7 Ų126.768%0.67877%0.768SS**  cis-171124-47.700000110.1
346G30.1Very low32.2Very low77 Ų77124.9 Ų124.979%0.79476%0.761SS**  trans64.3-163.5-178.400000113.6
347P43.5Very low32.3Very low133 Ų133121.9 Ų121.986%0.86475%0.754SS**  cis-124.6-156.5-1.943.1-27.8000113.1
348D29.2Very low31.7Very low150 Ų150124.1 Ų124.180%0.80276%0.761SS**  trans-60.2164.6173.6-90.1-66.2000115.6
349P50.3Low32Very low120 Ų120124.2 Ų124.278%0.77976%0.762SS**  trans-79156.8-174.332.8-36.9000115
350D26.9Very low32.2Very low162 Ų162125.9 Ų125.987%0.86676%0.762SS**  trans-101.9-179.1-177.9-155.1-1.9000113.4
351K32.5Very low32.4Very low180 Ų180128.1 Ų128.178%0.78377%0.766SS**  trans-102.8160.4-163-66.4-174.5178.4-176.50116
352T31.5Very low32.9Very low122 Ų122129.4 Ų129.475%0.74877%0.768SS**  trans9.8150.5137.6-29.40000120.9
353E32.3Very low34Very low174 Ų174129.2 Ų129.281%0.81377%0.77SS**  trans97.7159.3159.4-60.2-150.3136.900117.4
354P49.1Very low34.3Very low101 Ų101126.9 Ų126.966%0.65677%0.765SS**  -143.2179.9-51.441.2-25.5000116
355S29.1Very low34.9Very low97 Ų97126.3 Ų126.368%0.67876%0.76SS**  trans72.3108.6139.672.30000123.4
356S32.6Very low35.1Very low93 Ų93127.4 Ų127.465%0.6576%0.762SS**  93.4145.6105810000123.8
357N31Very low35.3Very low127 Ų127130.3 Ų130.368%0.67976%0.755SS**  trans84.8104.2149.7-59.6-27.8000121.9
358N32.6Very low34.9Very low146 Ų146131.5 Ų131.578%0.78175%0.754SS**  48.9121.9122.8-44.1-17.9000120.6
359S35Very low35.2Very low112 Ų112131.1 Ų131.178%0.78375%0.752SS**  -172.517193.565.60000113.9
360D36Very low34.5Very low143 Ų143133 Ų13377%0.76575%0.751SS**  trans-47.9171.9172.8-45.9-96000115.1
361D33.3Very low34.8Very low150 Ų150132.8 Ų132.880%0.80274%0.744SS**  cis-156175.525.8-151.1-38.5000112.7
362C36Very low34.9Very low112 Ų112130.4 Ų130.476%0.75774%0.739SS**  trans-97.4-148.4173.3-57.60000109.4
363P47.8Very low35Very low127 Ų127130 Ų13083%0.82573%0.732SS**  cis-114.6-163.7-7.942.7-26.2000111.9
364G30.3Very low35Very low65 Ų65129.5 Ų129.567%0.6773%0.73SS**  cis130139.7-1100000115.4
365K36.9Very low34.1Very low180 Ų180131.5 Ų131.578%0.78373%0.734SS**  trans78.6128.1165.2-54.6-171.7172.3-154.50122.1
366S31Very low34.4Very low105 Ų105134.7 Ų134.773%0.73474%0.738SS**  163.6117.6113.461.10000108.9
367E35Very low34.3Very low138 Ų138135.1 Ų135.165%0.64574%0.741SS**  97.813452.5-74.7159147.700112.4
368D35.3Very low34.6Very low157 Ų157136.9 Ų136.984%0.8474%0.743SS**  trans69.9153.1156.8-54.6-14000122.1
369D34.5Very low34.4Very low142 Ų142135.4 Ų135.476%0.75974%0.735SS**  cis-169.1177.7-28.1-165.810.9000110.6
370E35.7Very low34.1Very low161 Ų161134.9 Ų134.975%0.75273%0.731SS**  trans74.8119157.8-58.8-162.8-130.400122.7
371H34.4Very low33.8Very low157 Ų157133.8 Ų133.873%0.72773%0.733SS**  150.8141.9107.3-163.6-85.3000115.9
372L32.9Very low33.5Very low129 Ų129133.8 Ų133.868%0.67573%0.733SS**  trans-42.3154.2177.4-61.6149.5000116.5
373D34.1Very low33.3Very low113 Ų113136.3 Ų136.360%0.60473%0.734SS**  -167144.859-115-29.4000114.7
374Q31.9Very low32.5Very low164 Ų164133.7 Ų133.777%0.76673%0.731SS**  68.1131.5110.5-111.2170.4100.600117.2
375I32Very low32.7Very low143 Ų143136.9 Ų136.973%0.73373%0.732SS**  cis-145.4156.127.7-70.3167.8000113.5
376Q34.1Very low32.9Very low164 Ų164136.5 Ų136.577%0.76673%0.731SS**  trans-32149.7166.8-57.7157.11700118.4
377S30.4Very low33Very low102 Ų102136.6 Ų136.671%0.71373%0.726SS**  -170.8134.178.1-66.30000110.8
378K36.8Very low32.8Very low164 Ų164136.7 Ų136.771%0.71373%0.731SS**  62.2134.782.7-78.4-176.2138.7-70.60114.8
379D29.1Very low32.7Very low115 Ų115134 Ų13462%0.61573%0.725SS**  cis-152.8151.811-100.5-41.6000114.6
380S29.6Very low32.4Very low101 Ų101134.6 Ų134.671%0.70673%0.728SS**  trans37.6128.9147.267.10000125.2
381C29.3Very low32.2Very low120 Ų120133.4 Ų133.481%0.81173%0.732SS**  175.4121.7108.7-89.20000110
382D27.5Very low32.6Very low151 Ų151132 Ų13281%0.80773%0.734SS**  77.3100.281.6-150.964.5000111
383E30.9Very low32.7Very low164 Ų164134.7 Ų134.777%0.76674%0.743SS**  114.9117.857.8174.772.9-165.600107.4
384G31.6Very low33.1Very low73 Ų73138.1 Ų138.175%0.75375%0.752SS**  trans172.760.8-172.400000121.6
385N34.8Very low33.2Very low131 Ų131138.7 Ų138.770%0.70176%0.755SS**  trans-8.2147.4142-96.7-48.9000118.5
386K39.5Very low32.9Very low173 Ų173138.1 Ų138.175%0.75275%0.749SS**  cis-179.3157.79.9-154.6179.5-177.3175.40113.5
387V33.7Very low32.7Very low107 Ų107136.1 Ų136.165%0.64875%0.751SS**  trans81.5127.4141.7115.60000122.1
388N31.2Very low32.7Very low139 Ų139137.5 Ų137.574%0.74375%0.749SS**  trans26.9146.4155.676.224.7000122.1
389S32.8Very low32.2Very low102 Ų102135.4 Ų135.471%0.71374%0.742SS**  cis-167.3-177.74050.90000113.3
390N28.6Very low32.7Very low153 Ų153134.7 Ų134.782%0.81874%0.742SS**  trans-29.5147.8175.9-40.1-20.7000115.9
391V31.5Very low33Very low137 Ų137138.5 Ų138.583%0.8375%0.748SS**  cis-136.3162.532.7156.20000112.1
392V41.6Very low33.1Very low128 Ų128138 Ų13878%0.77675%0.746SS**  trans-66.8130.3170.91700000111.6
393E35.7Very low33.3Very low184 Ų184135 Ų13586%0.8674%0.743SS**  trans-128.6175133.2-71-147.6105.100109.3
394K42.6Very low33.6Very low186 Ų186135.7 Ų135.781%0.80975%0.75SS**  trans-70.6-179155.3-52.8172.6-177.8170.30107.2
395E33.5Very low33.6Very low176 Ų176139.3 Ų139.382%0.82275%0.75SS**  cis-128.9-144.119.7-64.5179.7136.800108
396E25.8Very low33.2Very low130 Ų130138.9 Ų138.961%0.60776%0.756SS**  cis-168.1149.614.3-177-171.3-15900106.9
397P31Very low32.6Very low123 Ų123135 Ų13580%0.79975%0.751SS**SBendtrans-100.263.1169.438.7-32000112.4
398L29.5Very low32.4Very low131 Ų131137.4 Ų137.469%0.68676%0.76SS**SBendtrans70.9151.9179.8-43.9171.2000113.5
399E27.1Very low32.5Very low120 Ų120138.2 Ų138.256%0.56176%0.763SS**  cis-150.295.617.6-169.959.6-95.600113.4
400T39.5Very low33.1Very low99 Ų99138.6 Ų138.661%0.60776%0.763SS**  trans39.298147.360.10000121
401H34.8Very low34.2Very low182 Ų182135.5 Ų135.584%0.84375%0.751SS**  -164.9144.3125.643.8-74.9000115.5
402S32.4Very low33.9Very low108 Ų108137.7 Ų137.776%0.75575%0.753SS**  trans-34.2128.7174.149.60000116.5
403A30.8Very low33.4Very low90 Ų90138 Ų13874%0.74475%0.75SS**  83.3122.452.100000116.1
404I37.9Very low33.3Very low178 Ų178134.4 Ų134.491%0.91374%0.741SS**  trans-173.1159.8137.3-96.3156.5000109.6
405I31.5Very low32.8Very low149 Ų149130.7 Ų130.776%0.76473%0.734SS**  trans-126.4134.3-153.7-80.4172.5000113.6
406C26.6Very low32.8Very low121 Ų121130.8 Ų130.882%0.81873%0.732SS**  trans54.6174.6160.6-60.70000117.5
407S27.6Very low33Very low93 Ų93132.2 Ų132.265%0.6574%0.742SS**  cis-157.1148.41-157.10000109.6
408D29Very low33Very low156 Ų156130.4 Ų130.483%0.83474%0.737SS**  171.4155.6107.6-94.9-13.4000116.3
409L32.2Very low33Very low156 Ų156133.2 Ų133.282%0.81775%0.747SS**  trans-129.5176.9174.9-88.2167.9000106.8
410P45.3Very low33.3Very low110 Ų110134.4 Ų134.471%0.71476%0.757SS**  cis-125.7-125-24.630.3-5.4000107.2
411P51.7Low33.5Very low88 Ų88134.7 Ų134.757%0.57176%0.76SS**  cis-133.4170-32.235.1-16.3000116.3
412E27Very low33.2Very low183 Ų183133.5 Ų133.586%0.85576%0.759SS**  trans62.5154.5144-71.7169.9123.300119.3
413N30.3Very low33.1Very low134 Ų134132.8 Ų132.872%0.71776%0.759SS**  cis-151.41682256.340.5000115.8
414T32.7Very low33.1Very low110 Ų110137.3 Ų137.368%0.67577%0.765SS**  trans38.596.1145.548.40000123.7
415T32.8Very low33.3Very low108 Ų108135.1 Ų135.166%0.66376%0.763SS**  14.1126.2116.168.10000120.6
416K33.3Very low33.2Very low178 Ų178132 Ų13277%0.77476%0.759SS**  166.2126.9105.9-95149.8-172.2171.20116.7
417I30.7Very low33.6Very low159 Ų159134.3 Ų134.382%0.81576%0.762SS**  40.2117.6125.3-52.9174.6000119.1
418A30.5Very low33.8Very low85 Ų85139.3 Ų139.370%0.70278%0.775SS**  -173.2128.9116.300000114.2
419E30.1Very low34.1Very low190 Ų190140.7 Ų140.789%0.88878%0.777SS**  trans51.9108138.7-63.5172-173.600122.3
420D33.1Very low34.2Very low146 Ų146142.6 Ų142.678%0.78178%0.781SS**  trans-66152151.5174.446.1000110.7
421P43.8Very low33.7Very low104 Ų104142 Ų14268%0.67579%0.786SS**  -155.9151.810343.6-25.3000118.5
422I28.5Very low32.7Very low157 Ų157146.3 Ų146.381%0.80580%0.802SS**  trans72.7114155.4-26.5-171.8000119.7
423A30.1Very low32.8Very low93 Ų93143 Ų14377%0.76980%0.8SS**  -179.7159.2122.100000113.3
424E31.8Very low32.9Very low185 Ų185141.7 Ų141.786%0.86480%0.801SS**  trans-72.6162.8162-63.4178.3121.300110.4
425P40.7Very low33Very low133 Ų133141.1 Ų141.186%0.86480%0.802SS**  -135.3159.3108.838.1-30.6000114.1
426A29.9Very low32.9Very low83 Ų83143.9 Ų143.969%0.68681%0.809SS**  trans-118.7140.6168.300000109.8
427L34.5Very low33.1Very low169 Ų169144.2 Ų144.289%0.88581%0.813SS**  trans41.3113.4155-52.9177.5000118.7
428E32.3Very low33.3Very low198 Ų198142.9 Ų142.993%0.92581%0.812SS**  -155.2148.3115.2-119.2167176.200111.1
429E34.7Very low33.4Very low185 Ų185144.4 Ų144.486%0.86481%0.808SS**  trans-110136.9166.5-65.8-179.2112.900107.1
430E35.8Very low33.8Very low196 Ų196143.3 Ų143.392%0.91680%0.803SS**  173.8178.3128.7-99-172.7-17400111.9
431A34.4Very low33.6Very low99 Ų99140.8 Ų140.882%0.81880%0.797SS**  trans63.490.117100000117.7
432I29.4Very low33.2Very low177 Ų177143.2 Ų143.291%0.90880%0.799SS**  trans-110.7112150.442.3164.9000110.5
433S30.6Very low33.5Very low115 Ų115143.7 Ų143.780%0.80480%0.796SS**  trans-158.1124.3157.9-166.10000110.8
434S31Very low33.5Very low106 Ų106146.1 Ų146.174%0.74180%0.796SS**  trans47.7135.4141.1-144.20000120.6
435S36.2Very low33.5Very low98 Ų98144.4 Ų144.469%0.68579%0.788SS**  cis-166.4179.7-8.9-97.80000109.4
436M30.8Very low33Very low166 Ų166146 Ų14682%0.81878%0.784SS**  trans-0.3141.1156.3-49.6178.563.100118.1
437E36.6Very low33.3Very low184 Ų184151.2 Ų151.286%0.8679%0.791SS**  -157.1-169.156.4-85.7-164.296.200113.9
438V34.3Very low33Very low131 Ų131147.7 Ų147.779%0.79478%0.78SS**  trans-150.9155.7-171.188.30000108.2
439D33Very low34Very low117 Ų117143.8 Ų143.863%0.62677%0.772SS**  cis-155170.713.5-169.216.6000111
440Q37.5Very low33.8Very low167 Ų167139.1 Ų139.178%0.7877%0.765SS**  trans68.5153.7157.7-88.316883.400118
441S30.8Very low33.3Very low93 Ų93138.4 Ų138.465%0.6576%0.762SS**  cis-152172.9453.70000112.5
442E34.6Very low34.1Very low155 Ų155138.2 Ų138.272%0.72475%0.752SS**  trans23.9140.4148.1-60.8-160.411000121.3
443K34.2Very low34Very low168 Ų168136.3 Ų136.373%0.7375%0.748SS**  cis-161.5171.127-139.4179.2-164.875.20112.7
444D30.6Very low33.8Very low144 Ų144135 Ų13577%0.7775%0.745SS**  trans-80.1168.7177.4-157.2-8.6000113.5
445E30.9Very low33.8Very low148 Ų148134.5 Ų134.569%0.69275%0.746SS**  trans62.5134.4172-77.4-154.196.200117.5
446H30.2Very low33.6Very low168 Ų168135.9 Ų135.978%0.77875%0.75SS**  cis-147.1175.635-79.6-65.3000114.6
447K37.9Very low33.6Very low192 Ų192133.1 Ų133.184%0.83575%0.747SS**  trans-93.6126.5-173173.9171.6-179.2170.80114
448S27.6Very low33Very low94 Ų94134 Ų13466%0.65775%0.751SS**  trans26.5146.3145.774.20000120.8
449P54Low32.8Very low117 Ų117134.7 Ų134.776%0.7675%0.751SS**  cis-155.5176.641.743.5-22.6000119.9
450A28.7Very low33.4Very low87 Ų87134.4 Ų134.472%0.71976%0.755SS**  trans69.9107.1146.700000121.5
451E26.9Very low33.1Very low181 Ų181129.8 Ų129.885%0.84675%0.746SS**  40153118.4-76.6-156.6109.200122.8
452P50.7Low33.4Very low95 Ų95133.3 Ų133.362%0.61775%0.752SS**  cis-140.2173.1-35.737.2-20000113.1
453V26.1Very low33.1Very low137 Ų137132.8 Ų132.883%0.8375%0.75SS**  155.2153.5125.4-70.70000114.4
454A26.8Very low32.9Very low88 Ų88131 Ų13173%0.72775%0.748SS**  trans66.294.4148.100000121.5
455A31.2Very low33.3Very low94 Ų94129.6 Ų129.678%0.77774%0.735SS**  50.6139.6103.900000123.1
456V31.9Very low33.4Very low127 Ų127130.8 Ų130.877%0.7774%0.741SS**  trans78.3105147.1170.80000119.3
457S30.1Very low33.4Very low108 Ų108129.9 Ų129.976%0.75574%0.741SS**  57.6160.2125.1-47.30000124.7
458E25.4Very low33.1Very low202 Ų202126.9 Ų126.994%0.94474%0.74SS**  trans99145.3158.7-56.9-166.5131.200118.7
459D29.1Very low33.6Very low146 Ų146128.8 Ų128.878%0.78175%0.747SS**  trans-95.1159.7-166.4-177.345.5000110.9
460P45.2Very low32.9Very low111 Ų111129.4 Ų129.472%0.72175%0.748SS**  -152.6152.799.938.5-20.6000117.6
461A32.8Very low33Very low70 Ų70132 Ų13258%0.57975%0.75SS**  24.1150.9128.300000121.3
462E37.1Very low33.2Very low167 Ų167129.4 Ų129.478%0.7874%0.742SS**  -169.8167.861.7-95.3-62.5-178.400114.1
463E27.7Very low32.7Very low145 Ų145131.6 Ų131.668%0.67875%0.754SS**  trans46.8131.2162.5-63.8-167103.100121.1K465E463-K465 IonicContact OE1-NZ 2.67Å; E463-K465 PolarHBondContact OE1-NZ 2.8Å
464D30.4Very low33.1Very low129 Ų129131.4 Ų131.469%0.6975%0.748SS**  cis101.1147.426.2-177.447000114.9
465K37.8Very low33.8Very low116 Ų116132.5 Ų132.550%0.50475%0.751SS.*  trans88.8142.6177.6-61.6156.6-150.361.80117.7E463E463-K465 IonicContact OE1-NZ 2.67Å; E463-K465 PolarHBondContact OE1-NZ 2.8Å
466E33.8Very low33.8Very low172 Ų172135.6 Ų135.680%0.80475%0.751SS**  cis-161.5176.9-12.852.5-153.7161.500112.4
467D31.1Very low34.6Very low149 Ų149138.2 Ų138.280%0.79776%0.755SS**  trans-76173.7-157.9-67.7-84.9000120.3
468T29.8Very low35Very low130 Ų130139.6 Ų139.680%0.79876%0.759SS**  trans87.1114.7158.372.10000117
469V39.6Very low36.2Very low134 Ų134137.6 Ų137.681%0.81276%0.755SS**  -156.2141.365.4149.70000113.6
470V38.2Very low37.6Very low129 Ų129139.3 Ų139.378%0.78276%0.758SS**  trans-56.6155.6167.4-84.50000115.1
471D30.5Very low37.7Very low141 Ų141142 Ų14275%0.75476%0.764SS**  cis-154.6174.8-6.9-172.7-159.6000108.9
472N31.7Very low38.2Very low128 Ų128144.7 Ų144.768%0.68477%0.768SS**  trans-83.3162.1-166.9-56.9-89.6000114.6
473T39.9Very low38.9Very low141 Ų141142 Ų14287%0.86577%0.765SS**  170.5138.8129.728.10000110.8
474D35.1Very low39.6Very low132 Ų132141 Ų14171%0.70676%0.763SS**  cis-157.7131.1-32.5-164.9-15.1000106.8M476D474-M476 WeakPolarHBondContact OD1-CG 3.23Å
475S40.5Very low40.1Very low112 Ų112142.9 Ų142.978%0.78377%0.772SS**  trans-16650.2-177.5-177.10000111.7
476M32.8Very low40.6Very low159 Ų159145.3 Ų145.378%0.78379%0.785SS**  trans-98.4109.7-171.3-41.2-43.3-68.600112.5D474D474-M476 WeakPolarHBondContact OD1-CG 3.23Å
477E47.2Very low40.9Very low181 Ų181145.6 Ų145.685%0.84678%0.784SS**  trans-70.7135.3158.9173-172.715900110
478T39.6Very low41.2Very low137 Ų137145.7 Ų145.784%0.8478%0.784SS**  trans-176.1137.8141.912.50000111
479D49.5Very low41.4Very low161 Ų161144 Ų14486%0.86178%0.782SS**  trans-87.7-178.8170-105.7-52000111.6
480E58.7Low41.4Very low182 Ų182142.6 Ų142.685%0.8578%0.776SS**  trans74.463.2171.1-57.3-164.6-17000118.5
481I46.7Very low41.4Very low166 Ų166141.7 Ų141.785%0.85177%0.771SS**SBendtrans-113.686.6144.2-55.6-176.9000110.5
482I44.3Very low41.7Very low127 Ų127143.1 Ų143.165%0.65177%0.773SS**  trans47.1117153.5-52.6-179.5000117.6I484I482-I484 HydrophobicContact CG2-CD1 4.4Å; I482-I484 HydrophobicContact CG2-CG1 4.05Å; I482-I484 PolarHBondContact O-N 2.83Å
483P52.4Low41.7Very low112 Ų112144.2 Ų144.273%0.72778%0.779SS**  trans-74.798.5-178.130.9-35.5000113.1
484I42.2Very low41.7Very low123 Ų123144.3 Ų144.363%0.63177%0.77SS**  trans-107.2-22173.1-49.5-178.4000111.9I482 E486I482-I484 HydrophobicContact CG2-CD1 4.4Å; I482-I484 HydrophobicContact CG2-CG1 4.05Å; I482-I484 PolarHBondContact O-N 2.83Å; I484-E486 PolarHBondContact O-N 3.31Å
485L40.4Very low41.7Very low168 Ų168144.7 Ų144.788%0.8877%0.771SS**G310 helixtrans-75.6-19.6-175.2-62.5178.4000114.4K487L485-K487 PolarHBondContact O-N 3.36Å
486E47.4Very low41.4Very low168 Ų168144.4 Ų144.479%0.78577%0.769SS**G310 helixtrans-69.4-10.2178.3-153-167.2159.100113.4I484I484-E486 PolarHBondContact O-N 3.31Å
487K42Very low41.3Very low178 Ų178142.5 Ų142.577%0.77477%0.77SS**G310 helixtrans-99.1-1.8-176.2-70.9-60.4-174.1-1650115.7L485L485-K487 PolarHBondContact O-N 3.36Å
488L36.6Very low40.5Very low151 Ų151143.8 Ų143.879%0.79177%0.773SS**  trans-127.648.8-176.5-68.4177.2000113.4P490L488-P490 VanDerWaalsContact C-CD 3.45Å; L488-P490 WeakPolarHBondContact O-CD 3.35Å
489A33.9Very low40.1Very low93 Ų93142.5 Ų142.577%0.76977%0.77SS**  trans-11381.6161.400000111.1
490P40Very low39.2Very low105 Ų105144.2 Ų144.268%0.68277%0.769SS**  trans-67.7136.4161.9-12.929.2000110.7L488L488-P490 VanDerWaalsContact C-CD 3.45Å; L488-P490 WeakPolarHBondContact O-CD 3.35Å
491T37.6Very low37.8Very low110 Ų110140 Ų14068%0.67577%0.766SS**  trans2.5119.3141.652.60000117.8
492E36.9Very low36.9Very low171 Ų171136 Ų13680%0.79975%0.752SS**  trans38.4126.7139.374.8-141.2132.100122.4
493D32Very low36.4Very low151 Ų151134 Ų13481%0.80774%0.743SS**  trans99.7150132.9-128.90.2000122.6
494E39.7Very low35.5Very low144 Ų144132.4 Ų132.467%0.67373%0.727SS**  trans45.2114.6161-65.6-132.4121.500124.1
495L35.9Very low35.4Very low140 Ų140130 Ų13073%0.73372%0.72SS**  84.1130.4123.6-67.6176.9000123.8
496S33.4Very low34.9Very low105 Ų105128 Ų12873%0.73471%0.714SS**  trans65.8110.9134.9-1580000120.7
497C30.1Very low34.1Very low119 Ų119128.7 Ų128.780%0.80472%0.718SS**  trans-70.1127.3157-51.40000110.6
498F31.1Very low33.6Very low209 Ų209125.7 Ų125.792%0.91772%0.715SS**  trans-161.3167134.9-101.2-60.4000111.4
499S31.7Very low33.3Very low110 Ų110123.3 Ų123.377%0.76971%0.71SS**  trans-93.4158.8-159.1-50.90000115
500K30.1Very low33.1Very low197 Ų197127.2 Ų127.286%0.85771%0.713SS**  trans87.797.2140.2-155.9175.7-173.7179.70118.2
501A28.9Very low32.5Very low94 Ų94128.5 Ų128.578%0.77771%0.714SS**  trans26.9129131.400000120.9
502S28.5Very low32.2Very low81 Ų81130.1 Ų130.157%0.56672%0.717SS**  12566.2118.2-154.90000122
503L33.5Very low31.9Very low86 Ų86129.4 Ų129.445%0.4571%0.714SS.*  77.277105.5-57149.5000123.9A231 S232 H233A231-L503 VanDerWaalsContact CB-CA 3.44Å; A231-L503 HydrophobicContact CB-CB 4.11Å; A231-L503 HydrophobicContact CB-CD2 3.84Å; A231-L503 HydrophobicContact CB-CG 4.18Å; S232-L503 PolarHBondContact OG-O 3.29Å; H233-L503 VanDerWaalsContact N-CB 3.34Å; H233-L503 PolarHBondContact N-O 2.92Å; H233-L503 WeakPolarHBondContact O-CD1 3.33Å
504L33.9Very low32Very low77 Ų77127.8 Ų127.840%0.40371%0.705SS.*  trans129.4-167.8140.3-70.9-165.1000122.8A230 A231 S232A230-L504 HydrophobicContact CB-CD1 4.28Å; A231-L504 HydrophobicContact CB-CB 4.05Å; A231-L504 HydrophobicContact CB-CD1 4.35Å; A231-L504 HydrophobicContact CB-CG 3.77Å; S232-L504 VanDerWaalsContact OG-CA 3.31Å; S232-L504 WeakPolarHBondContact OG-CA 3.43Å; S232-L504 WeakPolarHBondContact OG-CB 3.38Å
505P40Very low31.7Very low74 Ų74128.8 Ų128.848%0.48171%0.708SS.*  -129177-120.937.5-21.8000120.1
506V29.1Very low31.7Very low125 Ų125129.8 Ų129.876%0.75871%0.71SS**  trans95.6107.4162.3-173.40000116
507E32.2Very low31.7Very low182 Ų182132.7 Ų132.785%0.8571%0.713SS**  trans-90.2135.3155.3-177.9-170.9-131.900109.6
508T31.4Very low31.7Very low116 Ų116130.3 Ų130.371%0.71271%0.708SS**  trans-169.4104.5143.470000114.6
509S30.3Very low31.6Very low100 Ų100124.6 Ų124.670%0.69969%0.694SS**  trans64.4153135.466.70000123.8
510Q29.9Very low31.6Very low176 Ų176129.2 Ų129.282%0.82270%0.701SS**  trans83.490.3154.7-143.3160.36.700116
511D25.8Very low31.5Very low132 Ų132123.4 Ų123.471%0.70670%0.696SS**  82.4106.377.2179.238.2000113.5
512L32.9Very low31.7Very low143 Ų143124.6 Ų124.675%0.74970%0.699SS**  trans-172.1119.6142.2-121.987.6000112.6
513E30.3Very low32.9Very low156 Ų156126.4 Ų126.473%0.72971%0.709SS**  trans40.8126.2145.9-8.8-173.7151.800124.7
514D32.6Very low32.8Very low117 Ų117126.9 Ų126.963%0.62672%0.719SS**  91.9127.2117.2-96.49.1000125.6
515K35.1Very low32.9Very low166 Ų166131 Ų13172%0.72273%0.734SS**  trans73.4140154.6-58.7174.8-17077.90116.3
516M35.8Very low32.5Very low160 Ų160131.9 Ų131.979%0.78873%0.732SS**  cis-15316711.5-176.2156-84.300112.1
517E33.6Very low32.6Very low167 Ų167130.9 Ų130.978%0.7872%0.719SS**  trans-17.9147.5156.2-113.267.9-163.800117.7
518G28.8Very low33Very low69 Ų69127.1 Ų127.171%0.71171%0.712SS**  cis139.7-174.7-0.900000113.5
519S29.7Very low32.9Very low88 Ų88126.6 Ų126.662%0.61571%0.714SS**  trans73110.7163.9-68.70000121.8
520F31Very low33.2Very low208 Ų208129.5 Ų129.591%0.91272%0.716SS**  trans59.2146.6147.2-41.4-58000120
521G28Very low33.3Very low74 Ų74127.4 Ų127.476%0.76371%0.711SS**  cis178.9158.6-4.200000111.4
522S33.9Very low34.1Very low120 Ų120129 Ų12984%0.83972%0.718SS**  trans-88.6177.3176.8-32.60000111.6
523P53.8Low34.9Very low119 Ų119127.4 Ų127.477%0.77372%0.716SS**  cis-139.4-170.3-3.540.9-22000115.3
524S30.8Very low35.3Very low95 Ų95128 Ų12866%0.66472%0.716SS**  trans81114.8136.7179.60000122.4
525K35.7Very low35.4Very low163 Ų163128.3 Ų128.371%0.70971%0.714SS**  trans75.1131.6136.5-81-174.3159.8-141.30122.7
526Q30.9Very low35.7Very low93 Ų93125 Ų12544%0.43572%0.718SS.*  trans83.7133.6130.8-75.5-177.8-14400122.8A255 A256 S257A255-Q526 WeakPolarHBondContact O-CA 3.43Å; A256-Q526 WeakPolarHBondContact O-CG 3.22Å; A256-Q526 PolarHBondContact O-NE2 3.42Å; S257-Q526 PolarHBondContact OG-NE2 3.01Å
527E31.2Very low35.8Very low104 Ų104124.3 Ų124.349%0.48671%0.711SS.*  trans65.2155.9148.1-134167.1-145.800122.3A255 S257A255-E527 PolarHBondContact O-N 3.28Å; S257-E527 WeakPolarHBondContact CB-OE1 3.33Å; S257-E527 WeakPolarHBondContact CB-OE2 3.45Å; S257-E527 PolarHBondContact N-OE1 2.93Å
528S40.8Very low36Very low103 Ų103122.7 Ų122.772%0.7271%0.707SS**  trans-72.3151.7-172.957.10000114.9
529S30.5Very low36.6Very low106 Ų106125.5 Ų125.574%0.74171%0.71SS**  -159.3135.1122.860.50000111.9
530E36.2Very low36.8Very low160 Ų160128 Ų12875%0.74872%0.716SS**  trans46.6119.9134.2-140.4-173.9132.100120.5
531N32.6Very low37.4Very low133 Ų133122.8 Ų122.871%0.71171%0.705SS**  172.5111.4104.6-89.5122000111.1
532L41.8Very low37.8Very low165 Ų165126.3 Ų126.386%0.86471%0.707SS**  trans-72.2158.2157.9-68.4173000109.3
533P48.9Very low38.2Very low109 Ų109128.2 Ų128.271%0.70870%0.702SS**  -146.6144.2105.834.9-18.9000117.1
534K40.2Very low37.5Very low168 Ų168130.6 Ų130.673%0.7370%0.703SS**  trans83127.8134.7-75.9167.7164.1-105.60122.7
535E35.1Very low37.7Very low124 Ų124132.2 Ų132.258%0.57970%0.704SS**  trans83.866131.7-69.3165.5-135.300119.3F537E535-F537 HydrophobicContact CB-CE2 4.07Å; E535-F537 HydrophobicContact CB-CZ 3.98Å; E535-F537 HydrophobicContact CG-CE1 4.45Å; E535-F537 HydrophobicContact CG-CZ 3.96Å
536A40Very low37.5Very low97 Ų97131.4 Ų131.480%0.80271%0.707SS**SBendtrans-128.377.8131.500000111.1
537F38.8Very low37.4Very low145 Ų145132.5 Ų132.564%0.63673%0.725SS**  trans22.6109.6149.9-51.5-80.1000118.2E535E535-F537 HydrophobicContact CB-CE2 4.07Å; E535-F537 HydrophobicContact CB-CZ 3.98Å; E535-F537 HydrophobicContact CG-CE1 4.45Å; E535-F537 HydrophobicContact CG-CZ 3.96Å
538L37.2Very low37.2Very low133 Ų133133.9 Ų133.970%0.69674%0.744SS**  62108.589.3-72.9153000111.2
539V40.6Very low36.5Very low128 Ų128132.8 Ų132.878%0.77675%0.749SS**  cis48.791.342.1-172.30000111.9
540L34.6Very low36.5Very low141 Ų141136.2 Ų136.274%0.73875%0.751SS**  trans-129.2124.9143.9-72.6177.2000107.1
541S43.6Very low36Very low98 Ų98134.3 Ų134.369%0.68575%0.745SS**  trans-70.8142.9145.7-55.50000106.7
542D36.1Very low35.8Very low149 Ų149136.5 Ų136.580%0.79775%0.752SS**  trans-122.1106.3156.1-75.8-44.9000107.5
543E43.8Very low35.5Very low160 Ų160133.7 Ų133.775%0.74875%0.745SS**  trans-55.1161.5139.553.8-147104.600108.9
544E37.8Very low34.5Very low168 Ų168137.1 Ų137.179%0.78575%0.752SS**  -173.8163.551.954.9-163.5105.200112
545D34.3Very low34Very low130 Ų130133 Ų13370%0.69575%0.749SS**  trans44117.6148.5-79.51000125.1
546L32.4Very low33.7Very low146 Ų146133.8 Ų133.876%0.76476%0.762SS**  56.1121.9120.8-57.4174.5000122.1
547S29.4Very low33.3Very low116 Ų116132.7 Ų132.781%0.81175%0.753SS**  trans104.2134.6131.6830000121.7
548C26.2Very low32.8Very low133 Ų133134.7 Ų134.790%0.89977%0.765SS**  trans15.4108.7152.7-158.90000120
549G26.8Very low32.3Very low79 Ų79132.1 Ų132.181%0.81476%0.758SS**  trans-151.474.5178.300000115.6
550K30.3Very low31.7Very low178 Ų178135.6 Ų135.677%0.77476%0.762SS**  trans-33.1149.3161.5162.7-173.4170.2-173.60117.7
551D25.3Very low31.3Very low120 Ų120136.7 Ų136.764%0.64277%0.766SS**  trans64.7162.2164.2-77.6-34.3000116
552E28.9Very low30.4Very low180 Ų180135.9 Ų135.984%0.84176%0.76SS**  cis-150.5175.2-5.333.1-158.9121.500111.9
553S35.7Very low30Very low105 Ų105135 Ų13573%0.73476%0.761SS**  trans-79.1161.3-169.457.30000117.4
554E28.4Very low30.5Very low181 Ų181133 Ų13385%0.84676%0.761SS**  -166.7150.2111.7-119.9-162.5113.800116
555A29Very low29.9Very low81 Ų81134.3 Ų134.367%0.66977%0.767SS**  trans50.6154.7144.800000122
556V28.6Very low29.7Very low141 Ų141131.2 Ų131.286%0.85577%0.767SS**  cis-170.4155.8-14.4128.90000106.9
557A31.9Very low29.6Very low74 Ų74132.1 Ų132.161%0.61277%0.767SS**  cis-174.8172.9-35.100000109.3
558Q28Very low29.8Very low187 Ų187133.9 Ų133.987%0.87476%0.76SS**  trans76.6157.8166.7-48.8179.819.400118.9
559S26Very low29.9Very low80 Ų80132.3 Ų132.356%0.55975%0.751SS**  cis-172.7147.1-40.471.30000113
560K29.2Very low30.3Very low200 Ų200135.5 Ų135.587%0.8774%0.744SS**  trans65.9163.9156.8-59.3161.1-176.6171.90118.8
561M25.9Very low30.4Very low164 Ų164134.6 Ų134.681%0.80874%0.74SS**  cis177.3142.5-3817652.2177.200109.5
562S24.2Very low30.6Very low81 Ų81136.1 Ų136.157%0.56675%0.748SS**  trans62.2112.8156.161.30000125
563T27.7Very low30.7Very low132 Ų132130.9 Ų130.981%0.8174%0.743SS**  37.3168.5113.264.90000123.3
564P55Low30.4Very low116 Ų116133.8 Ų133.875%0.75374%0.742SS**  cis-140-151.3-0.238.7-14.4000116.1
565E25.7Very low30.6Very low196 Ų196128.8 Ų128.892%0.91673%0.732SS**  trans89.1146.4170-54.7-154.4125.200118.6
566G30Very low30.7Very low66 Ų66131 Ų13168%0.6873%0.728SS**  cis175.9-173.2-5.900000115
567E29.7Very low30.7Very low165 Ų165132.7 Ų132.777%0.77173%0.727SS**  trans94.5140.4156.2-50.2-105.2106.400123.3
568K32.9Very low30.7Very low152 Ų152137.2 Ų137.266%0.66174%0.735SS**  trans-71.5-171.6-175.760.3-103.81691760115.8
569S29.6Very low30.7Very low101 Ų101133.7 Ų133.771%0.70672%0.719SS**  cis-175.3179.428.99.80000108.7
570E34.5Very low30.8Very low145 Ų145139 Ų13968%0.67873%0.727SS**  cis-174.5166.7-15.3-178.4-170.4117.500107.8
571K32.6Very low30.6Very low159 Ų159136 Ų13669%0.69173%0.725SS**  trans82.1117.9150.9-124.5164.4-161.5118.80119.3
572D30.1Very low31Very low153 Ų153133.6 Ų133.682%0.81872%0.722SS**  76.5140.351.6-60-55.5000115.4
573G30.9Very low31.1Very low70 Ų70134 Ų13472%0.72273%0.73SS**  cis145.2127.4-7.700000115.4
574K28.3Very low31.1Very low166 Ų166136.7 Ų136.772%0.72273%0.733SS**  trans-178.8139.4156.3-99.4-135.7158.8-152.70109.5E576K574-E576 WeakPolarHBondContact CE-OE1 3.41Å; K574-E576 IonicContact NZ-OE1 3.48Å; K574-E576 PolarHBondContact NZ-OE1 3.29Å; K574-E576 IonicContact NZ-OE2 2.67Å; K574-E576 PolarHBondContact NZ-OE2 3.18Å
575A33.3Very low29.9Very low76 Ų76138.8 Ų138.863%0.62873%0.733SS**  cis85151.730.300000114.2
576E29.9Very low30Very low126 Ų126137.2 Ų137.259%0.58973%0.725SS**  cis-101.6-144.30.8-84.179.8178.600111K574K574-E576 WeakPolarHBondContact CE-OE1 3.41Å; K574-E576 IonicContact NZ-OE1 3.48Å; K574-E576 PolarHBondContact NZ-OE1 3.29Å; K574-E576 IonicContact NZ-OE2 2.67Å; K574-E576 PolarHBondContact NZ-OE2 3.18Å
577E29.2Very low30.6Very low178 Ų178139.4 Ų139.483%0.83273%0.728SS**  cis-154.8-1133.5-153.6147-105.500114.2
578E31.7Very low31.6Very low168 Ų168136.5 Ų136.579%0.78572%0.723SS**  trans-142.7175.4-158.6-81.2-169.7147.200113.4
579E29Very low31.8Very low114 Ų114135.5 Ų135.553%0.53373%0.729SS.*  cis-170153.2-27.9171170.7-142.600110.1
580R26.6Very low31.8Very low191 Ų191142 Ų14272%0.72174%0.739SS**  trans62.6103.1164.1-78.9165.4-157.5125.714.1121.3
581V25.4Very low31.8Very low137 Ų137142.5 Ų142.583%0.8375%0.746SS**  30.7122.9111.6-177.80000116.8
582P34.8Very low31.8Very low114 Ų114143 Ų14374%0.7475%0.75SS**  -147.7158.158.240.9-22.7000120
583A26.7Very low31.9Very low89 Ų89144.1 Ų144.174%0.73675%0.748SS**  trans56.1144.5140.700000123.9
584E27.5Very low32.4Very low188 Ų188145.4 Ų145.488%0.87975%0.746SS**  trans78.3132.7165.7-54-84.17700118.8
585E29.8Very low32.8Very low160 Ų160148.3 Ų148.375%0.74875%0.752SS**  trans43.9119.8167.3-73.2-160.279.300124.2
586Q27.6Very low33.2Very low163 Ų163156.4 Ų156.476%0.76277%0.767SS**  trans68.1169.9150.8-63.2-166.743.100118.9
587P42.5Very low34Very low113 Ų113159.6 Ų159.673%0.73478%0.779SS**  cis-117.3-100.3-2919.93.8000115.5
588P50.4Low34.8Very low104 Ų104162.9 Ų162.968%0.67578%0.784SS**  trans-138.4177-132.546.2-25.9000119.3
589V37.1Very low35.6Very low130 Ų130160 Ų16079%0.78878%0.782SS**  trans51.5112.4162.1-151.60000120.5
590R29.8Very low36.3Very low239 Ų239162.2 Ų162.290%0.90279%0.79SS**  172.3165.2118.5-96.9-179.9-179.6171.12.1113.7
591N34.8Very low37.6Very low154 Ų154158.2 Ų158.282%0.82479%0.791SS**  trans-62.8139.5166.2-64.7-12000110.8
592E32.6Very low38.8Very low169 Ų169157.8 Ų157.879%0.7978%0.78SS**  179.9162.9103.7-92.4-148.3132.500114.6
593F32.5Very low39.5Very low178 Ų178158.3 Ų158.378%0.78178%0.777SS**  trans-29.3127.5-178.8-67.8-86.3000122
594S40.3Very low41Very low96 Ų96160.9 Ų160.967%0.67178%0.775SS**  69.8133.7116.4-1650000121.2
595R36.8Very low42.3Very low227 Ų227159.8 Ų159.886%0.85778%0.775SS**  173.1121.9112.2-90.6158.7-159.4-115.64.2113.8
596R41.8Very low43Very low246 Ų246156.4 Ų156.493%0.92877%0.77SS**  trans-150.9117.1131.9-168.1153.5-71.9171.4-0.9111.3
597K47.5Very low43.7Very low194 Ų194154.3 Ų154.384%0.84377%0.767SS**  trans-77.4139.4173.1-67.4-93.3-171.5176.20109.7
598R46.3Very low44Very low247 Ų247158.4 Ų158.493%0.93278%0.777SS**  trans-134.1125.9139.6-173.1176.1179.795.70.3108
599S47.9Very low44.2Very low108 Ų108157.8 Ų157.876%0.75578%0.775SS**  trans-84.6133.9-178.9-25.90000110.5
600K44.5Very low44.4Very low160 Ų160161.2 Ų161.270%0.69678%0.779SS**  -153.8128.1124.9-151.8-172.6176-151.50109.6E602K600-E602 WeakPolarHBondContact CD-OE2 3.39Å; K600-E602 WeakPolarHBondContact CE-OE2 3.41Å; K600-E602 IonicContact NZ-OE1 2.87Å; K600-E602 PolarHBondContact NZ-OE1 3.01Å; K600-E602 IonicContact NZ-OE2 3.61Å; K600-E602 PolarHBondContact NZ-OE2 3.13Å
601S54Low45.3Very low106 Ų106161.3 Ų161.374%0.74178%0.78SS**  trans-85.4131.5160.547.50000108.3
602E49.1Very low45.6Very low128 Ų128165.1 Ų165.160%0.59878%0.782SS**  trans-121.286.4156.6-139.190.8-141.600106K600 M604K600-E602 WeakPolarHBondContact CD-OE2 3.39Å; K600-E602 WeakPolarHBondContact CE-OE2 3.41Å; K600-E602 IonicContact NZ-OE1 2.87Å; K600-E602 PolarHBondContact NZ-OE1 3.01Å; K600-E602 IonicContact NZ-OE2 3.61Å; K600-E602 PolarHBondContact NZ-OE2 3.13Å; E602-M604 HydrophobicContact CG-CG 4.27Å; E602-M604 PolarHBondContact O-N 2.87Å
603D50.2Low46.4Very low126 Ų126166.9 Ų166.967%0.67478%0.782SS**  trans-64.6122.6155.6159.329.9000107D605D603-D605 PolarHBondContact OD1-N 3.19Å
604M57.3Low47Very low142 Ų142163.3 Ų163.370%0.776%0.764SS**  trans-147.771.7167.1-75-63.5150.600108.4E602 S606E602-M604 HydrophobicContact CG-CG 4.27Å; E602-M604 PolarHBondContact O-N 2.87Å; M604-S606 VanDerWaalsContact C-N 3.29Å; M604-S606 PolarHBondContact O-N 3.08Å
605D55.3Low47.4Very low166 Ų166163.2 Ų163.289%0.88875%0.754SS**  trans-56.698.2152.1-97-30.9000108.4D603D603-D605 PolarHBondContact OD1-N 3.19Å
606S45.4Very low48.3Very low89 Ų89158.8 Ų158.862%0.62275%0.747SS**  trans-148.380.8-174.6-160.40000112.9M604M604-S606 VanDerWaalsContact C-N 3.29Å; M604-S606 PolarHBondContact O-N 3.08Å
607V41Very low48.8Very low118 Ų118153.6 Ų153.672%0.71573%0.734SS**  trans63.4113.8147.1-170.10000117.6S609V607-S609 PolarHBondContact O-N 2.86Å
608E50Low49.3Very low199 Ų199149.1 Ų149.193%0.9372%0.716SS**  trans-55.4100.6159.2-60.4179121.800110.9
609S53Low49.9Very low91 Ų91144.1 Ų144.164%0.63670%0.698SS**  trans-156.355.6178.5-89.90000114.9V607V607-S609 PolarHBondContact O-N 2.86Å
610K42.5Very low50.7Low203 Ų203143.8 Ų143.888%0.88368%0.684SS**  -168.6116.9128.6-102.7144.2-166.6165.60113.9R612K610-R612 VanDerWaalsContact C-N 3.27Å; K610-R612 PolarHBondContact O-N 3.23Å
611R48.1Very low51.7Low241 Ų241138.4 Ų138.491%0.90967%0.67SS**  trans-43.382.4150.4-172.9-171.1-157.31737.5111.6R613R611-R613 PolarHBondContact O-N 3.48Å
612R40.9Very low52.1Low234 Ų234138.7 Ų138.788%0.88366%0.66SS**  trans-65.5127148.8-82.9-171.2179.8-1002.8105.7K610 Y614K610-R612 VanDerWaalsContact C-N 3.27Å; K610-R612 PolarHBondContact O-N 3.23Å; R612-Y614 PolarHBondContact O-N 3.15Å; R612-Y614 VanDerWaalsContact O-N 3.16Å
613R50.4Low52.6Low205 Ų205138.1 Ų138.177%0.77466%0.655SS**  trans-68.7105.5153.9-68.6-177.3-69.2-153.81.4104.9R611R611-R613 PolarHBondContact O-N 3.48Å
614Y44.4Very low53.2Low104 Ų104137.2 Ų137.241%0.40865%0.647SS.*  trans-59.9132.6154.6-169.9-81.1000105.3R612 E618 Y619 E622R612-Y614 PolarHBondContact O-N 3.15Å; R612-Y614 VanDerWaalsContact O-N 3.16Å; Y614-E618 HydrophobicContact CD1-CB 4.24Å; Y614-E618 HydrophobicContact CE1-CB 3.63Å; Y614-Y619 AromaticContact CD1-CD2 3.44Å; Y614-Y619 HydrophobicContact CD1-CD2 3.44Å; Y614-Y619 VanDerWaalsContact CD1-CD2 3.44Å; Y614-Y619 AromaticContact CD1-CE2 3.38Å; Y614-Y619 HydrophobicContact CD1-CE2 3.38Å; Y614-Y619 HydrophobicContact CD1-CG 4.26Å; Y614-Y619 HydrophobicContact CE1-CD1 4.13Å; Y614-Y619 AromaticContact CE1-CD2 3.34Å; Y614-Y619 HydrophobicContact CE1-CD2 3.34Å; Y614-Y619 HydrophobicContact CE1-CE1 4.16Å; Y614-Y619 AromaticContact CE1-CE2 3.39Å; Y614-Y619 HydrophobicContact CE1-CE2 3.39Å; Y614-Y619 AromaticContact CE1-CG 3.72Å; Y614-Y619 HydrophobicContact CE1-CG 3.72Å; Y614-Y619 AromaticContact CE1-CZ 3.79Å; Y614-Y619 HydrophobicContact CG-CE2 4.23Å; Y614-E622 PolarHBondContact OH-OE1 2.81Å
615M48Very low53.5Low94 Ų94135 Ų13546%0.46364%0.641SS.*  trans-79.6141.4-169.5-63.8-57.8-171.100110.1E617 E618 Y619M615-E617 HydrophobicContact CB-CB 4.45Å; M615-E617 PolarHBondContact O-N 3.24Å; M615-E618 HydrophobicContact CB-CG 4.17Å; M615-E618 WeakPolarHBondContact O-CB 3.46Å; M615-E618 PolarHBondContact O-N 3.41Å; M615-Y619 PolarHBondContact O-N 2.95Å
616D55.5Low54Low134 Ų134133.6 Ų133.672%0.71763%0.627SS**Hα-helixtrans-60.3-33.3172.9-80-44.6000110.1E618 Y619 E620D616-E618 PolarHBondContact O-N 2.89Å; D616-Y619 PolarHBondContact O-N 2.83Å; D616-E620 VanDerWaalsContact O-CB 3.26Å; D616-E620 WeakPolarHBondContact O-CB 3.31Å; D616-E620 PolarHBondContact O-N 3.46Å
617E53.8Low54.9Low137 Ų137133.7 Ų133.764%0.6462%0.62SS**Hα-helixtrans-58.6-29.1172.7-67.879.4-176.900113.9M615 A621M615-E617 HydrophobicContact CB-CB 4.45Å; M615-E617 PolarHBondContact O-N 3.24Å; E617-A621 WeakPolarHBondContact O-CB 3.27Å; E617-A621 PolarHBondContact O-N 2.88Å
618E56.6Low55.9Low99 Ų99133 Ų13346%0.46362%0.615SS.*Hα-helixtrans-75.2-42.8176.6-71.2168.5-172.100110.4Y614 M615 D616 E622Y614-E618 HydrophobicContact CD1-CB 4.24Å; Y614-E618 HydrophobicContact CE1-CB 3.63Å; M615-E618 HydrophobicContact CB-CG 4.17Å; M615-E618 WeakPolarHBondContact O-CB 3.46Å; M615-E618 PolarHBondContact O-N 3.41Å; D616-E618 PolarHBondContact O-N 2.89Å; E618-E622 WeakPolarHBondContact O-CB 3.27Å; E618-E622 WeakPolarHBondContact O-CG 3.37Å; E618-E622 PolarHBondContact O-N 3.44Å
619Y59.5Low56.6Low143 Ų143126.9 Ų126.956%0.56160%0.599SS**Hα-helixtrans-68.7-41174-89.2-55000113.1Y614 M615 D616 E622 F623Y614-Y619 AromaticContact CD1-CD2 3.44Å; Y614-Y619 HydrophobicContact CD1-CD2 3.44Å; Y614-Y619 VanDerWaalsContact CD1-CD2 3.44Å; Y614-Y619 AromaticContact CD1-CE2 3.38Å; Y614-Y619 HydrophobicContact CD1-CE2 3.38Å; Y614-Y619 HydrophobicContact CD1-CG 4.26Å; Y614-Y619 HydrophobicContact CE1-CD1 4.13Å; Y614-Y619 AromaticContact CE1-CD2 3.34Å; Y614-Y619 HydrophobicContact CE1-CD2 3.34Å; Y614-Y619 HydrophobicContact CE1-CE1 4.16Å; Y614-Y619 AromaticContact CE1-CE2 3.39Å; Y614-Y619 HydrophobicContact CE1-CE2 3.39Å; Y614-Y619 AromaticContact CE1-CG 3.72Å; Y614-Y619 HydrophobicContact CE1-CG 3.72Å; Y614-Y619 AromaticContact CE1-CZ 3.79Å; Y614-Y619 HydrophobicContact CG-CE2 4.23Å; M615-Y619 PolarHBondContact O-N 2.95Å; D616-Y619 PolarHBondContact O-N 2.83Å; Y619-E622 PolarHBondContact O-N 3.38Å; Y619-F623 WeakPolarHBondContact O-CB 3.4Å; Y619-F623 PolarHBondContact O-N 3.24Å
620E64.7Low57.1Low100 Ų100127.9 Ų127.947%0.46759%0.592SS.*Hα-helixtrans-63.4-45177.1-175.160.5-135.900110.2D616 F623 Q624D616-E620 VanDerWaalsContact O-CB 3.26Å; D616-E620 WeakPolarHBondContact O-CB 3.31Å; D616-E620 PolarHBondContact O-N 3.46Å; E620-F623 PolarHBondContact O-N 2.89Å; E620-Q624 WeakPolarHBondContact O-CB 3.32Å; E620-Q624 VanDerWaalsContact O-CG 3.31Å; E620-Q624 WeakPolarHBondContact O-CG 3.34Å; E620-Q624 PolarHBondContact O-N 3.37Å; E620-Q624 WeakPolarHBondContact OE1-CG 3.4Å; E620-Q624 PolarHBondContact OE1-NE2 3.35Å
621A66.4Low58.8Low48 Ų48119.7 Ų119.740%0.39757%0.565SS.*Hα-helixtrans-63.1-46.8174.300000112.3E617 F623 Q624 V625E617-A621 WeakPolarHBondContact O-CB 3.27Å; E617-A621 PolarHBondContact O-N 2.88Å; A621-F623 VanDerWaalsContact C-N 3.29Å; A621-F623 PolarHBondContact O-N 2.91Å; A621-Q624 PolarHBondContact O-N 2.96Å; A621-V625 WeakPolarHBondContact O-CB 3.36Å; A621-V625 VanDerWaalsContact O-CG2 3.23Å; A621-V625 WeakPolarHBondContact O-CG2 3.38Å; A621-V625 PolarHBondContact O-N 2.86Å
622E61.3Low60.5Low112 Ų112113.4 Ų113.452%0.52355%0.55SS..Hα-helixtrans-62.1-35.8176-78.4-168.4-167.200112.5Y614 E618 Y619 K626Y614-E622 PolarHBondContact OH-OE1 2.81Å; E618-E622 WeakPolarHBondContact O-CB 3.27Å; E618-E622 WeakPolarHBondContact O-CG 3.37Å; E618-E622 PolarHBondContact O-N 3.44Å; Y619-E622 PolarHBondContact O-N 3.38Å; E622-K626 VanDerWaalsContact O-CB 3.25Å; E622-K626 WeakPolarHBondContact O-CB 3.34Å; E622-K626 PolarHBondContact O-N 2.94Å
623F60.6Low62.7Low115 Ų115107.1 Ų107.150%0.50453%0.532SS..Hα-helixtrans-72.3-44.5178.3-166.8-113.7000111.9Y619 E620 A621 K626 I627Y619-F623 WeakPolarHBondContact O-CB 3.4Å; Y619-F623 PolarHBondContact O-N 3.24Å; E620-F623 PolarHBondContact O-N 2.89Å; A621-F623 VanDerWaalsContact C-N 3.29Å; A621-F623 PolarHBondContact O-N 2.91Å; F623-K626 PolarHBondContact O-N 3.46Å; F623-I627 HydrophobicContact CD1-CD1 3.75Å; F623-I627 HydrophobicContact CE1-CD1 3.51Å; F623-I627 HydrophobicContact CG-CD1 4.46Å; F623-I627 HydrophobicContact CZ-CD1 4.04Å; F623-I627 WeakPolarHBondContact O-CG1 3.27Å; F623-I627 PolarHBondContact O-N 3.23Å
624Q62.7Low64.4Low108 Ų108101 Ų10151%0.50552%0.515SS..Hα-helixtrans-63.4-40.4173.4-71.4-176.722.600112.1E620 A621 K626 I627 T628E620-Q624 WeakPolarHBondContact O-CB 3.32Å; E620-Q624 VanDerWaalsContact O-CG 3.31Å; E620-Q624 WeakPolarHBondContact O-CG 3.34Å; E620-Q624 PolarHBondContact O-N 3.37Å; E620-Q624 WeakPolarHBondContact OE1-CG 3.4Å; E620-Q624 PolarHBondContact OE1-NE2 3.35Å; A621-Q624 PolarHBondContact O-N 2.96Å; Q624-K626 VanDerWaalsContact C-N 3.33Å; Q624-K626 PolarHBondContact O-N 3.5Å; Q624-I627 PolarHBondContact O-N 2.87Å; Q624-T628 WeakPolarHBondContact O-CB 3.46Å; Q624-T628 WeakPolarHBondContact O-CG2 3.39Å; Q624-T628 PolarHBondContact O-N 3.4Å; Q624-T628 PolarHBondContact O-OG1 2.86Å
625V63.7Low66.7Low94 Ų94100.5 Ų100.557%0.5752%0.517SS*.Hα-helixtrans-62.3-40.7172.7168.20000110.8A621 T628 A629A621-V625 WeakPolarHBondContact O-CB 3.36Å; A621-V625 VanDerWaalsContact O-CG2 3.23Å; A621-V625 WeakPolarHBondContact O-CG2 3.38Å; A621-V625 PolarHBondContact O-N 2.86Å; V625-T628 WeakPolarHBondContact CA-OG1 3.41Å; V625-T628 PolarHBondContact O-N 3.49Å; V625-T628 PolarHBondContact O-OG1 3.05Å; V625-A629 WeakPolarHBondContact O-CB 3.2Å; V625-A629 PolarHBondContact O-N 2.83Å
626K65.4Low68.8Low138 Ų138102.8 Ų102.860%0.652%0.524SS*.Hα-helixtrans-71.2-28.7177.6-168.6161.760.5-1580113.4E622 F623 Q624 K630E622-K626 VanDerWaalsContact O-CB 3.25Å; E622-K626 WeakPolarHBondContact O-CB 3.34Å; E622-K626 PolarHBondContact O-N 2.94Å; F623-K626 PolarHBondContact O-N 3.46Å; Q624-K626 VanDerWaalsContact C-N 3.33Å; Q624-K626 PolarHBondContact O-N 3.5Å; K626-K630 WeakPolarHBondContact O-CB 3.45Å; K626-K630 PolarHBondContact O-N 2.73Å
627I63.9Low70.6Confident91 Ų91101 Ų10147%0.46751%0.514SS..Hα-helixtrans-73.3-46.6171.4-72.6170.7000111F623 Q624 K630 G631F623-I627 HydrophobicContact CD1-CD1 3.75Å; F623-I627 HydrophobicContact CE1-CD1 3.51Å; F623-I627 HydrophobicContact CG-CD1 4.46Å; F623-I627 HydrophobicContact CZ-CD1 4.04Å; F623-I627 WeakPolarHBondContact O-CG1 3.27Å; F623-I627 PolarHBondContact O-N 3.23Å; Q624-I627 PolarHBondContact O-N 2.87Å; I627-K630 WeakPolarHBondContact O-CB 3.4Å; I627-K630 PolarHBondContact O-N 2.72Å; I627-K630 VanDerWaalsContact O-N 3.16Å; I627-G631 PolarHBondContact O-N 2.89Å
628T61.8Low72.6Confident102 Ų102100.3 Ų100.363%0.62651%0.511SS*.Hα-helixtrans-70.4-37.7-17950.80000112.4Q624 V625 K630 G631Q624-T628 WeakPolarHBondContact O-CB 3.46Å; Q624-T628 WeakPolarHBondContact O-CG2 3.39Å; Q624-T628 PolarHBondContact O-N 3.4Å; Q624-T628 PolarHBondContact O-OG1 2.86Å; V625-T628 WeakPolarHBondContact CA-OG1 3.41Å; V625-T628 PolarHBondContact O-N 3.49Å; V625-T628 PolarHBondContact O-OG1 3.05Å; T628-K630 PolarHBondContact O-N 3.19Å; T628-G631 WeakPolarHBondContact O-CA 3.15Å; T628-G631 PolarHBondContact O-N 3.39Å
629A64.9Low74.5Confident71 Ų71101.6 Ų101.659%0.58752%0.515SS*.Hα-helixtrans-64.7-24.617000000113V625 G631V625-A629 WeakPolarHBondContact O-CB 3.2Å; V625-A629 PolarHBondContact O-N 2.83Å; A629-G631 PolarHBondContact O-N 3.46Å
630K64Low76.2Confident113 Ų11399 Ų9949%0.49151%0.514SS..THydrogen-bonded Turntrans-76.2-3.4169.2-162173.6179.2-176.50112.6K626 I627 T628 D632 I633 N634K626-K630 WeakPolarHBondContact O-CB 3.45Å; K626-K630 PolarHBondContact O-N 2.73Å; I627-K630 WeakPolarHBondContact O-CB 3.4Å; I627-K630 PolarHBondContact O-N 2.72Å; I627-K630 VanDerWaalsContact O-N 3.16Å; T628-K630 PolarHBondContact O-N 3.19Å; K630-D632 VanDerWaalsContact C-N 3.28Å; K630-D632 PolarHBondContact O-N 2.82Å; K630-I633 HydrophobicContact CG-CB 3.97Å; K630-I633 HydrophobicContact CG-CD1 4.24Å; K630-I633 HydrophobicContact CG-CG2 4.36Å; K630-I633 WeakPolarHBondContact O-CB 3.43Å; K630-I633 PolarHBondContact O-N 3.17Å; K630-N634 PolarHBondContact O-N 3.34Å
631G77.8Confident77.7Confident30 Ų3098.3 Ų98.331%0.30951%0.512SS..Hα-helixtrans-51.7-41.9174.400000113.3I627 T628 A629 I633 N634 Q635I627-G631 PolarHBondContact O-N 2.89Å; T628-G631 WeakPolarHBondContact O-CA 3.15Å; T628-G631 PolarHBondContact O-N 3.39Å; A629-G631 PolarHBondContact O-N 3.46Å; G631-I633 VanDerWaalsContact C-N 3.34Å; G631-I633 PolarHBondContact O-N 2.93Å; G631-N634 PolarHBondContact O-N 2.77Å; G631-Q635 WeakPolarHBondContact O-CB 3.28Å; G631-Q635 PolarHBondContact O-N 3.36Å
632D83.3Confident79.2Confident110 Ų110101.8 Ų101.859%0.58852%0.52SS*.Hα-helixtrans-63.2-37.6175.9-78.6-14.9000113.2K630 K636K630-D632 VanDerWaalsContact C-N 3.28Å; K630-D632 PolarHBondContact O-N 2.82Å; D632-K636 WeakPolarHBondContact O-CB 3.11Å; D632-K636 VanDerWaalsContact O-CG 3.23Å; D632-K636 WeakPolarHBondContact O-CG 3.18Å; D632-K636 PolarHBondContact O-N 2.87Å
633I88.1Confident80.9Confident101 Ų101104.4 Ų104.452%0.51853%0.525SS..Hα-helixtrans-72.1-41.4178.2-66.6169.8000109.6K630 G631 K636 L637K630-I633 HydrophobicContact CG-CB 3.97Å; K630-I633 HydrophobicContact CG-CD1 4.24Å; K630-I633 HydrophobicContact CG-CG2 4.36Å; K630-I633 WeakPolarHBondContact O-CB 3.43Å; K630-I633 PolarHBondContact O-N 3.17Å; G631-I633 VanDerWaalsContact C-N 3.34Å; G631-I633 PolarHBondContact O-N 2.93Å; I633-K636 PolarHBondContact O-N 3Å; I633-L637 WeakPolarHBondContact O-CB 3.32Å; I633-L637 PolarHBondContact O-N 2.91Å
634N86.5Confident82.7Confident78 Ų78102.9 Ų102.942%0.41752%0.522SS..Hα-helixtrans-65.6-39.6175.3-67.4-19.8000111.6K630 G631 L637 Q638K630-N634 PolarHBondContact O-N 3.34Å; G631-N634 PolarHBondContact O-N 2.77Å; N634-L637 PolarHBondContact O-N 2.98Å; N634-Q638 WeakPolarHBondContact O-CB 3.36Å; N634-Q638 PolarHBondContact O-N 3.27Å
635Q91.6Very high84.3Confident93 Ų93103.1 Ų103.144%0.43553%0.526SS..Hα-helixtrans-69.9-36.5176.4-162.3-162.3100.900111.9G631 Q638 K639G631-Q635 WeakPolarHBondContact O-CB 3.28Å; G631-Q635 PolarHBondContact O-N 3.36Å; Q635-Q638 PolarHBondContact O-N 2.9Å; Q635-K639 WeakPolarHBondContact O-CB 3.33Å; Q635-K639 WeakPolarHBondContact O-CG 3.48Å; Q635-K639 PolarHBondContact O-N 2.87Å
636K92.8Very high85.9Confident141 Ų141103.5 Ų103.561%0.61352%0.522SS*.Hα-helixtrans-63.7-44.9170.2-77.8169.5-178.8173.20111.3D632 I633 K639 V640D632-K636 WeakPolarHBondContact O-CB 3.11Å; D632-K636 VanDerWaalsContact O-CG 3.23Å; D632-K636 WeakPolarHBondContact O-CG 3.18Å; D632-K636 PolarHBondContact O-N 2.87Å; I633-K636 PolarHBondContact O-N 3Å; K636-K639 PolarHBondContact O-N 3.03Å; K636-V640 WeakPolarHBondContact O-CG2 3.26Å; K636-V640 PolarHBondContact O-N 3.32Å
637L94.2Very high87.4Confident98 Ų98100.4 Ų100.451%0.51351%0.51SS..Hα-helixtrans-61.1-44.2175.5179.260000111.5I633 N634 K639 V640 I641I633-L637 WeakPolarHBondContact O-CB 3.32Å; I633-L637 PolarHBondContact O-N 2.91Å; N634-L637 PolarHBondContact O-N 2.98Å; L637-K639 VanDerWaalsContact C-N 3.35Å; L637-K639 PolarHBondContact O-N 3Å; L637-V640 PolarHBondContact O-N 3.13Å; L637-I641 HydrophobicContact CD1-CD1 3.96Å; L637-I641 HydrophobicContact CD1-CG1 4.27Å; L637-I641 HydrophobicContact CG-CD1 3.88Å; L637-I641 VanDerWaalsContact O-CG1 3.31Å; L637-I641 WeakPolarHBondContact O-CG1 3.38Å; L637-I641 PolarHBondContact O-N 3.33Å
638Q94.8Very high89Confident122 Ų122101.7 Ų101.757%0.5751%0.512SS*.Hα-helixtrans-59.2-43.9174-174.2-179.14.300111.5N634 Q635 I641 Q642N634-Q638 WeakPolarHBondContact O-CB 3.36Å; N634-Q638 PolarHBondContact O-N 3.27Å; Q635-Q638 PolarHBondContact O-N 2.9Å; Q638-I641 PolarHBondContact O-N 3.16Å; Q638-Q642 VanDerWaalsContact O-CB 3.27Å; Q638-Q642 WeakPolarHBondContact O-CB 3.34Å; Q638-Q642 PolarHBondContact O-N 3.49Å
639K95.8Very high90.6Very high126 Ų126101.5 Ų101.555%0.54851%0.506SS..Hα-helixtrans-63.5-39.6175.5-77166.7173.2171.30112.7Q635 K636 L637 W643Q635-K639 WeakPolarHBondContact O-CB 3.33Å; Q635-K639 WeakPolarHBondContact O-CG 3.48Å; Q635-K639 PolarHBondContact O-N 2.87Å; K636-K639 PolarHBondContact O-N 3.03Å; L637-K639 VanDerWaalsContact C-N 3.35Å; L637-K639 PolarHBondContact O-N 3Å; K639-W643 VanDerWaalsContact O-CB 3.32Å; K639-W643 WeakPolarHBondContact O-CB 3.45Å; K639-W643 PolarHBondContact O-N 2.93Å
640V96.1Very high92Very high89 Ų89100.7 Ų100.754%0.53950%0.496SS..Hα-helixtrans-66.3-43.1174.8170.60000111.4K636 L637 W643 L644K636-V640 WeakPolarHBondContact O-CG2 3.26Å; K636-V640 PolarHBondContact O-N 3.32Å; L637-V640 PolarHBondContact O-N 3.13Å; V640-W643 PolarHBondContact O-N 2.9Å; V640-L644 WeakPolarHBondContact O-CB 3.41Å; V640-L644 PolarHBondContact O-N 2.95Å
641I96.3Very high93.5Very high85 Ų8597.8 Ų97.844%0.43649%0.493SS..Hα-helixtrans-64.6-44.8176.1-68.6166.8000110.7L637 Q638 W643 L644 L645L637-I641 HydrophobicContact CD1-CD1 3.96Å; L637-I641 HydrophobicContact CD1-CG1 4.27Å; L637-I641 HydrophobicContact CG-CD1 3.88Å; L637-I641 VanDerWaalsContact O-CG1 3.31Å; L637-I641 WeakPolarHBondContact O-CG1 3.38Å; L637-I641 PolarHBondContact O-N 3.33Å; Q638-I641 PolarHBondContact O-N 3.16Å; I641-W643 VanDerWaalsContact C-N 3.34Å; I641-W643 PolarHBondContact O-N 2.94Å; I641-L644 PolarHBondContact O-N 2.99Å; I641-L645 HydrophobicContact CG2-CD1 3.84Å; I641-L645 HydrophobicContact CG2-CG 4.36Å; I641-L645 WeakPolarHBondContact O-CB 3.28Å; I641-L645 VanDerWaalsContact O-CG 3.27Å; I641-L645 WeakPolarHBondContact O-CG 3.31Å; I641-L645 PolarHBondContact O-N 3.47Å
642Q97.7Very high94.4Very high121 Ų121101.7 Ų101.757%0.56551%0.506SS*.Hα-helixtrans-57.7-46.4175.3-171.885.95100111.2Q638 Q646Q638-Q642 VanDerWaalsContact O-CB 3.27Å; Q638-Q642 WeakPolarHBondContact O-CB 3.34Å; Q638-Q642 PolarHBondContact O-N 3.49Å; Q642-Q646 WeakPolarHBondContact O-CB 3.25Å; Q642-Q646 PolarHBondContact O-N 3.35Å
643W97.3Very high95Very high166 Ų166101.5 Ų101.563%0.62950%0.502SS*.Hα-helixtrans-65.7-44.6178.8-179.781.6000112.2K639 V640 I641 L645 Q646 E647K639-W643 VanDerWaalsContact O-CB 3.32Å; K639-W643 WeakPolarHBondContact O-CB 3.45Å; K639-W643 PolarHBondContact O-N 2.93Å; V640-W643 PolarHBondContact O-N 2.9Å; I641-W643 VanDerWaalsContact C-N 3.34Å; I641-W643 PolarHBondContact O-N 2.94Å; W643-L645 PolarHBondContact O-N 3.31Å; W643-Q646 PolarHBondContact O-N 3.26Å; W643-E647 WeakPolarHBondContact O-CB 3.38Å; W643-E647 PolarHBondContact O-N 3.4Å
644L97.6Very high95.2Very high83 Ų83100.1 Ų100.144%0.43550%0.5SS..Hα-helixtrans-63.9-41.2177.3-173.169.7000111.8V640 I641 E647 K648V640-L644 WeakPolarHBondContact O-CB 3.41Å; V640-L644 PolarHBondContact O-N 2.95Å; I641-L644 PolarHBondContact O-N 2.99Å; L644-E647 PolarHBondContact O-N 3.41Å; L644-K648 WeakPolarHBondContact O-CG 3.33Å; L644-K648 PolarHBondContact O-N 2.88Å
645L96.9Very high95.7Very high113 Ų11399 Ų9959%0.59250%0.502SS*.Hα-helixtrans-64.4-41.4174.6-72.9171.7000111.6I641 W643 K648 L649I641-L645 HydrophobicContact CG2-CD1 3.84Å; I641-L645 HydrophobicContact CG2-CG 4.36Å; I641-L645 WeakPolarHBondContact O-CB 3.28Å; I641-L645 VanDerWaalsContact O-CG 3.27Å; I641-L645 WeakPolarHBondContact O-CG 3.31Å; I641-L645 PolarHBondContact O-N 3.47Å; W643-L645 PolarHBondContact O-N 3.31Å; L645-K648 PolarHBondContact O-N 2.83Å; L645-L649 VanDerWaalsContact O-CB 3.25Å; L645-L649 WeakPolarHBondContact O-CB 3.35Å; L645-L649 PolarHBondContact O-N 3.32Å
646Q97.2Very high95.9Very high102 Ų10298.6 Ų98.648%0.47751%0.505SS..Hα-helixtrans-64-44175.1-172.163.644.800111.6Q642 W643 L649 C650Q642-Q646 WeakPolarHBondContact O-CB 3.25Å; Q642-Q646 PolarHBondContact O-N 3.35Å; W643-Q646 PolarHBondContact O-N 3.26Å; Q646-L649 PolarHBondContact O-N 3.23Å; Q646-C650 PolarHBondContact NE2-SG 2.89Å; Q646-C650 WeakPolarHBondContact O-CB 3.23Å; Q646-C650 PolarHBondContact O-N 3.48Å; Q646-C650 PolarHBondContact O-SG 3.5Å
647E97.1Very high96Very high74 Ų7497.8 Ų97.835%0.34650%0.502SS..Hα-helixtrans-59-49.3176.2-173-151.6-144.900110.9W643 L644 L649 C650 A651W643-E647 WeakPolarHBondContact O-CB 3.38Å; W643-E647 PolarHBondContact O-N 3.4Å; L644-E647 PolarHBondContact O-N 3.41Å; E647-L649 PolarHBondContact O-N 3.2Å; E647-C650 PolarHBondContact O-N 2.91Å; E647-A651 VanDerWaalsContact O-CB 3.31Å; E647-A651 WeakPolarHBondContact O-CB 3.42Å; E647-A651 PolarHBondContact O-N 3.41Å
648K96.5Very high96.2Very high117 Ų11797.8 Ų97.851%0.50950%0.503SS..Hα-helixtrans-68.7-33179-61.6-36.9-179.5-1530112.8L644 L645 L652L644-K648 WeakPolarHBondContact O-CG 3.33Å; L644-K648 PolarHBondContact O-N 2.88Å; L645-K648 PolarHBondContact O-N 2.83Å; K648-L652 VanDerWaalsContact O-CB 3.28Å; K648-L652 WeakPolarHBondContact O-CB 3.16Å; K648-L652 PolarHBondContact O-N 2.94Å
649L96.9Very high96.3Very high99 Ų9999.4 Ų99.452%0.51851%0.508SS..Hα-helixtrans-68.1-46174.8-174.862.3000111.5L645 Q646 E647 L652 Q653L645-L649 VanDerWaalsContact O-CB 3.25Å; L645-L649 WeakPolarHBondContact O-CB 3.35Å; L645-L649 PolarHBondContact O-N 3.32Å; Q646-L649 PolarHBondContact O-N 3.23Å; E647-L649 PolarHBondContact O-N 3.2Å; L649-L652 PolarHBondContact O-N 3.43Å; L649-Q653 WeakPolarHBondContact O-CB 3.26Å; L649-Q653 PolarHBondContact O-N 3.32Å
650C94.3Very high96.3Very high53 Ų5397 Ų9736%0.35850%0.503SS..Hα-helixtrans-59.3-47.5172.8-72.40000111.5Q646 E647 L652 Q653 C654Q646-C650 PolarHBondContact NE2-SG 2.89Å; Q646-C650 WeakPolarHBondContact O-CB 3.23Å; Q646-C650 PolarHBondContact O-N 3.48Å; Q646-C650 PolarHBondContact O-SG 3.5Å; E647-C650 PolarHBondContact O-N 2.91Å; C650-L652 PolarHBondContact O-N 3.38Å; C650-Q653 PolarHBondContact O-N 3.45Å; C650-C654 PolarHBondContact O-N 3.35Å; C650-C654 PolarHBondContact O-SG 2.96Å; C650-C654 VanDerWaalsContact O-SG 3.32Å
651A96.1Very high96.4Very high53 Ų5397.8 Ų97.844%0.43850%0.504SS..Hα-helixtrans-61.5-41.417900000112.4E647 A655E647-A651 VanDerWaalsContact O-CB 3.31Å; E647-A651 WeakPolarHBondContact O-CB 3.42Å; E647-A651 PolarHBondContact O-N 3.41Å; A651-A655 WeakPolarHBondContact O-CB 3.34Å; A651-A655 PolarHBondContact O-N 2.78Å
652L96.3Very high96.4Very high111 Ų11196.3 Ų96.358%0.58151%0.505SS*.Hα-helixtrans-64.7-41.8174.4-179.861.9000111.7K648 L649 C650 A655 V656K648-L652 VanDerWaalsContact O-CB 3.28Å; K648-L652 WeakPolarHBondContact O-CB 3.16Å; K648-L652 PolarHBondContact O-N 2.94Å; L649-L652 PolarHBondContact O-N 3.43Å; C650-L652 PolarHBondContact O-N 3.38Å; L652-A655 PolarHBondContact O-N 2.87Å; L652-V656 WeakPolarHBondContact O-CG2 3.36Å; L652-V656 PolarHBondContact O-N 2.88Å
653Q95.2Very high96.3Very high107 Ų10795.9 Ų95.950%0.550%0.503SS..Hα-helixtrans-65.3-43.8178.2-172.9172.29.200111.8L649 C650 V656 F657L649-Q653 WeakPolarHBondContact O-CB 3.26Å; L649-Q653 PolarHBondContact O-N 3.32Å; C650-Q653 PolarHBondContact O-N 3.45Å; Q653-V656 PolarHBondContact O-N 2.79Å; Q653-F657 HydrophobicContact CG-CD2 3.94Å; Q653-F657 HydrophobicContact CG-CE2 3.64Å; Q653-F657 VanDerWaalsContact O-CD2 3.23Å; Q653-F657 WeakPolarHBondContact O-CD2 3.2Å; Q653-F657 PolarHBondContact O-N 2.85Å
654C93.1Very high96.2Very high71 Ų7191.8 Ų91.848%0.4849%0.493SS..Hα-helixtrans-59.7-50.1171.8-66.90000111.4C650 V656 F657 D658C650-C654 PolarHBondContact O-N 3.35Å; C650-C654 PolarHBondContact O-SG 2.96Å; C650-C654 VanDerWaalsContact O-SG 3.32Å; C654-V656 VanDerWaalsContact C-N 3.26Å; C654-V656 PolarHBondContact O-N 3.35Å; C654-F657 CarbonylContact O-C 3.58Å; C654-F657 WeakPolarHBondContact O-CA 3.47Å; C654-F657 PolarHBondContact O-N 2.97Å; C654-D658 PolarHBondContact O-N 3.06Å
655A95.8Very high96Very high56 Ų5694.9 Ų94.946%0.46350%0.503SS..Hα-helixtrans-60.6-33.3179.500000113.4A651 L652 K659A651-A655 WeakPolarHBondContact O-CB 3.34Å; A651-A655 PolarHBondContact O-N 2.78Å; L652-A655 PolarHBondContact O-N 2.87Å; A655-K659 VanDerWaalsContact O-CB 3.26Å; A655-K659 WeakPolarHBondContact O-CB 3.32Å; A655-K659 PolarHBondContact O-N 3.39Å; A655-K659 VanDerWaalsContact O-N 3.1Å
656V95.8Very high95.8Very high83 Ų8393.7 Ų93.750%0.50350%0.5SS..Hα-helixtrans-68.3-46.8171169.10000110.9L652 Q653 C654 K659 T660L652-V656 WeakPolarHBondContact O-CG2 3.36Å; L652-V656 PolarHBondContact O-N 2.88Å; Q653-V656 PolarHBondContact O-N 2.79Å; C654-V656 VanDerWaalsContact C-N 3.26Å; C654-V656 PolarHBondContact O-N 3.35Å; V656-K659 PolarHBondContact O-N 3.32Å; V656-T660 WeakPolarHBondContact O-CG2 3.32Å; V656-T660 PolarHBondContact O-N 3Å; V656-T660 PolarHBondContact O-OG1 3.39Å
657F95.8Very high95.7Very high125 Ų12594.9 Ų94.955%0.54850%0.5SS..Hα-helixtrans-59.8-51.1176.2-79.9-54.5000112Q653 C654 K659 T660 L661Q653-F657 HydrophobicContact CG-CD2 3.94Å; Q653-F657 HydrophobicContact CG-CE2 3.64Å; Q653-F657 VanDerWaalsContact O-CD2 3.23Å; Q653-F657 WeakPolarHBondContact O-CD2 3.2Å; Q653-F657 PolarHBondContact O-N 2.85Å; C654-F657 CarbonylContact O-C 3.58Å; C654-F657 WeakPolarHBondContact O-CA 3.47Å; C654-F657 PolarHBondContact O-N 2.97Å; F657-K659 VanDerWaalsContact C-N 3.29Å; F657-K659 PolarHBondContact O-N 3.1Å; F657-T660 CarbonylContact O-C 3.53Å; F657-T660 PolarHBondContact O-N 2.96Å; F657-T660 PolarHBondContact O-OG1 2.94Å; F657-L661 WeakPolarHBondContact O-CB 3.37Å; F657-L661 PolarHBondContact O-N 2.78Å
658D97.3Very high95.3Very high98 Ų9895 Ų9552%0.52451%0.506SS..Hα-helixtrans-57.8-40.7178.6-69.7-37.2000111.9C654 L661 A662C654-D658 PolarHBondContact O-N 3.06Å; D658-L661 PolarHBondContact O-N 3.32Å; D658-A662 VanDerWaalsContact O-CB 3.29Å; D658-A662 WeakPolarHBondContact O-CB 3.47Å; D658-A662 PolarHBondContact O-N 3.31Å
659K96.8Very high94.8Very high156 Ų15696.1 Ų96.168%0.67851%0.513SS*.Hα-helixtrans-63.5-45174-176.4173.9180176.10112.1A655 V656 F657 L661 A662 E663A655-K659 VanDerWaalsContact O-CB 3.26Å; A655-K659 WeakPolarHBondContact O-CB 3.32Å; A655-K659 PolarHBondContact O-N 3.39Å; A655-K659 VanDerWaalsContact O-N 3.1Å; V656-K659 PolarHBondContact O-N 3.32Å; F657-K659 VanDerWaalsContact C-N 3.29Å; F657-K659 PolarHBondContact O-N 3.1Å; K659-L661 VanDerWaalsContact C-N 3.32Å; K659-A662 PolarHBondContact O-N 2.83Å; K659-E663 WeakPolarHBondContact O-CB 3.29Å; K659-E663 PolarHBondContact O-N 3.19Å
660T96.9Very high94.2Very high74 Ų7499.9 Ų99.945%0.45453%0.525SS..Hα-helixtrans-68.4-31.1176.660.70000112.8V656 F657 L664V656-T660 WeakPolarHBondContact O-CG2 3.32Å; V656-T660 PolarHBondContact O-N 3Å; V656-T660 PolarHBondContact O-OG1 3.39Å; F657-T660 CarbonylContact O-C 3.53Å; F657-T660 PolarHBondContact O-N 2.96Å; F657-T660 PolarHBondContact O-OG1 2.94Å; T660-L664 WeakPolarHBondContact O-CB 3.44Å; T660-L664 PolarHBondContact O-N 3.24Å
661L97.1Very high93.5Very high106 Ų106103.4 Ų103.456%0.55554%0.539SS*.Hα-helixtrans-72.3-40.5175.6-179.460.6000111.3F657 D658 K659 L664 K665F657-L661 WeakPolarHBondContact O-CB 3.37Å; F657-L661 PolarHBondContact O-N 2.78Å; D658-L661 PolarHBondContact O-N 3.32Å; K659-L661 VanDerWaalsContact C-N 3.32Å; L661-L664 PolarHBondContact O-N 3.36Å; L661-K665 VanDerWaalsContact O-CB 3.28Å; L661-K665 WeakPolarHBondContact O-CB 3.24Å; L661-K665 PolarHBondContact O-N 2.93Å
662A96.1Very high92.5Very high54 Ų54105.2 Ų105.245%0.44654%0.539SS..Hα-helixtrans-64.1-47.3172.500000111.3D658 K659 L664 K665 T666D658-A662 VanDerWaalsContact O-CB 3.29Å; D658-A662 WeakPolarHBondContact O-CB 3.47Å; D658-A662 PolarHBondContact O-N 3.31Å; K659-A662 PolarHBondContact O-N 2.83Å; A662-L664 VanDerWaalsContact C-N 3.35Å; A662-L664 PolarHBondContact O-N 3.46Å; A662-K665 WeakPolarHBondContact O-CB 3.5Å; A662-K665 PolarHBondContact O-N 3.2Å; A662-T666 PolarHBondContact O-N 3.46Å; A662-T666 PolarHBondContact O-OG1 2.79Å
663E95.6Very high91.1Very high113 Ų113101.1 Ų101.153%0.52852%0.519SS..Hα-helixtrans-60.7-44.5174.6-166-158.9127.900111.2K659 K665 T666 R667K659-E663 WeakPolarHBondContact O-CB 3.29Å; K659-E663 PolarHBondContact O-N 3.19Å; E663-K665 VanDerWaalsContact C-N 3.34Å; E663-K665 PolarHBondContact O-N 2.89Å; E663-T666 PolarHBondContact O-N 2.76Å; E663-R667 WeakPolarHBondContact O-CB 3.21Å; E663-R667 WeakPolarHBondContact O-CG 3.48Å; E663-R667 PolarHBondContact O-N 3.45Å; E663-R667 IonicContact OE1-NE 3.64Å
664L96.3Very high89.8Confident79 Ų79101.4 Ų101.441%0.41452%0.524SS..Hα-helixtrans-59.8-44174.5178.662.8000111.2T660 L661 A662 R667 V668T660-L664 WeakPolarHBondContact O-CB 3.44Å; T660-L664 PolarHBondContact O-N 3.24Å; L661-L664 PolarHBondContact O-N 3.36Å; A662-L664 VanDerWaalsContact C-N 3.35Å; A662-L664 PolarHBondContact O-N 3.46Å; L664-R667 PolarHBondContact O-N 2.81Å; L664-V668 HydrophobicContact CD1-CG2 4.04Å; L664-V668 HydrophobicContact CG-CG2 4.3Å; L664-V668 VanDerWaalsContact O-CB 3.32Å; L664-V668 WeakPolarHBondContact O-CB 3.28Å; L664-V668 VanDerWaalsContact O-CG2 3.24Å; L664-V668 WeakPolarHBondContact O-CG2 3.35Å; L664-V668 PolarHBondContact O-N 3.44Å
665K93.4Very high89.2Confident149 Ų149107.2 Ų107.265%0.64854%0.541SS*.Hα-helixtrans-60.8-47.5177-175.5179.2177.5-176.60111.2L661 A662 E663 V668 E669L661-K665 VanDerWaalsContact O-CB 3.28Å; L661-K665 WeakPolarHBondContact O-CB 3.24Å; L661-K665 PolarHBondContact O-N 2.93Å; A662-K665 WeakPolarHBondContact O-CB 3.5Å; A662-K665 PolarHBondContact O-N 3.2Å; E663-K665 VanDerWaalsContact C-N 3.34Å; E663-K665 PolarHBondContact O-N 2.89Å; K665-V668 PolarHBondContact O-N 2.65Å; K665-E669 WeakPolarHBondContact O-CB 3.46Å; K665-E669 PolarHBondContact O-N 2.99Å
666T93.5Very high88.4Confident88 Ų88112.5 Ų112.554%0.5455%0.549SS..Hα-helixtrans-65.7-37.3176.4-56.30000112.3A662 E663 K670A662-T666 PolarHBondContact O-N 3.46Å; A662-T666 PolarHBondContact O-OG1 2.79Å; E663-T666 PolarHBondContact O-N 2.76Å; T666-K670 WeakPolarHBondContact O-CB 3.34Å; T666-K670 PolarHBondContact O-N 3.28Å
667R93.4Very high88Confident126 Ų126113.6 Ų113.648%0.47555%0.548SS..Hα-helixtrans-67.3-41.5173.1-70.7-167.7-49.7115.35.6111.6E663 L664 K670 I671E663-R667 WeakPolarHBondContact O-CB 3.21Å; E663-R667 WeakPolarHBondContact O-CG 3.48Å; E663-R667 PolarHBondContact O-N 3.45Å; E663-R667 IonicContact OE1-NE 3.64Å; L664-R667 PolarHBondContact O-N 2.81Å; R667-K670 PolarHBondContact O-N 2.93Å; R667-I671 WeakPolarHBondContact O-CB 3.21Å; R667-I671 WeakPolarHBondContact O-CD1 3.4Å; R667-I671 WeakPolarHBondContact O-CG1 3.45Å; R667-I671 PolarHBondContact O-N 3.05Å
668V88.8Confident87.8Confident78 Ų78115 Ų11547%0.47355%0.554SS.*Hα-helixtrans-61.6-50.2174.4166.10000109.6L664 K665 K670 I671 E672L664-V668 HydrophobicContact CD1-CG2 4.04Å; L664-V668 HydrophobicContact CG-CG2 4.3Å; L664-V668 VanDerWaalsContact O-CB 3.32Å; L664-V668 WeakPolarHBondContact O-CB 3.28Å; L664-V668 VanDerWaalsContact O-CG2 3.24Å; L664-V668 WeakPolarHBondContact O-CG2 3.35Å; L664-V668 PolarHBondContact O-N 3.44Å; K665-V668 PolarHBondContact O-N 2.65Å; V668-K670 VanDerWaalsContact C-N 3.29Å; V668-K670 PolarHBondContact O-N 2.69Å; V668-I671 CarbonylContact O-C 3.6Å; V668-I671 PolarHBondContact O-N 3.01Å; V668-E672 WeakPolarHBondContact O-CA 3.44Å; V668-E672 WeakPolarHBondContact O-CB 3.11Å; V668-E672 PolarHBondContact O-N 3.36Å
669E86.4Confident87.5Confident139 Ų139113 Ų11365%0.6555%0.551SS**Hα-helixtrans-60.1-35.3176.9-176.1171.9-162.900113.2K665 I671K665-E669 WeakPolarHBondContact O-CB 3.46Å; K665-E669 PolarHBondContact O-N 2.99Å; E669-I671 VanDerWaalsContact C-N 3.35Å
670K83.9Confident87.3Confident179 Ų179109.9 Ų109.978%0.77855%0.545SS*.Hα-helixtrans-72.7-24.9175.4-170169.7-176.6172.20113.4T666 R667 V668T666-K670 WeakPolarHBondContact O-CB 3.34Å; T666-K670 PolarHBondContact O-N 3.28Å; R667-K670 PolarHBondContact O-N 2.93Å; V668-K670 VanDerWaalsContact C-N 3.29Å; V668-K670 PolarHBondContact O-N 2.69Å
671I80.8Confident87.2Confident126 Ų126111.6 Ų111.665%0.64655%0.551SS**Hα-helixtrans-89.2-42175.7-69.6164.6000110.9R667 V668 E669 C673R667-I671 WeakPolarHBondContact O-CB 3.21Å; R667-I671 WeakPolarHBondContact O-CD1 3.4Å; R667-I671 WeakPolarHBondContact O-CG1 3.45Å; R667-I671 PolarHBondContact O-N 3.05Å; V668-I671 CarbonylContact O-C 3.6Å; V668-I671 PolarHBondContact O-N 3.01Å; E669-I671 VanDerWaalsContact C-N 3.35Å; I671-C673 VanDerWaalsContact C-N 3.35Å; I671-C673 WeakPolarHBondContact O-CB 3.31Å; I671-C673 PolarHBondContact O-N 3.31Å
672E75.5Confident87.1Confident92 Ų92110 Ų11043%0.4355%0.546SS..SBendtrans-69.687.8-179.3-18047.4-98.800109V668 N674 H677V668-E672 WeakPolarHBondContact O-CA 3.44Å; V668-E672 WeakPolarHBondContact O-CB 3.11Å; V668-E672 PolarHBondContact O-N 3.36Å; E672-N674 PolarHBondContact O-N 2.66Å; E672-H677 IonicContact OE1-CE1 3.52Å; E672-H677 IonicContact OE1-ND1 2.7Å; E672-H677 PolarHBondContact OE1-ND1 2.77Å
673C65.8Low87.2Confident25 Ų25112 Ų11217%0.16955%0.546CS..  trans-8651-156.1-140.70000112.7I671 K675 R676 H677I671-C673 VanDerWaalsContact C-N 3.35Å; I671-C673 WeakPolarHBondContact O-CB 3.31Å; I671-C673 PolarHBondContact O-N 3.31Å; C673-K675 PolarHBondContact O-N 2.95Å; C673-R676 HydrophobicContact CB-CB 4.17Å; C673-R676 CarbonylContact O-C 3.56Å; C673-R676 WeakPolarHBondContact O-CA 3.43Å; C673-R676 PolarHBondContact O-N 2.8Å; C673-R676 PolarHBondContact SG-NE 2.8Å; C673-H677 PolarHBondContact O-N 3.3Å
674N68.8Low87.3Confident112 Ų112111 Ų11160%0.59954%0.543SS*.Hα-helixtrans-42.5-40.2175.2-94.1-56.6000112.8E672 H677 K678E672-N674 PolarHBondContact O-N 2.66Å; N674-H677 PolarHBondContact O-N 3.03Å; N674-K678 WeakPolarHBondContact O-CB 3.43Å; N674-K678 PolarHBondContact O-N 2.88Å
675K79.6Confident87.3Confident193 Ų193113.3 Ų113.384%0.83955%0.552SS**Hα-helixtrans-67.7-37.1176.3-161.3166.4-175.3171.60113.5C673 A679C673-K675 PolarHBondContact O-N 2.95Å; K675-A679 WeakPolarHBondContact O-CB 3.5Å; K675-A679 PolarHBondContact O-N 3.43Å
676R78.9Confident87.5Confident168 Ų168107.8 Ų107.863%0.63453%0.534SS*.Hα-helixtrans-74.5-42170.8-77.9-167.7-66.7153.83.5111.9C673 A679 V680C673-R676 HydrophobicContact CB-CB 4.17Å; C673-R676 CarbonylContact O-C 3.56Å; C673-R676 WeakPolarHBondContact O-CA 3.43Å; C673-R676 PolarHBondContact O-N 2.8Å; C673-R676 PolarHBondContact SG-NE 2.8Å; R676-A679 PolarHBondContact O-N 3.07Å; R676-V680 WeakPolarHBondContact O-CG2 3.31Å; R676-V680 PolarHBondContact O-N 2.8Å
677H88.3Confident87.7Confident105 Ų105108.2 Ų108.249%0.48653%0.529SS..Hα-helixtrans-63.3-44.4179.6-61.2158.7000111.1E672 C673 N674 A679 V680 L681E672-H677 IonicContact OE1-CE1 3.52Å; E672-H677 IonicContact OE1-ND1 2.7Å; E672-H677 PolarHBondContact OE1-ND1 2.77Å; C673-H677 PolarHBondContact O-N 3.3Å; N674-H677 PolarHBondContact O-N 3.03Å; H677-A679 PolarHBondContact O-N 2.82Å; H677-V680 PolarHBondContact O-N 3.45Å; H677-L681 VanDerWaalsContact O-CB 3.31Å; H677-L681 WeakPolarHBondContact O-CB 3.37Å; H677-L681 PolarHBondContact O-N 3.48Å
678K90.3Very high87.9Confident156 Ų156106.8 Ų106.868%0.67853%0.53SS*.Hα-helixtrans-61.4-40.7172.5-170.7171-177174.20112.2N674 L681 T682N674-K678 WeakPolarHBondContact O-CB 3.43Å; N674-K678 PolarHBondContact O-N 2.88Å; K678-L681 PolarHBondContact O-N 2.86Å; K678-T682 WeakPolarHBondContact O-CG2 3.36Å; K678-T682 PolarHBondContact O-N 3.26Å; K678-T682 PolarHBondContact O-OG1 3.28Å
679A90.8Very high88.3Confident54 Ų54105.9 Ų105.945%0.44653%0.53SS..Hα-helixtrans-67.9-39.6176.200000113.3K675 R676 H677 T682 E683K675-A679 WeakPolarHBondContact O-CB 3.5Å; K675-A679 PolarHBondContact O-N 3.43Å; R676-A679 PolarHBondContact O-N 3.07Å; H677-A679 PolarHBondContact O-N 2.82Å; A679-T682 PolarHBondContact O-OG1 2.81Å; A679-E683 WeakPolarHBondContact O-CB 3.29Å; A679-E683 PolarHBondContact O-N 3.18Å
680V94.1Very high88.8Confident91 Ų91107 Ų10755%0.55253%0.528SS*.Hα-helixtrans-67-38.2173.9170.30000110.8R676 H677 E683 L684R676-V680 WeakPolarHBondContact O-CG2 3.31Å; R676-V680 PolarHBondContact O-N 2.8Å; H677-V680 PolarHBondContact O-N 3.45Å; V680-E683 PolarHBondContact O-N 2.87Å; V680-L684 VanDerWaalsContact O-CB 3.25Å; V680-L684 WeakPolarHBondContact O-CB 2.99Å; V680-L684 PolarHBondContact O-N 3.23Å
681L95Very high89.4Confident110 Ų110104.3 Ų104.358%0.57652%0.522SS*.Hα-helixtrans-64.2-47176.4-175.564.9000111.7H677 K678 L684 Q685H677-L681 VanDerWaalsContact O-CB 3.31Å; H677-L681 WeakPolarHBondContact O-CB 3.37Å; H677-L681 PolarHBondContact O-N 3.48Å; K678-L681 PolarHBondContact O-N 2.86Å; L681-L684 PolarHBondContact O-N 3.07Å; L681-Q685 WeakPolarHBondContact O-CB 3.11Å; L681-Q685 PolarHBondContact O-N 3.24Å
682T95.1Very high90.2Very high74 Ų74102.6 Ų102.645%0.45452%0.518SS..Hα-helixtrans-68.7-35.1177560000112.2K678 A679 Q685 A686K678-T682 WeakPolarHBondContact O-CG2 3.36Å; K678-T682 PolarHBondContact O-N 3.26Å; K678-T682 PolarHBondContact O-OG1 3.28Å; A679-T682 PolarHBondContact O-OG1 2.81Å; T682-Q685 PolarHBondContact O-N 3.45Å; T682-A686 VanDerWaalsContact O-CB 3.29Å; T682-A686 WeakPolarHBondContact O-CB 3.25Å; T682-A686 PolarHBondContact O-N 3.38Å
683E96.5Very high91.2Very high96 Ų96106.5 Ų106.545%0.44953%0.533SS..Hα-helixtrans-65.9-38.8173-156.9-144.9171.700111.8A679 V680 A686 K687A679-E683 WeakPolarHBondContact O-CB 3.29Å; A679-E683 PolarHBondContact O-N 3.18Å; V680-E683 PolarHBondContact O-N 2.87Å; E683-A686 PolarHBondContact O-N 3.35Å; E683-K687 WeakPolarHBondContact O-CB 3.35Å; E683-K687 VanDerWaalsContact O-CG 3.27Å; E683-K687 WeakPolarHBondContact O-CG 3.27Å; E683-K687 PolarHBondContact O-N 2.73Å; E683-K687 WeakPolarHBondContact OE1-CE 3.4Å; E683-K687 IonicContact OE1-NZ 3.67Å; E683-K687 PolarHBondContact OE1-NZ 3.46Å; E683-K687 IonicContact OE2-NZ 2.73Å; E683-K687 PolarHBondContact OE2-NZ 3.4Å
684L97.8Very high92.5Very high91 Ų91115 Ų11548%0.47656%0.561SS.*Hα-helixtrans-66.3-44.9174.6-177.862000111.5V680 L681 A686 K687 I688V680-L684 VanDerWaalsContact O-CB 3.25Å; V680-L684 WeakPolarHBondContact O-CB 2.99Å; V680-L684 PolarHBondContact O-N 3.23Å; L681-L684 PolarHBondContact O-N 3.07Å; L684-A686 VanDerWaalsContact C-N 3.32Å; L684-A686 PolarHBondContact O-N 2.67Å; L684-K687 WeakPolarHBondContact O-CB 3.46Å; L684-K687 PolarHBondContact O-N 3.16Å; L684-K687 VanDerWaalsContact O-N 3.14Å; L684-I688 HydrophobicContact CG-CD1 4.15Å; L684-I688 WeakPolarHBondContact O-CG1 3.46Å; L684-I688 PolarHBondContact O-N 3.48Å
685Q97.7Very high93.7Very high128 Ų128116.8 Ų116.860%0.59856%0.564SS**Hα-helixtrans-60.6-41.1174.6-169.1177.15.700111.3L681 T682 I688 A689L681-Q685 WeakPolarHBondContact O-CB 3.11Å; L681-Q685 PolarHBondContact O-N 3.24Å; T682-Q685 PolarHBondContact O-N 3.45Å; Q685-I688 PolarHBondContact O-N 3.31Å; Q685-A689 WeakPolarHBondContact O-CB 3.36Å; Q685-A689 PolarHBondContact O-N 3.02Å
686A97.4Very high94.4Very high33 Ų33108.7 Ų108.727%0.27354%0.536SS..Hα-helixtrans-66.4-36.9173.200000112.7T682 E683 L684 R690T682-A686 VanDerWaalsContact O-CB 3.29Å; T682-A686 WeakPolarHBondContact O-CB 3.25Å; T682-A686 PolarHBondContact O-N 3.38Å; E683-A686 PolarHBondContact O-N 3.35Å; L684-A686 VanDerWaalsContact C-N 3.32Å; L684-A686 PolarHBondContact O-N 2.67Å; A686-R690 WeakPolarHBondContact O-CB 3.29Å; A686-R690 WeakPolarHBondContact O-CD 3.18Å; A686-R690 WeakPolarHBondContact O-CG 3.43Å; A686-R690 PolarHBondContact O-N 2.97Å
687K97.8Very high94.8Very high97 Ų97103.7 Ų103.742%0.42253%0.53SS..Hα-helixtrans-63.9-43.2172.2-76.6163.2179.8165.10111.4E683 L684 R690 L691E683-K687 WeakPolarHBondContact O-CB 3.35Å; E683-K687 VanDerWaalsContact O-CG 3.27Å; E683-K687 WeakPolarHBondContact O-CG 3.27Å; E683-K687 PolarHBondContact O-N 2.73Å; E683-K687 WeakPolarHBondContact OE1-CE 3.4Å; E683-K687 IonicContact OE1-NZ 3.67Å; E683-K687 PolarHBondContact OE1-NZ 3.46Å; E683-K687 IonicContact OE2-NZ 2.73Å; E683-K687 PolarHBondContact OE2-NZ 3.4Å; L684-K687 WeakPolarHBondContact O-CB 3.46Å; L684-K687 PolarHBondContact O-N 3.16Å; L684-K687 VanDerWaalsContact O-N 3.14Å; K687-R690 PolarHBondContact O-N 3.21Å; K687-L691 WeakPolarHBondContact O-CB 3.37Å; K687-L691 PolarHBondContact O-N 2.97Å
688I97.5Very high94.8Very high96 Ų96101.5 Ų101.549%0.49253%0.53SS..Hα-helixtrans-62-51.1174.7-68.1163.8000110.1L684 Q685 R690 L691 T692L684-I688 HydrophobicContact CG-CD1 4.15Å; L684-I688 WeakPolarHBondContact O-CG1 3.46Å; L684-I688 PolarHBondContact O-N 3.48Å; Q685-I688 PolarHBondContact O-N 3.31Å; I688-R690 VanDerWaalsContact C-N 3.33Å; I688-R690 PolarHBondContact O-N 2.85Å; I688-L691 CarbonylContact O-C 3.57Å; I688-L691 WeakPolarHBondContact O-CB 3.44Å; I688-L691 PolarHBondContact O-N 2.9Å; I688-T692 PolarHBondContact O-N 3.14Å; I688-T692 PolarHBondContact O-OG1 2.88Å; I688-T692 VanDerWaalsContact O-OG1 3.13Å
689A96.8Very high94.6Very high59 Ų5999.3 Ų99.349%0.48852%0.521SS..Hα-helixtrans-58.7-41.6178.400000112.7Q685 T692 K693Q685-A689 WeakPolarHBondContact O-CB 3.36Å; Q685-A689 PolarHBondContact O-N 3.02Å; A689-T692 PolarHBondContact O-N 3.45Å; A689-K693 WeakPolarHBondContact O-CB 3.42Å; A689-K693 PolarHBondContact O-N 3.47Å
690R96.6Very high94.5Very high161 Ų161100.1 Ų100.161%0.60852%0.518SS*.Hα-helixtrans-63.7-41173.6-72.1164.5-174.4159.91.9112A686 K687 I688 R694A686-R690 WeakPolarHBondContact O-CB 3.29Å; A686-R690 WeakPolarHBondContact O-CD 3.18Å; A686-R690 WeakPolarHBondContact O-CG 3.43Å; A686-R690 PolarHBondContact O-N 2.97Å; K687-R690 PolarHBondContact O-N 3.21Å; I688-R690 VanDerWaalsContact C-N 3.33Å; I688-R690 PolarHBondContact O-N 2.85Å; R690-R694 WeakPolarHBondContact O-CB 3.33Å; R690-R694 WeakPolarHBondContact O-CG 3.14Å; R690-R694 PolarHBondContact O-N 3.41Å
691L97.4Very high94Very high123 Ų123100.1 Ų100.164%0.64451%0.514SS*.Hα-helixtrans-65.2-47.5176.4-178.660.6000111.2K687 I688 K693 R694 F695K687-L691 WeakPolarHBondContact O-CB 3.37Å; K687-L691 PolarHBondContact O-N 2.97Å; I688-L691 CarbonylContact O-C 3.57Å; I688-L691 WeakPolarHBondContact O-CB 3.44Å; I688-L691 PolarHBondContact O-N 2.9Å; L691-K693 PolarHBondContact O-N 2.91Å; L691-R694 CarbonylContact O-C 3.56Å; L691-R694 PolarHBondContact O-N 3.46Å; L691-R694 VanDerWaalsContact O-N 3.15Å; L691-F695 WeakPolarHBondContact O-CB 3.34Å; L691-F695 PolarHBondContact O-N 2.88Å
692T96.4Very high93.6Very high91 Ų91100.2 Ų100.256%0.55852%0.515SS*.Hα-helixtrans-59.2-43.9175.6-58.50000111.6I688 A689 R694 F695 G696I688-T692 PolarHBondContact O-N 3.14Å; I688-T692 PolarHBondContact O-OG1 2.88Å; I688-T692 VanDerWaalsContact O-OG1 3.13Å; A689-T692 PolarHBondContact O-N 3.45Å; T692-R694 VanDerWaalsContact C-N 3.35Å; T692-R694 PolarHBondContact O-N 2.87Å; T692-F695 PolarHBondContact O-N 3.44Å; T692-G696 PolarHBondContact O-N 3.46Å
693K96Very high92.9Very high174 Ų174102.2 Ų102.276%0.75752%0.518SS*.Hα-helixtrans-62.7-38.8175.2-171.9167.2-175168.30112.4A689 L691 A697A689-K693 WeakPolarHBondContact O-CB 3.42Å; A689-K693 PolarHBondContact O-N 3.47Å; L691-K693 PolarHBondContact O-N 2.91Å; K693-A697 WeakPolarHBondContact O-CB 3.33Å; K693-A697 PolarHBondContact O-N 3.34Å; K693-A697 VanDerWaalsContact O-N 3.09Å
694R94.4Very high92Very high202 Ų202104.8 Ų104.876%0.76253%0.527SS*.Hα-helixtrans-70.7-35.9175.1-69.5-111.9-80.6-177-6.4112.4R690 L691 T692 A698R690-R694 WeakPolarHBondContact O-CB 3.33Å; R690-R694 WeakPolarHBondContact O-CG 3.14Å; R690-R694 PolarHBondContact O-N 3.41Å; L691-R694 CarbonylContact O-C 3.56Å; L691-R694 PolarHBondContact O-N 3.46Å; L691-R694 VanDerWaalsContact O-N 3.15Å; T692-R694 VanDerWaalsContact C-N 3.35Å; T692-R694 PolarHBondContact O-N 2.87Å; R694-A698 VanDerWaalsContact O-CB 3.29Å; R694-A698 WeakPolarHBondContact O-CB 3.39Å; R694-A698 PolarHBondContact O-N 2.86Å
695F94.1Very high90.7Very high151 Ų151109.2 Ų109.266%0.66254%0.537SS*.Hα-helixtrans-71.8-39.1177.1-165.3-96.9000111.9L691 T692 A698 K699L691-F695 WeakPolarHBondContact O-CB 3.34Å; L691-F695 PolarHBondContact O-N 2.88Å; T692-F695 PolarHBondContact O-N 3.44Å; F695-A698 PolarHBondContact O-N 3.46Å; F695-K699 WeakPolarHBondContact O-CB 3.29Å; F695-K699 PolarHBondContact O-N 2.95Å
696G93Very high89.2Confident23 Ų23110.8 Ų110.824%0.23755%0.545CS..Hα-helixtrans-57.3-57.416900000111.4T692 A698 K699 D700T692-G696 PolarHBondContact O-N 3.46Å; G696-A698 VanDerWaalsContact C-N 3.27Å; G696-A698 PolarHBondContact O-N 3.46Å; G696-K699 WeakPolarHBondContact O-CA 3.37Å; G696-K699 WeakPolarHBondContact O-CB 3.45Å; G696-K699 PolarHBondContact O-N 3.33Å; G696-D700 VanDerWaalsContact O-CG 3.32Å; G696-D700 PolarHBondContact O-N 3.5Å
697A87.9Confident87.4Confident62 Ų62116.5 Ų116.551%0.51257%0.566SS.*Hα-helixtrans-56.7-37.717800000113.5K693 D700 D701K693-A697 WeakPolarHBondContact O-CB 3.33Å; K693-A697 PolarHBondContact O-N 3.34Å; K693-A697 VanDerWaalsContact O-N 3.09Å; A697-D700 PolarHBondContact O-N 2.85Å; A697-D701 PolarHBondContact O-N 2.82Å
698A87.3Confident85.2Confident60 Ų60115.8 Ų115.850%0.49657%0.573SS.*Hα-helixtrans-69.7-36.617500000113R694 F695 G696 D700 L702R694-A698 VanDerWaalsContact O-CB 3.29Å; R694-A698 WeakPolarHBondContact O-CB 3.39Å; R694-A698 PolarHBondContact O-N 2.86Å; F695-A698 PolarHBondContact O-N 3.46Å; G696-A698 VanDerWaalsContact C-N 3.27Å; G696-A698 PolarHBondContact O-N 3.46Å; A698-D700 VanDerWaalsContact C-N 3.32Å; A698-L702 VanDerWaalsContact O-CB 3.29Å; A698-L702 WeakPolarHBondContact O-CB 3.46Å; A698-L702 PolarHBondContact O-N 3Å
699K87.6Confident83.3Confident110 Ų110116.3 Ų116.348%0.47858%0.583SS.*Hα-helixtrans-66.1-36.2173.3-170.9-17568.8177.10111.4F695 G696 L702 K703F695-K699 WeakPolarHBondContact O-CB 3.29Å; F695-K699 PolarHBondContact O-N 2.95Å; G696-K699 WeakPolarHBondContact O-CA 3.37Å; G696-K699 WeakPolarHBondContact O-CB 3.45Å; G696-K699 PolarHBondContact O-N 3.33Å; K699-L702 PolarHBondContact O-N 2.79Å; K699-K703 WeakPolarHBondContact O-CG 3.29Å; K699-K703 PolarHBondContact O-N 3.13Å
700D87.7Confident81.4Confident71 Ų71119.5 Ų119.538%0.3860%0.599SS.*Hα-helixtrans-79.6-30.9-179.5-59.7-33.9000112.4G696 A697 A698 K704G696-D700 VanDerWaalsContact O-CG 3.32Å; G696-D700 PolarHBondContact O-N 3.5Å; A697-D700 PolarHBondContact O-N 2.85Å; A698-D700 VanDerWaalsContact C-N 3.32Å; D700-K704 WeakPolarHBondContact O-CG 3.49Å; D700-K704 PolarHBondContact O-N 3.43Å
701D83.6Confident79Confident90 Ų90119.4 Ų119.448%0.48161%0.61SS.*Hα-helixtrans-65.7-42.6165.4-173.472.4000111.6A697 K703 K704 R705A697-D701 PolarHBondContact O-N 2.82Å; D701-K703 VanDerWaalsContact C-N 3.35Å; D701-K703 PolarHBondContact O-N 2.95Å; D701-K704 PolarHBondContact O-N 3.15Å; D701-R705 WeakPolarHBondContact O-CB 3.4Å; D701-R705 WeakPolarHBondContact O-CG 3.49Å; D701-R705 PolarHBondContact O-N 3.44Å; D701-R705 IonicContact OD2-NE 3.46Å
702L86.3Confident76.6Confident113 Ų113118.5 Ų118.559%0.59261%0.611SS**Hα-helixtrans-59.2-44.2175.6178.961.8000111.7A698 K699 R705 Q706A698-L702 VanDerWaalsContact O-CB 3.29Å; A698-L702 WeakPolarHBondContact O-CB 3.46Å; A698-L702 PolarHBondContact O-N 3Å; K699-L702 PolarHBondContact O-N 2.79Å; L702-R705 PolarHBondContact O-N 3.06Å; L702-Q706 WeakPolarHBondContact O-CB 3.36Å; L702-Q706 PolarHBondContact O-N 2.92Å
703K82.2Confident74.4Confident116 Ų116120.1 Ų120.150%0.50462%0.624SS.*Hα-helixtrans-58.6-51.9172-77.9176.7169.3-168.80111.8K699 D701 R705 Q706 E707K699-K703 WeakPolarHBondContact O-CG 3.29Å; K699-K703 PolarHBondContact O-N 3.13Å; D701-K703 VanDerWaalsContact C-N 3.35Å; D701-K703 PolarHBondContact O-N 2.95Å; K703-R705 PolarHBondContact O-N 3.09Å; K703-Q706 CarbonylContact O-C 3.56Å; K703-Q706 WeakPolarHBondContact O-CA 3.4Å; K703-Q706 WeakPolarHBondContact O-CB 3.49Å; K703-Q706 PolarHBondContact O-N 3.26Å; K703-E707 WeakPolarHBondContact O-CB 3.49Å; K703-E707 PolarHBondContact O-N 3.22Å
704K76.8Confident71.6Confident150 Ų150119.8 Ų119.865%0.65263%0.629SS**Hα-helixtrans-60.6-32-179.8-74.4174.8179.2-177.40113.2D700 D701D700-K704 WeakPolarHBondContact O-CG 3.49Å; D700-K704 PolarHBondContact O-N 3.43Å; D701-K704 PolarHBondContact O-N 3.15Å
705R69.8Low69.2Low183 Ų183115.4 Ų115.469%0.69163%0.629SS**Hα-helixtrans-74-25.3171.7-77.4-176.1161.7-78.8-2.2114.3D701 L702 K703 S708D701-R705 WeakPolarHBondContact O-CB 3.4Å; D701-R705 WeakPolarHBondContact O-CG 3.49Å; D701-R705 PolarHBondContact O-N 3.44Å; D701-R705 IonicContact OD2-NE 3.46Å; L702-R705 PolarHBondContact O-N 3.06Å; K703-R705 PolarHBondContact O-N 3.09Å; R705-S708 PolarHBondContact O-OG 2.84Å
706Q66.3Low67.1Low161 Ų161114.1 Ų114.175%0.75264%0.636SS**Hα-helixtrans-82.7-26.2175.1-168.8171.38.500112L702 K703L702-Q706 WeakPolarHBondContact O-CB 3.36Å; L702-Q706 PolarHBondContact O-N 2.92Å; K703-Q706 CarbonylContact O-C 3.56Å; K703-Q706 WeakPolarHBondContact O-CA 3.4Å; K703-Q706 WeakPolarHBondContact O-CB 3.49Å; K703-Q706 PolarHBondContact O-N 3.26Å
707E60.4Low64.1Low154 Ų154116.8 Ų116.872%0.7266%0.663SS**SBendtrans-82.9-12-177.9-165.1166.9-164.500113.9K703 P709K703-E707 WeakPolarHBondContact O-CB 3.49Å; K703-E707 PolarHBondContact O-N 3.22Å; E707-P709 WeakPolarHBondContact O-CD 3.33Å
708S51.7Low62.2Low81 Ų81123.4 Ų123.457%0.56668%0.68SS**SBendtrans-93103.8175.262.90000112.4R705R705-S708 PolarHBondContact O-OG 2.84Å
709P57.8Low60.7Low107 Ų107125.9 Ų125.970%0.69569%0.691SS**  trans-73.9151.8179.430.5-36.3000112.8E707 N711E707-P709 WeakPolarHBondContact O-CD 3.33Å; P709-N711 PolarHBondContact O-N 3.44Å
710P55.8Low58.1Low127 Ų127125 Ų12583%0.82570%0.704SS**  trans-79.3102.6-177.531.3-34.4000112.3
711N45.7Very low55.7Low158 Ų158128.2 Ų128.285%0.84572%0.721SS**PPolyproline II helixtrans-68.5128166-99.2-42.2000110.6P709P709-N711 PolarHBondContact O-N 3.44Å
712P48.4Very low53.3Low104 Ų104130.5 Ų130.568%0.67573%0.734SS**PPolyproline II helixtrans-79.1132-17530.2-34.3000112.3I714P712-I714 PolarHBondContact O-N 2.97Å
713P49.4Very low51.2Low126 Ų126131.3 Ų131.382%0.81874%0.743SS**PPolyproline II helixtrans-73.9120.6174.229.1-33000111.1S715P713-S715 PolarHBondContact O-N 2.9Å
714I37.6Very low48.9Very low167 Ų167133.3 Ų133.386%0.85676%0.76SS**PPolyproline II helixtrans-69.5127.1173-63.2172.1000109.3P712P712-I714 PolarHBondContact O-N 2.97Å
715S44.8Very low47.1Very low110 Ų110129.6 Ų129.677%0.76975%0.753SS**  trans-109.8140.9178.6178.30000111.9P713P713-S715 PolarHBondContact O-N 2.9Å
716P49Very low45.4Very low124 Ų124128.4 Ų128.481%0.80576%0.76SS**  trans-136.6141.8145.535.6-22.2000113
717G30.5Very low44.3Very low79 Ų79128.4 Ų128.481%0.81477%0.765SS**  trans158.530.1172.300000120
718K46.8Very low43.5Very low201 Ų201128 Ų12887%0.87477%0.768SS**  trans-58.7173.5178.9-137.4-168.4-179.9-1800113.9
719P57.6Low42.7Very low112 Ų112132.1 Ų132.173%0.72778%0.78SS**  -129.9-171.6-79.944.7-30.4000113.7
720A32.4Very low42.2Very low90 Ų90132.6 Ų132.674%0.74478%0.782SS**  trans-157.9129.614900000113.6
721N36.4Very low41Very low139 Ų139135.4 Ų135.474%0.74378%0.777SS**  trans21.5152.5148.4-69.740.5000122.8
722D34Very low41Very low139 Ų139137.6 Ų137.674%0.74377%0.773SS**  cis-148.4173.29.5-131.4-40000114.9
723T40.9Very low40.6Very low129 Ų129140.1 Ų140.179%0.79178%0.781SS**  trans-95.1133.4-168.6-53.70000114.1
724N35.1Very low40.5Very low158 Ų158139 Ų13985%0.84578%0.783SS**  trans-148.6147.2139.7-160.510.2000112.2
725S37.7Very low41Very low72 Ų72133.3 Ų133.350%0.50377%0.765SS.*  trans-90140.5179169.70000111.3
726N35.6Very low41.7Very low159 Ų159134.1 Ų134.185%0.8577%0.766SS**  -171144.4112.7-86.2-20.1000111.4
727N43.2Very low41.8Very low160 Ų160132 Ų13286%0.85675%0.75SS**  trans-85165.5-169.7-80.8-57.2000113.9
728N43.1Very low43.1Very low147 Ų147134.7 Ų134.779%0.78674%0.736SS**  trans74.988.3175.6-168.118.8000116.6
729M34.2Very low43.7Very low167 Ų167133.1 Ų133.182%0.82373%0.732SS**  trans-139.7131.5136.9-170.457.8179.800110.1Y731M729-Y731 PolarHBondContact O-N 3Å
730T47.4Very low43.7Very low117 Ų117132.6 Ų132.672%0.71872%0.722SS**  trans-57.1129.2-178.6-50.80000111.9
731Y31.6Very low45Very low186 Ų186132.4 Ų132.473%0.72971%0.708SS**  trans-126.4129.7-178.5-138.8-123000114.5M729M729-Y731 PolarHBondContact O-N 3Å
732R45.8Very low46Very low203 Ų203133.7 Ų133.777%0.76671%0.71SS**  trans59.280.6167-67.5-176.6177.5-165.9-2.9117.9A734R732-A734 PolarHBondContact O-N 2.96Å
733N39.6Very low46.8Very low157 Ų157132.1 Ų132.184%0.8471%0.71SS**  trans-43.2131.4136.9-73.4-71.3000111.4
734A46.8Very low47.4Very low103 Ų103135.5 Ų135.585%0.85171%0.714SS**  trans-113.456.1163.400000109.5R732R732-A734 PolarHBondContact O-N 2.96Å
735G49.6Very low48.1Very low48 Ų48137.9 Ų137.950%0.49571%0.711SS.*  trans-110.725.7-16800000115.3V737 R738G735-V737 PolarHBondContact O-N 3.44Å; G735-R738 PolarHBondContact O-N 3.44Å
736T58.8Low48Very low126 Ų126141.8 Ų141.877%0.77373%0.726SS**THydrogen-bonded Turntrans-61-10.1-161.3-310000116
737V51.1Low48.4Very low80 Ų80141.2 Ų141.249%0.48573%0.728SS.*THydrogen-bonded Turntrans-87.5-24.6-174.4-169.60000113.5G735 S942G735-V737 PolarHBondContact O-N 3.44Å; V737-S942 WeakPolarHBondContact CG1-O 3.43Å
738R58.4Low47.9Very low135 Ų135138.6 Ų138.651%0.50972%0.722SS.*THydrogen-bonded Turntrans-80.9-34.7-177.9-75.7-172.3-177.6-114.63.1114.1G735 L740 L741 S943 S944G735-R738 PolarHBondContact O-N 3.44Å; R738-L740 VanDerWaalsContact C-N 3.27Å; R738-L740 PolarHBondContact O-N 2.97Å; R738-L741 PolarHBondContact O-N 3.4Å; R738-S943 VanDerWaalsContact CG-OG 3.29Å; R738-S943 WeakPolarHBondContact CG-OG 3.2Å; R738-S943 PolarHBondContact NH1-O 3.04Å; R738-S943 VanDerWaalsContact NH1-O 3.07Å; R738-S943 PolarHBondContact NH2-O 2.92Å; R738-S944 VanDerWaalsContact CZ-O 3.26Å; R738-S944 PolarHBondContact NH1-O 3.21Å; R738-S944 PolarHBondContact NH2-O 3.47Å
739Q58.9Low47.4Very low168 Ų168140.5 Ų140.579%0.78573%0.726SS**THydrogen-bonded Turntrans-76.2-11.1-171.4-160.2166.611.900114.2
740L58.2Low47.3Very low102 Ų102135.9 Ų135.953%0.53472%0.722SS.*THydrogen-bonded Turntrans-83.4-12.4178.9-170.256000113.5R738 L939R738-L740 VanDerWaalsContact C-N 3.27Å; R738-L740 PolarHBondContact O-N 2.97Å; L740-L939 HydrophobicContact CD2-CD2 4.46Å
741L58.4Low47Very low85 Ų85136.4 Ų136.445%0.44573%0.727SS.*SBendtrans-88.1-35.2-171.8-92.3157.9000115.2R738 S941R738-L741 PolarHBondContact O-N 3.4Å; L741-S941 WeakPolarHBondContact CD2-O 3.46Å
742E56.9Low47.5Very low166 Ų166133.2 Ų133.278%0.77673%0.729SS**SBendtrans-88.9-8.8-162.1-59.2-172.8136.700113.7K744E742-K744 PolarHBondContact O-N 3.06Å
743S51.8Low47.2Very low107 Ų107129.5 Ų129.575%0.74873%0.731SS**  trans-91.732.1-170.1-57.20000115.1
744K53.8Low46.8Very low200 Ų200126 Ų12687%0.8772%0.719SS**  trans-129.744.1175.8-130-174.1-174.7-171.40115.4E742E742-K744 PolarHBondContact O-N 3.06Å
745R49Very low46.2Very low208 Ų208130.2 Ų130.279%0.78572%0.718SS**SBendtrans-142.6143.8160.158.4-172.4176.196.70.1112.2
746N36.1Very low45.3Very low154 Ų154136.7 Ų136.782%0.82474%0.736SS**  trans79.5143.5178.6-57.7-2.8000117.4
747V42.9Very low43.9Very low146 Ų146136.6 Ų136.689%0.88574%0.735SS**  trans-114.6138.6-175.2170.80000109.1
748S32.9Very low43.7Very low105 Ų105138.3 Ų138.373%0.73475%0.748SS**  trans-168.1109.3153.4-1720000111.6
749E33.2Very low42.5Very low188 Ų188137.8 Ų137.888%0.87976%0.759SS**  14.6124.1123.9-165.8168.6-160.700116
750G31.7Very low41.2Very low70 Ų70136.3 Ų136.372%0.72276%0.757SS**  cis152.7-16524.300000106.3
751P41.3Very low39.8Very low127 Ų127136.9 Ų136.983%0.82577%0.765SS**  cis-121.2179.6-24.542.6-28.6000113.1
752P41.8Very low38.5Very low120 Ų120138.8 Ų138.878%0.77978%0.78SS**  trans-107.2156.3177.138.5-32.4000115.3
753P39.3Very low37.3Very low125 Ų125135.5 Ų135.581%0.81278%0.775SS**  trans-94.1140.6170.935-32.3000115
754S31.7Very low36.5Very low84 Ų84135.7 Ų135.759%0.58778%0.776SS**  trans-42.9162.7160.155.20000116.3
755F33.8Very low35.2Very low191 Ų191130.7 Ų130.784%0.83877%0.773SS**  cis-138.7-175.219.7-73.2-83.5000109.6
756Q32Very low34.4Very low184 Ų184125.2 Ų125.286%0.8677%0.766SS**  cis-162.8167.128.5-159.217094.700111.4
757T29.7Very low34.3Very low123 Ų123126.8 Ų126.876%0.75577%0.768SS**  trans-130.8168.7-174-26.40000111.5
758P45.3Very low33.8Very low117 Ų117123.8 Ų123.876%0.7676%0.758SS**  -128.9139.6125.66.714.9000115.2
759V33.6Very low33.6Very low123 Ų123124.7 Ų124.775%0.74576%0.76SS**  trans-11149.2153.3-71.50000118.6
760N31.5Very low33.3Very low137 Ų137120.6 Ų120.673%0.73375%0.752SS**  cis-156.2-170.710.8-131.2-23.3000109
761T30.2Very low33.2Very low115 Ų115123.9 Ų123.971%0.70676%0.758SS**  cis-165.5160.18.44.50000105.7
762V30.1Very low32.5Very low125 Ų125122.2 Ų122.276%0.75876%0.755SS**  cis-159.9177.1-7.477.90000110
763S30.7Very low31.8Very low97 Ų97123 Ų12368%0.67876%0.757SS**  trans-10.6156.8165.6-700000125.2
764S36Very low31.3Very low110 Ų110123.2 Ų123.277%0.76976%0.756SS**  cis-178.2158.3-16.9-94.70000113.3
765A27Very low31.1Very low96 Ų96124.4 Ų124.479%0.79376%0.764SS**  trans105.6141.4147.500000120.2
766S31.8Very low30.8Very low92 Ų92121 Ų12164%0.64376%0.764SS**  cis-175.1143.6-2256.40000115.2
767H34Very low30.7Very low188 Ų188121 Ų12187%0.8776%0.764SS**  trans66.1156.8155.2-63.5-51.1000119.8
768A31.9Very low31.3Very low82 Ų82120.3 Ų120.368%0.67876%0.762SS**  cis-174.9172.1-9.800000107.7
769T29.7Very low30.4Very low125 Ų125123.1 Ų123.177%0.76776%0.762SS**  cis-164.3159.1-1222.60000106.6
770S27.3Very low30Very low101 Ų101123.4 Ų123.471%0.70676%0.758SS**  cis78133.745.3-37.80000114.3
771T29.6Very low29.7Very low139 Ų139124.2 Ų124.285%0.85376%0.758SS**  cis-168-179.30.23.20000112.8
772A26.4Very low29.4Very low92 Ų92123.9 Ų123.976%0.7676%0.756SS**  trans94.8142.3163.300000119.6
773V27.4Very low29.1Very low137 Ų137123.3 Ų123.383%0.8376%0.757SS**  cis123.9132.6-8.7173.60000114.6
774V27.8Very low28.9Very low130 Ų130122.8 Ų122.879%0.78876%0.759SS**  trans155.7112.9140.9164.30000114.7
775S27.1Very low28.5Very low108 Ų108123.5 Ų123.576%0.75576%0.759SS**  trans46.7141.3137.4-149.50000126.9
776S27.9Very low28.7Very low119 Ų119124.8 Ų124.883%0.83276%0.762SS**  trans101.2144141.2770000122.1
777Q30.8Very low28.4Very low184 Ų184124 Ų12486%0.8677%0.769SS**  trans-127.8170.9176.7-116.3-166.8-45.900106.8
778P41Very low28Very low109 Ų109121 Ų12171%0.70877%0.768SS**  cis-147.2175.324.745.5-26.6000118.6
779K25.8Very low28Very low176 Ų176124.5 Ų124.577%0.76578%0.775SS**  trans80.6128.9138.7-162.6165.4-176.5177.70122.2
780L25.7Very low28.9Very low129 Ų129124.2 Ų124.268%0.67578%0.776SS**  trans69.7111.5156.1-73.6169.2000122.9
781Q25.6Very low28.8Very low154 Ų154123.9 Ų123.972%0.7278%0.779SS**  72.1123.2116.1-153.7172.6-10.500123
782T24.6Very low28.9Very low109 Ų109121.8 Ų121.867%0.66978%0.775SS**  trans63110.3153.548.80000123.2
783S23.1Very low29.8Very low112 Ų112122.9 Ų122.978%0.78378%0.775SS**  72.9142.8115.2-53.60000124
784A27.3Very low29.9Very low86 Ų86124.5 Ų124.571%0.71178%0.778SS**  trans91105.5138.100000121.9
785T26.8Very low30.1Very low126 Ų126126 Ų12677%0.77378%0.781SS**  97.8131.9112.9-64.80000121.8
786S30.3Very low30.2Very low122 Ų122126.8 Ų126.885%0.85378%0.783SS**  trans65143.2161.9-68.90000119.5
787G25.9Very low30.4Very low76 Ų76125.2 Ų125.278%0.78478%0.778SS**  cis144.2158.4-5.800000113.2
788S25.6Very low30.8Very low124 Ų124121.9 Ų121.987%0.86777%0.772SS**  trans-171.8148.2144.3-167.20000112.7
789L32.3Very low30Very low156 Ų156121.9 Ų121.982%0.81777%0.774SS**  trans-95.3-166.7166.8-74171.5000108.4
790P48.2Very low30.4Very low120 Ų120119.7 Ų119.778%0.77978%0.776SS**  cis-153.6-170.11946.3-23.8000120.6
791A26.2Very low30.8Very low93 Ų93117.1 Ų117.177%0.76977%0.773SS**  trans77.2123.3163.600000117.8
792A31.2Very low31Very low95 Ų95116.3 Ų116.379%0.78578%0.779SS**  cis87.7158.218.300000116
793P45.8Very low31.2Very low115 Ų115116.3 Ų116.375%0.74778%0.778SS**  cis-134.7172.5-2335.9-18.8000114.8
794L29.8Very low31.5Very low171 Ų171117.1 Ų117.190%0.89578%0.778SS**  170162.5128.8-90.4163.4000112.6
795L30.5Very low31.6Very low163 Ų163116.7 Ų116.785%0.85378%0.775SS**  trans-125.3167-172.2-77.3175.8000109.7
796P29.1Very low31.8Very low124 Ų124117 Ų11781%0.80578%0.777SS**  cis-146.1-174.935.643.2-21.9000118.6
797A33.1Very low31.6Very low86 Ų86116.9 Ų116.971%0.71177%0.771SS**  trans-85-175.4166.200000110.9
798P38.8Very low31.7Very low113 Ų113122.4 Ų122.473%0.73478%0.777SS**  cis-143.2-158.112.844.3-22.7000116
799S24.4Very low31.8Very low109 Ų109122.3 Ų122.376%0.76277%0.77SS**  trans73.3158.5169.3-53.40000115.3
800T34.2Very low32.3Very low130 Ų130120.5 Ų120.580%0.79877%0.768SS**  cis-140.6139.822.631.80000111
801A34.9Very low31.3Very low75 Ų75121 Ų12162%0.6277%0.774SS**  75.6147.486.700000114.9V803A801-V803 HydrophobicContact CB-CB 4.37Å; A801-V803 HydrophobicContact CB-CG2 3.51Å
802T29.2Very low31.3Very low138 Ų138119.2 Ų119.285%0.84777%0.766SS**  cis-75.2129.66.5-15.70000112.2
803V29.2Very low31.4Very low108 Ų108121.5 Ų121.566%0.65577%0.77SS**  cis72.8121.444.5172.30000110.3A801A801-V803 HydrophobicContact CB-CB 4.37Å; A801-V803 HydrophobicContact CB-CG2 3.51Å
804V29.6Very low30.7Very low129 Ų129122.2 Ų122.278%0.78278%0.775SS**  -131.4131.650.4173.80000115.6
805A29.5Very low30.7Very low78 Ų78122.1 Ų122.165%0.64577%0.77SS**  trans29.9151.2137.700000123.4
806T29.7Very low30.9Very low132 Ų132120.2 Ų120.281%0.8177%0.767SS**  cis-161.7142.7-9.111.30000113.5
807T27.2Very low31.1Very low120 Ų120120.2 Ų120.274%0.73677%0.765SS**  trans-9.6136.215952.60000123
808Q26.3Very low31.1Very low192 Ų192123.9 Ų123.990%0.89777%0.771SS**  -154.4-172.4104.6-125.2178.25300113.3
809V29.1Very low30.7Very low121 Ų121123.3 Ų123.373%0.73377%0.77SS**  trans-146.2178.4-150-144.80000111.4
810P42.8Very low31.3Very low119 Ų119125.9 Ų125.977%0.77377%0.774SS**  -116.3159.5-85.839.2-25.6000116.8
811S27.5Very low31.5Very low129 Ų129127.8 Ų127.890%0.90277%0.774SS**  trans-168.2154.6143-150.90000105.8
812G25.2Very low31.6Very low57 Ų57130.1 Ų130.159%0.58878%0.783SS**  cis132.7104.928.700000107
813T33.1Very low32Very low143 Ų143130.5 Ų130.588%0.87778%0.778SS**  trans36.399.2170.351.90000119.2
814P31.1Very low32.6Very low130 Ų130130.8 Ų130.884%0.84478%0.783SS**  trans-83.5126164.132.4-30.7000112
815Q30.7Very low33.2Very low169 Ų169131.1 Ų131.179%0.7979%0.785SS**  trans-72.4153.1152.8-67.5171.9-50.600109.2T817Q815-T817 PolarHBondContact O-N 3.48Å
816P34.4Very low33.8Very low122 Ų122134.2 Ų134.279%0.79279%0.789SS**  trans-77.184.3171.832.1-33.9000110.9I818P816-I818 PolarHBondContact O-N 3.22Å; P816-I818 VanDerWaalsContact O-N 3.17Å
817T32.2Very low34.2Very low125 Ų125135.3 Ų135.377%0.76779%0.789SS**  trans-73.499.8165-54.40000108.8Q815 S819Q815-T817 PolarHBondContact O-N 3.48Å; T817-S819 PolarHBondContact O-N 2.89Å
818I34.1Very low34.7Very low162 Ų162137.5 Ų137.583%0.83179%0.791SS**  trans-84.7100.4175.4-52.2177.7000108.1P816P816-I818 PolarHBondContact O-N 3.22Å; P816-I818 VanDerWaalsContact O-N 3.17Å
819S30.7Very low35.5Very low102 Ų102133.7 Ų133.771%0.71378%0.78SS**  trans-101158.3169.9-163.50000111.4T817T817-S819 PolarHBondContact O-N 2.89Å
820L37.7Very low36Very low163 Ų163133.5 Ų133.585%0.85378%0.782SS**  trans-65139.4-170.1-53.9168.1000113
821Q37.5Very low35.5Very low169 Ų169133.5 Ų133.579%0.7978%0.779SS**  -178145.5117.5-99.2172.911.300111.8
822P36.9Very low36Very low125 Ų125132 Ų13281%0.81278%0.775SS**  trans-86.9133.9172.333.7-31.4000111.6
823L36.7Very low36.3Very low145 Ų145135.3 Ų135.376%0.75978%0.783SS**  trans-118.4148.7165.2-86.782.5000110.2
824P43.7Very low36.3Very low115 Ų115135 Ų13575%0.74778%0.781SS**  trans-74.4144.6-171.129.4-35.7000113.5I826P824-I826 PolarHBondContact O-N 2.91Å
825V40.5Very low36.2Very low136 Ų136134.5 Ų134.582%0.82478%0.781SS**  trans-82.9107.61761790000110
826I42.8Very low36.2Very low143 Ų143135.6 Ų135.673%0.73379%0.786SS**  trans-85.1112.5174.2-60.6176.7000109.6P824 H828P824-I826 PolarHBondContact O-N 2.91Å; I826-H828 PolarHBondContact O-N 2.67Å
827L37.3Very low36.6Very low154 Ų154135.4 Ų135.481%0.80679%0.785SS**  trans-73.3108.8170.7-82162.4000110.3V829L827-V829 PolarHBondContact O-N 3.42Å
828H39.1Very low36.7Very low167 Ų167138.8 Ų138.877%0.77379%0.792SS**  trans-86.795.7-179.6-152.698.5000111I826 P830I826-H828 PolarHBondContact O-N 2.67Å; H828-P830 WeakPolarHBondContact O-CD 3.4Å
829V43Very low36.7Very low111 Ų111139.2 Ų139.267%0.67380%0.795SS**  trans-87.2116.7174.8-178.20000109.5L827 V831L827-V829 PolarHBondContact O-N 3.42Å; V829-V831 HydrophobicContact CG1-CG2 4.22Å; V829-V831 PolarHBondContact O-N 2.91Å
830P38.6Very low36.9Very low118 Ų118142.7 Ų142.777%0.76681%0.805SS**  trans-76.4109.1-179.1-13.529.9000111.3H828H828-P830 WeakPolarHBondContact O-CD 3.4Å
831V33.8Very low36.9Very low119 Ų119143.8 Ų143.872%0.72181%0.805SS**  trans-117.397.5170.5-177.90000108.8V829 V833V829-V831 HydrophobicContact CG1-CG2 4.22Å; V829-V831 PolarHBondContact O-N 2.91Å; V831-V833 HydrophobicContact CG1-CG2 4.02Å
832A36Very low36.5Very low98 Ų98140.3 Ų140.381%0.8180%0.8SS**  trans-92.3108.7178.300000110.6
833V33.1Very low36.2Very low125 Ų125143.3 Ų143.376%0.75880%0.802SS**  trans-133.4109168.4-157.90000108.3V831V831-V833 HydrophobicContact CG1-CG2 4.02Å
834T33.2Very low36.3Very low136 Ų136142.7 Ų142.783%0.83481%0.807SS**  trans-118.8114.6-175.955.20000111.1
835S28.5Very low35.8Very low120 Ų120141 Ų14184%0.83981%0.81SS**  trans-155.796.5168.2540000112.7
836Q30.4Very low35.5Very low192 Ų192141.5 Ų141.590%0.89781%0.814SS**  trans-131.4135.3159.4-145.1-179.312.500107.4
837P42.4Very low35Very low119 Ų119142.2 Ų142.277%0.77382%0.819SS**  trans-91.4149.3-165.834.6-35.1000113
838Q34.7Very low34.8Very low196 Ų196141 Ų14192%0.91682%0.817SS**  trans-129.7143.2156.7-75-169-19.100110.4
839L34.7Very low34.4Very low170 Ų170139.7 Ų139.789%0.8982%0.821SS**  trans-85.2137-178.4-68.9160.8000110.4
840L34.5Very low33.7Very low176 Ų176141.1 Ų141.192%0.92183%0.825SS**  trans-161.4144.3142.5-108.1160.4000109.6
841Q37.1Very low33.5Very low185 Ų185143.1 Ų143.186%0.86482%0.824SS**  trans-98.8143.3-175.3-60.8163.8-50.800110.1
842S29Very low33.9Very low97 Ų97142.5 Ų142.568%0.67882%0.822SS**  155107.9124.866.20000115
843H31.8Very low33.8Very low187 Ų187143.3 Ų143.387%0.86682%0.822SS**  trans72.1163.4140.5-55.3-40.4000118.6
844P39.2Very low33.8Very low133 Ų133140.1 Ų140.186%0.86482%0.815SS**  trans-122.4168.4-134.542.5-33.9000117.9
845G33.2Very low33.7Very low78 Ų78141.2 Ų141.280%0.80482%0.815SS**  trans-168.8151.1169.900000113.8
846T33.1Very low33.9Very low148 Ų148142 Ų14291%0.90882%0.815SS**  trans-101.5158.9-169.5-62.10000113.8
847L32.3Very low34.2Very low158 Ų158140.1 Ų140.183%0.82781%0.806SS**  trans-69.9168.5-176.8-64.9160.5000116.5
848V33Very low33.7Very low129 Ų129143.6 Ų143.678%0.78281%0.81SS**  trans73.4111.6156.8-172.30000119.1
849T30.7Very low33.6Very low138 Ų138141.2 Ų141.285%0.84780%0.802SS**  -140.5171.7115.164.90000110.3
850N29.7Very low33.3Very low141 Ų141138.1 Ų138.175%0.75479%0.794SS**  trans-121.5170.6176.8-129.5-70000109.6
851Q33.1Very low33Very low161 Ų161135.7 Ų135.775%0.75279%0.786SS**  trans70.4161.2163.2-74.3-65.7-7.200116.3
852P42.9Very low32.9Very low105 Ų105134.9 Ų134.968%0.68278%0.782SS**  -129.8-169.1-11047.6-35.6000115.7
853S34.4Very low33Very low115 Ų115134.9 Ų134.980%0.80478%0.782SS**  trans74.9114.7165.7-161.50000116.3
854G32.8Very low32.8Very low59 Ų59134.3 Ų134.361%0.60878%0.78SS**  trans-76.9144.4162.700000111.6
855N31Very low33.1Very low158 Ų158132.8 Ų132.885%0.84577%0.77SS**  -171.9158.5109.6-93.2-10.1000111.4
856V32.3Very low32.9Very low138 Ų138134.2 Ų134.284%0.83676%0.764SS**  trans77.1126.4177-1660000114.9
857E36.3Very low32.9Very low151 Ų151133 Ų13371%0.70676%0.756SS**  trans-72.8158.2174.8-59.1161.592.800111.6
858F31.4Very low32.8Very low193 Ų193131.1 Ų131.185%0.84676%0.755SS**  -168.5159.5108-94.7-59.7000111.7
859I32.6Very low32.6Very low146 Ų146128.2 Ų128.275%0.74975%0.752SS**  trans-96.2135.3-167.8-55.9154.1000110.2
860S28.1Very low32.7Very low104 Ų104129 Ų12973%0.72775%0.75SS**  trans174.2124.6131.1-850000116.5
861V28.8Very low32.8Very low126 Ų126127.5 Ų127.576%0.76475%0.746SS**  trans40.8140.2137.7-144.20000121.6
862Q35.5Very low32.9Very low167 Ų167129.1 Ų129.178%0.7875%0.751SS**  125.493.8124.9-153.6147.311.400118.4
863S30.9Very low32.3Very low97 Ų97131.4 Ų131.468%0.67876%0.757SS**  trans39.1119.9142.964.50000122.2
864Q28.3Very low32.7Very low176 Ų176130.8 Ų130.882%0.82275%0.751SS**  -8.5169120.9-86.5-170.27.100118.9
865P45.3Very low32.5Very low100 Ų100134 Ų13465%0.64976%0.758SS**  cis-139.1-160.9-15.528.5-5000114.1
866T28Very low32.3Very low109 Ų109132.3 Ų132.367%0.66976%0.758SS**  122.5130.6126.4-22.60000119.6
867V32.8Very low32.3Very low123 Ų123133.5 Ų133.575%0.74576%0.76SS**  trans59.5132.9150.6-72.80000125.9
868S30.3Very low32.7Very low117 Ų117131.9 Ų131.982%0.81876%0.762SS**  trans60.6147.3131.7-59.30000122.1
869G29.4Very low32.8Very low69 Ų69128.5 Ų128.571%0.71176%0.76SS**  cis155-176.7-5.800000114.1
870L32.3Very low32.8Very low154 Ų154129.1 Ų129.181%0.80676%0.764SS**  trans60.599.6163.2-100.569.9000120.7
871T32.1Very low33.2Very low109 Ų109130 Ų13067%0.66977%0.767SS**  60.6155.8119.362.70000123.5
872K35.7Very low33.4Very low196 Ų196130.6 Ų130.685%0.85277%0.765SS**  trans101.5101.1154.7-56.3-177.8-172.1-178.50117.8
873N29.8Very low34.1Very low152 Ų152128.1 Ų128.181%0.81376%0.764SS**  trans-64.4175.4147.4-123.4-5.6000110
874P43.6Very low34Very low103 Ų103130 Ų13067%0.66977%0.772SS**  cis-137.5175.94.637.7-17.5000117.1
875V28.6Very low34.3Very low126 Ų126129.9 Ų129.976%0.76477%0.769SS**  trans53.2118.8147.9171.10000120.2
876S25.6Very low34.3Very low122 Ų122130.6 Ų130.685%0.85377%0.773SS**  trans-159.3139.1137.5-81.90000111
877L32.8Very low34.3Very low164 Ų164132.6 Ų132.686%0.85978%0.78SS**  trans-96165.4177.7-78.6174.8000111.5
878P43.8Very low34.5Very low117 Ų117132.7 Ų132.776%0.7678%0.775SS**  trans-90.5155-150.634.3-37.4000116
879P33.5Very low35Very low122 Ų122133 Ų13379%0.79277%0.774SS**  trans-106.1126.9170.236-28.8000115.2
880L33.5Very low34.8Very low159 Ų159133.5 Ų133.583%0.83277%0.767SS**  trans-15.1154.6136.3-12939000115.4
881P37.5Very low34.7Very low123 Ų123132.9 Ų132.980%0.79977%0.769SS**  cis-151.5171.340.942.1-20.5000120.9
882N31.2Very low35Very low137 Ų137132.9 Ų132.973%0.73377%0.771SS**  trans-116152.3162.3-163.72.8000106.9
883P50.7Low35Very low116 Ų116129 Ų12975%0.75377%0.769SS**  -154.416089.139.6-21.4000116.7
884T28.9Very low35.9Very low137 Ų137127 Ų12784%0.8476%0.764SS**  trans-157.5147.5132-81.30000110.9
885K35Very low35.1Very low173 Ų173127.3 Ų127.375%0.75277%0.768SS**  trans-90.6170.4-174.4-142.6156.5173-176.50108.9
886P44.6Very low35.3Very low115 Ų115126.5 Ų126.575%0.74777%0.768SS**  cis-151.2174.625.343.8-22.1000122.7
887N29Very low35.7Very low150 Ų150127.5 Ų127.580%0.80276%0.763SS**  trans89.5141.5162.8-97.8-6.3000120
888I35.8Very low35.5Very low125 Ų125126.6 Ų126.664%0.64175%0.754SS**  trans-159.6161.8-167.33.3173.4000106
889P40.6Very low35.1Very low124 Ų124130.5 Ų130.581%0.80575%0.753SS**  cis-119.8-175.942.911.214000113.4
890S27Very low35Very low80 Ų80131.5 Ų131.556%0.55975%0.752SS**  cis148.9114.4-25.4-77.50000108.9
891V29.7Very low35Very low140 Ų140129.1 Ų129.185%0.84875%0.749SS**  trans55.9174.7157.4-97.40000119.2
892P37.7Very low34.8Very low110 Ų110128 Ų12871%0.71474%0.744SS**  cis-132.8178-24.732.4-13.4000114.7
893S36.8Very low34.9Very low115 Ų115127.4 Ų127.480%0.80475%0.746SS**  trans-90.1137.8142.4-56.30000107.7
894P47.3Very low33.8Very low109 Ų109128 Ų12871%0.70875%0.747SS**  -156.6-17464.543.3-22.4000117.2
895S28.3Very low33.8Very low109 Ų109125.5 Ų125.576%0.76274%0.74SS**  trans46.9113.8146-60.60000123.2
896S31.6Very low33.4Very low110 Ų110121.7 Ų121.777%0.76974%0.741SS**  trans55126131-167.10000121.7
897I34.6Very low33.6Very low143 Ų143121.3 Ų121.373%0.73374%0.739SS**  177.6147.3125.4-96.7162.3000115.3
898Q29.1Very low33.7Very low145 Ų145122.7 Ų122.768%0.67875%0.745SS**  trans54.897.8160.3-80.2168.8-90.500124.1
899R34.4Very low33.4Very low198 Ų198120.5 Ų120.575%0.74775%0.754SS**  28.8124.4107.2-62.8-175-77.6122.2-9.9120.2
900N32.5Very low32.9Very low144 Ų144120.5 Ų120.577%0.7775%0.751SS**  169.2143.5119.5-84.4-12000110.2
901S33.5Very low33Very low108 Ų108122.4 Ų122.476%0.75576%0.76SS**  cis-163.1130.7-1.350.20000115.3
902S33.5Very low32.9Very low100 Ų100122.7 Ų122.770%0.69976%0.756SS**  trans79.4133.1135.2-154.20000124.3
903T31.9Very low32.5Very low125 Ų125121.6 Ų121.677%0.76776%0.756SS**  trans69.5139.6146.5290000119.9
904T28.7Very low31.9Very low127 Ų127121.8 Ų121.878%0.77975%0.752SS**  cis-146.9147.88.9-68.10000113.2
905A29.2Very low31Very low85 Ų85125 Ų12570%0.70276%0.758SS**  trans-1.2126.7165.300000123.5
906A26.1Very low31.1Very low94 Ų94123.6 Ų123.678%0.77775%0.753SS**  50.4162.7110.600000122.4
907P47.3Very low30.9Very low107 Ų107124.9 Ų124.970%0.69576%0.755SS**  cis-136.1-164.5-13.435.6-13.6000114.1
908L31.4Very low31Very low178 Ų178123.1 Ų123.193%0.93275%0.754SS**  trans69.9161.6162.3-58.1165.1000117.5
909G29.4Very low31.3Very low80 Ų80123.4 Ų123.483%0.82577%0.765SS**  trans151.489.8171.600000116.1
910T30.1Very low31.1Very low123 Ų123117.1 Ų117.176%0.75576%0.756SS**  trans-71.7144.8173.340.80000115
911T30.6Very low31.2Very low120 Ų120118.3 Ų118.374%0.73676%0.756SS**  trans63.7168.8137.161.10000122.6
912L27.8Very low31Very low146 Ų146118.6 Ų118.676%0.76476%0.758SS**  trans61.9107.7165.2-90.667000117.5
913A27.6Very low30.8Very low87 Ų87120.2 Ų120.272%0.71976%0.758SS**  86.6160.558.100000115.4
914V25.6Very low30.8Very low119 Ų119119.3 Ų119.372%0.72175%0.752SS**  trans70.5107.2152.2166.40000118.4
915Q27.2Very low30.9Very low177 Ų177121.7 Ų121.783%0.82775%0.754SS**  53.1131.1113.7-145.3175.135.700118.7
916A30.7Very low30.9Very low79 Ų79122.4 Ų122.465%0.65376%0.76SS**  cis-171.4-159.8-12.500000107.3
917V26.8Very low31.2Very low137 Ų137123.9 Ų123.983%0.8376%0.76SS**  trans72.7155162.2-173.30000114.1
918P37.6Very low30.5Very low107 Ų107130.6 Ų130.670%0.69577%0.771SS**  cis-113.3152.6-23.128.4-12.5000113.5
919T35.8Very low30.6Very low150 Ų150128.3 Ų128.392%0.9277%0.765SS**  -149.2132127.6-57.70000107.9
920A30.5Very low30.7Very low66 Ų66129.6 Ų129.655%0.54576%0.761SS.*  trans-139.2158.2-173.800000112.4
921H33.2Very low31Very low170 Ų170130.9 Ų130.979%0.78776%0.762SS**  trans69.6104.5165.3-45.2-59.3000118.9I923H921-I923 HydrophobicContact CB-CD1 4.19Å
922S29.3Very low31.3Very low114 Ų114130.8 Ų130.880%0.79776%0.764SS**  -162.2103.6104.4-138.40000109.1
923I31.1Very low32.2Very low133 Ų133130.1 Ų130.168%0.68277%0.766SS**  76.1120.775.7-67.9167.8000111.1H921H921-I923 HydrophobicContact CB-CD1 4.19Å
924V30.1Very low32.5Very low107 Ų107131.9 Ų131.965%0.64877%0.768SS**  cis-157.8148.31.5108.90000113.8
925Q30.9Very low33.1Very low177 Ų177129.1 Ų129.183%0.82776%0.764SS**  trans32.2128.6155.2-60.1158.6-1300122.8
926A30.9Very low33.6Very low100 Ų100126.8 Ų126.883%0.82676%0.764SS**  -151.6124.5113.900000112.4
927T32.1Very low33.6Very low125 Ų125128.8 Ų128.877%0.76777%0.773SS**  trans0.3122.6164.6-45.20000120.2T929T927-T929 HydrophobicContact CG2-CG2 4.42Å
928R32.4Very low33.7Very low247 Ų247125.4 Ų125.493%0.93277%0.766SS**  trans-66.3131.9159.8-67.7174.976.9-169.87.3110.2
929T32.5Very low33.2Very low131 Ų131127 Ų12780%0.80477%0.768SS**  trans-131.2153.7164.533.10000111.4T927T927-T929 HydrophobicContact CG2-CG2 4.42Å
930S31.1Very low33.1Very low107 Ų107130.3 Ų130.375%0.74877%0.765SS**  trans-71.4149174.951.10000112.6
931L37.3Very low33Very low149 Ų149128.7 Ų128.778%0.7875%0.75SS**  trans14.5126.3154.1-74.1166.5000119.1
932P37.6Very low33.1Very low118 Ų118124.6 Ų124.677%0.76674%0.74SS**  trans-114.390.6143.234.8-25.6000111.3V934P932-V934 HydrophobicContact CB-CG2 4.35Å; P932-V934 PolarHBondContact O-N 3.24Å
933T46.1Very low33.3Very low132 Ų132121.7 Ų121.781%0.8172%0.72SS**  trans-81.7101.6157-60.30000107.9
934V33.7Very low33.2Very low124 Ų124119.7 Ų119.775%0.75272%0.718SS**  trans-141.3126.1179.8-177.80000106.6P932P932-V934 HydrophobicContact CB-CG2 4.35Å; P932-V934 PolarHBondContact O-N 3.24Å
935G37.3Very low33.2Very low62 Ų62119 Ų11964%0.63972%0.717SS**  cis103.8149.310.600000111.8
936P39Very low33.2Very low128 Ų128122.2 Ų122.283%0.83172%0.722SS**  trans-122.3129.314633.9-27.9000111.8
937S30.3Very low33.5Very low121 Ų121120.9 Ų120.985%0.84672%0.718SS**  trans-53.4150.6156.5-460000109.8
938G28.6Very low34.2Very low66 Ų66120.6 Ų120.668%0.6872%0.718SS**  cis98.6108.219.900000110.2
939L27.2Very low34.2Very low140 Ų140116 Ų11673%0.73371%0.711SS**  trans-140.9107.5163.7-81.6-178.1000108.5L740L740-L939 HydrophobicContact CD2-CD2 4.46Å
940Y32.9Very low34.4Very low220 Ų220118 Ų11886%0.86371%0.711SS**  trans-108.4149.3156.7-104.1-83.8000108.5
941S30.2Very low34.5Very low32 Ų32122.3 Ų122.322%0.22472%0.721CS.*  trans-154.3163.1156.9-800000106.9L741L741-S941 WeakPolarHBondContact CD2-O 3.46Å
942S34.4Very low34.3Very low83 Ų83124.2 Ų124.258%0.5872%0.723SS**  trans-147.3143.2-175.5-60.40000110.7V737V737-S942 WeakPolarHBondContact CG1-O 3.43Å
943S33.6Very low34.4Very low54 Ų54125.7 Ų125.738%0.37872%0.723SS.*  trans177.6119.7137.338.20000115.1R738R738-S943 VanDerWaalsContact CG-OG 3.29Å; R738-S943 WeakPolarHBondContact CG-OG 3.2Å; R738-S943 PolarHBondContact NH1-O 3.04Å; R738-S943 VanDerWaalsContact NH1-O 3.07Å; R738-S943 PolarHBondContact NH2-O 2.92Å
944S28.7Very low34Very low91 Ų91125 Ų12564%0.63672%0.721SS**  trans62.1135.6130.4-178.40000119.3R738R738-S944 VanDerWaalsContact CZ-O 3.26Å; R738-S944 PolarHBondContact NH1-O 3.21Å; R738-S944 PolarHBondContact NH2-O 3.47Å
945S30Very low33.9Very low91 Ų91126.3 Ų126.364%0.63672%0.723SS**  cis-159.51633661.40000114.7
946R31.4Very low33.5Very low245 Ų245129.1 Ų129.193%0.92573%0.732SS**  trans70133.6161.5-72.1179.7166.5166.4-4.8118.3
947G37.5Very low33.3Very low72 Ų72128.3 Ų128.374%0.74273%0.725SS**  trans-102.9-144.5160.500000110.4
948P47.1Very low33.3Very low120 Ų120132.3 Ų132.378%0.77973%0.727SS**  cis-122.3-168.33.438.5-21.2000112.8
949I32.1Very low33.4Very low150 Ų150133.8 Ų133.877%0.76973%0.727SS**  trans151125.4139.8-77.2158.6000111.8
950Q36.9Very low33.8Very low172 Ų172132.9 Ų132.980%0.80473%0.73SS**  trans3.3133.9158.9-51.2178.425.900120.5
951M33.3Very low33.9Very low198 Ų198128.5 Ų128.598%0.97573%0.729SS**  trans-125.4146.5138.5-76.4-159.3171.800109.7
952K32.5Very low33.8Very low189 Ų189132 Ų13282%0.82275%0.753SS**  trans-113.7120-166.8-176.2173.4-179.11760110.2
953I39.7Very low33.6Very low149 Ų149134 Ų13476%0.76477%0.767SS**  trans-74134171-60.8175.5000108.1I955I953-I955 PolarHBondContact O-N 3.38Å
954P37.5Very low33.6Very low118 Ų118135.5 Ų135.577%0.76678%0.782SS**  trans-73.3115.6175.529-33.1000110.8
955I32.3Very low33.9Very low152 Ų152139.6 Ų139.678%0.77979%0.792SS**  trans-75126.9161.536.7172.5000109.1I953I953-I955 PolarHBondContact O-N 3.38Å
956S28.7Very low34Very low121 Ų121144.3 Ų144.385%0.84680%0.804SS**  trans-10788.3174.7175.60000109.3
957T33.8Very low33.9Very low110 Ų110138.9 Ų138.968%0.67579%0.793SS**  trans-108.8119.5178.5-45.80000109.2
958F30Very low33.8Very low205 Ų205141 Ų14190%0.89980%0.796SS**  trans-62.6141.7164.8-105.5-103.2000109.3
959S30.6Very low33.5Very low97 Ų97144.4 Ų144.468%0.67882%0.823SS**  trans-144.8134.3167.6-690000110.5
960P36.3Very low33.5Very low122 Ų122144.2 Ų144.279%0.79283%0.826SS**PPolyproline II helixtrans-71.2170.2177.732.1-35.6000111.6
961P34.8Very low33.4Very low128 Ų128142.7 Ų142.783%0.83183%0.827SS**PPolyproline II helixtrans-76.1145.9-154.829-35.9000114.7
962S28.4Very low33.4Very low105 Ų105139.6 Ų139.673%0.73482%0.819SS**PPolyproline II helixtrans-84.2132.8156.8173.80000109.4
963S30.3Very low33.4Very low125 Ų125136.7 Ų136.787%0.87482%0.819SS**PPolyproline II helixtrans-93.9128.3143.2-75.60000107.3
964A33.9Very low33Very low85 Ų85135.9 Ų135.970%0.70282%0.822SS**PPolyproline II helixtrans-83.4174178.600000112
965E34.8Very low32.7Very low178 Ų178137.1 Ų137.183%0.83283%0.826SS**PPolyproline II helixtrans-50.6156.1175.7-53.9151.371.500113.9
966Q31Very low32.8Very low190 Ų190136.1 Ų136.189%0.88883%0.829SS**  -154110.7110.6-111.4174.434.400114
967N30.9Very low33.1Very low131 Ų131137.2 Ų137.270%0.70183%0.828SS**  50.3123.9126-171.426000120.6
968S35.1Very low33Very low115 Ų115139.5 Ų139.580%0.80484%0.84SS**  trans-170.492.3131-82.20000113
969S40Very low33.3Very low193 Ų193133.5 Ų133.5100%1.3584%0.835SS**  trans1680140.8-74.60000111.5

Retrieved 969 of 969 residues in 158.9 ms (Link to these results)