A0A096MLU9_PAPAN Loading...

Kinesin family member 4A

Iron-sulfur (Fe-S) cluster binding motor protein that has a role in chromosome segregation during mitosis. Translocates PRC1 to the plus ends of interdigitating spindle microtubules during the metaphase to anaphase transition, an essential step for the formation of an organized central spindle midzone and midbody and for successful cytokinesis. May play a role in mitotic chromosomal positioning and bipolar spindle stabilization.

AlphaFold DB , UniProt , Accession A0A096MLU9, Species PAPAN (Papio anubis, Olive baboon), Gene KIF4A, Length 1,234 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
1M29Very low62.7Low247 Ų247128.6 Ų128.6100%1.21763%0.625SS**  0148.30-63164.6-176.500108.4
2K31.5Very low65.6Low208 Ų208117.9 Ų117.990%0.90457%0.573SS**  trans-131.7124.3162-75.5-174.4177.3-178.70106
3E32.9Very low68.1Low179 Ų179108.8 Ų108.884%0.83653%0.529SS*.  trans-70.9139.9173.1-64.8176.4117.600109.5V5E3-V5 PolarHBondContact O-N 2.62Å
4E36.6Very low70.2Confident191 Ų191101.1 Ų101.189%0.89349%0.491SS*.  trans-71.996.9167.5-70-162127.700109K6E4-K6 PolarHBondContact O-N 3.32Å
5V46Very low72.1Confident122 Ų12295.3 Ų95.374%0.73946%0.462SS*.  trans-6397.8176.7-177.30000109.1E3 G7E3-V5 PolarHBondContact O-N 2.62Å; V5-G7 PolarHBondContact O-N 3.45Å
6K62.8Low73.6Confident191 Ų19189.4 Ų89.483%0.8343%0.434SS*.PPolyproline II helixtrans-56.1119.9175.6-67.8-176.4178.8-179.90109.2E4E4-K6 PolarHBondContact O-N 3.32Å
7G75Confident74.9Confident29 Ų2986.2 Ų86.230%0.29942%0.416SS..PPolyproline II helixtrans-64.1137-177.100000112.1V5V5-G7 PolarHBondContact O-N 3.45Å
8I90.8Very high76Confident71 Ų7185.8 Ų85.836%0.36442%0.421SS..EExtended strand (participates in β ladder)trans-88.1126.5-174.7-59.7-175.8000108.5N338 P340I8-N338 PolarHBondContact N-O 2.85Å; I8-N338 PolarHBondContact O-N 3.49Å; I8-P340 HydrophobicContact CD1-CG 3.95Å
9P93.1Very high76.8Confident44 Ų4483.6 Ų83.629%0.28641%0.411SS..EExtended strand (participates in β ladder)trans-65.4147.5-179.327-34.2000112.4R11 I336 K337P9-R11 PolarHBondContact O-N 3.29Å; P9-I336 VanDerWaalsContact CA-O 3.28Å; P9-I336 WeakPolarHBondContact CA-O 3.32Å; P9-K337 HydrophobicContact CB-CD 4.29Å
10V95.6Very high77.5Confident0 Ų081.9 Ų81.90%041%0.405CS..PPolyproline II helixtrans-61.2129.3160.7175.20000108.1L301 T307 I336 N338V10-L301 HydrophobicContact CG2-CD2 4.4Å; V10-T307 HydrophobicContact CG1-CG2 3.98Å; V10-I336 HydrophobicContact CB-CB 4.45Å; V10-I336 HydrophobicContact CG2-CB 3.85Å; V10-I336 HydrophobicContact CG2-CG2 3.81Å; V10-I336 PolarHBondContact N-O 2.91Å; V10-N338 WeakPolarHBondContact CG2-OD1 3.5Å
11R96.8Very high78Confident133 Ų13383 Ų8350%0.50242%0.419SS..EExtended strand (participates in β ladder)trans-85.5146.5176.9-66.1-65.9-170.9166.36.9110.3P9 D52 T307 L308 M309P9-R11 PolarHBondContact O-N 3.29Å; R11-D52 WeakPolarHBondContact CA-OD2 3.35Å; R11-D52 VanDerWaalsContact CD-CG 3.44Å; R11-D52 WeakPolarHBondContact CD-OD1 3.43Å; R11-D52 IonicContact CZ-OD1 3.58Å; R11-D52 IonicContact NE-OD1 3.95Å; R11-D52 IonicContact NH1-OD1 2.78Å; R11-D52 PolarHBondContact NH1-OD1 2.73Å; R11-T307 PolarHBondContact N-O 3.09Å; R11-L308 HydrophobicContact CB-CD1 3.99Å; R11-L308 CarbonylContact O-C 3.6Å; R11-L308 WeakPolarHBondContact O-CA 3.37Å; R11-M309 PolarHBondContact O-N 3.24Å
12V97.6Very high80.6Confident0 Ų075.5 Ų75.50%038%0.379CS..EExtended strand (participates in β ladder)trans-131.8116.8-175.4-1780000109.8Y51 D52 F53 M309 A330 A333 R334V12-Y51 HydrophobicContact CB-CD1 4.13Å; V12-Y51 HydrophobicContact CG1-CD1 3.51Å; V12-Y51 HydrophobicContact CG1-CE1 4.04Å; V12-Y51 HydrophobicContact CG1-CG 4.34Å; V12-D52 PolarHBondContact N-OD2 3.27Å; V12-D52 WeakPolarHBondContact O-CB 3.24Å; V12-D52 PolarHBondContact O-N 2.98Å; V12-F53 PolarHBondContact O-N 2.98Å; V12-M309 WeakPolarHBondContact CA-O 3.18Å; V12-M309 HydrophobicContact CG2-CB 4.4Å; V12-A330 HydrophobicContact CG1-CB 3.81Å; V12-A333 HydrophobicContact CG2-CB 4.32Å; V12-R334 HydrophobicContact CB-CB 4.45Å; V12-R334 HydrophobicContact CB-CG 4.42Å; V12-R334 HydrophobicContact CG2-CB 3.73Å; V12-R334 HydrophobicContact CG2-CG 4.06Å
13A97.9Very high83.4Confident0 Ų065.9 Ų65.90%034%0.338CS..EExtended strand (participates in β ladder)trans-100.7121.8167.500000109F53 F55 A68 L308 M309 I310 A311A13-F53 WeakPolarHBondContact CA-O 3.49Å; A13-F53 HydrophobicContact CB-CB 4.01Å; A13-F53 HydrophobicContact CB-CD2 4.06Å; A13-F53 HydrophobicContact CB-CG 4.49Å; A13-F55 HydrophobicContact CB-CD2 4.3Å; A13-F55 HydrophobicContact CB-CE2 3.87Å; A13-A68 HydrophobicContact CB-CB 4.34Å; A13-L308 HydrophobicContact CB-CD1 4.19Å; A13-M309 PolarHBondContact N-O 3.41Å; A13-I310 CarbonylContact O-C 3.59Å; A13-I310 WeakPolarHBondContact O-CA 3.27Å; A13-A311 PolarHBondContact O-N 3.04Å
14L98Very high86.1Confident0 Ų062.3 Ų62.30%032%0.323CS..EExtended strand (participates in β ladder)trans-83.3137.4165-175.970.1000109V41 Y51 F53 V54 F55 A311 V313 L327L14-V41 HydrophobicContact CD2-CB 3.74Å; L14-V41 HydrophobicContact CD2-CG1 3.43Å; L14-V41 VanDerWaalsContact CD2-CG1 3.43Å; L14-V41 HydrophobicContact CD2-CG2 4.17Å; L14-Y51 HydrophobicContact CB-CD2 3.87Å; L14-Y51 HydrophobicContact CB-CE2 4.26Å; L14-Y51 HydrophobicContact CB-CG 4.33Å; L14-Y51 HydrophobicContact CD2-CD2 4.13Å; L14-Y51 HydrophobicContact CD2-CE2 3.98Å; L14-F53 PolarHBondContact N-O 3.23Å; L14-V54 HydrophobicContact CB-CG2 4.13Å; L14-V54 HydrophobicContact CD2-CG1 4.25Å; L14-V54 HydrophobicContact CD2-CG2 4.39Å; L14-F55 WeakPolarHBondContact O-CB 3.47Å; L14-F55 WeakPolarHBondContact O-CD2 3.37Å; L14-F55 PolarHBondContact O-N 3.06Å; L14-A311 HydrophobicContact CD1-CB 3.98Å; L14-V313 HydrophobicContact CD1-CG1 3.93Å; L14-V313 HydrophobicContact CD1-CG2 3.93Å; L14-V313 HydrophobicContact CG-CG2 4.4Å; L14-L327 HydrophobicContact CD1-CD2 3.52Å; L14-L327 HydrophobicContact CD2-CD2 3.63Å; L14-L327 HydrophobicContact CG-CD2 4.24Å
15R97.4Very high88.6Confident14 Ų1457.9 Ų57.95%0.05331%0.313CS..EExtended strand (participates in β ladder)trans-129.7119.7169.2-170.4-178.2-166.6176.314.2110.8F55 T59 S97 I310 A311 C312 V313R15-F55 HydrophobicContact CB-CB 4.31Å; R15-F55 HydrophobicContact CG-CB 4.09Å; R15-T59 PolarHBondContact NH2-O 3.41Å; R15-S97 PolarHBondContact NH1-OG 3.49Å; R15-I310 HydrophobicContact CB-CG2 4.39Å; R15-A311 PolarHBondContact N-O 3.46Å; R15-C312 WeakPolarHBondContact O-CA 3.41Å; R15-V313 PolarHBondContact O-N 2.83Å
16C96.9Very high90.6Very high2 Ų257.4 Ų57.41%0.01430%0.303CS..EExtended strand (participates in β ladder)trans-87.5150.5163.3-160.60000109.9F34 F55 P57 V313C16-F34 HydrophobicContact CB-CE1 4.07Å; C16-F34 HydrophobicContact CB-CE2 4.47Å; C16-F34 HydrophobicContact CB-CZ 3.53Å; C16-F55 PolarHBondContact N-O 3.4Å; C16-P57 HydrophobicContact CB-CG 4.22Å; C16-V313 HydrophobicContact CB-CG2 4.18Å
17R95.1Very high91.8Very high35 Ų3551.1 Ų51.113%0.13229%0.292CS..  trans-110.2163.5168.260.7146.7175.574-1110.4E23 G91 V313 S314 P315R17-E23 IonicContact CZ-OE1 2.82Å; R17-E23 IonicContact CZ-OE2 3.12Å; R17-E23 IonicContact NH1-OE1 2.61Å; R17-E23 IonicContact NH1-OE2 2.8Å; R17-E23 PolarHBondContact NH1-OE2 3.33Å; R17-E23 VanDerWaalsContact NH2-CD 3.33Å; R17-E23 IonicContact NH2-OE1 2.7Å; R17-E23 PolarHBondContact NH2-OE1 2.98Å; R17-E23 IonicContact NH2-OE2 2.66Å; R17-E23 PolarHBondContact NH2-OE2 3.15Å; R17-G91 PolarHBondContact NE-O 3.28Å; R17-G91 PolarHBondContact NH2-O 3.45Å; R17-G91 VanDerWaalsContact NH2-O 3.11Å; R17-V313 PolarHBondContact N-O 3.3Å; R17-S314 PolarHBondContact NH1-OG 2.73Å; R17-S314 PolarHBondContact NH2-OG 3.04Å; R17-P315 WeakPolarHBondContact O-CD 3.38Å; R17-P315 VanDerWaalsContact O-CG 3.26Å; R17-P315 WeakPolarHBondContact O-CG 3.44Å
18P94.6Very high92.6Very high78 Ų7850.4 Ų50.451%0.50628%0.283SS..PPolyproline II helixtrans-54.8157.5164.6-2635.6000112.8V20 P57P18-V20 PolarHBondContact O-N 3.35Å; P18-P57 WeakPolarHBondContact CD-O 3.39Å; P18-P57 HydrophobicContact CG-CB 4.29Å; P18-P57 WeakPolarHBondContact CG-O 3.49Å
19L91.9Very high92.6Very high44 Ų4454 Ų5423%0.2330%0.298CS..PPolyproline II helixtrans-57.7133.5165.9-73.2168.5000109.5E23 I24 M30 P315 A316L19-E23 HydrophobicContact CD2-CB 4.12Å; L19-I24 HydrophobicContact CB-CD1 4.25Å; L19-I24 HydrophobicContact CB-CG1 3.91Å; L19-M30 HydrophobicContact CD1-CG 3.86Å; L19-M30 HydrophobicContact CG-CG 4.21Å; L19-P315 HydrophobicContact CD2-CG 3.89Å; L19-P315 HydrophobicContact CG-CG 4Å; L19-A316 HydrophobicContact CD2-CB 3.76Å
20V91.1Very high92.5Very high49 Ų4956.9 Ų56.930%0.29731%0.309SS..PPolyproline II helixtrans-86.5155.2176.4-68.20000111.1P18 K22 E23 I24P18-V20 PolarHBondContact O-N 3.35Å; V20-K22 HydrophobicContact CG2-CB 4.37Å; V20-K22 PolarHBondContact O-N 3.48Å; V20-E23 HydrophobicContact CG2-CB 4.34Å; V20-E23 HydrophobicContact CG2-CG 3.83Å; V20-E23 WeakPolarHBondContact CG2-OE2 3.38Å; V20-E23 PolarHBondContact N-OE2 3.03Å; V20-E23 PolarHBondContact O-N 3.3Å; V20-I24 PolarHBondContact O-N 2.77Å; V20-I24 VanDerWaalsContact O-N 3.09Å
21P87.9Confident92.3Very high107 Ų10757.7 Ų57.770%0.69531%0.314SS*.Hα-helixtrans-51.7-29.9-178.4-30.736.4000115S25P21-S25 WeakPolarHBondContact O-CB 3.43Å; P21-S25 PolarHBondContact O-N 3.1Å; P21-S25 PolarHBondContact O-OG 3.04Å
22K84Confident92.2Very high89 Ų8951.8 Ų51.839%0.38729%0.292SS..Hα-helixtrans-62.9-51.3172.4-178.4175.6176.2179.40112.5V20 I24 S25 E26 A204V20-K22 HydrophobicContact CG2-CB 4.37Å; V20-K22 PolarHBondContact O-N 3.48Å; K22-I24 VanDerWaalsContact C-N 3.29Å; K22-I24 PolarHBondContact O-N 3.17Å; K22-S25 WeakPolarHBondContact CA-OG 3.48Å; K22-S25 CarbonylContact O-C 3.59Å; K22-S25 PolarHBondContact O-N 3.13Å; K22-S25 VanDerWaalsContact O-N 3.14Å; K22-S25 PolarHBondContact O-OG 3.45Å; K22-E26 WeakPolarHBondContact CE-OE1 3.29Å; K22-E26 HydrophobicContact CG-CG 4.48Å; K22-E26 IonicContact NZ-OE1 3.6Å; K22-E26 WeakPolarHBondContact O-CB 3.36Å; K22-E26 WeakPolarHBondContact O-CG 3.14Å; K22-E26 PolarHBondContact O-N 3.02Å; K22-A204 PolarHBondContact NZ-O 3.15Å; K22-A204 VanDerWaalsContact NZ-O 3.12Å
23E90.4Very high92Very high6 Ų654.7 Ų54.73%0.02831%0.313CS..Hα-helixtrans-63.7-37.8179.2-67.1166157.500110.7R17 L19 V20 E26 G27 C28 S314 A316 N319R17-E23 IonicContact CZ-OE1 2.82Å; R17-E23 IonicContact CZ-OE2 3.12Å; R17-E23 IonicContact NH1-OE1 2.61Å; R17-E23 IonicContact NH1-OE2 2.8Å; R17-E23 PolarHBondContact NH1-OE2 3.33Å; R17-E23 VanDerWaalsContact NH2-CD 3.33Å; R17-E23 IonicContact NH2-OE1 2.7Å; R17-E23 PolarHBondContact NH2-OE1 2.98Å; R17-E23 IonicContact NH2-OE2 2.66Å; R17-E23 PolarHBondContact NH2-OE2 3.15Å; L19-E23 HydrophobicContact CD2-CB 4.12Å; V20-E23 HydrophobicContact CG2-CB 4.34Å; V20-E23 HydrophobicContact CG2-CG 3.83Å; V20-E23 WeakPolarHBondContact CG2-OE2 3.38Å; V20-E23 PolarHBondContact N-OE2 3.03Å; V20-E23 PolarHBondContact O-N 3.3Å; E23-E26 CarbonylContact O-C 3.59Å; E23-E26 PolarHBondContact O-N 3.48Å; E23-G27 PolarHBondContact O-N 3.27Å; E23-G27 VanDerWaalsContact O-N 3.16Å; E23-C28 HydrophobicContact CB-CB 4.08Å; E23-C28 WeakPolarHBondContact O-CB 3.33Å; E23-C28 PolarHBondContact O-N 2.93Å; E23-S314 PolarHBondContact OE1-OG 3.37Å; E23-A316 HydrophobicContact CB-CB 4.16Å; E23-A316 VanDerWaalsContact CD-CB 3.5Å; E23-A316 HydrophobicContact CG-CB 3.88Å; E23-N319 PolarHBondContact OE1-ND2 3.32Å
24I89.7Confident91.8Very high104 Ų10457.2 Ų57.253%0.53332%0.324SS..Hα-helixtrans-62.9-43.5173.3-59.3171.4000110.8L19 V20 K22 E26 G27L19-I24 HydrophobicContact CB-CD1 4.25Å; L19-I24 HydrophobicContact CB-CG1 3.91Å; V20-I24 PolarHBondContact O-N 2.77Å; V20-I24 VanDerWaalsContact O-N 3.09Å; K22-I24 VanDerWaalsContact C-N 3.29Å; K22-I24 PolarHBondContact O-N 3.17Å; I24-E26 VanDerWaalsContact C-N 3.3Å; I24-E26 PolarHBondContact O-N 3.5Å; I24-G27 PolarHBondContact O-N 3.32Å
25S87.9Confident91.5Very high98 Ų9859.4 Ų59.469%0.68534%0.337SS*.Hα-helixtrans-71.2-22.1176.470.80000114.3P21 K22 G27P21-S25 WeakPolarHBondContact O-CB 3.43Å; P21-S25 PolarHBondContact O-N 3.1Å; P21-S25 PolarHBondContact O-OG 3.04Å; K22-S25 WeakPolarHBondContact CA-OG 3.48Å; K22-S25 CarbonylContact O-C 3.59Å; K22-S25 PolarHBondContact O-N 3.13Å; K22-S25 VanDerWaalsContact O-N 3.14Å; K22-S25 PolarHBondContact O-OG 3.45Å; S25-G27 VanDerWaalsContact C-N 3.3Å
26E87.3Confident91Very high112 Ų11264.9 Ų64.952%0.52338%0.375SS..THydrogen-bonded Turntrans-85.4-2.4173.1-71.9172.8168.800112K22 E23 I24K22-E26 WeakPolarHBondContact CE-OE1 3.29Å; K22-E26 HydrophobicContact CG-CG 4.48Å; K22-E26 IonicContact NZ-OE1 3.6Å; K22-E26 WeakPolarHBondContact O-CB 3.36Å; K22-E26 WeakPolarHBondContact O-CG 3.14Å; K22-E26 PolarHBondContact O-N 3.02Å; E23-E26 CarbonylContact O-C 3.59Å; E23-E26 PolarHBondContact O-N 3.48Å; I24-E26 VanDerWaalsContact C-N 3.3Å; I24-E26 PolarHBondContact O-N 3.5Å
27G88.8Confident90.2Very high58 Ų5869 Ų6960%0.59842%0.418SS*.THydrogen-bonded Turntrans8213.3175.900000115.2E23 I24 S25E23-G27 PolarHBondContact O-N 3.27Å; E23-G27 VanDerWaalsContact O-N 3.16Å; I24-G27 PolarHBondContact O-N 3.32Å; S25-G27 VanDerWaalsContact C-N 3.3Å
28C91.1Very high90Very high15 Ų1572.7 Ų72.710%0.10144%0.437CS..PPolyproline II helixtrans-66.5136.1-173.7-68.40000113.9E23 A316 D317 S318E23-C28 HydrophobicContact CB-CB 4.08Å; E23-C28 WeakPolarHBondContact O-CB 3.33Å; E23-C28 PolarHBondContact O-N 2.93Å; C28-A316 HydrophobicContact CB-CB 3.88Å; C28-D317 VanDerWaalsContact CA-OD1 3.27Å; C28-D317 WeakPolarHBondContact CA-OD1 3.37Å; C28-D317 WeakPolarHBondContact CB-OD1 3.49Å; C28-D317 PolarHBondContact SG-OD1 3.2Å; C28-S318 VanDerWaalsContact SG-CB 3.53Å; C28-S318 PolarHBondContact SG-OG 3.44Å
29Q90.6Very high90Very high146 Ų14671.4 Ų71.468%0.68243%0.428SS*.PPolyproline II helixtrans-93.6164171.2-56.9-171.10.600111.8C31 D317Q29-C31 PolarHBondContact O-N 3.34Å; Q29-D317 VanDerWaalsContact N-CG 3.35Å; Q29-D317 PolarHBondContact N-OD2 3.09Å; Q29-D317 PolarHBondContact O-N 2.95Å
30M91.8Very high90.1Very high104 Ų10471.2 Ų71.251%0.51243%0.426SS..BIsolated β-bridgetrans-78.6117.6173.5-71.1-173.15800110.9L19 P57 P315L19-M30 HydrophobicContact CD1-CG 3.86Å; L19-M30 HydrophobicContact CG-CG 4.21Å; M30-P57 HydrophobicContact CE-CG 4.04Å; M30-P315 CarbonylContact C-O 3.38Å; M30-P315 WeakPolarHBondContact CA-O 3.47Å; M30-P315 HydrophobicContact CE-CB 4.17Å; M30-P315 HydrophobicContact CG-CB 4.18Å
31C92.4Very high90.3Very high18 Ų1868.9 Ų68.912%0.12241%0.412CS..  trans-97.85177.471.90000114.2Q29 G44 P315 D317 L320Q29-C31 PolarHBondContact O-N 3.34Å; C31-G44 PolarHBondContact O-N 3.47Å; C31-P315 PolarHBondContact N-O 3.41Å; C31-P315 PolarHBondContact SG-O 2.76Å; C31-D317 HydrophobicContact CB-CB 4.35Å; C31-L320 HydrophobicContact CB-CD1 4.43Å
32L94.1Very high90.5Very high8 Ų865.1 Ų65.14%0.04239%0.387CS..EExtended strand (participates in β ladder)trans-119.7133.7179.2-63.1-178.5000111.2F34 V41 V42 V43 V313 T323L32-F34 HydrophobicContact CB-CE2 4.09Å; L32-F34 HydrophobicContact CB-CZ 3.96Å; L32-F34 HydrophobicContact CD1-CZ 4.35Å; L32-V41 HydrophobicContact CB-CG2 4.33Å; L32-V41 HydrophobicContact CD2-CG2 4.06Å; L32-V42 WeakPolarHBondContact CA-O 3.49Å; L32-V43 HydrophobicContact CD2-CB 4.17Å; L32-V43 HydrophobicContact CD2-CG1 3.99Å; L32-V43 HydrophobicContact CD2-CG2 3.74Å; L32-V313 HydrophobicContact CD1-CG2 3.83Å; L32-T323 HydrophobicContact CD1-CG2 4.03Å; L32-T323 HydrophobicContact CD2-CG2 3.9Å; L32-T323 HydrophobicContact CG-CG2 4.33Å
33S92.9Very high90.9Very high62 Ų6261.1 Ų61.143%0.43437%0.37SS..EExtended strand (participates in β ladder)trans-124.2159.4168.857.40000110.7V41 V42S33-V41 WeakPolarHBondContact O-CA 2.93Å; S33-V41 WeakPolarHBondContact O-CG2 3.21Å; S33-V42 PolarHBondContact N-O 3.27Å; S33-V42 PolarHBondContact O-N 2.95Å
34F93.9Very high90.3Very high53 Ų5363 Ų6323%0.23239%0.391CS..EExtended strand (participates in β ladder)trans-131.6140.1-168.5-57.7-86.9000109.7C16 L32 P36 V41 V54 D56 P57C16-F34 HydrophobicContact CB-CE1 4.07Å; C16-F34 HydrophobicContact CB-CE2 4.47Å; C16-F34 HydrophobicContact CB-CZ 3.53Å; L32-F34 HydrophobicContact CB-CE2 4.09Å; L32-F34 HydrophobicContact CB-CZ 3.96Å; L32-F34 HydrophobicContact CD1-CZ 4.35Å; F34-P36 WeakPolarHBondContact O-CD 3.35Å; F34-V41 HydrophobicContact CD1-CB 4.22Å; F34-V41 HydrophobicContact CD1-CG2 3.92Å; F34-V41 HydrophobicContact CE1-CB 4.17Å; F34-V41 HydrophobicContact CE1-CG2 3.56Å; F34-V41 HydrophobicContact CZ-CG2 4.1Å; F34-V54 HydrophobicContact CD1-CG1 3.64Å; F34-V54 HydrophobicContact CE1-CG1 4Å; F34-D56 HydrophobicContact CD1-CB 4.31Å; F34-D56 HydrophobicContact CD2-CB 4.16Å; F34-D56 HydrophobicContact CE2-CB 4.49Å; F34-D56 HydrophobicContact CG-CB 4.08Å; F34-P57 HydrophobicContact CE2-CG 4.3Å
35V91.2Very high89.4Confident46 Ų4664.3 Ų64.328%0.27940%0.404SS..  trans-90.6115.1-179.1-177.70000109.3G37 E38 Q40V35-G37 PolarHBondContact O-N 2.96Å; V35-E38 HydrophobicContact CB-CB 4.14Å; V35-E38 HydrophobicContact CG1-CB 3.9Å; V35-E38 HydrophobicContact CG1-CG 4.02Å; V35-E38 PolarHBondContact O-N 3.39Å; V35-E38 VanDerWaalsContact O-O 3.13Å; V35-Q40 HydrophobicContact CB-CB 4.33Å; V35-Q40 HydrophobicContact CG2-CB 4.14Å; V35-Q40 HydrophobicContact CG2-CG 4.29Å; V35-Q40 PolarHBondContact N-O 2.94Å
36P86.7Confident88.6Confident128 Ų12864.8 Ų64.883%0.83140%0.399SS*.THydrogen-bonded Turntrans-61.6123.6-176.7-24.235.2000112.3F34 E38F34-P36 WeakPolarHBondContact O-CD 3.35Å; P36-E38 VanDerWaalsContact C-N 3.33Å; P36-E38 PolarHBondContact O-N 3Å
37G81.8Confident88.7Confident90 Ų9064 Ų6493%0.92839%0.394SS*.THydrogen-bonded Turntrans85.7-9179.300000115.6V35V35-G37 PolarHBondContact O-N 2.96Å
38E90.3Very high88.8Confident112 Ų11264.6 Ų64.652%0.52339%0.389SS..SBendtrans-110145.8173.6-64.8-166.5179.300111.6V35 P36 Q40V35-E38 HydrophobicContact CB-CB 4.14Å; V35-E38 HydrophobicContact CG1-CB 3.9Å; V35-E38 HydrophobicContact CG1-CG 4.02Å; V35-E38 PolarHBondContact O-N 3.39Å; V35-E38 VanDerWaalsContact O-O 3.13Å; P36-E38 VanDerWaalsContact C-N 3.33Å; P36-E38 PolarHBondContact O-N 3Å; E38-Q40 HydrophobicContact CB-CB 4.37Å; E38-Q40 PolarHBondContact O-N 3.27Å
39P93.6Very high89Confident50 Ų5065.5 Ų65.533%0.32539%0.391SS..SBendtrans-78.954.5174.635.3-36000110.9T50 Y51 V54P39-T50 HydrophobicContact CG-CG2 4.21Å; P39-T50 WeakPolarHBondContact O-CA 3.27Å; P39-T50 WeakPolarHBondContact O-CG2 3.41Å; P39-Y51 WeakPolarHBondContact CB-O 3.38Å; P39-Y51 WeakPolarHBondContact CG-O 3.35Å; P39-Y51 PolarHBondContact O-N 2.92Å; P39-V54 HydrophobicContact CB-CG2 4.34Å; P39-V54 WeakPolarHBondContact O-CG2 3.35Å
40Q94.1Very high89.3Confident41 Ų4161.6 Ų61.619%0.19238%0.377CS..EExtended strand (participates in β ladder)trans-127134.3-176.9-171.3176.2114.200112.2V35 E38 F49 T50V35-Q40 HydrophobicContact CB-CB 4.33Å; V35-Q40 HydrophobicContact CG2-CB 4.14Å; V35-Q40 HydrophobicContact CG2-CG 4.29Å; V35-Q40 PolarHBondContact N-O 2.94Å; E38-Q40 HydrophobicContact CB-CB 4.37Å; E38-Q40 PolarHBondContact O-N 3.27Å; Q40-F49 WeakPolarHBondContact CA-O 3.13Å; Q40-T50 PolarHBondContact NE2-OG1 3.22Å; Q40-T50 VanDerWaalsContact NE2-OG1 3.12Å
41V95.1Very high89.5Confident0 Ų057 Ų570%035%0.354CS..EExtended strand (participates in β ladder)trans-110.1148.7167.867.80000109.5L14 L32 S33 F34 S48 F49 Y51 V54 L327L14-V41 HydrophobicContact CD2-CB 3.74Å; L14-V41 HydrophobicContact CD2-CG1 3.43Å; L14-V41 VanDerWaalsContact CD2-CG1 3.43Å; L14-V41 HydrophobicContact CD2-CG2 4.17Å; L32-V41 HydrophobicContact CB-CG2 4.33Å; L32-V41 HydrophobicContact CD2-CG2 4.06Å; S33-V41 WeakPolarHBondContact O-CA 2.93Å; S33-V41 WeakPolarHBondContact O-CG2 3.21Å; F34-V41 HydrophobicContact CD1-CB 4.22Å; F34-V41 HydrophobicContact CD1-CG2 3.92Å; F34-V41 HydrophobicContact CE1-CB 4.17Å; F34-V41 HydrophobicContact CE1-CG2 3.56Å; F34-V41 HydrophobicContact CZ-CG2 4.1Å; V41-S48 CarbonylContact O-C 3.54Å; V41-S48 VanDerWaalsContact O-CA 3.3Å; V41-S48 WeakPolarHBondContact O-CA 3.34Å; V41-F49 HydrophobicContact CG1-CB 3.95Å; V41-F49 PolarHBondContact N-O 3.13Å; V41-F49 PolarHBondContact O-N 3.2Å; V41-Y51 HydrophobicContact CG1-CE2 4.16Å; V41-V54 HydrophobicContact CB-CG1 4.43Å; V41-L327 HydrophobicContact CG1-CD2 3.86Å
42V93.2Very high89.7Confident27 Ų2757.9 Ų57.916%0.16436%0.358CS..EExtended strand (participates in β ladder)trans-118.6138.2170.3-176.50000109.1L32 S33L32-V42 WeakPolarHBondContact CA-O 3.49Å; S33-V42 PolarHBondContact N-O 3.27Å; S33-V42 PolarHBondContact O-N 2.95Å
43V91.5Very high89.8Confident6 Ų660.2 Ų60.24%0.03637%0.367CS..EExtended strand (participates in β ladder)trans-114117.1-177.7-167.30000109.6L32 K47 F49 L320 L324 L327L32-V43 HydrophobicContact CD2-CB 4.17Å; L32-V43 HydrophobicContact CD2-CG1 3.99Å; L32-V43 HydrophobicContact CD2-CG2 3.74Å; V43-K47 HydrophobicContact CB-CB 4.35Å; V43-K47 PolarHBondContact N-O 3.11Å; V43-F49 HydrophobicContact CG2-CD2 3.94Å; V43-F49 HydrophobicContact CG2-CE2 3.9Å; V43-L320 HydrophobicContact CG1-CD1 3.34Å; V43-L324 HydrophobicContact CB-CD2 4.17Å; V43-L324 HydrophobicContact CG1-CD2 3.84Å; V43-L324 HydrophobicContact CG1-CG 4.07Å; V43-L324 HydrophobicContact CG2-CD2 4.2Å; V43-L327 HydrophobicContact CG2-CD1 3.38Å
44G79.3Confident90Very high46 Ų4658.6 Ų58.647%0.47436%0.355SS..THydrogen-bonded Turntrans60-135.4-167.200000110.9C31C31-G44 PolarHBondContact O-N 3.47Å
45T69Low90.1Very high131 Ų13156.4 Ų56.480%0.80435%0.346SS*.THydrogen-bonded Turntrans-95.9-21.3-174.334.40000115.3
46D72.3Confident90.3Very high108 Ų10856.5 Ų56.558%0.57835%0.345SS*.THydrogen-bonded Turntrans-139.11.4-159.833.7-92.9000115.8
47K88.8Confident90.7Very high96 Ų9651.8 Ų51.842%0.41731%0.314SS..EExtended strand (participates in β ladder)trans-121.292.8-174-65.5176.4-173.367.30112.7V43 F49V43-K47 HydrophobicContact CB-CB 4.35Å; V43-K47 PolarHBondContact N-O 3.11Å; K47-F49 HydrophobicContact CB-CE2 4.35Å
48S92.4Very high91.2Very high70 Ų7052.1 Ų52.149%0.4930%0.302SS..EExtended strand (participates in β ladder)trans-82.8148.6173.460.90000113V41V41-S48 CarbonylContact O-C 3.54Å; V41-S48 VanDerWaalsContact O-CA 3.3Å; V41-S48 WeakPolarHBondContact O-CA 3.34Å
49F95.3Very high91.4Very high33 Ų3347.4 Ų47.415%0.14528%0.281CS..EExtended strand (participates in β ladder)trans-139.2128171.3-65.4-97.5000109.7Q40 V41 V43 K47 Y51 L324 L327 R328Q40-F49 WeakPolarHBondContact CA-O 3.13Å; V41-F49 HydrophobicContact CG1-CB 3.95Å; V41-F49 PolarHBondContact N-O 3.13Å; V41-F49 PolarHBondContact O-N 3.2Å; V43-F49 HydrophobicContact CG2-CD2 3.94Å; V43-F49 HydrophobicContact CG2-CE2 3.9Å; K47-F49 HydrophobicContact CB-CE2 4.35Å; F49-Y51 HydrophobicContact CB-CD2 4.47Å; F49-Y51 HydrophobicContact CB-CE2 3.52Å; F49-L324 HydrophobicContact CE2-CD2 4.07Å; F49-L324 HydrophobicContact CZ-CD2 4.27Å; F49-L327 HydrophobicContact CD1-CB 4.2Å; F49-L327 HydrophobicContact CD2-CB 4.28Å; F49-L327 HydrophobicContact CD2-CD1 4.11Å; F49-L327 HydrophobicContact CE1-CB 4.14Å; F49-L327 HydrophobicContact CE2-CB 4.23Å; F49-L327 HydrophobicContact CE2-CD1 4.16Å; F49-L327 HydrophobicContact CG-CB 4.27Å; F49-L327 HydrophobicContact CZ-CB 4.16Å; F49-R328 HydrophobicContact CE1-CG 4.06Å; F49-R328 HydrophobicContact CZ-CG 4.14Å
50T95.5Very high91.4Very high64 Ų6450.9 Ų50.939%0.39329%0.292SS..EExtended strand (participates in β ladder)trans-106.5138.9178.5-53.90000110.7P39 Q40 R334P39-T50 HydrophobicContact CG-CG2 4.21Å; P39-T50 WeakPolarHBondContact O-CA 3.27Å; P39-T50 WeakPolarHBondContact O-CG2 3.41Å; Q40-T50 PolarHBondContact NE2-OG1 3.22Å; Q40-T50 VanDerWaalsContact NE2-OG1 3.12Å; T50-R334 PolarHBondContact O-NH1 2.77Å
51Y96.8Very high91.4Very high9 Ų949.1 Ų49.14%0.03528%0.284CS..  trans-129.3-176.5-177.6-64.4-74.3000111.5V12 L14 P39 V41 F49 F53 V54 L327 A330 D331V12-Y51 HydrophobicContact CB-CD1 4.13Å; V12-Y51 HydrophobicContact CG1-CD1 3.51Å; V12-Y51 HydrophobicContact CG1-CE1 4.04Å; V12-Y51 HydrophobicContact CG1-CG 4.34Å; L14-Y51 HydrophobicContact CB-CD2 3.87Å; L14-Y51 HydrophobicContact CB-CE2 4.26Å; L14-Y51 HydrophobicContact CB-CG 4.33Å; L14-Y51 HydrophobicContact CD2-CD2 4.13Å; L14-Y51 HydrophobicContact CD2-CE2 3.98Å; P39-Y51 WeakPolarHBondContact CB-O 3.38Å; P39-Y51 WeakPolarHBondContact CG-O 3.35Å; P39-Y51 PolarHBondContact O-N 2.92Å; V41-Y51 HydrophobicContact CG1-CE2 4.16Å; F49-Y51 HydrophobicContact CB-CD2 4.47Å; F49-Y51 HydrophobicContact CB-CE2 3.52Å; Y51-F53 WeakPolarHBondContact CB-O 3.48Å; Y51-V54 HydrophobicContact CD2-CG2 3.89Å; Y51-V54 HydrophobicContact CG-CG2 4.49Å; Y51-L327 HydrophobicContact CE2-CD2 3.72Å; Y51-L327 VanDerWaalsContact OH-C 3.28Å; Y51-L327 VanDerWaalsContact OH-CA 3.25Å; Y51-L327 WeakPolarHBondContact OH-CA 3.44Å; Y51-L327 WeakPolarHBondContact OH-CB 3.36Å; Y51-L327 VanDerWaalsContact OH-CD2 3.29Å; Y51-L327 WeakPolarHBondContact OH-CD2 3.46Å; Y51-L327 PolarHBondContact OH-O 2.75Å; Y51-A330 HydrophobicContact CE1-CB 3.7Å; Y51-D331 HydrophobicContact CE1-CB 4.47Å
52D96.4Very high91.3Very high36 Ų3653.6 Ų53.619%0.19331%0.305CS..SBendtrans-74.4-33.8172.2-57.8-89.3000111R11 V12R11-D52 WeakPolarHBondContact CA-OD2 3.35Å; R11-D52 VanDerWaalsContact CD-CG 3.44Å; R11-D52 WeakPolarHBondContact CD-OD1 3.43Å; R11-D52 IonicContact CZ-OD1 3.58Å; R11-D52 IonicContact NE-OD1 3.95Å; R11-D52 IonicContact NH1-OD1 2.78Å; R11-D52 PolarHBondContact NH1-OD1 2.73Å; V12-D52 PolarHBondContact N-OD2 3.27Å; V12-D52 WeakPolarHBondContact O-CB 3.24Å; V12-D52 PolarHBondContact O-N 2.98Å
53F96.6Very high91.4Very high56 Ų5657.2 Ų57.225%0.24632%0.32CS..EExtended strand (participates in β ladder)trans-142.4144.2173.1-46.9-81.7000109.4V12 A13 L14 Y51 F55 T67 A68V12-F53 PolarHBondContact O-N 2.98Å; A13-F53 WeakPolarHBondContact CA-O 3.49Å; A13-F53 HydrophobicContact CB-CB 4.01Å; A13-F53 HydrophobicContact CB-CD2 4.06Å; A13-F53 HydrophobicContact CB-CG 4.49Å; L14-F53 PolarHBondContact N-O 3.23Å; Y51-F53 WeakPolarHBondContact CB-O 3.48Å; F53-F55 HydrophobicContact CB-CE1 4.45Å; F53-F55 HydrophobicContact CB-CE2 3.98Å; F53-F55 HydrophobicContact CB-CZ 3.88Å; F53-F55 HydrophobicContact CG-CZ 4.37Å; F53-T67 HydrophobicContact CD1-CG2 3.67Å; F53-T67 HydrophobicContact CE1-CG2 3.79Å; F53-A68 HydrophobicContact CD2-CB 3.91Å; F53-A68 HydrophobicContact CE2-CB 3.99Å; F53-A68 HydrophobicContact CG-CB 4.32Å; F53-A68 HydrophobicContact CZ-CB 4.48Å
54V97.1Very high91.5Very high29 Ų2956.9 Ų56.918%0.17632%0.319CS..EExtended strand (participates in β ladder)trans-129125.6168.8172.90000108L14 F34 P39 V41 Y51L14-V54 HydrophobicContact CB-CG2 4.13Å; L14-V54 HydrophobicContact CD2-CG1 4.25Å; L14-V54 HydrophobicContact CD2-CG2 4.39Å; F34-V54 HydrophobicContact CD1-CG1 3.64Å; F34-V54 HydrophobicContact CE1-CG1 4Å; P39-V54 HydrophobicContact CB-CG2 4.34Å; P39-V54 WeakPolarHBondContact O-CG2 3.35Å; V41-V54 HydrophobicContact CB-CG1 4.43Å; Y51-V54 HydrophobicContact CD2-CG2 3.89Å; Y51-V54 HydrophobicContact CG-CG2 4.49Å
55F96.6Very high92.3Very high7 Ų755.3 Ų55.33%0.03130%0.298CS..EExtended strand (participates in β ladder)trans-114.6122.9178.8-59.2-55000108.7A13 L14 R15 C16 F53 T59 V64 T67 A68A13-F55 HydrophobicContact CB-CD2 4.3Å; A13-F55 HydrophobicContact CB-CE2 3.87Å; L14-F55 WeakPolarHBondContact O-CB 3.47Å; L14-F55 WeakPolarHBondContact O-CD2 3.37Å; L14-F55 PolarHBondContact O-N 3.06Å; R15-F55 HydrophobicContact CB-CB 4.31Å; R15-F55 HydrophobicContact CG-CB 4.09Å; C16-F55 PolarHBondContact N-O 3.4Å; F53-F55 HydrophobicContact CB-CE1 4.45Å; F53-F55 HydrophobicContact CB-CE2 3.98Å; F53-F55 HydrophobicContact CB-CZ 3.88Å; F53-F55 HydrophobicContact CG-CZ 4.37Å; F55-T59 WeakPolarHBondContact CA-OG1 3.33Å; F55-T59 HydrophobicContact CB-CG2 3.87Å; F55-T59 HydrophobicContact CD1-CG2 3.52Å; F55-T59 HydrophobicContact CE1-CG2 4.28Å; F55-T59 HydrophobicContact CG-CG2 3.91Å; F55-V64 HydrophobicContact CB-CG2 4.34Å; F55-V64 HydrophobicContact CD1-CG2 4.32Å; F55-V64 HydrophobicContact CD2-CB 4.41Å; F55-V64 HydrophobicContact CD2-CG1 4.23Å; F55-V64 HydrophobicContact CD2-CG2 3.75Å; F55-V64 HydrophobicContact CE2-CB 4.22Å; F55-V64 HydrophobicContact CE2-CG1 3.96Å; F55-V64 HydrophobicContact CE2-CG2 4.03Å; F55-V64 HydrophobicContact CG-CG2 3.89Å; F55-V64 HydrophobicContact CZ-CG2 4.43Å; F55-T67 HydrophobicContact CE1-CG2 4.24Å; F55-T67 HydrophobicContact CZ-CG2 4.16Å; F55-A68 HydrophobicContact CE2-CB 4.11Å; F55-A68 HydrophobicContact CZ-CB 4.12Å
56D94.4Very high93.6Very high48 Ų4852.9 Ų52.926%0.25728%0.281SS..  trans-82.1176.4-178.484.7-59.9000111F34 S58 T59F34-D56 HydrophobicContact CD1-CB 4.31Å; F34-D56 HydrophobicContact CD2-CB 4.16Å; F34-D56 HydrophobicContact CE2-CB 4.49Å; F34-D56 HydrophobicContact CG-CB 4.08Å; D56-S58 VanDerWaalsContact CG-OG 3.23Å; D56-S58 PolarHBondContact O-N 3.17Å; D56-S58 VanDerWaalsContact O-N 3.15Å; D56-S58 PolarHBondContact OD1-OG 2.95Å; D56-S58 VanDerWaalsContact OD1-OG 3.09Å; D56-S58 VanDerWaalsContact OD2-CB 3.3Å; D56-S58 WeakPolarHBondContact OD2-CB 3.45Å; D56-S58 PolarHBondContact OD2-N 2.64Å; D56-S58 PolarHBondContact OD2-OG 2.88Å; D56-T59 PolarHBondContact N-OG1 2.85Å; D56-T59 VanDerWaalsContact N-OG1 3.08Å; D56-T59 PolarHBondContact O-N 3.29Å; D56-T59 PolarHBondContact O-OG1 2.95Å; D56-T59 PolarHBondContact OD1-N 3.44Å; D56-T59 PolarHBondContact OD1-OG1 3.04Å
57P95.1Very high94.7Very high29 Ų2950.6 Ų50.619%0.18827%0.271CS..THydrogen-bonded Turntrans-57.4-22.6176.2-28.338.1000116.4C16 P18 M30 F34C16-P57 HydrophobicContact CB-CG 4.22Å; P18-P57 WeakPolarHBondContact CD-O 3.39Å; P18-P57 HydrophobicContact CG-CB 4.29Å; P18-P57 WeakPolarHBondContact CG-O 3.49Å; M30-P57 HydrophobicContact CE-CG 4.04Å; F34-P57 HydrophobicContact CE2-CG 4.3Å
58S93.1Very high95Very high96 Ų9646.3 Ų46.367%0.67125%0.253SS*.THydrogen-bonded Turntrans-87-14.217870.20000114.5D56 E60D56-S58 VanDerWaalsContact CG-OG 3.23Å; D56-S58 PolarHBondContact O-N 3.17Å; D56-S58 VanDerWaalsContact O-N 3.15Å; D56-S58 PolarHBondContact OD1-OG 2.95Å; D56-S58 VanDerWaalsContact OD1-OG 3.09Å; D56-S58 VanDerWaalsContact OD2-CB 3.3Å; D56-S58 WeakPolarHBondContact OD2-CB 3.45Å; D56-S58 PolarHBondContact OD2-N 2.64Å; D56-S58 PolarHBondContact OD2-OG 2.88Å; S58-E60 PolarHBondContact O-N 2.63Å
59T94.2Very high95.1Very high13 Ų1343 Ų438%0.0823%0.23CC..  trans-65.5117.1-176.7-50.40000113R15 F55 D56 E63 V64R15-T59 PolarHBondContact NH2-O 3.41Å; F55-T59 WeakPolarHBondContact CA-OG1 3.33Å; F55-T59 HydrophobicContact CB-CG2 3.87Å; F55-T59 HydrophobicContact CD1-CG2 3.52Å; F55-T59 HydrophobicContact CE1-CG2 4.28Å; F55-T59 HydrophobicContact CG-CG2 3.91Å; D56-T59 PolarHBondContact N-OG1 2.85Å; D56-T59 VanDerWaalsContact N-OG1 3.08Å; D56-T59 PolarHBondContact O-N 3.29Å; D56-T59 PolarHBondContact O-OG1 2.95Å; D56-T59 PolarHBondContact OD1-N 3.44Å; D56-T59 PolarHBondContact OD1-OG1 3.04Å; T59-E63 HydrophobicContact CG2-CB 3.94Å; T59-E63 HydrophobicContact CG2-CG 3.98Å; T59-V64 HydrophobicContact CG2-CG2 3.75Å
60E93.6Very high95.1Very high123 Ų12341.8 Ų41.858%0.57523%0.226SC*.  trans-70.6162.5179-67.3-161.9173.400114.4S58 E62 E63 V64S58-E60 PolarHBondContact O-N 2.63Å; E60-E62 VanDerWaalsContact C-N 3.26Å; E60-E62 PolarHBondContact O-N 2.98Å; E60-E63 PolarHBondContact O-N 3.38Å; E60-V64 WeakPolarHBondContact O-CG2 3.26Å; E60-V64 PolarHBondContact O-N 3.36Å
61Q93.1Very high95Very high5 Ų542.3 Ų42.32%0.02323%0.231CC..Hα-helixtrans-58.2-36.5177-63.5-8456.400113F65 Y96 P110 T111 V112Q61-F65 WeakPolarHBondContact O-CB 3.42Å; Q61-F65 PolarHBondContact O-N 2.94Å; Q61-F65 VanDerWaalsContact O-N 3.12Å; Q61-Y96 HydrophobicContact CG-CE1 4.16Å; Q61-Y96 PolarHBondContact NE2-O 3.04Å; Q61-P110 WeakPolarHBondContact CB-O 3.48Å; Q61-T111 WeakPolarHBondContact CG-O 3.27Å; Q61-T111 PolarHBondContact NE2-O 3.48Å; Q61-V112 WeakPolarHBondContact CB-O 3.49Å
62E93.4Very high94.8Very high94 Ų9443 Ų4344%0.43924%0.235SC..Hα-helixtrans-67.5-42.2-179.5-177.8138.5172.500112.2E60 F65 N66 R117E60-E62 VanDerWaalsContact C-N 3.26Å; E60-E62 PolarHBondContact O-N 2.98Å; E62-F65 PolarHBondContact O-N 2.87Å; E62-N66 WeakPolarHBondContact CG-ND2 3.49Å; E62-N66 WeakPolarHBondContact O-CB 3.24Å; E62-N66 PolarHBondContact O-N 3.36Å; E62-N66 PolarHBondContact O-ND2 3.32Å; E62-N66 PolarHBondContact OE1-ND2 3.45Å; E62-R117 VanDerWaalsContact CD-NH1 3.34Å; E62-R117 IonicContact OE2-CZ 2.68Å; E62-R117 IonicContact OE2-NH1 3.54Å; E62-R117 PolarHBondContact OE2-NH1 3.46Å; E62-R117 IonicContact OE2-NH2 3.44Å
63E94.6Very high94.6Very high102 Ų10241.4 Ų41.448%0.47723%0.226SC..Hα-helixtrans-65.9-45.8179.1-176.8172.4-173.300111.3T59 E60 F65 N66 T67T59-E63 HydrophobicContact CG2-CB 3.94Å; T59-E63 HydrophobicContact CG2-CG 3.98Å; E60-E63 PolarHBondContact O-N 3.38Å; E63-F65 PolarHBondContact O-N 2.95Å; E63-N66 PolarHBondContact O-N 2.86Å; E63-T67 WeakPolarHBondContact O-CB 3.5Å; E63-T67 PolarHBondContact O-N 2.83Å; E63-T67 PolarHBondContact O-OG1 3.17Å
64V95.1Very high94.3Very high0 Ų044.1 Ų44.10%024%0.238CC..Hα-helixtrans-55.2-42.9173.81760000111.2F55 T59 E60 A68F55-V64 HydrophobicContact CB-CG2 4.34Å; F55-V64 HydrophobicContact CD1-CG2 4.32Å; F55-V64 HydrophobicContact CD2-CB 4.41Å; F55-V64 HydrophobicContact CD2-CG1 4.23Å; F55-V64 HydrophobicContact CD2-CG2 3.75Å; F55-V64 HydrophobicContact CE2-CB 4.22Å; F55-V64 HydrophobicContact CE2-CG1 3.96Å; F55-V64 HydrophobicContact CE2-CG2 4.03Å; F55-V64 HydrophobicContact CG-CG2 3.89Å; F55-V64 HydrophobicContact CZ-CG2 4.43Å; T59-V64 HydrophobicContact CG2-CG2 3.75Å; E60-V64 WeakPolarHBondContact O-CG2 3.26Å; E60-V64 PolarHBondContact O-N 3.36Å; V64-A68 WeakPolarHBondContact O-CB 3.35Å; V64-A68 PolarHBondContact O-N 3.4Å
65F96.3Very high93.9Very high12 Ų1243.4 Ų43.45%0.05324%0.236CC..Iπ-helixtrans-68-52.2177.7176.6-99.9000112.6Q61 E62 E63 T67 V69 A70 R117 V118 L121Q61-F65 WeakPolarHBondContact O-CB 3.42Å; Q61-F65 PolarHBondContact O-N 2.94Å; Q61-F65 VanDerWaalsContact O-N 3.12Å; E62-F65 PolarHBondContact O-N 2.87Å; E63-F65 PolarHBondContact O-N 2.95Å; F65-T67 PolarHBondContact O-N 3.02Å; F65-V69 HydrophobicContact CD2-CB 3.89Å; F65-V69 HydrophobicContact CD2-CG1 4.07Å; F65-V69 HydrophobicContact CE2-CB 4.3Å; F65-V69 HydrophobicContact CE2-CG1 4.07Å; F65-V69 CarbonylContact O-C 3.55Å; F65-V69 WeakPolarHBondContact O-CA 3.42Å; F65-V69 WeakPolarHBondContact O-CB 3.06Å; F65-V69 PolarHBondContact O-N 3.25Å; F65-A70 HydrophobicContact CE1-CB 4.15Å; F65-A70 HydrophobicContact CZ-CB 4.41Å; F65-A70 PolarHBondContact O-N 2.97Å; F65-R117 HydrophobicContact CD1-CB 4.02Å; F65-R117 HydrophobicContact CD2-CB 3.66Å; F65-R117 HydrophobicContact CE1-CB 4.03Å; F65-R117 HydrophobicContact CE2-CB 3.68Å; F65-R117 HydrophobicContact CG-CB 3.83Å; F65-R117 HydrophobicContact CZ-CB 3.86Å; F65-R117 VanDerWaalsContact CZ-O 3.28Å; F65-R117 WeakPolarHBondContact CZ-O 3.34Å; F65-V118 HydrophobicContact CE2-CB 4.5Å; F65-V118 HydrophobicContact CE2-CG2 3.8Å; F65-L121 HydrophobicContact CE1-CB 4.47Å; F65-L121 HydrophobicContact CE1-CD2 4.11Å; F65-L121 HydrophobicContact CZ-CB 3.88Å; F65-L121 HydrophobicContact CZ-CD2 3.62Å; F65-L121 HydrophobicContact CZ-CG 4.38Å
66N95.5Very high93.7Very high80 Ų8043 Ų4343%0.42824%0.235SC..Iπ-helixtrans-66.2-39.6-174.8-78.6-28.7000112.4E62 E63E62-N66 WeakPolarHBondContact CG-ND2 3.49Å; E62-N66 WeakPolarHBondContact O-CB 3.24Å; E62-N66 PolarHBondContact O-N 3.36Å; E62-N66 PolarHBondContact O-ND2 3.32Å; E62-N66 PolarHBondContact OE1-ND2 3.45Å; E63-N66 PolarHBondContact O-N 2.86Å
67T94.6Very high93.5Very high60 Ų6041.6 Ų41.637%0.36823%0.227SC..Iπ-helixtrans-79-50-176.8-62.10000112.2F53 F55 E63 F65F53-T67 HydrophobicContact CD1-CG2 3.67Å; F53-T67 HydrophobicContact CE1-CG2 3.79Å; F55-T67 HydrophobicContact CE1-CG2 4.24Å; F55-T67 HydrophobicContact CZ-CG2 4.16Å; E63-T67 WeakPolarHBondContact O-CB 3.5Å; E63-T67 PolarHBondContact O-N 2.83Å; E63-T67 PolarHBondContact O-OG1 3.17Å; F65-T67 PolarHBondContact O-N 3.02Å
68A94.7Very high93.3Very high7 Ų746.9 Ų46.96%0.05825%0.246CC..Iπ-helixtrans-96.3-40.3-17300000114A13 F53 F55 V64 L308A13-A68 HydrophobicContact CB-CB 4.34Å; F53-A68 HydrophobicContact CD2-CB 3.91Å; F53-A68 HydrophobicContact CE2-CB 3.99Å; F53-A68 HydrophobicContact CG-CB 4.32Å; F53-A68 HydrophobicContact CZ-CB 4.48Å; F55-A68 HydrophobicContact CE2-CB 4.11Å; F55-A68 HydrophobicContact CZ-CB 4.12Å; V64-A68 WeakPolarHBondContact O-CB 3.35Å; V64-A68 PolarHBondContact O-N 3.4Å; A68-L308 HydrophobicContact CB-CD1 4.46Å; A68-L308 HydrophobicContact CB-CD2 3.92Å
69V96.3Very high93.1Very high0 Ų042.3 Ų42.30%022%0.215CC..Iπ-helixtrans-95.5-46-167.2-174.20000113.2F65 P71 L72 I73 V84 V114 V118 L308 I310F65-V69 HydrophobicContact CD2-CB 3.89Å; F65-V69 HydrophobicContact CD2-CG1 4.07Å; F65-V69 HydrophobicContact CE2-CB 4.3Å; F65-V69 HydrophobicContact CE2-CG1 4.07Å; F65-V69 CarbonylContact O-C 3.55Å; F65-V69 WeakPolarHBondContact O-CA 3.42Å; F65-V69 WeakPolarHBondContact O-CB 3.06Å; F65-V69 PolarHBondContact O-N 3.25Å; V69-P71 VanDerWaalsContact C-N 3.31Å; V69-L72 WeakPolarHBondContact O-CA 3.19Å; V69-L72 VanDerWaalsContact O-CB 3.3Å; V69-L72 WeakPolarHBondContact O-CB 3.39Å; V69-L72 PolarHBondContact O-N 3.24Å; V69-I73 HydrophobicContact CG1-CD1 4.13Å; V69-I73 HydrophobicContact CG1-CG1 4.08Å; V69-I73 PolarHBondContact O-N 3.04Å; V69-V84 HydrophobicContact CG1-CG2 4.09Å; V69-V114 HydrophobicContact CG1-CG1 3.98Å; V69-V114 HydrophobicContact CG2-CG1 4.21Å; V69-V114 HydrophobicContact CG2-CG2 3.99Å; V69-V118 HydrophobicContact CG1-CG2 4.03Å; V69-L308 HydrophobicContact CG2-CD2 3.82Å; V69-I310 HydrophobicContact CG2-CD1 4.46Å
70A94.6Very high93Very high7 Ų744.9 Ų44.96%0.05822%0.223CC..Hα-helixtrans-56.1-33.5-176.800000114.7F65 L72 K74 L121F65-A70 HydrophobicContact CE1-CB 4.15Å; F65-A70 HydrophobicContact CZ-CB 4.41Å; F65-A70 PolarHBondContact O-N 2.97Å; A70-L72 VanDerWaalsContact C-N 3.33Å; A70-L72 PolarHBondContact O-N 3.31Å; A70-K74 WeakPolarHBondContact O-CG 3.47Å; A70-K74 PolarHBondContact O-N 3.21Å; A70-L121 HydrophobicContact CB-CD2 3.9Å
71P92.6Very high93Very high76 Ų7639.8 Ų39.849%0.49420%0.2SC..Hα-helixtrans-63.3-35.8171.4-23.535.5000113.5V69V69-P71 VanDerWaalsContact C-N 3.31Å
72L92.7Very high93.2Very high24 Ų2439.6 Ų39.613%0.12620%0.2CC..Hα-helixtrans-69.2-42.9178.9177.760.7000111.5V69 A70 K74 G75 A82 V84 H306 L308V69-L72 WeakPolarHBondContact O-CA 3.19Å; V69-L72 VanDerWaalsContact O-CB 3.3Å; V69-L72 WeakPolarHBondContact O-CB 3.39Å; V69-L72 PolarHBondContact O-N 3.24Å; A70-L72 VanDerWaalsContact C-N 3.33Å; A70-L72 PolarHBondContact O-N 3.31Å; L72-K74 VanDerWaalsContact C-N 3.26Å; L72-K74 PolarHBondContact O-N 2.92Å; L72-G75 WeakPolarHBondContact O-CA 3.48Å; L72-G75 PolarHBondContact O-N 3.18Å; L72-A82 HydrophobicContact CD1-CB 3.7Å; L72-A82 HydrophobicContact CD2-CB 4.24Å; L72-A82 HydrophobicContact CG-CB 3.82Å; L72-V84 HydrophobicContact CD2-CG2 3.74Å; L72-H306 HydrophobicContact CD1-CB 3.36Å; L72-H306 WeakPolarHBondContact CD1-O 3.45Å; L72-L308 HydrophobicContact CD2-CB 3.98Å
73I93.2Very high93.4Very high1 Ų135.1 Ų35.11%0.00518%0.179CC..Hα-helixtrans-61.8-35.6178.4-51.9-49.5000111.4V69 G75 V76 F77 V118 L121 L122 L236V69-I73 HydrophobicContact CG1-CD1 4.13Å; V69-I73 HydrophobicContact CG1-CG1 4.08Å; V69-I73 PolarHBondContact O-N 3.04Å; I73-G75 PolarHBondContact O-N 3.02Å; I73-V76 WeakPolarHBondContact O-CB 3.39Å; I73-V76 PolarHBondContact O-N 3.01Å; I73-F77 HydrophobicContact CG2-CE2 4.47Å; I73-V118 HydrophobicContact CD1-CG1 4.09Å; I73-V118 HydrophobicContact CD1-CG2 3.83Å; I73-V118 HydrophobicContact CG1-CG2 4.09Å; I73-L121 HydrophobicContact CB-CD2 3.95Å; I73-L121 HydrophobicContact CG1-CD2 4.28Å; I73-L121 HydrophobicContact CG2-CD2 4.07Å; I73-L121 HydrophobicContact CG2-CG 4.35Å; I73-L122 HydrophobicContact CG2-CD2 3.75Å; I73-L122 HydrophobicContact CG2-CG 4.13Å; I73-L236 HydrophobicContact CD1-CD1 3.93Å; I73-L236 HydrophobicContact CD1-CD2 3.72Å
74K89.4Confident93.5Very high113 Ų11330.3 Ų30.349%0.49116%0.156SC..Hα-helixtrans-64.3-18173.1-68.2168.8-175.6172.60113.5A70 L72A70-K74 WeakPolarHBondContact O-CG 3.47Å; A70-K74 PolarHBondContact O-N 3.21Å; L72-K74 VanDerWaalsContact C-N 3.26Å; L72-K74 PolarHBondContact O-N 2.92Å
75G89.7Confident93.6Very high14 Ų1430.5 Ų30.514%0.14416%0.157CC..Hα-helixtrans-76-30.5171.200000113.6L72 I73 F77 K78 Y80L72-G75 WeakPolarHBondContact O-CA 3.48Å; L72-G75 PolarHBondContact O-N 3.18Å; I73-G75 PolarHBondContact O-N 3.02Å; G75-F77 VanDerWaalsContact C-N 3.33Å; G75-F77 PolarHBondContact O-N 3.02Å; G75-K78 WeakPolarHBondContact O-CA 3.45Å; G75-K78 WeakPolarHBondContact O-CB 3.46Å; G75-K78 PolarHBondContact O-N 2.84Å; G75-Y80 WeakPolarHBondContact O-CD2 3.35Å
76V92.3Very high93.6Very high0 Ų029.9 Ų29.90%015%0.154CC..Hα-helixtrans-63.4-40.1-178.7-1740000110.9I73 K78 G79 A82 I220 S234 L236I73-V76 WeakPolarHBondContact O-CB 3.39Å; I73-V76 PolarHBondContact O-N 3.01Å; V76-K78 PolarHBondContact O-N 3Å; V76-G79 PolarHBondContact O-N 2.99Å; V76-A82 HydrophobicContact CG2-CB 3.63Å; V76-I220 HydrophobicContact CG1-CD1 3.56Å; V76-S234 WeakPolarHBondContact CG1-OG 3.28Å; V76-S234 PolarHBondContact O-OG 3.39Å; V76-L236 HydrophobicContact CG2-CD1 4.46Å
77F90.2Very high93.6Very high18 Ų1826.8 Ų26.88%0.07914%0.137CC..THydrogen-bonded Turntrans-66.81.5171.5-67.4-74.5000115.6I73 G75 L122 E125 I126 K129 F134 Q222I73-F77 HydrophobicContact CG2-CE2 4.47Å; G75-F77 VanDerWaalsContact C-N 3.33Å; G75-F77 PolarHBondContact O-N 3.02Å; F77-L122 HydrophobicContact CE2-CD2 3.77Å; F77-L122 HydrophobicContact CZ-CD2 3.75Å; F77-E125 HydrophobicContact CD2-CB 4.1Å; F77-E125 HydrophobicContact CE1-CB 4.23Å; F77-E125 HydrophobicContact CE2-CB 3.35Å; F77-E125 HydrophobicContact CE2-CG 4.06Å; F77-E125 HydrophobicContact CZ-CB 3.43Å; F77-E125 VanDerWaalsContact CZ-CB 3.43Å; F77-I126 HydrophobicContact CE1-CG1 3.88Å; F77-I126 HydrophobicContact CZ-CG1 4.17Å; F77-K129 HydrophobicContact CD1-CD 4.13Å; F77-F134 AromaticContact CD1-CE1 3.83Å; F77-F134 HydrophobicContact CD1-CE1 3.83Å; F77-F134 HydrophobicContact CD1-CZ 4.2Å; F77-F134 AromaticContact CE1-CE1 3.82Å; F77-F134 HydrophobicContact CE1-CE1 3.82Å; F77-F134 HydrophobicContact CE1-CZ 4.22Å; F77-Q222 PolarHBondContact O-OE1 3.46Å
78K89.5Confident93.5Very high139 Ų13923.9 Ų23.960%0.60412%0.119SC*.THydrogen-bonded Turntrans-107.98.5169.6-54.2-179.4-177.4-1790112.1G75 V76 Y80 V342G75-K78 WeakPolarHBondContact O-CA 3.45Å; G75-K78 WeakPolarHBondContact O-CB 3.46Å; G75-K78 PolarHBondContact O-N 2.84Å; V76-K78 PolarHBondContact O-N 3Å; K78-Y80 HydrophobicContact CB-CD2 3.84Å; K78-Y80 HydrophobicContact CB-CE2 3.91Å; K78-Y80 HydrophobicContact CD-CE2 4.38Å; K78-V342 WeakPolarHBondContact O-CG1 3.3Å
79G89.1Confident93.2Very high1 Ų123.8 Ų23.81%0.0112%0.117CC..THydrogen-bonded Turntrans83.17.9-179.200000115V76 N343V76-G79 PolarHBondContact O-N 2.99Å; G79-N343 WeakPolarHBondContact O-CB 3.24Å; G79-N343 PolarHBondContact O-N 2.96Å; G79-N343 PolarHBondContact O-ND2 3.27Å
80Y93.1Very high92.7Very high66 Ų6624.1 Ų24.126%0.25912%0.119SC..  trans-80.7145173.4-63-73.8000111.5G75 K78 S234 H306 P340 I341 V342G75-Y80 WeakPolarHBondContact O-CD2 3.35Å; K78-Y80 HydrophobicContact CB-CD2 3.84Å; K78-Y80 HydrophobicContact CB-CE2 3.91Å; K78-Y80 HydrophobicContact CD-CE2 4.38Å; Y80-S234 VanDerWaalsContact O-CB 3.26Å; Y80-S234 WeakPolarHBondContact O-CB 3.42Å; Y80-H306 AromaticContact CG-CD2 3.88Å; Y80-P340 HydrophobicContact CD1-CB 4.03Å; Y80-I341 WeakPolarHBondContact CD1-O 3.21Å; Y80-V342 HydrophobicContact CD1-CG2 4.34Å; Y80-V342 HydrophobicContact CE1-CG2 3.72Å; Y80-V342 HydrophobicContact CE2-CG2 4.16Å
81N94.1Very high92.2Very high17 Ų1724.9 Ų24.99%0.09113%0.128CC..  trans-72.8152.4163.9-57.4-42.2000110K235 N304 H306 N343N81-K235 CarbonylContact C-O 3.27Å; N81-K235 VanDerWaalsContact CA-O 3.27Å; N81-K235 WeakPolarHBondContact CA-O 3.26Å; N81-K235 PolarHBondContact OD1-N 3.43Å; N81-N304 WeakPolarHBondContact CB-O 3.31Å; N81-N304 PolarHBondContact ND2-ND2 2.88Å; N81-N304 PolarHBondContact ND2-O 3.27Å; N81-H306 PolarHBondContact O-N 3.2Å; N81-N343 PolarHBondContact N-ND2 2.89Å; N81-N343 PolarHBondContact ND2-ND2 3.01Å; N81-N343 PolarHBondContact ND2-OD1 2.9Å
82A96.3Very high92.1Very high1 Ų121.4 Ų21.41%0.00811%0.106CC..EExtended strand (participates in β ladder)trans-139.6147.9178.700000111.8L72 V76 K235 L236 H237 S305 H306L72-A82 HydrophobicContact CD1-CB 3.7Å; L72-A82 HydrophobicContact CD2-CB 4.24Å; L72-A82 HydrophobicContact CG-CB 3.82Å; V76-A82 HydrophobicContact CG2-CB 3.63Å; A82-K235 PolarHBondContact N-O 2.93Å; A82-L236 HydrophobicContact CB-CD1 3.64Å; A82-L236 CarbonylContact O-C 3.56Å; A82-L236 WeakPolarHBondContact O-CA 3.24Å; A82-H237 PolarHBondContact O-N 2.97Å; A82-S305 VanDerWaalsContact C-OG 3.29Å; A82-S305 WeakPolarHBondContact CA-OG 3.42Å; A82-S305 PolarHBondContact N-OG 2.82Å; A82-H306 CarbonylContact C-O 3.57Å; A82-H306 VanDerWaalsContact CA-O 3.26Å; A82-H306 WeakPolarHBondContact CA-O 3.46Å
83T97.4Very high92Very high0 Ų021 Ų210%011%0.108CC..EExtended strand (participates in β ladder)trans-136.4129175.9-54.30000110.9L85 H237 V239 S300 S305 H306 T307 L308T83-L85 HydrophobicContact CG2-CD2 4.12Å; T83-H237 CarbonylContact C-O 3.59Å; T83-H237 WeakPolarHBondContact CA-O 3.44Å; T83-H237 HydrophobicContact CG2-CB 4.08Å; T83-V239 HydrophobicContact CG2-CG2 4.38Å; T83-S300 WeakPolarHBondContact CG2-OG 3.49Å; T83-S300 WeakPolarHBondContact OG1-CB 3.49Å; T83-S300 PolarHBondContact OG1-OG 3.07Å; T83-S305 PolarHBondContact N-OG 3.17Å; T83-S305 PolarHBondContact OG1-OG 3.49Å; T83-S305 VanDerWaalsContact OG1-OG 3.1Å; T83-H306 PolarHBondContact N-O 3.06Å; T83-T307 HydrophobicContact CG2-CG2 4.34Å; T83-T307 CarbonylContact O-C 3.56Å; T83-T307 WeakPolarHBondContact O-CA 3.41Å; T83-L308 PolarHBondContact O-N 2.98Å
84V97.9Very high92Very high0 Ų021.4 Ų21.40%011%0.11CC..EExtended strand (participates in β ladder)trans-112.7123.4164.9-175.70000108V69 L72 M98 H237 L238 V239 L308 I310V69-V84 HydrophobicContact CG1-CG2 4.09Å; L72-V84 HydrophobicContact CD2-CG2 3.74Å; V84-M98 HydrophobicContact CB-CE 4.46Å; V84-M98 HydrophobicContact CG1-CE 4.21Å; V84-M98 HydrophobicContact CG1-SD 4.1Å; V84-H237 PolarHBondContact N-O 3.46Å; V84-L238 HydrophobicContact CB-CD2 3.95Å; V84-L238 HydrophobicContact CG2-CD2 4Å; V84-V239 PolarHBondContact O-N 2.95Å; V84-L308 WeakPolarHBondContact CA-O 3.41Å; V84-L308 HydrophobicContact CG1-CD2 4.46Å; V84-I310 HydrophobicContact CG1-CD1 3.7Å; V84-I310 HydrophobicContact CG1-CG1 4.14Å
85L96.3Very high92Very high4 Ų416.9 Ų16.92%0.0219%0.091CC..EExtended strand (participates in β ladder)trans-125.4130.5175.664.4152.1000112.4T83 V239 L241 T307 L308 M309 I310T83-L85 HydrophobicContact CG2-CD2 4.12Å; L85-V239 WeakPolarHBondContact CA-O 3.38Å; L85-V239 HydrophobicContact CB-CB 3.87Å; L85-V239 HydrophobicContact CB-CG1 4.25Å; L85-L241 HydrophobicContact CD1-CD1 4.23Å; L85-T307 HydrophobicContact CD2-CG2 3.39Å; L85-L308 PolarHBondContact N-O 2.9Å; L85-M309 HydrophobicContact CD2-CB 4.38Å; L85-M309 HydrophobicContact CG-CB 4.35Å; L85-M309 HydrophobicContact CG-CG 4.4Å; L85-M309 CarbonylContact O-C 3.55Å; L85-M309 WeakPolarHBondContact O-CA 3.26Å; L85-I310 PolarHBondContact O-N 3.26Å
86A96.1Very high92Very high0 Ų022.2 Ų22.20%011%0.108CC..EExtended strand (participates in β ladder)trans-93.113217100000111.2K94 M98 V239 L241 I310A86-K94 HydrophobicContact CB-CB 3.86Å; A86-K94 HydrophobicContact CB-CG 4.17Å; A86-M98 HydrophobicContact CB-CG 3.56Å; A86-M98 HydrophobicContact CB-SD 3.92Å; A86-V239 PolarHBondContact N-O 3.09Å; A86-L241 WeakPolarHBondContact O-CB 3.28Å; A86-L241 WeakPolarHBondContact O-CG 3.41Å; A86-L241 PolarHBondContact O-N 3.17Å; A86-I310 WeakPolarHBondContact CA-O 3.31Å
87Y95.1Very high92.1Very high14 Ų1422.3 Ų22.36%0.05511%0.108CC..EExtended strand (participates in β ladder)trans-136155.1-176.1177-96.5000112L241 L267 M309 I310 C312 T326 Y329Y87-L241 HydrophobicContact CD2-CD1 3.88Å; Y87-L267 HydrophobicContact CD2-CD2 4.38Å; Y87-L267 HydrophobicContact CE2-CD2 4.14Å; Y87-M309 HydrophobicContact CD1-CE 3.34Å; Y87-M309 HydrophobicContact CE1-CE 4.24Å; Y87-M309 HydrophobicContact CG-CE 3.67Å; Y87-I310 PolarHBondContact N-O 3.32Å; Y87-C312 PolarHBondContact O-N 3.5Å; Y87-T326 HydrophobicContact CD1-CG2 4Å; Y87-T326 HydrophobicContact CE1-CG2 4.11Å; Y87-Y329 AromaticContact CD1-CD1 3.92Å; Y87-Y329 HydrophobicContact CD1-CD1 3.92Å; Y87-Y329 HydrophobicContact CD1-CE1 4.24Å; Y87-Y329 HydrophobicContact CD1-CG 4.48Å; Y87-Y329 HydrophobicContact CD2-CE1 4.07Å; Y87-Y329 AromaticContact CE1-CD1 3.48Å; Y87-Y329 HydrophobicContact CE1-CD1 3.48Å; Y87-Y329 VanDerWaalsContact CE1-CD1 3.48Å; Y87-Y329 HydrophobicContact CE1-CD2 4.23Å; Y87-Y329 AromaticContact CE1-CE1 3.88Å; Y87-Y329 HydrophobicContact CE1-CE1 3.88Å; Y87-Y329 AromaticContact CE1-CG 3.64Å; Y87-Y329 HydrophobicContact CE1-CG 3.64Å; Y87-Y329 HydrophobicContact CE2-CD1 4.18Å; Y87-Y329 AromaticContact CE2-CE1 3.7Å; Y87-Y329 HydrophobicContact CE2-CE1 3.7Å; Y87-Y329 HydrophobicContact CE2-CE2 4.27Å; Y87-Y329 AromaticContact CE2-CZ 3.73Å; Y87-Y329 HydrophobicContact CG-CD1 4.45Å; Y87-Y329 HydrophobicContact CG-CE1 4.33Å; Y87-Y329 AromaticContact CZ-CD1 3.63Å; Y87-Y329 AromaticContact CZ-CD2 3.85Å; Y87-Y329 AromaticContact CZ-CE1 3.6Å; Y87-Y329 AromaticContact CZ-CE2 3.85Å; Y87-Y329 AromaticContact CZ-CG 3.72Å; Y87-Y329 AromaticContact CZ-CZ 3.71Å; Y87-Y329 VanDerWaalsContact OH-CD2 3.31Å; Y87-Y329 WeakPolarHBondContact OH-CD2 3.45Å; Y87-Y329 WeakPolarHBondContact OH-CE2 3.42Å
88G92.9Very high92.3Very high0 Ų021.4 Ų21.40%011%0.105CC..SBendtrans132-173.2178.500000113.5K94 S244G88-K94 PolarHBondContact O-NZ 3.07Å; G88-S244 PolarHBondContact O-N 2.96Å; G88-S244 PolarHBondContact O-OG 3.3Å
89Q88.7Confident92.1Very high4 Ų415.2 Ų15.22%0.0198%0.08CC..SBendtrans-61.8154.8-177.7-158-171.6-8.200113.2G91 S92 K94 S244 E245 N319 E322Q89-G91 PolarHBondContact O-N 3.06Å; Q89-S92 WeakPolarHBondContact O-CB 3.48Å; Q89-S92 PolarHBondContact O-N 3.45Å; Q89-S92 PolarHBondContact O-OG 3.26Å; Q89-K94 VanDerWaalsContact C-NZ 3.31Å; Q89-K94 PolarHBondContact O-NZ 3.18Å; Q89-S244 PolarHBondContact N-OG 3.49Å; Q89-E245 HydrophobicContact CG-CB 3.93Å; Q89-N319 PolarHBondContact NE2-OD1 2.81Å; Q89-N319 PolarHBondContact OE1-OD1 3.33Å; Q89-E322 HydrophobicContact CB-CB 4.32Å; Q89-E322 HydrophobicContact CG-CB 4.02Å; Q89-E322 HydrophobicContact CG-CG 4.32Å
90T85.6Confident91.1Very high7 Ų715.4 Ų15.44%0.0438%0.082CC..THydrogen-bonded Turntrans-54.1137162-79.10000110.5S92 N206 S210 G243 E245T90-S92 VanDerWaalsContact C-N 3.25Å; T90-S92 PolarHBondContact O-N 3.25Å; T90-N206 HydrophobicContact CG2-CB 4.05Å; T90-S210 WeakPolarHBondContact OG1-CB 3.44Å; T90-G243 WeakPolarHBondContact OG1-CA 3.5Å; T90-E245 WeakPolarHBondContact CB-OE1 3.34Å; T90-E245 WeakPolarHBondContact CB-OE2 3.22Å; T90-E245 PolarHBondContact N-OE2 2.88Å; T90-E245 PolarHBondContact OG1-OE1 3.46Å; T90-E245 PolarHBondContact OG1-OE2 3.38Å; T90-E245 VanDerWaalsContact OG1-OE2 3.1Å
91G84.4Confident90Very high24 Ų2414.4 Ų14.425%0.2479%0.088CC..THydrogen-bonded Turntrans74.35.6-177.300000115.1R17 Q89 N206R17-G91 PolarHBondContact NE-O 3.28Å; R17-G91 PolarHBondContact NH2-O 3.45Å; R17-G91 VanDerWaalsContact NH2-O 3.11Å; Q89-G91 PolarHBondContact O-N 3.06Å; G91-N206 WeakPolarHBondContact CA-ND2 3.47Å
92S90.7Very high89.2Confident2 Ų213.8 Ų13.81%0.0148%0.084CC..SBendtrans-82.5-7.2176.977.20000115.1Q89 T90 C312Q89-S92 WeakPolarHBondContact O-CB 3.48Å; Q89-S92 PolarHBondContact O-N 3.45Å; Q89-S92 PolarHBondContact O-OG 3.26Å; T90-S92 VanDerWaalsContact C-N 3.25Å; T90-S92 PolarHBondContact O-N 3.25Å; S92-C312 WeakPolarHBondContact CB-O 3.42Å; S92-C312 WeakPolarHBondContact O-CB 3.49Å; S92-C312 WeakPolarHBondContact OG-CB 3.46Å; S92-C312 PolarHBondContact OG-O 3.23Å
93G90.6Very high87.9Confident17 Ų1716.1 Ų16.118%0.17510%0.098CC..SBendtrans108.111.8175.700000116.7Y96 S97G93-Y96 PolarHBondContact O-N 3.49Å; G93-S97 WeakPolarHBondContact O-CB 3.43Å; G93-S97 PolarHBondContact O-N 3Å; G93-S97 PolarHBondContact O-OG 2.94Å
94K92.3Very high86.6Confident9 Ų918.5 Ų18.54%0.03912%0.118CC..Hα-helixtrans-52-64.1177.8-63.5-172.3-63.9-74.50113.4A86 G88 Q89 Y96 S97 M98 D240 L241 A242 C312A86-K94 HydrophobicContact CB-CB 3.86Å; A86-K94 HydrophobicContact CB-CG 4.17Å; G88-K94 PolarHBondContact O-NZ 3.07Å; Q89-K94 VanDerWaalsContact C-NZ 3.31Å; Q89-K94 PolarHBondContact O-NZ 3.18Å; K94-Y96 VanDerWaalsContact C-N 3.29Å; K94-Y96 PolarHBondContact O-N 2.93Å; K94-S97 WeakPolarHBondContact O-CB 3.45Å; K94-S97 PolarHBondContact O-N 3.27Å; K94-M98 PolarHBondContact O-N 2.86Å; K94-D240 WeakPolarHBondContact CB-OD1 3.37Å; K94-L241 WeakPolarHBondContact CE-O 3.12Å; K94-A242 VanDerWaalsContact CE-O 3.28Å; K94-A242 WeakPolarHBondContact CE-O 3.45Å; K94-C312 HydrophobicContact CG-CB 4.08Å
95T89.5Confident85.2Confident17 Ų1726.1 Ų26.110%0.10415%0.153CC..Hα-helixtrans-64.7-32.8-176.2-46.10000112.5M98 G99 G100 A101 S209 D240T95-M98 PolarHBondContact O-N 3.44Å; T95-G99 WeakPolarHBondContact O-CA 3.33Å; T95-G99 PolarHBondContact O-N 3.41Å; T95-G100 VanDerWaalsContact CG2-C 3.43Å; T95-G100 WeakPolarHBondContact CG2-O 3.39Å; T95-G100 PolarHBondContact O-N 3.39Å; T95-A101 HydrophobicContact CG2-CB 4.29Å; T95-S209 WeakPolarHBondContact CB-OG 3.31Å; T95-S209 VanDerWaalsContact OG1-CB 3.22Å; T95-S209 WeakPolarHBondContact OG1-CB 3.48Å; T95-S209 PolarHBondContact OG1-OG 2.88Å; T95-D240 VanDerWaalsContact CA-OD1 3.25Å; T95-D240 WeakPolarHBondContact CA-OD1 3.35Å; T95-D240 WeakPolarHBondContact CG2-OD2 3.44Å; T95-D240 PolarHBondContact N-OD1 3.49Å; T95-D240 VanDerWaalsContact N-OD1 3.12Å; T95-D240 VanDerWaalsContact OG1-CG 3.32Å; T95-D240 PolarHBondContact OG1-OD1 3.35Å; T95-D240 VanDerWaalsContact OG1-OD1 3.07Å; T95-D240 PolarHBondContact OG1-OD2 3.04Å
96Y90.6Very high84Confident127 Ų12729 Ų2950%0.49817%0.167SC..Hα-helixtrans-63.2-46.6171.4175.5-102.4000111.5Q61 G93 K94 M98 G99Q61-Y96 HydrophobicContact CG-CE1 4.16Å; Q61-Y96 PolarHBondContact NE2-O 3.04Å; G93-Y96 PolarHBondContact O-N 3.49Å; K94-Y96 VanDerWaalsContact C-N 3.29Å; K94-Y96 PolarHBondContact O-N 2.93Å; Y96-M98 PolarHBondContact O-N 3.03Å; Y96-G99 PolarHBondContact O-N 3.35Å
97S94.2Very high82.8Confident1 Ų132.7 Ų32.71%0.00718%0.184CC..Hα-helixtrans-64-39.8176.2-56.30000111.8R15 G93 K94 V114R15-S97 PolarHBondContact NH1-OG 3.49Å; G93-S97 WeakPolarHBondContact O-CB 3.43Å; G93-S97 PolarHBondContact O-N 3Å; G93-S97 PolarHBondContact O-OG 2.94Å; K94-S97 WeakPolarHBondContact O-CB 3.45Å; K94-S97 PolarHBondContact O-N 3.27Å; S97-V114 WeakPolarHBondContact O-CB 3.3Å; S97-V114 VanDerWaalsContact O-CG2 3.27Å; S97-V114 WeakPolarHBondContact O-CG2 3.18Å; S97-V114 PolarHBondContact O-N 3.04Å
98M93.3Very high81.7Confident0 Ų039.6 Ų39.60%022%0.222CC..Hα-helixtrans-77.2-25.5178.6-64.1-55.3-65.900113.7V84 A86 K94 T95 Y96 V114 I115 L238 D240V84-M98 HydrophobicContact CB-CE 4.46Å; V84-M98 HydrophobicContact CG1-CE 4.21Å; V84-M98 HydrophobicContact CG1-SD 4.1Å; A86-M98 HydrophobicContact CB-CG 3.56Å; A86-M98 HydrophobicContact CB-SD 3.92Å; K94-M98 PolarHBondContact O-N 2.86Å; T95-M98 PolarHBondContact O-N 3.44Å; Y96-M98 PolarHBondContact O-N 3.03Å; M98-V114 PolarHBondContact O-N 3.41Å; M98-I115 HydrophobicContact CB-CD1 4.26Å; M98-I115 HydrophobicContact CE-CD1 4.4Å; M98-I115 HydrophobicContact CE-CG1 4.2Å; M98-I115 WeakPolarHBondContact O-CB 3.35Å; M98-I115 WeakPolarHBondContact O-CD1 3.31Å; M98-I115 WeakPolarHBondContact O-CG1 3.46Å; M98-I115 PolarHBondContact O-N 3.16Å; M98-L238 HydrophobicContact CE-CB 3.91Å; M98-D240 HydrophobicContact CB-CB 4.35Å; M98-D240 HydrophobicContact CG-CB 4.22Å
99G85.6Confident81.2Confident8 Ų844 Ų448%0.08224%0.242CC..THydrogen-bonded Turntrans77.923.2-16800000113.6T95 Y96 A101 Y102T95-G99 WeakPolarHBondContact O-CA 3.33Å; T95-G99 PolarHBondContact O-N 3.41Å; Y96-G99 PolarHBondContact O-N 3.35Å; G99-A101 PolarHBondContact O-N 3.28Å; G99-Y102 WeakPolarHBondContact O-CB 3.43Å; G99-Y102 PolarHBondContact O-N 3.06Å
100G69.6Low80.7Confident6 Ų647.8 Ų47.86%0.06227%0.267CS..THydrogen-bonded Turntrans-74.419.3-178.600000115.4T95T95-G100 VanDerWaalsContact CG2-C 3.43Å; T95-G100 WeakPolarHBondContact CG2-O 3.39Å; T95-G100 PolarHBondContact O-N 3.39Å
101A68.2Low80.6Confident45 Ų4549.8 Ų49.837%0.37228%0.28SS..THydrogen-bonded Turntrans-142.217.717200000111.4T95 G99T95-A101 HydrophobicContact CG2-CB 4.29Å; G99-A101 PolarHBondContact O-N 3.28Å
102Y78.2Confident80.7Confident4 Ų448.9 Ų48.92%0.01627%0.269CS..  trans-65.7145.8178.3172.3-82.3000112G99 Q106 E107 V112 P116 V188 L191 E192 N195G99-Y102 WeakPolarHBondContact O-CB 3.43Å; G99-Y102 PolarHBondContact O-N 3.06Å; Y102-Q106 HydrophobicContact CD2-CB 4.21Å; Y102-Q106 HydrophobicContact CE2-CB 4.13Å; Y102-E107 VanDerWaalsContact OH-CA 3.23Å; Y102-E107 WeakPolarHBondContact OH-CA 3.48Å; Y102-E107 WeakPolarHBondContact OH-CB 3.35Å; Y102-V112 HydrophobicContact CD2-CG1 4.17Å; Y102-V112 HydrophobicContact CD2-CG2 4.2Å; Y102-V112 HydrophobicContact CE2-CG1 4.08Å; Y102-V112 HydrophobicContact CE2-CG2 3.91Å; Y102-P116 HydrophobicContact CD1-CG 4.13Å; Y102-P116 HydrophobicContact CD2-CB 4.16Å; Y102-P116 HydrophobicContact CD2-CG 3.48Å; Y102-P116 VanDerWaalsContact CD2-CG 3.48Å; Y102-P116 HydrophobicContact CE2-CB 4Å; Y102-P116 HydrophobicContact CE2-CG 3.84Å; Y102-P116 HydrophobicContact CG-CG 3.62Å; Y102-V188 HydrophobicContact CD1-CG1 4.31Å; Y102-V188 HydrophobicContact CE1-CG1 3.46Å; Y102-V188 VanDerWaalsContact CE1-CG1 3.46Å; Y102-L191 HydrophobicContact CD1-CD2 4.29Å; Y102-E192 HydrophobicContact CD1-CG 4.34Å; Y102-E192 WeakPolarHBondContact CE1-OE1 3.35Å; Y102-N195 PolarHBondContact N-ND2 3.49Å; Y102-N195 PolarHBondContact O-ND2 2.91Å
103T69.9Low80.8Confident50 Ų5049 Ų4931%0.30727%0.27SS..  trans-134.2159.617067.50000111.4E105 Q106T103-E105 WeakPolarHBondContact CB-OE2 3.24Å; T103-E105 PolarHBondContact O-N 2.92Å; T103-E105 VanDerWaalsContact O-N 3.13Å; T103-E105 PolarHBondContact OG1-OE2 3.5Å; T103-Q106 WeakPolarHBondContact O-CB 3.48Å; T103-Q106 PolarHBondContact O-N 2.94Å
104A68.6Low81Confident50 Ų5048.2 Ų48.241%0.41326%0.262SS..G310 helixtrans-56.3-31.7-174.300000114Q106 E107 E192A104-Q106 PolarHBondContact O-N 2.96Å; A104-Q106 VanDerWaalsContact O-N 3.15Å; A104-E107 PolarHBondContact O-N 2.82Å; A104-E192 VanDerWaalsContact CA-OE1 3.24Å; A104-E192 WeakPolarHBondContact CA-OE1 3.45Å; A104-E192 VanDerWaalsContact CB-OE1 3.32Å; A104-E192 WeakPolarHBondContact CB-OE1 3.36Å; A104-E192 PolarHBondContact N-OE1 3.26Å
105E68.4Low81.1Confident160 Ų16048 Ų4875%0.74826%0.261SS*.G310 helixtrans-63.3-19.8178.2-53.586175.200112.7T103T103-E105 WeakPolarHBondContact CB-OE2 3.24Å; T103-E105 PolarHBondContact O-N 2.92Å; T103-E105 VanDerWaalsContact O-N 3.13Å; T103-E105 PolarHBondContact OG1-OE2 3.5Å
106Q71.5Confident81.2Confident64 Ų6447.1 Ų47.130%0.29926%0.256SS..G310 helixtrans-90.6-2.1-177.4-59.7-177.4-28.400114.1Y102 T103 A104 N108 E109 V112Y102-Q106 HydrophobicContact CD2-CB 4.21Å; Y102-Q106 HydrophobicContact CE2-CB 4.13Å; T103-Q106 WeakPolarHBondContact O-CB 3.48Å; T103-Q106 PolarHBondContact O-N 2.94Å; A104-Q106 PolarHBondContact O-N 2.96Å; A104-Q106 VanDerWaalsContact O-N 3.15Å; Q106-N108 PolarHBondContact O-N 3.05Å; Q106-E109 PolarHBondContact O-N 3.22Å; Q106-V112 WeakPolarHBondContact O-CG2 3.46Å
107E70.6Confident81.3Confident78 Ų7842.2 Ų42.236%0.36424%0.237SC..THydrogen-bonded Turntrans-52.6-32.1-169.2-171.6167.7-15300114.6Y102 A104Y102-E107 VanDerWaalsContact OH-CA 3.23Å; Y102-E107 WeakPolarHBondContact OH-CA 3.48Å; Y102-E107 WeakPolarHBondContact OH-CB 3.35Å; A104-E107 PolarHBondContact O-N 2.82Å
108N72.7Confident81.4Confident159 Ų15942.1 Ų42.185%0.8524%0.236SC*.THydrogen-bonded Turntrans-99.93.7-177.1-64.4-81.3000114.1Q106Q106-N108 PolarHBondContact O-N 3.05Å
109E82.1Confident81.4Confident92 Ų9242.2 Ų42.243%0.4324%0.237SC..  trans-80.6144.4177.4-71-160.9-179.900112.5Q106 T111 V112Q106-E109 PolarHBondContact O-N 3.22Å; E109-T111 HydrophobicContact CB-CG2 4.4Å; E109-T111 WeakPolarHBondContact CB-OG1 3.43Å; E109-T111 PolarHBondContact O-N 3.12Å; E109-T111 WeakPolarHBondContact OE2-CG2 3.31Å; E109-T111 PolarHBondContact OE2-OG1 3.34Å; E109-V112 HydrophobicContact CB-CG2 4.47Å; E109-V112 VanDerWaalsContact O-CG2 3.25Å; E109-V112 WeakPolarHBondContact O-CG2 3.49Å; E109-V112 PolarHBondContact O-N 3.01Å
110P79Confident81.6Confident83 Ų8345.4 Ų45.454%0.53925%0.249SC..THydrogen-bonded Turntrans-63.7-22170.428-34.9000112.2Q61 V112 R117Q61-P110 WeakPolarHBondContact CB-O 3.48Å; P110-V112 PolarHBondContact O-N 3.48Å; P110-R117 PolarHBondContact O-NH2 2.89Å
111T82.2Confident82.8Confident50 Ų5046.3 Ų46.331%0.30725%0.253SS..THydrogen-bonded Turntrans-65.7-11.8179.867.50000114.2Q61 E109 G113Q61-T111 WeakPolarHBondContact CG-O 3.27Å; Q61-T111 PolarHBondContact NE2-O 3.48Å; E109-T111 HydrophobicContact CB-CG2 4.4Å; E109-T111 WeakPolarHBondContact CB-OG1 3.43Å; E109-T111 PolarHBondContact O-N 3.12Å; E109-T111 WeakPolarHBondContact OE2-CG2 3.31Å; E109-T111 PolarHBondContact OE2-OG1 3.34Å; T111-G113 PolarHBondContact O-N 3.34Å
112V87.4Confident84.1Confident5 Ų544.2 Ų44.23%0.0324%0.235CC..  trans-61.7126.7-177.8174.20000111.7Q61 Y102 Q106 E109 P110 P116 R117Q61-V112 WeakPolarHBondContact CB-O 3.49Å; Y102-V112 HydrophobicContact CD2-CG1 4.17Å; Y102-V112 HydrophobicContact CD2-CG2 4.2Å; Y102-V112 HydrophobicContact CE2-CG1 4.08Å; Y102-V112 HydrophobicContact CE2-CG2 3.91Å; Q106-V112 WeakPolarHBondContact O-CG2 3.46Å; E109-V112 HydrophobicContact CB-CG2 4.47Å; E109-V112 VanDerWaalsContact O-CG2 3.25Å; E109-V112 WeakPolarHBondContact O-CG2 3.49Å; E109-V112 PolarHBondContact O-N 3.01Å; P110-V112 PolarHBondContact O-N 3.48Å; V112-P116 HydrophobicContact CG1-CB 3.6Å; V112-P116 HydrophobicContact CG1-CG 3.83Å; V112-R117 HydrophobicContact CG1-CG 4.21Å; V112-R117 PolarHBondContact O-NE 3.49Å
113G91.6Very high84.8Confident3 Ų345.1 Ų45.13%0.03124%0.239CC..  trans-80.3-165.8-177.900000115.3T111 R117T111-G113 PolarHBondContact O-N 3.34Å; G113-R117 WeakPolarHBondContact O-CG 3.36Å
114V95.1Very high85.9Confident2 Ų249.2 Ų49.21%0.01225%0.253CS..Hα-helixtrans-64.5-46.5-170.8167.20000113.9V69 S97 M98 R117 V118 I310V69-V114 HydrophobicContact CG1-CG1 3.98Å; V69-V114 HydrophobicContact CG2-CG1 4.21Å; V69-V114 HydrophobicContact CG2-CG2 3.99Å; S97-V114 WeakPolarHBondContact O-CB 3.3Å; S97-V114 VanDerWaalsContact O-CG2 3.27Å; S97-V114 WeakPolarHBondContact O-CG2 3.18Å; S97-V114 PolarHBondContact O-N 3.04Å; M98-V114 PolarHBondContact O-N 3.41Å; V114-R117 PolarHBondContact O-N 3.05Å; V114-V118 HydrophobicContact CG1-CG2 3.84Å; V114-V118 WeakPolarHBondContact O-CB 3.47Å; V114-V118 VanDerWaalsContact O-CG2 3.29Å; V114-V118 WeakPolarHBondContact O-CG2 3.26Å; V114-V118 PolarHBondContact O-N 3.44Å; V114-I310 HydrophobicContact CG2-CD1 4.39Å
115I94.1Very high87Confident3 Ų348.2 Ų48.22%0.01524%0.24CC..Hα-helixtrans-61.8-48.7-171.2-61.3160.7000112.3M98 R117 V118 I119 L191 F216 L238M98-I115 HydrophobicContact CB-CD1 4.26Å; M98-I115 HydrophobicContact CE-CD1 4.4Å; M98-I115 HydrophobicContact CE-CG1 4.2Å; M98-I115 WeakPolarHBondContact O-CB 3.35Å; M98-I115 WeakPolarHBondContact O-CD1 3.31Å; M98-I115 WeakPolarHBondContact O-CG1 3.46Å; M98-I115 PolarHBondContact O-N 3.16Å; I115-R117 PolarHBondContact O-N 3.15Å; I115-V118 WeakPolarHBondContact O-CB 3.45Å; I115-V118 PolarHBondContact O-N 3.43Å; I115-I119 HydrophobicContact CG2-CD1 4.11Å; I115-I119 WeakPolarHBondContact O-CG1 3.48Å; I115-I119 PolarHBondContact O-N 3.09Å; I115-L191 HydrophobicContact CB-CD2 4.22Å; I115-L191 HydrophobicContact CD1-CD1 4.21Å; I115-L191 HydrophobicContact CG2-CD1 4.08Å; I115-L191 HydrophobicContact CG2-CD2 3.77Å; I115-L191 HydrophobicContact CG2-CG 4.47Å; I115-F216 HydrophobicContact CG2-CD1 4.09Å; I115-F216 HydrophobicContact CG2-CE1 4.28Å; I115-F216 HydrophobicContact CG2-CG 4.5Å; I115-L238 HydrophobicContact CB-CD1 4.21Å; I115-L238 HydrophobicContact CD1-CB 4.32Å; I115-L238 HydrophobicContact CG1-CB 3.87Å; I115-L238 HydrophobicContact CG1-CD1 3.8Å; I115-L238 HydrophobicContact CG1-CG 4.41Å; I115-L238 HydrophobicContact CG2-CD1 3.92Å
116P91.8Very high88.2Confident0 Ų042 Ų420%021%0.211CC..Hα-helixtrans-66.3-39178.2-20.133.4000112.7Y102 V112 V118 I119 Q120 L191Y102-P116 HydrophobicContact CD1-CG 4.13Å; Y102-P116 HydrophobicContact CD2-CB 4.16Å; Y102-P116 HydrophobicContact CD2-CG 3.48Å; Y102-P116 VanDerWaalsContact CD2-CG 3.48Å; Y102-P116 HydrophobicContact CE2-CB 4Å; Y102-P116 HydrophobicContact CE2-CG 3.84Å; Y102-P116 HydrophobicContact CG-CG 3.62Å; V112-P116 HydrophobicContact CG1-CB 3.6Å; V112-P116 HydrophobicContact CG1-CG 3.83Å; P116-V118 VanDerWaalsContact C-N 3.31Å; P116-V118 PolarHBondContact O-N 3.15Å; P116-I119 WeakPolarHBondContact O-CB 2.79Å; P116-I119 PolarHBondContact O-N 3.41Å; P116-I119 VanDerWaalsContact O-N 3.1Å; P116-Q120 WeakPolarHBondContact O-CG 3.39Å; P116-Q120 PolarHBondContact O-N 3.29Å; P116-L191 HydrophobicContact CG-CD2 4.03Å
117R93Very high89.1Confident23 Ų2344.9 Ų44.99%0.08723%0.229CC..Hα-helixtrans-62.8-35.3174.1-69178.4-178.3-96.18112.2E62 F65 P110 V112 G113 V114 I115 L121E62-R117 VanDerWaalsContact CD-NH1 3.34Å; E62-R117 IonicContact OE2-CZ 2.68Å; E62-R117 IonicContact OE2-NH1 3.54Å; E62-R117 PolarHBondContact OE2-NH1 3.46Å; E62-R117 IonicContact OE2-NH2 3.44Å; F65-R117 HydrophobicContact CD1-CB 4.02Å; F65-R117 HydrophobicContact CD2-CB 3.66Å; F65-R117 HydrophobicContact CE1-CB 4.03Å; F65-R117 HydrophobicContact CE2-CB 3.68Å; F65-R117 HydrophobicContact CG-CB 3.83Å; F65-R117 HydrophobicContact CZ-CB 3.86Å; F65-R117 VanDerWaalsContact CZ-O 3.28Å; F65-R117 WeakPolarHBondContact CZ-O 3.34Å; P110-R117 PolarHBondContact O-NH2 2.89Å; V112-R117 HydrophobicContact CG1-CG 4.21Å; V112-R117 PolarHBondContact O-NE 3.49Å; G113-R117 WeakPolarHBondContact O-CG 3.36Å; V114-R117 PolarHBondContact O-N 3.05Å; I115-R117 PolarHBondContact O-N 3.15Å; R117-L121 VanDerWaalsContact O-CB 3.31Å; R117-L121 WeakPolarHBondContact O-CB 3.47Å; R117-L121 PolarHBondContact O-N 3.11Å
118V95.5Very high90.1Very high0 Ų047.3 Ų47.30%024%0.238CC..Hα-helixtrans-61.6-47.5169.8164.30000110.8F65 V69 I73 V114 I115 P116 L121 L122 I218 L236 L238F65-V118 HydrophobicContact CE2-CB 4.5Å; F65-V118 HydrophobicContact CE2-CG2 3.8Å; V69-V118 HydrophobicContact CG1-CG2 4.03Å; I73-V118 HydrophobicContact CD1-CG1 4.09Å; I73-V118 HydrophobicContact CD1-CG2 3.83Å; I73-V118 HydrophobicContact CG1-CG2 4.09Å; V114-V118 HydrophobicContact CG1-CG2 3.84Å; V114-V118 WeakPolarHBondContact O-CB 3.47Å; V114-V118 VanDerWaalsContact O-CG2 3.29Å; V114-V118 WeakPolarHBondContact O-CG2 3.26Å; V114-V118 PolarHBondContact O-N 3.44Å; I115-V118 WeakPolarHBondContact O-CB 3.45Å; I115-V118 PolarHBondContact O-N 3.43Å; P116-V118 VanDerWaalsContact C-N 3.31Å; P116-V118 PolarHBondContact O-N 3.15Å; V118-L121 PolarHBondContact O-N 3.34Å; V118-L122 HydrophobicContact CG1-CD1 3.83Å; V118-L122 HydrophobicContact CG1-CG 4.23Å; V118-L122 WeakPolarHBondContact O-CB 3.37Å; V118-L122 VanDerWaalsContact O-CG 3.3Å; V118-L122 WeakPolarHBondContact O-CG 3.4Å; V118-L122 PolarHBondContact O-N 3.48Å; V118-I218 HydrophobicContact CG1-CD1 4.33Å; V118-L236 HydrophobicContact CG1-CD2 3.53Å; V118-L238 HydrophobicContact CB-CD1 4.31Å; V118-L238 HydrophobicContact CG1-CD1 3.99Å; V118-L238 HydrophobicContact CG2-CD1 4.48Å; V118-L238 HydrophobicContact CG2-CD2 4.39Å
119I93.6Very high90.9Very high1 Ų141.9 Ų41.91%0.00521%0.207CC..Hα-helixtrans-60.9-50179.8-65.3165.7000110.2I115 P116 L121 L122 F123 A184 T187 V188 I218I115-I119 HydrophobicContact CG2-CD1 4.11Å; I115-I119 WeakPolarHBondContact O-CG1 3.48Å; I115-I119 PolarHBondContact O-N 3.09Å; P116-I119 WeakPolarHBondContact O-CB 2.79Å; P116-I119 PolarHBondContact O-N 3.41Å; P116-I119 VanDerWaalsContact O-N 3.1Å; I119-L121 VanDerWaalsContact C-N 3.33Å; I119-L121 PolarHBondContact O-N 3.13Å; I119-L122 PolarHBondContact O-N 3.33Å; I119-F123 HydrophobicContact CG2-CD2 4.03Å; I119-F123 HydrophobicContact CG2-CE2 4.1Å; I119-F123 WeakPolarHBondContact O-CD2 3.43Å; I119-F123 PolarHBondContact O-N 3.13Å; I119-F123 VanDerWaalsContact O-N 3.13Å; I119-A184 HydrophobicContact CG2-CB 4.01Å; I119-T187 HydrophobicContact CB-CG2 4.49Å; I119-T187 HydrophobicContact CD1-CG2 3.75Å; I119-T187 HydrophobicContact CG1-CG2 3.76Å; I119-T187 HydrophobicContact CG2-CG2 3.92Å; I119-V188 HydrophobicContact CD1-CG2 4.04Å; I119-V188 HydrophobicContact CG2-CG2 4.15Å; I119-I218 HydrophobicContact CG1-CD1 4.35Å
120Q91.4Very high91.1Very high75 Ų7541.3 Ų41.335%0.3521%0.213SC..Hα-helixtrans-56.8-44.3176.2-70.4172.6-11.700111.9P116 K124P116-Q120 WeakPolarHBondContact O-CG 3.39Å; P116-Q120 PolarHBondContact O-N 3.29Å; Q120-K124 WeakPolarHBondContact O-CB 3.29Å; Q120-K124 PolarHBondContact O-N 3.27Å; Q120-K124 VanDerWaalsContact O-N 3.08Å
121L93.8Very high91.5Very high25 Ų2542.2 Ų42.213%0.13121%0.214CC..Hα-helixtrans-67.1-37.4177-179.961.6000112.7F65 A70 I73 R117 V118 I119 E125F65-L121 HydrophobicContact CE1-CB 4.47Å; F65-L121 HydrophobicContact CE1-CD2 4.11Å; F65-L121 HydrophobicContact CZ-CB 3.88Å; F65-L121 HydrophobicContact CZ-CD2 3.62Å; F65-L121 HydrophobicContact CZ-CG 4.38Å; A70-L121 HydrophobicContact CB-CD2 3.9Å; I73-L121 HydrophobicContact CB-CD2 3.95Å; I73-L121 HydrophobicContact CG1-CD2 4.28Å; I73-L121 HydrophobicContact CG2-CD2 4.07Å; I73-L121 HydrophobicContact CG2-CG 4.35Å; R117-L121 VanDerWaalsContact O-CB 3.31Å; R117-L121 WeakPolarHBondContact O-CB 3.47Å; R117-L121 PolarHBondContact O-N 3.11Å; V118-L121 PolarHBondContact O-N 3.34Å; I119-L121 VanDerWaalsContact C-N 3.33Å; I119-L121 PolarHBondContact O-N 3.13Å; L121-E125 HydrophobicContact CD1-CG 3.96Å; L121-E125 HydrophobicContact CG-CG 4.42Å; L121-E125 VanDerWaalsContact O-CB 3.26Å; L121-E125 WeakPolarHBondContact O-CB 3.49Å; L121-E125 WeakPolarHBondContact O-CG 3.17Å; L121-E125 PolarHBondContact O-N 3.15Å
122L94.6Very high91.8Very high1 Ų142.1 Ų42.11%0.00521%0.209CC..Hα-helixtrans-61.8-52.9178.1-78.7171.6000111.1I73 F77 V118 I119 E125 I126 I218 I220 L236I73-L122 HydrophobicContact CG2-CD2 3.75Å; I73-L122 HydrophobicContact CG2-CG 4.13Å; F77-L122 HydrophobicContact CE2-CD2 3.77Å; F77-L122 HydrophobicContact CZ-CD2 3.75Å; V118-L122 HydrophobicContact CG1-CD1 3.83Å; V118-L122 HydrophobicContact CG1-CG 4.23Å; V118-L122 WeakPolarHBondContact O-CB 3.37Å; V118-L122 VanDerWaalsContact O-CG 3.3Å; V118-L122 WeakPolarHBondContact O-CG 3.4Å; V118-L122 PolarHBondContact O-N 3.48Å; I119-L122 PolarHBondContact O-N 3.33Å; L122-E125 CarbonylContact O-C 3.58Å; L122-E125 PolarHBondContact O-N 3.47Å; L122-E125 VanDerWaalsContact O-N 3.1Å; L122-I126 WeakPolarHBondContact O-CG1 3.4Å; L122-I126 PolarHBondContact O-N 3.05Å; L122-I218 HydrophobicContact CD1-CD1 3.56Å; L122-I218 HydrophobicContact CD1-CG2 4.35Å; L122-I220 HydrophobicContact CD1-CD1 4.26Å; L122-I220 HydrophobicContact CD2-CD1 3.73Å; L122-L236 HydrophobicContact CD1-CD2 4.25Å
123F93.4Very high92Very high23 Ų2346.5 Ų46.510%0.10123%0.229CC..Hα-helixtrans-64.6-43.2179.1-75.8-82.9000111.8I119 E125 I126 D127 L136 L182 V183 A184 T187I119-F123 HydrophobicContact CG2-CD2 4.03Å; I119-F123 HydrophobicContact CG2-CE2 4.1Å; I119-F123 WeakPolarHBondContact O-CD2 3.43Å; I119-F123 PolarHBondContact O-N 3.13Å; I119-F123 VanDerWaalsContact O-N 3.13Å; F123-E125 PolarHBondContact O-N 3.47Å; F123-I126 HydrophobicContact CD1-CD1 4.28Å; F123-I126 HydrophobicContact CE1-CD1 4.47Å; F123-I126 WeakPolarHBondContact O-CA 3.46Å; F123-I126 WeakPolarHBondContact O-CB 3.36Å; F123-I126 PolarHBondContact O-N 2.88Å; F123-D127 VanDerWaalsContact O-CG 3.27Å; F123-D127 PolarHBondContact O-N 3.12Å; F123-L136 HydrophobicContact CE1-CD2 4.31Å; F123-L136 HydrophobicContact CE2-CD2 4.02Å; F123-L136 HydrophobicContact CZ-CD2 3.73Å; F123-L182 WeakPolarHBondContact CE1-O 3.38Å; F123-V183 WeakPolarHBondContact CZ-O 3.46Å; F123-A184 HydrophobicContact CB-CB 4.41Å; F123-A184 HydrophobicContact CD2-CB 3.72Å; F123-A184 HydrophobicContact CE2-CB 4.27Å; F123-A184 HydrophobicContact CG-CB 4.1Å; F123-T187 WeakPolarHBondContact CE2-OG1 3.34Å
124K93Very high92Very high136 Ų13648.1 Ų48.159%0.59124%0.235SC*.Hα-helixtrans-59.2-20.8172.7-173.1172.3-173.8171.30114.2Q120 K128Q120-K124 WeakPolarHBondContact O-CB 3.29Å; Q120-K124 PolarHBondContact O-N 3.27Å; Q120-K124 VanDerWaalsContact O-N 3.08Å; K124-K128 WeakPolarHBondContact O-CD 3.47Å; K124-K128 WeakPolarHBondContact O-CE 3.19Å; K124-K128 VanDerWaalsContact O-CG 3.31Å; K124-K128 WeakPolarHBondContact O-CG 3.27Å
125E92.5Very high91.9Very high30 Ų3050.7 Ų50.714%0.1425%0.251CS..Hα-helixtrans-97.5-17.7174.4-80.1-66.4131.100113.6F77 L121 L122 F123 K128 K129F77-E125 HydrophobicContact CD2-CB 4.1Å; F77-E125 HydrophobicContact CE1-CB 4.23Å; F77-E125 HydrophobicContact CE2-CB 3.35Å; F77-E125 HydrophobicContact CE2-CG 4.06Å; F77-E125 HydrophobicContact CZ-CB 3.43Å; F77-E125 VanDerWaalsContact CZ-CB 3.43Å; L121-E125 HydrophobicContact CD1-CG 3.96Å; L121-E125 HydrophobicContact CG-CG 4.42Å; L121-E125 VanDerWaalsContact O-CB 3.26Å; L121-E125 WeakPolarHBondContact O-CB 3.49Å; L121-E125 WeakPolarHBondContact O-CG 3.17Å; L121-E125 PolarHBondContact O-N 3.15Å; L122-E125 CarbonylContact O-C 3.58Å; L122-E125 PolarHBondContact O-N 3.47Å; L122-E125 VanDerWaalsContact O-N 3.1Å; F123-E125 PolarHBondContact O-N 3.47Å; E125-K128 IonicContact OE1-NZ 2.71Å; E125-K128 PolarHBondContact OE1-NZ 3.34Å; E125-K129 VanDerWaalsContact O-CG 3.31Å; E125-K129 WeakPolarHBondContact O-CG 3.38Å; E125-K129 PolarHBondContact O-NZ 2.91Å; E125-K129 IonicContact OE2-NZ 3.24Å; E125-K129 PolarHBondContact OE2-NZ 3.01Å
126I92.2Very high91.9Very high28 Ų2850.9 Ų50.914%0.14425%0.252CS..Hα-helixtrans-75.1-48.6169.3-73163.7000109.6F77 L122 F123 K128 K129 F134 L136F77-I126 HydrophobicContact CE1-CG1 3.88Å; F77-I126 HydrophobicContact CZ-CG1 4.17Å; L122-I126 WeakPolarHBondContact O-CG1 3.4Å; L122-I126 PolarHBondContact O-N 3.05Å; F123-I126 HydrophobicContact CD1-CD1 4.28Å; F123-I126 HydrophobicContact CE1-CD1 4.47Å; F123-I126 WeakPolarHBondContact O-CA 3.46Å; F123-I126 WeakPolarHBondContact O-CB 3.36Å; F123-I126 PolarHBondContact O-N 2.88Å; I126-K128 PolarHBondContact O-N 3.31Å; I126-K129 PolarHBondContact O-N 3.21Å; I126-F134 HydrophobicContact CB-CD2 4.32Å; I126-F134 HydrophobicContact CB-CE2 4.48Å; I126-F134 HydrophobicContact CG1-CB 4.48Å; I126-F134 HydrophobicContact CG1-CD1 4.15Å; I126-F134 HydrophobicContact CG1-CD2 4.14Å; I126-F134 HydrophobicContact CG1-CE1 4.39Å; I126-F134 HydrophobicContact CG1-CE2 4.38Å; I126-F134 HydrophobicContact CG1-CG 4.02Å; I126-F134 HydrophobicContact CG2-CB 4.4Å; I126-F134 HydrophobicContact CG2-CD2 3.71Å; I126-F134 HydrophobicContact CG2-CE2 4.22Å; I126-F134 HydrophobicContact CG2-CG 4.19Å; I126-L136 HydrophobicContact CD1-CD1 3.67Å; I126-L136 HydrophobicContact CD1-CD2 3.82Å; I126-L136 HydrophobicContact CD1-CG 4.42Å
127D91.4Very high92.1Very high125 Ų12554.4 Ų54.467%0.66827%0.267SS*.THydrogen-bonded Turntrans-57.8-36-178.4-62.1-30.1000112.6F123 K129F123-D127 VanDerWaalsContact O-CG 3.27Å; F123-D127 PolarHBondContact O-N 3.12Å; D127-K129 VanDerWaalsContact C-N 3.3Å; D127-K129 PolarHBondContact O-N 3.35Å
128K92.3Very high92.3Very high129 Ų12953.3 Ų53.356%0.56126%0.263SS*.THydrogen-bonded Turntrans-70.5-20.4175.1-67.1173.4-167.1173.10114.1K124 E125 I126 S130K124-K128 WeakPolarHBondContact O-CD 3.47Å; K124-K128 WeakPolarHBondContact O-CE 3.19Å; K124-K128 VanDerWaalsContact O-CG 3.31Å; K124-K128 WeakPolarHBondContact O-CG 3.27Å; E125-K128 IonicContact OE1-NZ 2.71Å; E125-K128 PolarHBondContact OE1-NZ 3.34Å; I126-K128 PolarHBondContact O-N 3.31Å; K128-S130 PolarHBondContact O-N 3.39Å
129K88.5Confident92.3Very high45 Ų4553.8 Ų53.820%0.19627%0.266CS..  trans-103.855.1-172.2-69.1-174.9-165.180.20110.8F77 E125 I126 D127 D131 F132 F134F77-K129 HydrophobicContact CD1-CD 4.13Å; E125-K129 VanDerWaalsContact O-CG 3.31Å; E125-K129 WeakPolarHBondContact O-CG 3.38Å; E125-K129 PolarHBondContact O-NZ 2.91Å; E125-K129 IonicContact OE2-NZ 3.24Å; E125-K129 PolarHBondContact OE2-NZ 3.01Å; I126-K129 PolarHBondContact O-N 3.21Å; D127-K129 VanDerWaalsContact C-N 3.3Å; D127-K129 PolarHBondContact O-N 3.35Å; K129-D131 PolarHBondContact O-N 2.85Å; K129-F132 HydrophobicContact CB-CD2 4.31Å; K129-F132 PolarHBondContact O-N 3.48Å; K129-F134 HydrophobicContact CB-CE2 3.87Å; K129-F134 HydrophobicContact CB-CZ 3.91Å; K129-F134 HydrophobicContact CD-CZ 4.06Å
130S86.1Confident92.3Very high80 Ų8053.9 Ų53.956%0.55927%0.267SS*.THydrogen-bonded Turntrans-46.9-29.9178.752.10000115K128 F132 K225K128-S130 PolarHBondContact O-N 3.39Å; S130-F132 PolarHBondContact O-N 3.33Å; S130-K225 WeakPolarHBondContact O-CD 3.21Å; S130-K225 PolarHBondContact O-NZ 2.65Å
131D88.4Confident92.3Very high103 Ų10350.4 Ų50.455%0.55125%0.251SS*.THydrogen-bonded Turntrans-76.8-8.3-176.5-57.5-3.8000113.5K129 K225K129-D131 PolarHBondContact O-N 2.85Å; D131-K225 WeakPolarHBondContact O-CB 3.42Å; D131-K225 PolarHBondContact O-N 2.91Å
132F88.6Confident92.2Very high48 Ų4849.2 Ų49.221%0.21125%0.245CC..EExtended strand (participates in β ladder)trans-116.7155.8-178.8-67.1-92.6000111.7K129 S130 F134 Q222 R223 K224 K225K129-F132 HydrophobicContact CB-CD2 4.31Å; K129-F132 PolarHBondContact O-N 3.48Å; S130-F132 PolarHBondContact O-N 3.33Å; F132-F134 HydrophobicContact CB-CD2 4.23Å; F132-F134 HydrophobicContact CB-CE2 3.52Å; F132-F134 HydrophobicContact CB-CZ 3.75Å; F132-F134 HydrophobicContact CG-CZ 4.46Å; F132-Q222 HydrophobicContact CB-CG 4.16Å; F132-Q222 HydrophobicContact CD1-CG 3.56Å; F132-Q222 VanDerWaalsContact CD1-NE2 3.28Å; F132-Q222 HydrophobicContact CE1-CG 4.23Å; F132-Q222 HydrophobicContact CG-CG 4.05Å; F132-R223 CarbonylContact C-O 3.34Å; F132-R223 VanDerWaalsContact CA-O 3.32Å; F132-R223 WeakPolarHBondContact CA-O 3.41Å; F132-K224 HydrophobicContact CD1-CB 3.99Å; F132-K224 HydrophobicContact CD1-CG 4.2Å; F132-K224 HydrophobicContact CE1-CB 3.76Å; F132-K224 HydrophobicContact CE1-CD 4.4Å; F132-K224 HydrophobicContact CE1-CG 3.82Å; F132-K224 HydrophobicContact CZ-CD 4.41Å; F132-K224 HydrophobicContact CZ-CG 4.12Å; F132-K225 WeakPolarHBondContact O-CE 3.39Å; F132-K225 PolarHBondContact O-NZ 3.17Å
133E90.4Very high91.9Very high96 Ų9649.3 Ų49.345%0.44925%0.245SC..EExtended strand (participates in β ladder)trans-108.8136.5169.5178175.5-12400107R223 K225E133-R223 PolarHBondContact N-O 3.25Å; E133-R223 PolarHBondContact O-N 3.36Å; E133-R223 IonicContact OE2-NH1 2.69Å; E133-K225 HydrophobicContact CB-CG 4.33Å
134F92.2Very high91.6Very high38 Ų3850.8 Ų50.817%0.16725%0.25CS..EExtended strand (participates in β ladder)trans-127.6134.3-173.9-67.6-88.9000110.8F77 I126 K129 F132 L136 I220 E221 Q222F77-F134 AromaticContact CD1-CE1 3.83Å; F77-F134 HydrophobicContact CD1-CE1 3.83Å; F77-F134 HydrophobicContact CD1-CZ 4.2Å; F77-F134 AromaticContact CE1-CE1 3.82Å; F77-F134 HydrophobicContact CE1-CE1 3.82Å; F77-F134 HydrophobicContact CE1-CZ 4.22Å; I126-F134 HydrophobicContact CB-CD2 4.32Å; I126-F134 HydrophobicContact CB-CE2 4.48Å; I126-F134 HydrophobicContact CG1-CB 4.48Å; I126-F134 HydrophobicContact CG1-CD1 4.15Å; I126-F134 HydrophobicContact CG1-CD2 4.14Å; I126-F134 HydrophobicContact CG1-CE1 4.39Å; I126-F134 HydrophobicContact CG1-CE2 4.38Å; I126-F134 HydrophobicContact CG1-CG 4.02Å; I126-F134 HydrophobicContact CG2-CB 4.4Å; I126-F134 HydrophobicContact CG2-CD2 3.71Å; I126-F134 HydrophobicContact CG2-CE2 4.22Å; I126-F134 HydrophobicContact CG2-CG 4.19Å; K129-F134 HydrophobicContact CB-CE2 3.87Å; K129-F134 HydrophobicContact CB-CZ 3.91Å; K129-F134 HydrophobicContact CD-CZ 4.06Å; F132-F134 HydrophobicContact CB-CD2 4.23Å; F132-F134 HydrophobicContact CB-CE2 3.52Å; F132-F134 HydrophobicContact CB-CZ 3.75Å; F132-F134 HydrophobicContact CG-CZ 4.46Å; F134-L136 HydrophobicContact CB-CD1 4.05Å; F134-I220 HydrophobicContact CD1-CG2 4.23Å; F134-E221 WeakPolarHBondContact CA-O 3.47Å; F134-Q222 HydrophobicContact CD1-CB 3.86Å; F134-Q222 HydrophobicContact CD1-CG 4Å; F134-Q222 HydrophobicContact CE1-CB 3.69Å; F134-Q222 VanDerWaalsContact CE1-CD 3.47Å; F134-Q222 HydrophobicContact CE1-CG 3.42Å; F134-Q222 VanDerWaalsContact CE1-CG 3.42Å; F134-Q222 HydrophobicContact CZ-CG 3.88Å
135T92.8Very high90.9Very high56 Ų5647.5 Ų47.534%0.34424%0.239SC..EExtended strand (participates in β ladder)trans-118.7114.7170.3-52.20000108.2T180 E221T135-T180 HydrophobicContact CG2-CG2 4.43Å; T135-E221 PolarHBondContact N-O 3.21Å; T135-E221 PolarHBondContact O-N 2.8Å
136L95.4Very high90.6Very high7 Ų747.6 Ų47.64%0.03724%0.24CC..EExtended strand (participates in β ladder)trans-103.4134.3177.9-88.564.8000110.5F123 I126 F134 T180 V181 I218 S219 I220F123-L136 HydrophobicContact CE1-CD2 4.31Å; F123-L136 HydrophobicContact CE2-CD2 4.02Å; F123-L136 HydrophobicContact CZ-CD2 3.73Å; I126-L136 HydrophobicContact CD1-CD1 3.67Å; I126-L136 HydrophobicContact CD1-CD2 3.82Å; I126-L136 HydrophobicContact CD1-CG 4.42Å; F134-L136 HydrophobicContact CB-CD1 4.05Å; L136-T180 WeakPolarHBondContact O-CA 3.4Å; L136-T180 WeakPolarHBondContact O-CG2 3.44Å; L136-V181 HydrophobicContact CB-CG2 3.68Å; L136-V181 PolarHBondContact O-N 2.99Å; L136-I218 HydrophobicContact CD2-CG2 4.44Å; L136-I218 HydrophobicContact CG-CG2 4.46Å; L136-S219 WeakPolarHBondContact CA-O 3.38Å; L136-I220 HydrophobicContact CD1-CG1 4.05Å; L136-I220 HydrophobicContact CD1-CG2 4.24Å; L136-I220 HydrophobicContact CD2-CG1 4.47Å; L136-I220 HydrophobicContact CG-CG1 3.87Å
137K95.6Very high90.3Very high73 Ų7351 Ų5132%0.31726%0.255SS..EExtended strand (participates in β ladder)trans-130.2140.4170.8-59.5-171.8-176.2-172.90110.8E178 K179 I218 S219K137-E178 HydrophobicContact CB-CB 4.44Å; K137-E178 HydrophobicContact CD-CB 4.09Å; K137-E178 WeakPolarHBondContact CD-OE2 3.34Å; K137-E178 IonicContact NZ-OE2 2.77Å; K137-E178 PolarHBondContact NZ-OE2 2.9Å; K137-K179 CarbonylContact C-O 3.08Å; K137-K179 VanDerWaalsContact CA-O 3.23Å; K137-K179 WeakPolarHBondContact CA-O 3.34Å; K137-I218 CarbonylContact O-C 3.56Å; K137-I218 WeakPolarHBondContact O-CA 3.42Å; K137-S219 PolarHBondContact N-O 2.89Å; K137-S219 PolarHBondContact O-N 3.24Å
138V96.4Very high90.2Very high1 Ų145.5 Ų45.51%0.00623%0.225CC..EExtended strand (participates in β ladder)trans-116142.4174.5-62.50000112.1L152 E178 K179 V181 T187 C190 F216 T217 I218V138-L152 HydrophobicContact CG2-CD1 4.35Å; V138-E178 CarbonylContact O-C 3.53Å; V138-E178 WeakPolarHBondContact O-CA 3.49Å; V138-K179 HydrophobicContact CG2-CB 4.12Å; V138-K179 PolarHBondContact N-O 2.72Å; V138-K179 PolarHBondContact O-N 3.45Å; V138-V181 HydrophobicContact CG1-CG2 4.26Å; V138-V181 HydrophobicContact CG2-CG1 3.87Å; V138-T187 HydrophobicContact CG1-CG2 3.83Å; V138-C190 HydrophobicContact CG2-CB 3.74Å; V138-F216 HydrophobicContact CB-CZ 4.17Å; V138-F216 HydrophobicContact CG1-CE1 4.13Å; V138-F216 HydrophobicContact CG1-CZ 3.97Å; V138-T217 VanDerWaalsContact CA-O 3.29Å; V138-T217 WeakPolarHBondContact CA-O 3.37Å; V138-I218 HydrophobicContact CG1-CB 4.48Å; V138-I218 HydrophobicContact CG1-CG1 4.09Å; V138-I218 HydrophobicContact CG1-CG2 4.26Å
139S94.9Very high90Very high9 Ų941 Ų416%0.06321%0.207CC..EExtended strand (participates in β ladder)trans-134144164.959.80000109.1T177 T217S139-T177 WeakPolarHBondContact CB-O 3.48Å; S139-T217 PolarHBondContact N-O 2.79Å; S139-T217 PolarHBondContact O-N 2.97Å
140Y94.1Very high90.2Very high3 Ų340 Ų401%0.01220%0.204CC..EExtended strand (participates in β ladder)trans-135.9125.5-178.2-164.2-172.6000108.6L151 L191 N195 A214 F216Y140-L151 HydrophobicContact CD1-CB 4.3Å; Y140-L151 HydrophobicContact CD1-CD1 4.08Å; Y140-L151 HydrophobicContact CD2-CD1 3.77Å; Y140-L151 HydrophobicContact CE1-CD1 4.14Å; Y140-L151 HydrophobicContact CE2-CD1 3.88Å; Y140-L151 HydrophobicContact CG-CB 4.22Å; Y140-L151 HydrophobicContact CG-CD1 3.88Å; Y140-L151 WeakPolarHBondContact O-CB 3.36Å; Y140-L151 PolarHBondContact O-N 2.91Å; Y140-L191 HydrophobicContact CE1-CD1 3.87Å; Y140-N195 PolarHBondContact OH-OD1 3.38Å; Y140-A214 HydrophobicContact CE2-CB 3.9Å; Y140-F216 AromaticContact CD1-CD2 3.64Å; Y140-F216 HydrophobicContact CD1-CD2 3.64Å; Y140-F216 HydrophobicContact CD1-CE2 4.18Å; Y140-F216 HydrophobicContact CD2-CB 3.83Å; Y140-F216 AromaticContact CD2-CD2 3.88Å; Y140-F216 HydrophobicContact CD2-CD2 3.88Å; Y140-F216 HydrophobicContact CD2-CG 4.36Å; Y140-F216 HydrophobicContact CE1-CD2 4.08Å; Y140-F216 HydrophobicContact CE2-CB 3.9Å; Y140-F216 HydrophobicContact CE2-CD2 4.25Å; Y140-F216 HydrophobicContact CG-CB 4.39Å; Y140-F216 AromaticContact CG-CD2 3.56Å; Y140-F216 HydrophobicContact CG-CD2 3.56Å; Y140-F216 HydrophobicContact CG-CE2 4.35Å; Y140-F216 HydrophobicContact CG-CG 4.44Å
141L92.6Very high90.3Very high2 Ų236.4 Ų36.41%0.0118%0.178CC..EExtended strand (participates in β ladder)trans-132.1155.5-179.966.187.1000111I143 I148 L149 I173 L176 A214 I215 L296L141-I143 HydrophobicContact CD1-CG1 3.87Å; L141-I148 HydrophobicContact CB-CG2 4.2Å; L141-I148 HydrophobicContact CD1-CG2 4.29Å; L141-I148 HydrophobicContact CD2-CG2 4.27Å; L141-I148 HydrophobicContact CG-CG2 4.5Å; L141-L149 CarbonylContact C-O 3.52Å; L141-L149 WeakPolarHBondContact CA-O 3.35Å; L141-L149 WeakPolarHBondContact CB-O 3.32Å; L141-I173 HydrophobicContact CD2-CD1 3.59Å; L141-L176 HydrophobicContact CB-CD1 4.08Å; L141-L176 HydrophobicContact CD2-CD1 4.42Å; L141-L176 HydrophobicContact CD2-CD2 3.89Å; L141-A214 WeakPolarHBondContact O-CA 3.41Å; L141-I215 HydrophobicContact CD1-CB 3.99Å; L141-I215 HydrophobicContact CD1-CD1 4.22Å; L141-I215 HydrophobicContact CD1-CG1 4.17Å; L141-I215 HydrophobicContact CG-CB 4.15Å; L141-I215 PolarHBondContact N-O 2.97Å; L141-I215 PolarHBondContact O-N 3.36Å; L141-L296 HydrophobicContact CD1-CD1 4.22Å; L141-L296 HydrophobicContact CD2-CD1 4.18Å
142E90.6Very high90.4Very high1 Ų131.5 Ų31.51%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-113.9146.615971178.1165.200111.6L149 L151 R198 T199 S212 H213E142-L149 HydrophobicContact CG-CB 3.99Å; E142-L149 HydrophobicContact CG-CD1 4.2Å; E142-L149 HydrophobicContact CG-CG 4.49Å; E142-L149 PolarHBondContact N-O 3.45Å; E142-L149 PolarHBondContact O-N 2.82Å; E142-L151 HydrophobicContact CB-CD1 4.18Å; E142-L151 HydrophobicContact CB-CD2 4.33Å; E142-L151 HydrophobicContact CB-CG 4.45Å; E142-L151 HydrophobicContact CG-CD2 3.93Å; E142-L151 HydrophobicContact CG-CG 4.47Å; E142-R198 WeakPolarHBondContact OE2-CG 3.18Å; E142-T199 VanDerWaalsContact OE1-CB 3.29Å; E142-T199 WeakPolarHBondContact OE1-CB 3.43Å; E142-T199 PolarHBondContact OE1-N 3.41Å; E142-T199 PolarHBondContact OE1-OG1 3.4Å; E142-T199 PolarHBondContact OE2-N 2.97Å; E142-S212 WeakPolarHBondContact OE2-CB 3.12Å; E142-S212 PolarHBondContact OE2-OG 2.71Å; E142-H213 CarbonylContact C-O 3.24Å; E142-H213 WeakPolarHBondContact CA-O 3.46Å
143I89.4Confident90.2Very high3 Ų331.4 Ų31.42%0.01516%0.157CC..EExtended strand (participates in β ladder)trans-102.2113.2165-42.9178.2000107.2L141 E147 S212 H213 I215 K292 L293 L296L141-I143 HydrophobicContact CD1-CG1 3.87Å; I143-E147 VanDerWaalsContact CA-O 3.28Å; I143-E147 WeakPolarHBondContact CA-O 3.34Å; I143-E147 WeakPolarHBondContact CG2-O 3.26Å; I143-S212 WeakPolarHBondContact O-CA 3.23Å; I143-S212 WeakPolarHBondContact O-CB 3.41Å; I143-H213 HydrophobicContact CB-CB 4.18Å; I143-H213 HydrophobicContact CD1-CB 4.49Å; I143-H213 HydrophobicContact CG1-CB 4.42Å; I143-H213 PolarHBondContact N-O 2.72Å; I143-H213 PolarHBondContact O-N 3.11Å; I143-I215 HydrophobicContact CD1-CD1 4.33Å; I143-K292 HydrophobicContact CG2-CB 4.47Å; I143-L293 HydrophobicContact CD1-CB 3.93Å; I143-L293 HydrophobicContact CD1-CD1 3.93Å; I143-L296 HydrophobicContact CD1-CD1 4.1Å
144Y85.2Confident89.1Confident54 Ų5432.8 Ų32.821%0.21217%0.174CC..EExtended strand (participates in β ladder)trans-131.8130.1179.6175.7-102.9000108.7E146 E147 E259Y144-E146 PolarHBondContact O-N 2.92Å; Y144-E147 PolarHBondContact N-O 3.28Å; Y144-E147 WeakPolarHBondContact O-CA 3.09Å; Y144-E147 WeakPolarHBondContact O-CB 3.3Å; Y144-E147 PolarHBondContact O-N 3.49Å; Y144-E259 HydrophobicContact CE2-CG 3.94Å; Y144-E259 VanDerWaalsContact OH-CD 3.3Å; Y144-E259 PolarHBondContact OH-OE1 3.41Å
145N80.1Confident87.7Confident66 Ų6634 Ų3435%0.35319%0.188SC..THydrogen-bonded Turntrans53.534.7-179.5-164.358.2000114.4E147 N262N145-E147 PolarHBondContact O-N 2.9Å; N145-N262 PolarHBondContact OD1-ND2 3.31Å
146E85.9Confident85.8Confident33 Ų3343.2 Ų43.215%0.15422%0.216CC..THydrogen-bonded Turntrans56.519.4-169.7-73.8-68.3123.200115Y144 S291 K292Y144-E146 PolarHBondContact O-N 2.92Å; E146-S291 WeakPolarHBondContact OE2-CA 3.28Å; E146-K292 WeakPolarHBondContact O-CD 3.5Å; E146-K292 WeakPolarHBondContact O-CE 3.28Å; E146-K292 PolarHBondContact O-NZ 3.4Å; E146-K292 PolarHBondContact OE2-N 3.5Å
147E86.1Confident83.8Confident98 Ų9850.6 Ų50.646%0.45825%0.25SS..EExtended strand (participates in β ladder)trans-96.7155.2161.3-60.1-162.114900110.8I143 Y144 N145I143-E147 VanDerWaalsContact CA-O 3.28Å; I143-E147 WeakPolarHBondContact CA-O 3.34Å; I143-E147 WeakPolarHBondContact CG2-O 3.26Å; Y144-E147 PolarHBondContact N-O 3.28Å; Y144-E147 WeakPolarHBondContact O-CA 3.09Å; Y144-E147 WeakPolarHBondContact O-CB 3.3Å; Y144-E147 PolarHBondContact O-N 3.49Å; N145-E147 PolarHBondContact O-N 2.9Å
148I89.3Confident82.1Confident11 Ų1154.8 Ų54.86%0.05627%0.269CS..EExtended strand (participates in β ladder)trans-108.2127.7171.7-61.3168.6000107.1L141 I161 I163 K292 L296L141-I148 HydrophobicContact CB-CG2 4.2Å; L141-I148 HydrophobicContact CD1-CG2 4.29Å; L141-I148 HydrophobicContact CD2-CG2 4.27Å; L141-I148 HydrophobicContact CG-CG2 4.5Å; I148-I161 HydrophobicContact CB-CB 4.25Å; I148-I161 HydrophobicContact CB-CG2 4.16Å; I148-I161 HydrophobicContact CG2-CB 4.18Å; I148-I161 HydrophobicContact CG2-CD1 4.17Å; I148-I161 HydrophobicContact CG2-CG2 3.72Å; I148-I163 HydrophobicContact CD1-CD1 3.91Å; I148-I163 HydrophobicContact CD1-CG1 3.66Å; I148-K292 HydrophobicContact CD1-CB 4.47Å; I148-K292 HydrophobicContact CD1-CD 3.98Å; I148-K292 HydrophobicContact CG1-CD 3.93Å; I148-L296 HydrophobicContact CD1-CD1 4.4Å
149L88.2Confident80.5Confident33 Ų3358.2 Ų58.217%0.17330%0.297CS..EExtended strand (participates in β ladder)trans-119.6133.9178.5-55176000109.1L141 E142L141-L149 CarbonylContact C-O 3.52Å; L141-L149 WeakPolarHBondContact CA-O 3.35Å; L141-L149 WeakPolarHBondContact CB-O 3.32Å; E142-L149 HydrophobicContact CG-CB 3.99Å; E142-L149 HydrophobicContact CG-CD1 4.2Å; E142-L149 HydrophobicContact CG-CG 4.49Å; E142-L149 PolarHBondContact N-O 3.45Å; E142-L149 PolarHBondContact O-N 2.82Å
150D91.1Very high79.5Confident26 Ų2665.5 Ų65.514%0.13933%0.33CS..EExtended strand (participates in β ladder)trans-84.4121.6174.6-178.1-20.8000109.4L152 C153 I161 L176 T177D150-L152 WeakPolarHBondContact OD1-CA 3.42Å; D150-L152 PolarHBondContact OD1-N 2.65Å; D150-C153 HydrophobicContact CB-CB 4.02Å; D150-C153 PolarHBondContact OD1-N 3.28Å; D150-I161 HydrophobicContact CB-CD1 3.61Å; D150-L176 HydrophobicContact CB-CD1 3.99Å; D150-T177 WeakPolarHBondContact OD2-CA 3.5Å; D150-T177 WeakPolarHBondContact OD2-CB 3.48Å; D150-T177 PolarHBondContact OD2-N 3.38Å; D150-T177 PolarHBondContact OD2-OG1 2.81Å
151L89.7Confident79.1Confident3 Ų366 Ų662%0.01633%0.333CS..SBendtrans-87.4-11.4-176.8-62.9175.9000113.1Y140 E142 S197 R198Y140-L151 HydrophobicContact CD1-CB 4.3Å; Y140-L151 HydrophobicContact CD1-CD1 4.08Å; Y140-L151 HydrophobicContact CD2-CD1 3.77Å; Y140-L151 HydrophobicContact CE1-CD1 4.14Å; Y140-L151 HydrophobicContact CE2-CD1 3.88Å; Y140-L151 HydrophobicContact CG-CB 4.22Å; Y140-L151 HydrophobicContact CG-CD1 3.88Å; Y140-L151 WeakPolarHBondContact O-CB 3.36Å; Y140-L151 PolarHBondContact O-N 2.91Å; E142-L151 HydrophobicContact CB-CD1 4.18Å; E142-L151 HydrophobicContact CB-CD2 4.33Å; E142-L151 HydrophobicContact CB-CG 4.45Å; E142-L151 HydrophobicContact CG-CD2 3.93Å; E142-L151 HydrophobicContact CG-CG 4.47Å; L151-S197 WeakPolarHBondContact O-CB 3.49Å; L151-S197 PolarHBondContact O-OG 2.81Å; L151-S197 VanDerWaalsContact O-OG 3.06Å; L151-R198 HydrophobicContact CD2-CB 4.39Å
152L89.8Confident78.8Confident0 Ų069.3 Ų69.30%035%0.35CS..SBendtrans-99.7-16.1179.3-55.2-173.3000113.2V138 D150 K179 C190 Q193V138-L152 HydrophobicContact CG2-CD1 4.35Å; D150-L152 WeakPolarHBondContact OD1-CA 3.42Å; D150-L152 PolarHBondContact OD1-N 2.65Å; L152-K179 HydrophobicContact CB-CD 4.43Å; L152-K179 HydrophobicContact CD1-CD 4.28Å; L152-K179 HydrophobicContact CD1-CG 4.28Å; L152-C190 HydrophobicContact CD2-CB 4.16Å; L152-C190 WeakPolarHBondContact CD2-O 3.49Å; L152-Q193 PolarHBondContact O-NE2 3.02Å
153C83.9Confident78.7Confident46 Ų4670.1 Ų70.131%0.31135%0.354SS..  trans-64.9127.8179-175.30000111.9D150D150-C153 HydrophobicContact CB-CB 4.02Å; D150-C153 PolarHBondContact OD1-N 3.28Å
154P68.1Low78.5Confident125 Ų12577.8 Ų77.881%0.81238%0.383SS*.  trans-85.1-8.2179.734.1-36.1000114.4
155S62.3Low78.3Confident64 Ų6478.5 Ų78.545%0.44839%0.389SS..  trans-93.8143.1-179-171.80000112.1E157S155-E157 VanDerWaalsContact C-N 3.27Å; S155-E157 PolarHBondContact OG-N 3.2Å; S155-E157 VanDerWaalsContact OG-N 3.12Å
156R53Low78Confident250 Ų25077.7 Ų77.794%0.94338%0.384SS*.SBendtrans-78.8-10168.7-70.7-174.4173.8-172.4-1.9113.1K158R156-K158 PolarHBondContact O-N 3.3Å; R156-K158 VanDerWaalsContact O-N 3.17Å
157E53.5Low77.1Confident162 Ų16282.6 Ų82.676%0.75742%0.419SS*.SBendtrans-75.6101.4173.5-64.2-176.7157.300109.4S155 A159S155-E157 VanDerWaalsContact C-N 3.27Å; S155-E157 PolarHBondContact OG-N 3.2Å; S155-E157 VanDerWaalsContact OG-N 3.12Å; E157-A159 PolarHBondContact O-N 3.34Å
158K59.7Low75.9Confident161 Ų16187 Ų8770%0.744%0.436SS*.  trans-67.191.1-178.4-67.9-173.9174.3-170.20111.5R156 Q160R156-K158 PolarHBondContact O-N 3.3Å; R156-K158 VanDerWaalsContact O-N 3.17Å; K158-Q160 PolarHBondContact O-N 3.26Å
159A63.5Low74.6Confident72 Ų7290.4 Ų90.460%0.59545%0.452SS*.  trans-57.9133.6164.200000109.9E157 I161E157-A159 PolarHBondContact O-N 3.34Å; A159-I161 PolarHBondContact O-N 3.43Å
160Q72.8Confident73.9Confident162 Ų16290.1 Ų90.176%0.75746%0.457SS*.  trans-76.9100.6-173.2-164-165.540.100111.5K158 N162K158-Q160 PolarHBondContact O-N 3.26Å; Q160-N162 PolarHBondContact O-N 3.08Å; Q160-N162 PolarHBondContact O-ND2 3.4Å; Q160-N162 PolarHBondContact OE1-ND2 2.99Å; Q160-N162 VanDerWaalsContact OE1-ND2 3.13Å
161I86.9Confident73.5Confident15 Ų1589.6 Ų89.68%0.07745%0.454CS..  trans-73.9125-178.2-53.8175.5000110.4I148 D150 A159 I173 V174I148-I161 HydrophobicContact CB-CB 4.25Å; I148-I161 HydrophobicContact CB-CG2 4.16Å; I148-I161 HydrophobicContact CG2-CB 4.18Å; I148-I161 HydrophobicContact CG2-CD1 4.17Å; I148-I161 HydrophobicContact CG2-CG2 3.72Å; D150-I161 HydrophobicContact CB-CD1 3.61Å; A159-I161 PolarHBondContact O-N 3.43Å; I161-I173 HydrophobicContact CG2-CG2 3.34Å; I161-V174 WeakPolarHBondContact CA-O 3.45Å
162N85.8Confident73.1Confident70 Ų7092.7 Ų92.737%0.37447%0.467SS..EExtended strand (participates in β ladder)trans-131.4131.3-170.2-83.1-72.3000112.7Q160 V174Q160-N162 PolarHBondContact O-N 3.08Å; Q160-N162 PolarHBondContact O-ND2 3.4Å; Q160-N162 PolarHBondContact OE1-ND2 2.99Å; Q160-N162 VanDerWaalsContact OE1-ND2 3.13Å; N162-V174 PolarHBondContact N-O 2.76Å; N162-V174 PolarHBondContact O-N 3.22Å
163I88.9Confident73.1Confident18 Ų1895 Ų959%0.09248%0.479CS..EExtended strand (participates in β ladder)trans-82.2115.8175.9-51.4179.5000110.1I148 I171 K292 R295 L296I148-I163 HydrophobicContact CD1-CD1 3.91Å; I148-I163 HydrophobicContact CD1-CG1 3.66Å; I163-I171 HydrophobicContact CG2-CG2 3.6Å; I163-K292 HydrophobicContact CD1-CB 3.97Å; I163-K292 HydrophobicContact CD1-CG 4.13Å; I163-R295 HydrophobicContact CD1-CB 3.93Å; I163-R295 HydrophobicContact CG2-CB 4.49Å; I163-R295 PolarHBondContact O-NH2 3.41Å; I163-R295 VanDerWaalsContact O-NH2 3.14Å; I163-L296 HydrophobicContact CD1-CD2 3.75Å; I163-L296 HydrophobicContact CD1-CG 3.94Å; I163-L296 HydrophobicContact CG1-CD2 4.03Å; I163-L296 HydrophobicContact CG2-CD2 4.36Å
164R85.4Confident73.2Confident164 Ų16495.8 Ų95.862%0.61948%0.483SS*.EExtended strand (participates in β ladder)trans-107.9151.6169.3-61.2-167.1-175.3179.5-1110.7K172 V174R164-K172 PolarHBondContact N-O 3.36Å; R164-K172 PolarHBondContact O-N 3.01Å; R164-V174 HydrophobicContact CB-CG2 4.38Å; R164-V174 HydrophobicContact CG-CG2 3.9Å
165E80.3Confident74Confident70 Ų7092.1 Ų92.133%0.32747%0.468SS..EExtended strand (participates in β ladder)trans-111.8120.2177.7-73.2160.1-141.700108.3I171 R289 R295E165-I171 HydrophobicContact CG-CG1 4.28Å; E165-R289 IonicContact OE1-NE 2.63Å; E165-R289 IonicContact OE1-NH2 3.39Å; E165-R289 IonicContact OE2-CZ 3.72Å; E165-R289 IonicContact OE2-NE 3.64Å; E165-R289 PolarHBondContact OE2-NE 3.01Å; E165-R289 IonicContact OE2-NH2 2.71Å; E165-R289 PolarHBondContact OE2-NH2 3.4Å; E165-R295 IonicContact OE1-CZ 2.62Å; E165-R295 VanDerWaalsContact OE1-CZ 3.28Å; E165-R295 IonicContact OE1-NE 3.58Å; E165-R295 PolarHBondContact OE1-NE 2.96Å; E165-R295 VanDerWaalsContact OE1-NE 3.08Å; E165-R295 IonicContact OE1-NH2 2.68Å; E165-R295 PolarHBondContact OE1-NH2 2.94Å
166D74.1Confident75.4Confident49 Ų4990.6 Ų90.626%0.26245%0.454SS..EExtended strand (participates in β ladder)trans-101.5123.7-179.8-175.4-49.6000109.3K168 E169 G170 K172D166-K168 PolarHBondContact O-N 2.96Å; D166-K168 VanDerWaalsContact O-N 3.08Å; D166-K168 PolarHBondContact OD1-N 3.06Å; D166-E169 HydrophobicContact CB-CB 4.23Å; D166-E169 PolarHBondContact O-N 2.94Å; D166-E169 PolarHBondContact OD1-N 3.41Å; D166-G170 WeakPolarHBondContact CB-O 3.5Å; D166-G170 PolarHBondContact N-O 3.49Å; D166-G170 WeakPolarHBondContact O-CA 3.44Å; D166-G170 PolarHBondContact O-N 3.3Å; D166-K172 HydrophobicContact CB-CD 4.06Å; D166-K172 WeakPolarHBondContact OD2-CE 3.32Å; D166-K172 IonicContact OD2-NZ 2.68Å; D166-K172 PolarHBondContact OD2-NZ 3.41Å
167P66.5Low77.2Confident136 Ų13680.9 Ų80.988%0.88342%0.422SS*.THydrogen-bonded Turntrans-61.8-15.6-178.1-25.635.2000115.9
168K61.3Low79Confident189 Ų18977 Ų7782%0.82240%0.404SS*.THydrogen-bonded Turntrans-108-39.8176.3-69.2-174.1175.9-174.50112.9D166D166-K168 PolarHBondContact O-N 2.96Å; D166-K168 VanDerWaalsContact O-N 3.08Å; D166-K168 PolarHBondContact OD1-N 3.06Å
169E61.6Low80.7Confident84 Ų8472.7 Ų72.739%0.39339%0.386SS..THydrogen-bonded Turntrans-1085.7-171.6-77-178.3-13800115.1D166 K172D166-E169 HydrophobicContact CB-CB 4.23Å; D166-E169 PolarHBondContact O-N 2.94Å; D166-E169 PolarHBondContact OD1-N 3.41Å; E169-K172 VanDerWaalsContact CB-CE 3.47Å; E169-K172 IonicContact OE1-NZ 3.81Å; E169-K172 WeakPolarHBondContact OE2-CE 3.39Å; E169-K172 IonicContact OE2-NZ 3.57Å; E169-K172 PolarHBondContact OE2-NZ 3.19Å
170G73.3Confident82.2Confident26 Ų2673.4 Ų73.427%0.26838%0.383SS..EExtended strand (participates in β ladder)trans73.3-143175.600000113.1D166D166-G170 WeakPolarHBondContact CB-O 3.5Å; D166-G170 PolarHBondContact N-O 3.49Å; D166-G170 WeakPolarHBondContact O-CA 3.44Å; D166-G170 PolarHBondContact O-N 3.3Å
171I82.6Confident83.2Confident15 Ų1566 Ų668%0.07735%0.348CS..EExtended strand (participates in β ladder)trans-77.8127.1-176-66.9108.7000111.8I163 E165 R295 L296 Q298I163-I171 HydrophobicContact CG2-CG2 3.6Å; E165-I171 HydrophobicContact CG-CG1 4.28Å; I171-R295 WeakPolarHBondContact CD1-O 3.3Å; I171-L296 HydrophobicContact CG2-CD2 3.93Å; I171-Q298 HydrophobicContact CD1-CB 3.85Å; I171-Q298 HydrophobicContact CD1-CG 4.2Å
172K82.6Confident83.4Confident68 Ų6872.1 Ų72.130%0.29638%0.381SS..EExtended strand (participates in β ladder)trans-120.1130.4175.4-72.1-179.5175.1171.90110.6R164 D166 E169R164-K172 PolarHBondContact N-O 3.36Å; R164-K172 PolarHBondContact O-N 3.01Å; D166-K172 HydrophobicContact CB-CD 4.06Å; D166-K172 WeakPolarHBondContact OD2-CE 3.32Å; D166-K172 IonicContact OD2-NZ 2.68Å; D166-K172 PolarHBondContact OD2-NZ 3.41Å; E169-K172 VanDerWaalsContact CB-CE 3.47Å; E169-K172 IonicContact OE1-NZ 3.81Å; E169-K172 WeakPolarHBondContact OE2-CE 3.39Å; E169-K172 IonicContact OE2-NZ 3.57Å; E169-K172 PolarHBondContact OE2-NZ 3.19Å
173I88.5Confident83.7Confident48 Ų4872.3 Ų72.325%0.24638%0.384CS..EExtended strand (participates in β ladder)trans-97.3107176.4-48.7179.2000107.8L141 I161 L176 L296L141-I173 HydrophobicContact CD2-CD1 3.59Å; I161-I173 HydrophobicContact CG2-CG2 3.34Å; I173-L176 HydrophobicContact CB-CB 4.21Å; I173-L176 HydrophobicContact CB-CD2 4.16Å; I173-L176 HydrophobicContact CD1-CD2 3.9Å; I173-L176 HydrophobicContact CG2-CB 3.79Å; I173-L176 HydrophobicContact CG2-CD2 4.13Å; I173-L296 HydrophobicContact CD1-CD1 4.05Å; I173-L296 HydrophobicContact CD1-CD2 3.64Å; I173-L296 HydrophobicContact CG1-CD2 3.78Å
174V86.7Confident83.7Confident64 Ų6472.7 Ų72.739%0.38839%0.39SS..EExtended strand (participates in β ladder)trans-86.3129.3-179.6-178.60000109.3I161 N162 R164I161-V174 WeakPolarHBondContact CA-O 3.45Å; N162-V174 PolarHBondContact N-O 2.76Å; N162-V174 PolarHBondContact O-N 3.22Å; R164-V174 HydrophobicContact CB-CG2 4.38Å; R164-V174 HydrophobicContact CG-CG2 3.9Å
175G85.4Confident83.9Confident48 Ų4870.5 Ų70.550%0.49539%0.39SS..THydrogen-bonded Turntrans93.13.5-17900000115.3
176L90.4Very high84.4Confident31 Ų3170.1 Ų70.116%0.16239%0.39CS..  trans-86.9136.5174.7-178.867000111.3L141 D150 I173L141-L176 HydrophobicContact CB-CD1 4.08Å; L141-L176 HydrophobicContact CD2-CD1 4.42Å; L141-L176 HydrophobicContact CD2-CD2 3.89Å; D150-L176 HydrophobicContact CB-CD1 3.99Å; I173-L176 HydrophobicContact CB-CB 4.21Å; I173-L176 HydrophobicContact CB-CD2 4.16Å; I173-L176 HydrophobicContact CD1-CD2 3.9Å; I173-L176 HydrophobicContact CG2-CB 3.79Å; I173-L176 HydrophobicContact CG2-CD2 4.13Å
177T91Very high85.3Confident46 Ų4667.8 Ų67.828%0.28238%0.378SS..  trans-75.4126177.9-51.80000111.5S139 D150 K179S139-T177 WeakPolarHBondContact CB-O 3.48Å; D150-T177 WeakPolarHBondContact OD2-CA 3.5Å; D150-T177 WeakPolarHBondContact OD2-CB 3.48Å; D150-T177 PolarHBondContact OD2-N 3.38Å; D150-T177 PolarHBondContact OD2-OG1 2.81Å; T177-K179 HydrophobicContact CG2-CG 4.32Å
178E92.5Very high86.4Confident80 Ų8061.5 Ų61.537%0.37434%0.337SS..  trans-102.5113.4163.8-67.9-172.5159.100109.6K137 V138K137-E178 HydrophobicContact CB-CB 4.44Å; K137-E178 HydrophobicContact CD-CB 4.09Å; K137-E178 WeakPolarHBondContact CD-OE2 3.34Å; K137-E178 IonicContact NZ-OE2 2.77Å; K137-E178 PolarHBondContact NZ-OE2 2.9Å; V138-E178 CarbonylContact O-C 3.53Å; V138-E178 WeakPolarHBondContact O-CA 3.49Å
179K94Very high87.8Confident71 Ų7155.6 Ų55.631%0.30932%0.319SS..EExtended strand (participates in β ladder)trans-87131.8169.1-71.3-172.3171-172.30109.8K137 V138 L152 T177K137-K179 CarbonylContact C-O 3.08Å; K137-K179 VanDerWaalsContact CA-O 3.23Å; K137-K179 WeakPolarHBondContact CA-O 3.34Å; V138-K179 HydrophobicContact CG2-CB 4.12Å; V138-K179 PolarHBondContact N-O 2.72Å; V138-K179 PolarHBondContact O-N 3.45Å; L152-K179 HydrophobicContact CB-CD 4.43Å; L152-K179 HydrophobicContact CD1-CD 4.28Å; L152-K179 HydrophobicContact CD1-CG 4.28Å; T177-K179 HydrophobicContact CG2-CG 4.32Å
180T95.3Very high89.2Confident87 Ų8752 Ų5253%0.53430%0.304SS..EExtended strand (participates in β ladder)trans-84.7135.7171.7-53.90000108.7T135 L136T135-T180 HydrophobicContact CG2-CG2 4.43Å; L136-T180 WeakPolarHBondContact O-CA 3.4Å; L136-T180 WeakPolarHBondContact O-CG2 3.44Å
181V95Very high90Very high6 Ų650.8 Ų50.84%0.03629%0.291CS..EExtended strand (participates in β ladder)trans-125.7142.6-174.9-67.40000110.3L136 V138 D186 T187L136-V181 HydrophobicContact CB-CG2 3.68Å; L136-V181 PolarHBondContact O-N 2.99Å; V138-V181 HydrophobicContact CG1-CG2 4.26Å; V138-V181 HydrophobicContact CG2-CG1 3.87Å; V181-D186 HydrophobicContact CB-CB 3.93Å; V181-D186 HydrophobicContact CG1-CB 3.85Å; V181-T187 HydrophobicContact CG2-CG2 4.43Å; V181-T187 WeakPolarHBondContact CG2-OG1 3.18Å
182L90.5Very high90.3Very high144 Ų14451.7 Ų51.775%0.75430%0.295SS*.SBendtrans-113.8-30.2-174.1-61.5178.7000112.5F123 D186F123-L182 WeakPolarHBondContact CE1-O 3.38Å; L182-D186 WeakPolarHBondContact CA-OD2 3.39Å; L182-D186 PolarHBondContact N-OD2 2.88Å
183V91Very high90.5Very high74 Ų7451 Ų5145%0.44829%0.293SS..SBendtrans-130.1166.9175.5-62.40000112.5F123 L185 D186 T187F123-V183 WeakPolarHBondContact CZ-O 3.46Å; V183-L185 HydrophobicContact CG2-CB 4.12Å; V183-L185 PolarHBondContact O-N 3.24Å; V183-D186 WeakPolarHBondContact CG2-OD1 3.49Å; V183-D186 PolarHBondContact N-OD2 3.49Å; V183-D186 PolarHBondContact O-N 3.03Å; V183-T187 PolarHBondContact O-N 2.9Å; V183-T187 PolarHBondContact O-OG1 3.14Å
184A90.4Very high90.5Very high27 Ų2748.8 Ų48.822%0.22328%0.281CS..Hα-helixtrans-54.4-41.5176.200000112.2I119 F123 D186 T187 V188I119-A184 HydrophobicContact CG2-CB 4.01Å; F123-A184 HydrophobicContact CB-CB 4.41Å; F123-A184 HydrophobicContact CD2-CB 3.72Å; F123-A184 HydrophobicContact CE2-CB 4.27Å; F123-A184 HydrophobicContact CG-CB 4.1Å; A184-D186 PolarHBondContact O-N 3.38Å; A184-T187 WeakPolarHBondContact O-CA 3.32Å; A184-T187 VanDerWaalsContact O-CB 3.3Å; A184-T187 WeakPolarHBondContact O-CB 3.41Å; A184-T187 PolarHBondContact O-N 3.22Å; A184-T187 VanDerWaalsContact O-N 3.08Å; A184-V188 WeakPolarHBondContact O-CG2 3.49Å; A184-V188 PolarHBondContact O-N 3.43Å
185L89.4Confident90.3Very high117 Ų11746.4 Ų46.461%0.61327%0.267SS*.Hα-helixtrans-61.7-41.7-178.9-169.465.4000113.1V183 T187 V188 S189V183-L185 HydrophobicContact CG2-CB 4.12Å; V183-L185 PolarHBondContact O-N 3.24Å; L185-T187 PolarHBondContact O-N 3Å; L185-V188 PolarHBondContact O-N 3.27Å; L185-S189 WeakPolarHBondContact O-CB 3.45Å; L185-S189 PolarHBondContact O-N 3.35Å
186D91.4Very high90.1Very high62 Ų6250.3 Ų50.333%0.33228%0.276SS..Hα-helixtrans-58.9-39.7174.6-48.7-29.2000111.1V181 L182 V183 A184 C190V181-D186 HydrophobicContact CB-CB 3.93Å; V181-D186 HydrophobicContact CG1-CB 3.85Å; L182-D186 WeakPolarHBondContact CA-OD2 3.39Å; L182-D186 PolarHBondContact N-OD2 2.88Å; V183-D186 WeakPolarHBondContact CG2-OD1 3.49Å; V183-D186 PolarHBondContact N-OD2 3.49Å; V183-D186 PolarHBondContact O-N 3.03Å; A184-D186 PolarHBondContact O-N 3.38Å; D186-C190 PolarHBondContact O-N 3.01Å; D186-C190 PolarHBondContact O-SG 2.88Å
187T91.6Very high89.6Confident1 Ų151.7 Ų51.71%0.00629%0.288CS..Hα-helixtrans-72.8-40.3-175.3-46.60000110.8I119 F123 V138 V181 V183 A184 L185 C190 L191 F216I119-T187 HydrophobicContact CB-CG2 4.49Å; I119-T187 HydrophobicContact CD1-CG2 3.75Å; I119-T187 HydrophobicContact CG1-CG2 3.76Å; I119-T187 HydrophobicContact CG2-CG2 3.92Å; F123-T187 WeakPolarHBondContact CE2-OG1 3.34Å; V138-T187 HydrophobicContact CG1-CG2 3.83Å; V181-T187 HydrophobicContact CG2-CG2 4.43Å; V181-T187 WeakPolarHBondContact CG2-OG1 3.18Å; V183-T187 PolarHBondContact O-N 2.9Å; V183-T187 PolarHBondContact O-OG1 3.14Å; A184-T187 WeakPolarHBondContact O-CA 3.32Å; A184-T187 VanDerWaalsContact O-CB 3.3Å; A184-T187 WeakPolarHBondContact O-CB 3.41Å; A184-T187 PolarHBondContact O-N 3.22Å; A184-T187 VanDerWaalsContact O-N 3.08Å; L185-T187 PolarHBondContact O-N 3Å; T187-C190 PolarHBondContact O-N 3.44Å; T187-L191 PolarHBondContact O-N 3.36Å; T187-F216 HydrophobicContact CG2-CZ 4.41Å
188V90Very high89.1Confident4 Ų450 Ų502%0.02428%0.276CS..Hα-helixtrans-66.6-43.7172.31700000111.1Y102 I119 A184 L185 C190 L191 E192Y102-V188 HydrophobicContact CD1-CG1 4.31Å; Y102-V188 HydrophobicContact CE1-CG1 3.46Å; Y102-V188 VanDerWaalsContact CE1-CG1 3.46Å; I119-V188 HydrophobicContact CD1-CG2 4.04Å; I119-V188 HydrophobicContact CG2-CG2 4.15Å; A184-V188 WeakPolarHBondContact O-CG2 3.49Å; A184-V188 PolarHBondContact O-N 3.43Å; L185-V188 PolarHBondContact O-N 3.27Å; V188-C190 VanDerWaalsContact C-N 3.26Å; V188-C190 PolarHBondContact O-N 3.37Å; V188-L191 WeakPolarHBondContact O-CA 3.33Å; V188-L191 VanDerWaalsContact O-CB 3.31Å; V188-L191 WeakPolarHBondContact O-CB 3.31Å; V188-L191 PolarHBondContact O-N 2.94Å; V188-E192 VanDerWaalsContact CG1-OE1 3.23Å; V188-E192 WeakPolarHBondContact CG1-OE1 3.41Å; V188-E192 PolarHBondContact O-N 3.42Å
189S90.2Very high87.5Confident64 Ų6448.7 Ų48.745%0.44827%0.274SS..Hα-helixtrans-61.2-33.3175.7-173.70000112.6L185 E192 Q193L185-S189 WeakPolarHBondContact O-CB 3.45Å; L185-S189 PolarHBondContact O-N 3.35Å; S189-E192 PolarHBondContact O-N 3.33Å; S189-Q193 WeakPolarHBondContact O-CB 3.31Å; S189-Q193 PolarHBondContact O-N 2.88Å
190C91.9Very high85.5Confident9 Ų950 Ų506%0.06129%0.288CS..Hα-helixtrans-68.4-35.5171.4-670000113.2V138 L152 D186 T187 V188 G194V138-C190 HydrophobicContact CG2-CB 3.74Å; L152-C190 HydrophobicContact CD2-CB 4.16Å; L152-C190 WeakPolarHBondContact CD2-O 3.49Å; D186-C190 PolarHBondContact O-N 3.01Å; D186-C190 PolarHBondContact O-SG 2.88Å; T187-C190 PolarHBondContact O-N 3.44Å; V188-C190 VanDerWaalsContact C-N 3.26Å; V188-C190 PolarHBondContact O-N 3.37Å; C190-G194 PolarHBondContact O-N 3.39Å
191L90.1Very high83Confident0 Ų046.9 Ų46.90%027%0.271CS..Hα-helixtrans-64.4-47.5172.4175.166.5000110.6Y102 I115 P116 Y140 T187 V188 G194 N195 F216Y102-L191 HydrophobicContact CD1-CD2 4.29Å; I115-L191 HydrophobicContact CB-CD2 4.22Å; I115-L191 HydrophobicContact CD1-CD1 4.21Å; I115-L191 HydrophobicContact CG2-CD1 4.08Å; I115-L191 HydrophobicContact CG2-CD2 3.77Å; I115-L191 HydrophobicContact CG2-CG 4.47Å; P116-L191 HydrophobicContact CG-CD2 4.03Å; Y140-L191 HydrophobicContact CE1-CD1 3.87Å; T187-L191 PolarHBondContact O-N 3.36Å; V188-L191 WeakPolarHBondContact O-CA 3.33Å; V188-L191 VanDerWaalsContact O-CB 3.31Å; V188-L191 WeakPolarHBondContact O-CB 3.31Å; V188-L191 PolarHBondContact O-N 2.94Å; L191-G194 PolarHBondContact O-N 2.81Å; L191-N195 WeakPolarHBondContact O-CB 3.37Å; L191-N195 PolarHBondContact O-N 3.03Å; L191-N195 PolarHBondContact O-OD1 3.13Å; L191-F216 HydrophobicContact CB-CE2 3.92Å; L191-F216 HydrophobicContact CB-CZ 4.32Å; L191-F216 HydrophobicContact CD1-CD2 4.03Å; L191-F216 HydrophobicContact CD1-CE2 4.26Å
192E87.9Confident80.2Confident34 Ų3450 Ų5016%0.15929%0.293CS..Hα-helixtrans-62-46.2178.1-71.9167.7-163.600112.6Y102 A104 V188 S189 G194 N195 N196Y102-E192 HydrophobicContact CD1-CG 4.34Å; Y102-E192 WeakPolarHBondContact CE1-OE1 3.35Å; A104-E192 VanDerWaalsContact CA-OE1 3.24Å; A104-E192 WeakPolarHBondContact CA-OE1 3.45Å; A104-E192 VanDerWaalsContact CB-OE1 3.32Å; A104-E192 WeakPolarHBondContact CB-OE1 3.36Å; A104-E192 PolarHBondContact N-OE1 3.26Å; V188-E192 VanDerWaalsContact CG1-OE1 3.23Å; V188-E192 WeakPolarHBondContact CG1-OE1 3.41Å; V188-E192 PolarHBondContact O-N 3.42Å; S189-E192 PolarHBondContact O-N 3.33Å; E192-G194 VanDerWaalsContact C-N 3.28Å; E192-G194 PolarHBondContact O-N 2.84Å; E192-N195 PolarHBondContact O-N 3.36Å; E192-N196 WeakPolarHBondContact O-CB 3.32Å; E192-N196 PolarHBondContact O-N 2.81Å; E192-N196 PolarHBondContact O-ND2 2.71Å
193Q88.1Confident77.9Confident55 Ų5545.7 Ų45.726%0.25727%0.273SS..Hα-helixtrans-54.5-48.3175.2-172.5-159.9-20.900110.2L152 S189 N196 S197L152-Q193 PolarHBondContact O-NE2 3.02Å; S189-Q193 WeakPolarHBondContact O-CB 3.31Å; S189-Q193 PolarHBondContact O-N 2.88Å; Q193-N196 PolarHBondContact O-N 3.03Å; Q193-S197 PolarHBondContact O-N 2.71Å; Q193-S197 PolarHBondContact O-OG 3.4Å; Q193-S197 VanDerWaalsContact O-OG 3.09Å
194G87.2Confident75.4Confident0 Ų046.9 Ų46.90%029%0.291CS..Hα-helixtrans-73.4-31.9-178.500000114.5C190 L191 E192 N196 S197 R198C190-G194 PolarHBondContact O-N 3.39Å; L191-G194 PolarHBondContact O-N 2.81Å; E192-G194 VanDerWaalsContact C-N 3.28Å; E192-G194 PolarHBondContact O-N 2.84Å; G194-N196 VanDerWaalsContact C-N 3.28Å; G194-N196 PolarHBondContact O-N 3.18Å; G194-S197 PolarHBondContact O-N 3.32Å; G194-R198 PolarHBondContact O-N 3.15Å
195N84Confident73.2Confident15 Ų1547.9 Ų47.98%0.0829%0.291CS..Hα-helixtrans-61.2-39.1170.6-71.5-9.7000110.8Y102 Y140 L191 E192Y102-N195 PolarHBondContact N-ND2 3.49Å; Y102-N195 PolarHBondContact O-ND2 2.91Å; Y140-N195 PolarHBondContact OH-OD1 3.38Å; L191-N195 WeakPolarHBondContact O-CB 3.37Å; L191-N195 PolarHBondContact O-N 3.03Å; L191-N195 PolarHBondContact O-OD1 3.13Å; E192-N195 PolarHBondContact O-N 3.36Å
196N81.1Confident71.1Confident129 Ų12946.1 Ų46.169%0.6928%0.282SS*.Hα-helixtrans-73.9-28.4175.4-72-45.3000113.5E192 Q193 G194E192-N196 WeakPolarHBondContact O-CB 3.32Å; E192-N196 PolarHBondContact O-N 2.81Å; E192-N196 PolarHBondContact O-ND2 2.71Å; Q193-N196 PolarHBondContact O-N 3.03Å; G194-N196 VanDerWaalsContact C-N 3.28Å; G194-N196 PolarHBondContact O-N 3.18Å
197S79.6Confident69.1Low60 Ų6046.7 Ų46.742%0.4229%0.292SS..Hα-helixtrans-80-19.6175-63.70000114.3L151 Q193 G194L151-S197 WeakPolarHBondContact O-CB 3.49Å; L151-S197 PolarHBondContact O-OG 2.81Å; L151-S197 VanDerWaalsContact O-OG 3.06Å; Q193-S197 PolarHBondContact O-N 2.71Å; Q193-S197 PolarHBondContact O-OG 3.4Å; Q193-S197 VanDerWaalsContact O-OG 3.09Å; G194-S197 PolarHBondContact O-N 3.32Å
198R79.6Confident67.2Low10 Ų1051.7 Ų51.74%0.03832%0.315CS..SBendtrans-62.7139.3-174.4-163.4-179-179.9175.30.5111.4E142 L151 G194 V200 S209 S212 D240E142-R198 WeakPolarHBondContact OE2-CG 3.18Å; L151-R198 HydrophobicContact CD2-CB 4.39Å; G194-R198 PolarHBondContact O-N 3.15Å; R198-V200 WeakPolarHBondContact O-CG2 3.22Å; R198-V200 PolarHBondContact O-N 3.22Å; R198-S209 PolarHBondContact NH2-O 3.28Å; R198-S212 PolarHBondContact NE-OG 3.23Å; R198-S212 VanDerWaalsContact NE-OG 3.15Å; R198-S212 PolarHBondContact NH2-O 3.36Å; R198-D240 IonicContact CZ-OD2 2.71Å; R198-D240 IonicContact NH1-OD2 3.2Å; R198-D240 PolarHBondContact NH1-OD2 3.25Å; R198-D240 IonicContact NH2-OD2 3.07Å; R198-D240 PolarHBondContact NH2-OD2 3.27Å
199T60.1Low65.4Low54 Ų5452.9 Ų52.933%0.33132%0.323SS..  trans-6797.1-172-61.10000113.1E142 A201E142-T199 VanDerWaalsContact OE1-CB 3.29Å; E142-T199 WeakPolarHBondContact OE1-CB 3.43Å; E142-T199 PolarHBondContact OE1-N 3.41Å; E142-T199 PolarHBondContact OE1-OG1 3.4Å; E142-T199 PolarHBondContact OE2-N 2.97Å; T199-A201 PolarHBondContact O-N 2.91Å
200V51.6Low64.1Low97 Ų9750.3 Ų50.359%0.58831%0.305SS*.  trans-80106.7-177.3-177.10000112.4R198 Q208R198-V200 WeakPolarHBondContact O-CG2 3.22Å; R198-V200 PolarHBondContact O-N 3.22Å; V200-Q208 HydrophobicContact CG2-CG 4.45Å
201A41.9Very low63.2Low22 Ų2251 Ų5118%0.18231%0.306CS..  trans-129.7113.8173.100000112.6T199 R211T199-A201 PolarHBondContact O-N 2.91Å; A201-R211 PolarHBondContact O-NE 3.34Å; A201-R211 PolarHBondContact O-NH2 3.47Å
202S37.3Very low62.8Low73 Ų7351 Ų5151%0.5131%0.307SS..  trans-71.6138.1-174.355.30000114.3R211 R256S202-R211 PolarHBondContact O-NH2 3.18Å; S202-R256 PolarHBondContact O-NH1 3.13Å; S202-R256 PolarHBondContact O-NH2 2.92Å
203T42Very low62.9Low52 Ų5249.7 Ų49.732%0.31930%0.301SS..  trans-121.9162166690000110.2M205 N206T203-M205 PolarHBondContact O-N 3Å; T203-M205 VanDerWaalsContact O-N 3.14Å; T203-M205 PolarHBondContact OG1-N 3.13Å; T203-N206 PolarHBondContact OG1-N 2.9Å; T203-N206 PolarHBondContact OG1-O 3.39Å
204A39.1Very low63.1Low100 Ų10047.1 Ų47.183%0.82629%0.289SS*.SBendtrans-76.213.5175.500000114.5K22K22-A204 PolarHBondContact NZ-O 3.15Å; K22-A204 VanDerWaalsContact NZ-O 3.12Å
205M42.8Very low63.4Low48 Ų4847.5 Ų47.524%0.23629%0.291CS..SBendtrans-124.8-26.8-179.4-154.5167.3-164.600113.6T203T203-M205 PolarHBondContact O-N 3Å; T203-M205 VanDerWaalsContact O-N 3.14Å; T203-M205 PolarHBondContact OG1-N 3.13Å
206N46.6Very low64Low79 Ų7946.8 Ų46.842%0.42229%0.287SS..  trans-171.2156.2148.2-106.3-61.3000110.6T90 G91 T203T90-N206 HydrophobicContact CG2-CB 4.05Å; G91-N206 WeakPolarHBondContact CA-ND2 3.47Å; T203-N206 PolarHBondContact OG1-N 2.9Å; T203-N206 PolarHBondContact OG1-O 3.39Å
207S49.1Very low64.7Low75 Ų7541.2 Ų41.252%0.52426%0.257SS..SBendtrans-85.7164.6174.139.20000113.2S209S207-S209 PolarHBondContact O-N 3.01Å
208Q50.3Low65.5Low106 Ų10638.3 Ų38.350%0.49524%0.237SC..SBendtrans79.9-48160.8-152.7167.1-2.300119.9V200V200-Q208 HydrophobicContact CG2-CG 4.45Å
209S54.1Low66.2Low28 Ų2838.3 Ų38.320%0.19624%0.239CC..SBendtrans-125.5-7.4-169.268.60000117.9T95 R198 S207 R211T95-S209 WeakPolarHBondContact CB-OG 3.31Å; T95-S209 VanDerWaalsContact OG1-CB 3.22Å; T95-S209 WeakPolarHBondContact OG1-CB 3.48Å; T95-S209 PolarHBondContact OG1-OG 2.88Å; R198-S209 PolarHBondContact NH2-O 3.28Å; S207-S209 PolarHBondContact O-N 3.01Å; S209-R211 PolarHBondContact O-N 3.46Å
210S61.8Low67.7Low11 Ų1135.8 Ų35.88%0.07722%0.223CC..THydrogen-bonded Turntrans-65.2-11.9-167.137.50000116.5T90 A242 G243T90-S210 WeakPolarHBondContact OG1-CB 3.44Å; S210-A242 WeakPolarHBondContact O-CB 3.41Å; S210-G243 PolarHBondContact O-N 2.99Å
211R72.4Confident69.7Low22 Ų2233.4 Ų33.48%0.08321%0.206CC..THydrogen-bonded Turntrans-118.1-5-158-49-154.7-161.8-167.74.7117A201 S202 S209 E259 I263A201-R211 PolarHBondContact O-NE 3.34Å; A201-R211 PolarHBondContact O-NH2 3.47Å; S202-R211 PolarHBondContact O-NH2 3.18Å; S209-R211 PolarHBondContact O-N 3.46Å; R211-E259 WeakPolarHBondContact CD-OE1 3.4Å; R211-E259 IonicContact CZ-OE1 2.69Å; R211-E259 IonicContact NE-OE1 3.28Å; R211-E259 IonicContact NH1-OE1 2.58Å; R211-E259 PolarHBondContact NH1-OE1 3.39Å; R211-E259 IonicContact NH1-OE2 3.48Å; R211-E259 PolarHBondContact NH1-OE2 3.04Å; R211-I263 HydrophobicContact CB-CD1 3.9Å; R211-I263 VanDerWaalsContact O-CD1 3.3Å; R211-I263 WeakPolarHBondContact O-CD1 3.49Å; R211-I263 WeakPolarHBondContact O-CG1 3.34Å
212S82.6Confident71.9Confident2 Ų232.8 Ų32.81%0.01420%0.199CC..SBendtrans-138.7147.2178.667.70000111.2E142 I143 R198E142-S212 WeakPolarHBondContact OE2-CB 3.12Å; E142-S212 PolarHBondContact OE2-OG 2.71Å; I143-S212 WeakPolarHBondContact O-CA 3.23Å; I143-S212 WeakPolarHBondContact O-CB 3.41Å; R198-S212 PolarHBondContact NE-OG 3.23Å; R198-S212 VanDerWaalsContact NE-OG 3.15Å; R198-S212 PolarHBondContact NH2-O 3.36Å
213H89.7Confident74.3Confident6 Ų633.1 Ų33.13%0.02819%0.189CC..EExtended strand (participates in β ladder)trans-87.9109.2174.5-52.8-86.7000108.8E142 I143 L241 A242 L293E142-H213 CarbonylContact C-O 3.24Å; E142-H213 WeakPolarHBondContact CA-O 3.46Å; I143-H213 HydrophobicContact CB-CB 4.18Å; I143-H213 HydrophobicContact CD1-CB 4.49Å; I143-H213 HydrophobicContact CG1-CB 4.42Å; I143-H213 PolarHBondContact N-O 2.72Å; I143-H213 PolarHBondContact O-N 3.11Å; H213-L241 HydrophobicContact CB-CD2 4.26Å; H213-L241 WeakPolarHBondContact ND1-CD2 3.33Å; H213-A242 PolarHBondContact ND1-N 3.48Å; H213-A242 VanDerWaalsContact ND1-N 3.2Å; H213-L293 HydrophobicContact CB-CD1 4.04Å
214A91.7Very high76.4Confident1 Ų134.5 Ų34.51%0.00819%0.191CC..EExtended strand (participates in β ladder)trans-93.8133.517900000110.5Y140 L141 V239 D240Y140-A214 HydrophobicContact CE2-CB 3.9Å; L141-A214 WeakPolarHBondContact O-CA 3.41Å; A214-V239 WeakPolarHBondContact O-CA 3.47Å; A214-D240 HydrophobicContact CB-CB 4.48Å; A214-D240 PolarHBondContact N-O 3.07Å; A214-D240 PolarHBondContact O-N 3.48Å
215I94.8Very high78.5Confident7 Ų735.5 Ų35.54%0.03618%0.177CC..EExtended strand (participates in β ladder)trans-126.8102.5178.7-54.7179.6000109.1L141 I143 V239 L296L141-I215 HydrophobicContact CD1-CB 3.99Å; L141-I215 HydrophobicContact CD1-CD1 4.22Å; L141-I215 HydrophobicContact CD1-CG1 4.17Å; L141-I215 HydrophobicContact CG-CB 4.15Å; L141-I215 PolarHBondContact N-O 2.97Å; L141-I215 PolarHBondContact O-N 3.36Å; I143-I215 HydrophobicContact CD1-CD1 4.33Å; I215-V239 HydrophobicContact CB-CG2 4.49Å; I215-V239 HydrophobicContact CG1-CG1 4.09Å; I215-V239 HydrophobicContact CG1-CG2 4.1Å; I215-V239 HydrophobicContact CG2-CG2 4.06Å; I215-L296 HydrophobicContact CD1-CB 4.25Å; I215-L296 HydrophobicContact CD1-CD1 4.09Å
216F95.6Very high80.2Confident1 Ų137.7 Ų37.70%0.00420%0.197CC..EExtended strand (participates in β ladder)trans-86.7122.6169.7-168.2-92.4000108.2I115 V138 Y140 T187 L191 I218 L238I115-F216 HydrophobicContact CG2-CD1 4.09Å; I115-F216 HydrophobicContact CG2-CE1 4.28Å; I115-F216 HydrophobicContact CG2-CG 4.5Å; V138-F216 HydrophobicContact CB-CZ 4.17Å; V138-F216 HydrophobicContact CG1-CE1 4.13Å; V138-F216 HydrophobicContact CG1-CZ 3.97Å; Y140-F216 AromaticContact CD1-CD2 3.64Å; Y140-F216 HydrophobicContact CD1-CD2 3.64Å; Y140-F216 HydrophobicContact CD1-CE2 4.18Å; Y140-F216 HydrophobicContact CD2-CB 3.83Å; Y140-F216 AromaticContact CD2-CD2 3.88Å; Y140-F216 HydrophobicContact CD2-CD2 3.88Å; Y140-F216 HydrophobicContact CD2-CG 4.36Å; Y140-F216 HydrophobicContact CE1-CD2 4.08Å; Y140-F216 HydrophobicContact CE2-CB 3.9Å; Y140-F216 HydrophobicContact CE2-CD2 4.25Å; Y140-F216 HydrophobicContact CG-CB 4.39Å; Y140-F216 AromaticContact CG-CD2 3.56Å; Y140-F216 HydrophobicContact CG-CD2 3.56Å; Y140-F216 HydrophobicContact CG-CE2 4.35Å; Y140-F216 HydrophobicContact CG-CG 4.44Å; T187-F216 HydrophobicContact CG2-CZ 4.41Å; L191-F216 HydrophobicContact CB-CE2 3.92Å; L191-F216 HydrophobicContact CB-CZ 4.32Å; L191-F216 HydrophobicContact CD1-CD2 4.03Å; L191-F216 HydrophobicContact CD1-CE2 4.26Å; F216-I218 HydrophobicContact CD1-CD1 4.36Å; F216-I218 HydrophobicContact CD1-CG1 3.92Å; F216-I218 HydrophobicContact CE1-CD1 3.89Å; F216-I218 HydrophobicContact CE1-CG1 3.59Å; F216-L238 HydrophobicContact CB-CB 4.41Å; F216-L238 HydrophobicContact CD1-CD1 4.28Å; F216-L238 PolarHBondContact N-O 3.46Å; F216-L238 PolarHBondContact O-N 3.08Å
217T95.9Very high81.5Confident11 Ų1137 Ų377%0.06719%0.193CC..EExtended strand (participates in β ladder)trans-119.1126.1-177.3-60.20000110.3V138 S139 L236 H237V138-T217 VanDerWaalsContact CA-O 3.29Å; V138-T217 WeakPolarHBondContact CA-O 3.37Å; S139-T217 PolarHBondContact N-O 2.79Å; S139-T217 PolarHBondContact O-N 2.97Å; T217-L236 CarbonylContact C-O 3.59Å; T217-L236 WeakPolarHBondContact CA-O 3.33Å; T217-H237 VanDerWaalsContact CG2-CE1 3.48Å; T217-H237 WeakPolarHBondContact CG2-CE1 3.34Å; T217-H237 WeakPolarHBondContact CG2-ND1 3.33Å; T217-H237 PolarHBondContact OG1-ND1 3.39Å
218I96.1Very high82.2Confident0 Ų041.3 Ų41.30%020%0.202CC..EExtended strand (participates in β ladder)trans-108.2112.5171-45.3174.3000108V118 I119 L122 L136 K137 V138 F216 I220 L236 L238V118-I218 HydrophobicContact CG1-CD1 4.33Å; I119-I218 HydrophobicContact CG1-CD1 4.35Å; L122-I218 HydrophobicContact CD1-CD1 3.56Å; L122-I218 HydrophobicContact CD1-CG2 4.35Å; L136-I218 HydrophobicContact CD2-CG2 4.44Å; L136-I218 HydrophobicContact CG-CG2 4.46Å; K137-I218 CarbonylContact O-C 3.56Å; K137-I218 WeakPolarHBondContact O-CA 3.42Å; V138-I218 HydrophobicContact CG1-CB 4.48Å; V138-I218 HydrophobicContact CG1-CG1 4.09Å; V138-I218 HydrophobicContact CG1-CG2 4.26Å; F216-I218 HydrophobicContact CD1-CD1 4.36Å; F216-I218 HydrophobicContact CD1-CG1 3.92Å; F216-I218 HydrophobicContact CE1-CD1 3.89Å; F216-I218 HydrophobicContact CE1-CG1 3.59Å; I218-I220 HydrophobicContact CG2-CD1 4.16Å; I218-I220 HydrophobicContact CG2-CG1 4.04Å; I218-L236 HydrophobicContact CB-CB 4.47Å; I218-L236 HydrophobicContact CD1-CD2 4.41Å; I218-L236 PolarHBondContact N-O 3.22Å; I218-L236 PolarHBondContact O-N 2.99Å; I218-L238 HydrophobicContact CD1-CD1 4.42Å
219S94Very high82.9Confident9 Ų938.8 Ų38.86%0.06319%0.192CC..EExtended strand (participates in β ladder)trans-89.1126168.7-67.90000109.2L136 K137L136-S219 WeakPolarHBondContact CA-O 3.38Å; K137-S219 PolarHBondContact N-O 2.89Å; K137-S219 PolarHBondContact O-N 3.24Å
220I93.6Very high83.7Confident1 Ų138.8 Ų38.81%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-118.4113179.9-67144.8000108.2V76 L122 F134 L136 I218 R233 S234V76-I220 HydrophobicContact CG1-CD1 3.56Å; L122-I220 HydrophobicContact CD1-CD1 4.26Å; L122-I220 HydrophobicContact CD2-CD1 3.73Å; F134-I220 HydrophobicContact CD1-CG2 4.23Å; L136-I220 HydrophobicContact CD1-CG1 4.05Å; L136-I220 HydrophobicContact CD1-CG2 4.24Å; L136-I220 HydrophobicContact CD2-CG1 4.47Å; L136-I220 HydrophobicContact CG-CG1 3.87Å; I218-I220 HydrophobicContact CG2-CD1 4.16Å; I218-I220 HydrophobicContact CG2-CG1 4.04Å; I220-R233 WeakPolarHBondContact O-CA 3.49Å; I220-S234 PolarHBondContact N-O 3.11Å; I220-S234 PolarHBondContact O-N 3.25Å; I220-S234 PolarHBondContact O-OG 2.85Å
221E91.7Very high84.7Confident48 Ų4838.3 Ų38.322%0.22419%0.189CC..EExtended strand (participates in β ladder)trans-91.8131162.3-163.9-169.514600108.8F134 T135 R223 F232F134-E221 WeakPolarHBondContact CA-O 3.47Å; T135-E221 PolarHBondContact N-O 3.21Å; T135-E221 PolarHBondContact O-N 2.8Å; E221-R223 IonicContact OE1-CZ 3.4Å; E221-R223 IonicContact OE1-NE 2.71Å; E221-R223 IonicContact OE1-NH2 3.11Å; E221-R223 PolarHBondContact OE1-NH2 3.48Å; E221-F232 CarbonylContact C-O 3.2Å; E221-F232 WeakPolarHBondContact CA-O 3.38Å
222Q89.8Confident85.4Confident8 Ų840 Ų404%0.03720%0.197CC..EExtended strand (participates in β ladder)trans-126.7122.2178.3173.8178.3-1400109.1F77 F132 F134 S231 F232F77-Q222 PolarHBondContact O-OE1 3.46Å; F132-Q222 HydrophobicContact CB-CG 4.16Å; F132-Q222 HydrophobicContact CD1-CG 3.56Å; F132-Q222 VanDerWaalsContact CD1-NE2 3.28Å; F132-Q222 HydrophobicContact CE1-CG 4.23Å; F132-Q222 HydrophobicContact CG-CG 4.05Å; F134-Q222 HydrophobicContact CD1-CB 3.86Å; F134-Q222 HydrophobicContact CD1-CG 4Å; F134-Q222 HydrophobicContact CE1-CB 3.69Å; F134-Q222 VanDerWaalsContact CE1-CD 3.47Å; F134-Q222 HydrophobicContact CE1-CG 3.42Å; F134-Q222 VanDerWaalsContact CE1-CG 3.42Å; F134-Q222 HydrophobicContact CZ-CG 3.88Å; Q222-S231 WeakPolarHBondContact O-CA 3.4Å; Q222-F232 PolarHBondContact N-O 2.76Å; Q222-F232 PolarHBondContact O-N 3.06Å
223R87.8Confident85.7Confident80 Ų8044.4 Ų44.430%0.30221%0.213SC..EExtended strand (participates in β ladder)trans-124135.7-178.3-168.7-178.8-62.2157.1-3.4110.8F132 E133 E221 S230F132-R223 CarbonylContact C-O 3.34Å; F132-R223 VanDerWaalsContact CA-O 3.32Å; F132-R223 WeakPolarHBondContact CA-O 3.41Å; E133-R223 PolarHBondContact N-O 3.25Å; E133-R223 PolarHBondContact O-N 3.36Å; E133-R223 IonicContact OE2-NH1 2.69Å; E221-R223 IonicContact OE1-CZ 3.4Å; E221-R223 IonicContact OE1-NE 2.71Å; E221-R223 IonicContact OE1-NH2 3.11Å; E221-R223 PolarHBondContact OE1-NH2 3.48Å; R223-S230 WeakPolarHBondContact CA-O 3.38Å
224K85.7Confident85.8Confident82 Ų8244.2 Ų44.236%0.35721%0.212SC..EExtended strand (participates in β ladder)trans-79.1127.9180-159.9179.4-179-1710111F132 S226 D227 S230F132-K224 HydrophobicContact CD1-CB 3.99Å; F132-K224 HydrophobicContact CD1-CG 4.2Å; F132-K224 HydrophobicContact CE1-CB 3.76Å; F132-K224 HydrophobicContact CE1-CD 4.4Å; F132-K224 HydrophobicContact CE1-CG 3.82Å; F132-K224 HydrophobicContact CZ-CD 4.41Å; F132-K224 HydrophobicContact CZ-CG 4.12Å; K224-S226 VanDerWaalsContact CD-OG 3.32Å; K224-S226 WeakPolarHBondContact CD-OG 3.08Å; K224-S226 WeakPolarHBondContact CE-OG 3.43Å; K224-S226 PolarHBondContact O-N 2.75Å; K224-D227 CarbonylContact O-C 3.46Å; K224-D227 PolarHBondContact O-N 2.91Å; K224-D227 VanDerWaalsContact O-N 3.11Å; K224-D227 VanDerWaalsContact O-O 3.1Å; K224-S230 VanDerWaalsContact CB-OG 3.26Å; K224-S230 WeakPolarHBondContact CB-OG 3.46Å; K224-S230 PolarHBondContact N-O 3.1Å; K224-S230 VanDerWaalsContact N-O 3.15Å
225K83.6Confident85.9Confident121 Ų12146.8 Ų46.853%0.52622%0.223SC..THydrogen-bonded Turntrans-63.2-30-179.2-71.7170.7172.9145.70113S130 D131 F132 E133S130-K225 WeakPolarHBondContact O-CD 3.21Å; S130-K225 PolarHBondContact O-NZ 2.65Å; D131-K225 WeakPolarHBondContact O-CB 3.42Å; D131-K225 PolarHBondContact O-N 2.91Å; F132-K225 WeakPolarHBondContact O-CE 3.39Å; F132-K225 PolarHBondContact O-NZ 3.17Å; E133-K225 HydrophobicContact CB-CG 4.33Å
226S77.6Confident85.9Confident94 Ų9446.5 Ų46.566%0.65722%0.222SC*.THydrogen-bonded Turntrans-78.1-22176.474.10000114.3K224K224-S226 VanDerWaalsContact CD-OG 3.32Å; K224-S226 WeakPolarHBondContact CD-OG 3.08Å; K224-S226 WeakPolarHBondContact CE-OG 3.43Å; K224-S226 PolarHBondContact O-N 2.75Å
227D73.2Confident85.9Confident64 Ų6448 Ų4834%0.34223%0.229SC..EExtended strand (participates in β ladder)trans-145.599179.6-178.114.2000111K224 N229 S230K224-D227 CarbonylContact O-C 3.46Å; K224-D227 PolarHBondContact O-N 2.91Å; K224-D227 VanDerWaalsContact O-N 3.11Å; K224-D227 VanDerWaalsContact O-O 3.1Å; D227-N229 PolarHBondContact O-N 3.38Å; D227-N229 VanDerWaalsContact O-N 3.1Å; D227-N229 WeakPolarHBondContact OD1-CA 3.42Å; D227-N229 VanDerWaalsContact OD1-CB 3.28Å; D227-N229 WeakPolarHBondContact OD1-CB 3.15Å; D227-N229 PolarHBondContact OD1-N 3.1Å; D227-N229 PolarHBondContact OD1-ND2 3.45Å; D227-S230 PolarHBondContact O-N 2.92Å; D227-S230 PolarHBondContact O-OG 3.48Å
228K65.1Low86Confident165 Ų16547.6 Ų47.672%0.71723%0.226SC*.EExtended strand (participates in β ladder)trans-63.7-11.7177.4-62.5-175177.4-174.50113.4S230K228-S230 VanDerWaalsContact C-N 3.26Å; K228-S230 PolarHBondContact O-N 2.97Å
229N64.3Low86Confident54 Ų5447.6 Ų47.629%0.28923%0.226SC..EExtended strand (participates in β ladder)trans-89.621.2172.6-44.1-100.2000112.7D227 T348 L351 K355D227-N229 PolarHBondContact O-N 3.38Å; D227-N229 VanDerWaalsContact O-N 3.1Å; D227-N229 WeakPolarHBondContact OD1-CA 3.42Å; D227-N229 VanDerWaalsContact OD1-CB 3.28Å; D227-N229 WeakPolarHBondContact OD1-CB 3.15Å; D227-N229 PolarHBondContact OD1-N 3.1Å; D227-N229 PolarHBondContact OD1-ND2 3.45Å; N229-T348 WeakPolarHBondContact O-CG2 3.32Å; N229-L351 WeakPolarHBondContact OD1-CD2 3.3Å; N229-K355 PolarHBondContact OD1-NZ 3.37Å; N229-K355 VanDerWaalsContact OD1-NZ 3.1Å
230S71.8Confident85.9Confident27 Ų2747.3 Ų47.319%0.18922%0.224CC..EExtended strand (participates in β ladder)trans-134.486.2175.363.30000110.6R223 K224 D227 K228R223-S230 WeakPolarHBondContact CA-O 3.38Å; K224-S230 VanDerWaalsContact CB-OG 3.26Å; K224-S230 WeakPolarHBondContact CB-OG 3.46Å; K224-S230 PolarHBondContact N-O 3.1Å; K224-S230 VanDerWaalsContact N-O 3.15Å; D227-S230 PolarHBondContact O-N 2.92Å; D227-S230 PolarHBondContact O-OG 3.48Å; K228-S230 VanDerWaalsContact C-N 3.26Å; K228-S230 PolarHBondContact O-N 2.97Å
231S82.3Confident85.8Confident2 Ų247.3 Ų47.31%0.01422%0.224CC..EExtended strand (participates in β ladder)trans-112.2130.3172.537.50000111.1Q222 D345 T348Q222-S231 WeakPolarHBondContact O-CA 3.4Å; S231-D345 WeakPolarHBondContact O-CB 3.26Å; S231-D345 PolarHBondContact O-N 2.84Å; S231-D345 WeakPolarHBondContact OG-CB 3.38Å; S231-D345 PolarHBondContact OG-OD2 3.32Å; S231-T348 PolarHBondContact OG-OG1 3.17Å
232F87.3Confident85.7Confident57 Ų5745 Ų4525%0.2521%0.213CC..EExtended strand (participates in β ladder)trans-108.3144.9169-56.8-72.5000109.2E221 Q222 V342 N343 I344E221-F232 CarbonylContact C-O 3.2Å; E221-F232 WeakPolarHBondContact CA-O 3.38Å; Q222-F232 PolarHBondContact N-O 2.76Å; Q222-F232 PolarHBondContact O-N 3.06Å; F232-V342 HydrophobicContact CD1-CG1 3.67Å; F232-V342 HydrophobicContact CE1-CG1 3.62Å; F232-N343 CarbonylContact C-O 3.59Å; F232-N343 WeakPolarHBondContact CA-O 3.5Å; F232-I344 HydrophobicContact CD1-CG1 4.1Å; F232-I344 HydrophobicContact CE1-CG1 4.02Å
233R88.1Confident85.4Confident95 Ų9544.7 Ų44.736%0.35821%0.212SC..EExtended strand (participates in β ladder)trans-132.6106.1176.9-174-179.6179.3-164.90.4110.3I220 N343I220-R233 WeakPolarHBondContact O-CA 3.49Å; R233-N343 PolarHBondContact N-O 3.42Å; R233-N343 WeakPolarHBondContact O-CB 3.33Å
234S91.9Very high85.2Confident2 Ų241.5 Ų41.51%0.01420%0.202CC..EExtended strand (participates in β ladder)trans-109.5150.3-179.552.70000111.5V76 Y80 I220V76-S234 WeakPolarHBondContact CG1-OG 3.28Å; V76-S234 PolarHBondContact O-OG 3.39Å; Y80-S234 VanDerWaalsContact O-CB 3.26Å; Y80-S234 WeakPolarHBondContact O-CB 3.42Å; I220-S234 PolarHBondContact N-O 3.11Å; I220-S234 PolarHBondContact O-N 3.25Å; I220-S234 PolarHBondContact O-OG 2.85Å
235K93Very high84.5Confident55 Ų5538.7 Ų38.724%0.23919%0.19CC..EExtended strand (participates in β ladder)trans-112.4132.8169.9-62.9175.6-174.8168.70109.7N81 A82N81-K235 CarbonylContact C-O 3.27Å; N81-K235 VanDerWaalsContact CA-O 3.27Å; N81-K235 WeakPolarHBondContact CA-O 3.26Å; N81-K235 PolarHBondContact OD1-N 3.43Å; A82-K235 PolarHBondContact N-O 2.93Å
236L96.1Very high83.6Confident0 Ų039 Ų390%019%0.188CC..EExtended strand (participates in β ladder)trans-111116.1168174.662.2000109.1I73 V76 A82 V118 L122 T217 I218 L238I73-L236 HydrophobicContact CD1-CD1 3.93Å; I73-L236 HydrophobicContact CD1-CD2 3.72Å; V76-L236 HydrophobicContact CG2-CD1 4.46Å; A82-L236 HydrophobicContact CB-CD1 3.64Å; A82-L236 CarbonylContact O-C 3.56Å; A82-L236 WeakPolarHBondContact O-CA 3.24Å; V118-L236 HydrophobicContact CG1-CD2 3.53Å; L122-L236 HydrophobicContact CD1-CD2 4.25Å; T217-L236 CarbonylContact C-O 3.59Å; T217-L236 WeakPolarHBondContact CA-O 3.33Å; I218-L236 HydrophobicContact CB-CB 4.47Å; I218-L236 HydrophobicContact CD1-CD2 4.41Å; I218-L236 PolarHBondContact N-O 3.22Å; I218-L236 PolarHBondContact O-N 2.99Å; L236-L238 HydrophobicContact CD1-CD2 3.94Å; L236-L238 HydrophobicContact CD2-CD2 4.35Å; L236-L238 HydrophobicContact CG-CD2 4.04Å; L236-L238 HydrophobicContact CG-CG 4.2Å
237H96.1Very high82.7Confident34 Ų3437.2 Ų37.216%0.15717%0.169CC..EExtended strand (participates in β ladder)trans-102.2127.2176.5-61.7-66.5000110.5A82 T83 V84 T217 V239A82-H237 PolarHBondContact O-N 2.97Å; T83-H237 CarbonylContact C-O 3.59Å; T83-H237 WeakPolarHBondContact CA-O 3.44Å; T83-H237 HydrophobicContact CG2-CB 4.08Å; V84-H237 PolarHBondContact N-O 3.46Å; T217-H237 VanDerWaalsContact CG2-CE1 3.48Å; T217-H237 WeakPolarHBondContact CG2-CE1 3.34Å; T217-H237 WeakPolarHBondContact CG2-ND1 3.33Å; T217-H237 PolarHBondContact OG1-ND1 3.39Å; H237-V239 HydrophobicContact CB-CG2 4.35Å
238L96.5Very high82Confident1 Ų143.1 Ų43.11%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-120.5113178.7-54.5172.5000107.7V84 M98 I115 V118 F216 I218 L236V84-L238 HydrophobicContact CB-CD2 3.95Å; V84-L238 HydrophobicContact CG2-CD2 4Å; M98-L238 HydrophobicContact CE-CB 3.91Å; I115-L238 HydrophobicContact CB-CD1 4.21Å; I115-L238 HydrophobicContact CD1-CB 4.32Å; I115-L238 HydrophobicContact CG1-CB 3.87Å; I115-L238 HydrophobicContact CG1-CD1 3.8Å; I115-L238 HydrophobicContact CG1-CG 4.41Å; I115-L238 HydrophobicContact CG2-CD1 3.92Å; V118-L238 HydrophobicContact CB-CD1 4.31Å; V118-L238 HydrophobicContact CG1-CD1 3.99Å; V118-L238 HydrophobicContact CG2-CD1 4.48Å; V118-L238 HydrophobicContact CG2-CD2 4.39Å; F216-L238 HydrophobicContact CB-CB 4.41Å; F216-L238 HydrophobicContact CD1-CD1 4.28Å; F216-L238 PolarHBondContact N-O 3.46Å; F216-L238 PolarHBondContact O-N 3.08Å; I218-L238 HydrophobicContact CD1-CD1 4.42Å; L236-L238 HydrophobicContact CD1-CD2 3.94Å; L236-L238 HydrophobicContact CD2-CD2 4.35Å; L236-L238 HydrophobicContact CG-CD2 4.04Å; L236-L238 HydrophobicContact CG-CG 4.2Å
239V95.8Very high81.8Confident0 Ų038.8 Ų38.80%017%0.173CC..EExtended strand (participates in β ladder)trans-122.3117.8-160.9-177.90000111.3T83 V84 L85 A86 A214 I215 H237 L241 L297T83-V239 HydrophobicContact CG2-CG2 4.38Å; V84-V239 PolarHBondContact O-N 2.95Å; L85-V239 WeakPolarHBondContact CA-O 3.38Å; L85-V239 HydrophobicContact CB-CB 3.87Å; L85-V239 HydrophobicContact CB-CG1 4.25Å; A86-V239 PolarHBondContact N-O 3.09Å; A214-V239 WeakPolarHBondContact O-CA 3.47Å; I215-V239 HydrophobicContact CB-CG2 4.49Å; I215-V239 HydrophobicContact CG1-CG1 4.09Å; I215-V239 HydrophobicContact CG1-CG2 4.1Å; I215-V239 HydrophobicContact CG2-CG2 4.06Å; H237-V239 HydrophobicContact CB-CG2 4.35Å; V239-L241 HydrophobicContact CG1-CD2 3.52Å; V239-L241 HydrophobicContact CG1-CG 3.99Å; V239-L297 HydrophobicContact CG2-CD2 4.14Å
240D93.3Very high81.6Confident3 Ų338.6 Ų38.62%0.01617%0.174CC..EExtended strand (participates in β ladder)trans-104.3100.1171.5-178.648.1000108.7K94 T95 M98 R198 A214K94-D240 WeakPolarHBondContact CB-OD1 3.37Å; T95-D240 VanDerWaalsContact CA-OD1 3.25Å; T95-D240 WeakPolarHBondContact CA-OD1 3.35Å; T95-D240 WeakPolarHBondContact CG2-OD2 3.44Å; T95-D240 PolarHBondContact N-OD1 3.49Å; T95-D240 VanDerWaalsContact N-OD1 3.12Å; T95-D240 VanDerWaalsContact OG1-CG 3.32Å; T95-D240 PolarHBondContact OG1-OD1 3.35Å; T95-D240 VanDerWaalsContact OG1-OD1 3.07Å; T95-D240 PolarHBondContact OG1-OD2 3.04Å; M98-D240 HydrophobicContact CB-CB 4.35Å; M98-D240 HydrophobicContact CG-CB 4.22Å; R198-D240 IonicContact CZ-OD2 2.71Å; R198-D240 IonicContact NH1-OD2 3.2Å; R198-D240 PolarHBondContact NH1-OD2 3.25Å; R198-D240 IonicContact NH2-OD2 3.07Å; R198-D240 PolarHBondContact NH2-OD2 3.27Å; A214-D240 HydrophobicContact CB-CB 4.48Å; A214-D240 PolarHBondContact N-O 3.07Å; A214-D240 PolarHBondContact O-N 3.48Å
241L91.7Very high81.2Confident1 Ų146.5 Ų46.51%0.00521%0.205CC..PPolyproline II helixtrans-75.3157-178.4-60.1176.3000111.6L85 A86 Y87 K94 H213 V239 L267 L270 L293L85-L241 HydrophobicContact CD1-CD1 4.23Å; A86-L241 WeakPolarHBondContact O-CB 3.28Å; A86-L241 WeakPolarHBondContact O-CG 3.41Å; A86-L241 PolarHBondContact O-N 3.17Å; Y87-L241 HydrophobicContact CD2-CD1 3.88Å; K94-L241 WeakPolarHBondContact CE-O 3.12Å; H213-L241 HydrophobicContact CB-CD2 4.26Å; H213-L241 WeakPolarHBondContact ND1-CD2 3.33Å; V239-L241 HydrophobicContact CG1-CD2 3.52Å; V239-L241 HydrophobicContact CG1-CG 3.99Å; L241-L267 HydrophobicContact CB-CD2 4.44Å; L241-L267 HydrophobicContact CD1-CD2 4.3Å; L241-L270 HydrophobicContact CD1-CD2 3.88Å; L241-L293 HydrophobicContact CD2-CD1 3.77Å; L241-L293 HydrophobicContact CD2-CD2 4.11Å
242A88Confident80Confident0 Ų047.7 Ų47.70%022%0.215CC..PPolyproline II helixtrans-64.6172.716800000112.9K94 S210 H213 I263K94-A242 VanDerWaalsContact CE-O 3.28Å; K94-A242 WeakPolarHBondContact CE-O 3.45Å; S210-A242 WeakPolarHBondContact O-CB 3.41Å; H213-A242 PolarHBondContact ND1-N 3.48Å; H213-A242 VanDerWaalsContact ND1-N 3.2Å; A242-I263 HydrophobicContact CB-CG2 3.54Å
243G84.2Confident79Confident1 Ų152.9 Ų52.91%0.0124%0.24CC..PPolyproline II helixtrans-67.6137.1177.300000114.7T90 S210 E245 L267T90-G243 WeakPolarHBondContact OG1-CA 3.5Å; S210-G243 PolarHBondContact O-N 2.99Å; G243-E245 WeakPolarHBondContact CA-OE2 3.47Å; G243-L267 WeakPolarHBondContact O-CD1 3.33Å
244S82.9Confident78.3Confident13 Ų1351 Ų519%0.09125%0.25CC..  trans-89.710.8176.870.10000114.8G88 Q89G88-S244 PolarHBondContact O-N 2.96Å; G88-S244 PolarHBondContact O-OG 3.3Å; Q89-S244 PolarHBondContact N-OG 3.49Å
245E71.7Confident76.9Confident24 Ų2456 Ų5611%0.11228%0.277CS..  trans-72.5142.4-174.661.5-78.5-175.100114.5Q89 T90 G243 T250 N264 E322Q89-E245 HydrophobicContact CG-CB 3.93Å; T90-E245 WeakPolarHBondContact CB-OE1 3.34Å; T90-E245 WeakPolarHBondContact CB-OE2 3.22Å; T90-E245 PolarHBondContact N-OE2 2.88Å; T90-E245 PolarHBondContact OG1-OE1 3.46Å; T90-E245 PolarHBondContact OG1-OE2 3.38Å; T90-E245 VanDerWaalsContact OG1-OE2 3.1Å; G243-E245 WeakPolarHBondContact CA-OE2 3.47Å; E245-T250 HydrophobicContact CG-CG2 3.95Å; E245-N264 PolarHBondContact O-ND2 2.91Å; E245-E322 WeakPolarHBondContact CA-OE1 3.36Å
246R65.1Low75.5Confident127 Ų12759.2 Ų59.248%0.47929%0.287SS..  trans-72130.3175-63168.6-178.3-167.6-2.1110.6K248 K249 E322 N325R246-K248 PolarHBondContact O-N 3.45Å; R246-K249 PolarHBondContact O-N 2.9Å; R246-E322 WeakPolarHBondContact CG-OE1 3.45Å; R246-E322 PolarHBondContact N-OE1 3.08Å; R246-E322 IonicContact NE-OE2 3.12Å; R246-N325 PolarHBondContact NH2-ND2 3.31Å; R246-N325 VanDerWaalsContact NH2-ND2 3.14Å; R246-N325 PolarHBondContact NH2-OD1 3.26Å
247Q57.7Low74.2Confident56 Ų5662.7 Ų62.726%0.26231%0.305SS..G310 helixtrans-52.7-22.7-177.4-60.7-170.2-62.300115.1K249 T250 L257Q247-K249 PolarHBondContact O-N 2.96Å; Q247-K249 VanDerWaalsContact O-N 3.14Å; Q247-T250 PolarHBondContact O-N 3.06Å; Q247-T250 PolarHBondContact O-OG1 3.43Å; Q247-T250 VanDerWaalsContact O-OG1 3.11Å; Q247-L257 PolarHBondContact NE2-O 2.92Å
248K59.4Low73Confident189 Ų18967.1 Ų67.182%0.82232%0.324SS*.G310 helixtrans-52.6-31.7173.2-68.3-172.2178.6-176.50113.3R246R246-K248 PolarHBondContact O-N 3.45Å
249K61.2Low71.7Confident73 Ų7367.9 Ų67.932%0.31733%0.328SS..G310 helixtrans-83.7-23.9177.8-71.9-166.9179.9-172.50114.1R246 Q247 S318 N319R246-K249 PolarHBondContact O-N 2.9Å; Q247-K249 PolarHBondContact O-N 2.96Å; Q247-K249 VanDerWaalsContact O-N 3.14Å; K249-S318 PolarHBondContact NZ-O 3.07Å; K249-N319 PolarHBondContact NZ-OD1 3.12Å
250T59Low70.5Confident51 Ų5168.6 Ų68.631%0.31334%0.335SS..THydrogen-bonded Turntrans-87.8-15.1-167.561.80000115E245 Q247 A252E245-T250 HydrophobicContact CG-CG2 3.95Å; Q247-T250 PolarHBondContact O-N 3.06Å; Q247-T250 PolarHBondContact O-OG1 3.43Å; Q247-T250 VanDerWaalsContact O-OG1 3.11Å; T250-A252 PolarHBondContact O-N 3.04Å; T250-A252 VanDerWaalsContact O-N 3.14Å
251K63.4Low69.5Low192 Ų19272.4 Ų72.484%0.83535%0.354SS*.  trans50.334.3-178.4-58-176.8-178.9178.50113.5
252A58.5Low68.6Low28 Ų2874.6 Ų74.623%0.23137%0.366CS..  trans-84.7135.1-178.200000111.7T250 R256T250-A252 PolarHBondContact O-N 3.04Å; T250-A252 VanDerWaalsContact O-N 3.14Å; A252-R256 HydrophobicContact CB-CB 4.12Å
253E64.4Low67.8Low166 Ų16675.4 Ų75.478%0.77637%0.37SS*.  trans-126.9165.3-179.4-63.5-178.8170.800110.6
254G73.8Confident67.4Low54 Ų5477.5 Ų77.556%0.55738%0.381SS*.THydrogen-bonded Turntrans62.9-143.7-178.200000113R256 L257G254-R256 PolarHBondContact O-N 3.41Å; G254-L257 VanDerWaalsContact O-CB 3.26Å; G254-L257 WeakPolarHBondContact O-CB 3.43Å; G254-L257 PolarHBondContact O-N 3.49Å
255D62.4Low67.4Low109 Ų10983 Ų8358%0.58340%0.4SS*.Hα-helixtrans-63.9-23.9-178.2-62-54.6000113.6L257 K258 E259D255-L257 PolarHBondContact O-N 2.97Å; D255-K258 WeakPolarHBondContact O-CB 2.89Å; D255-K258 PolarHBondContact O-N 2.75Å; D255-K258 VanDerWaalsContact O-N 3.11Å; D255-K258 WeakPolarHBondContact OD1-CD 3.46Å; D255-K258 WeakPolarHBondContact OD1-CE 3.39Å; D255-K258 IonicContact OD1-NZ 2.7Å; D255-K258 PolarHBondContact OD1-NZ 3.2Å; D255-E259 VanDerWaalsContact O-CB 3.28Å; D255-E259 WeakPolarHBondContact O-CB 3.17Å; D255-E259 PolarHBondContact O-N 2.93Å
256R64.3Low68.1Low122 Ų12281.8 Ų81.846%0.4639%0.394SS..Hα-helixtrans-63.2-24.3171.7-67.6179.1161.4-147.7-10.7112.6S202 A252 G254 G260S202-R256 PolarHBondContact O-NH1 3.13Å; S202-R256 PolarHBondContact O-NH2 2.92Å; A252-R256 HydrophobicContact CB-CB 4.12Å; G254-R256 PolarHBondContact O-N 3.41Å; R256-G260 PolarHBondContact O-N 2.93Å; R256-G260 VanDerWaalsContact O-N 3.17Å
257L68.6Low69.2Low72 Ų7276.1 Ų76.138%0.37737%0.373SS..Hα-helixtrans-74.4-44.9171.4-173.670.9000111.1Q247 G254 D255 G260 I261Q247-L257 PolarHBondContact NE2-O 2.92Å; G254-L257 VanDerWaalsContact O-CB 3.26Å; G254-L257 WeakPolarHBondContact O-CB 3.43Å; G254-L257 PolarHBondContact O-N 3.49Å; D255-L257 PolarHBondContact O-N 2.97Å; L257-G260 PolarHBondContact O-N 3.16Å; L257-I261 HydrophobicContact CG-CD1 4.5Å; L257-I261 WeakPolarHBondContact O-CG1 3.35Å; L257-I261 PolarHBondContact O-N 2.7Å
258K70.8Confident70.6Confident128 Ų12878.7 Ų78.756%0.55739%0.388SS*.Hα-helixtrans-60.9-47.3177-58176.3-170.51600111.1D255 G260 I261 N262D255-K258 WeakPolarHBondContact O-CB 2.89Å; D255-K258 PolarHBondContact O-N 2.75Å; D255-K258 VanDerWaalsContact O-N 3.11Å; D255-K258 WeakPolarHBondContact OD1-CD 3.46Å; D255-K258 WeakPolarHBondContact OD1-CE 3.39Å; D255-K258 IonicContact OD1-NZ 2.7Å; D255-K258 PolarHBondContact OD1-NZ 3.2Å; K258-G260 PolarHBondContact O-N 3.14Å; K258-I261 WeakPolarHBondContact O-CB 3.38Å; K258-I261 PolarHBondContact O-N 3.02Å; K258-I261 VanDerWaalsContact O-N 3.14Å; K258-N262 PolarHBondContact O-N 2.87Å; K258-N262 VanDerWaalsContact O-N 3.08Å
259E69.1Low72.1Confident17 Ų1770.1 Ų70.18%0.07935%0.352CS..Hα-helixtrans-53.5-51.6173.4-174.2-166.1160.800111.3Y144 R211 D255 I261 N262 I263Y144-E259 HydrophobicContact CE2-CG 3.94Å; Y144-E259 VanDerWaalsContact OH-CD 3.3Å; Y144-E259 PolarHBondContact OH-OE1 3.41Å; R211-E259 WeakPolarHBondContact CD-OE1 3.4Å; R211-E259 IonicContact CZ-OE1 2.69Å; R211-E259 IonicContact NE-OE1 3.28Å; R211-E259 IonicContact NH1-OE1 2.58Å; R211-E259 PolarHBondContact NH1-OE1 3.39Å; R211-E259 IonicContact NH1-OE2 3.48Å; R211-E259 PolarHBondContact NH1-OE2 3.04Å; D255-E259 VanDerWaalsContact O-CB 3.28Å; D255-E259 WeakPolarHBondContact O-CB 3.17Å; D255-E259 PolarHBondContact O-N 2.93Å; E259-I261 VanDerWaalsContact C-N 3.28Å; E259-I261 PolarHBondContact O-N 3.44Å; E259-N262 PolarHBondContact O-N 3.2Å; E259-N262 VanDerWaalsContact O-N 3.16Å; E259-I263 HydrophobicContact CG-CD1 4.06Å; E259-I263 WeakPolarHBondContact O-CD1 3.48Å; E259-I263 WeakPolarHBondContact O-CG1 3.43Å; E259-I263 PolarHBondContact O-N 2.86Å
260G70.2Confident73.6Confident14 Ų1466.7 Ų66.714%0.14434%0.337CS..Hα-helixtrans-64.4-25.5177.400000115R256 L257 K258 N264R256-G260 PolarHBondContact O-N 2.93Å; R256-G260 VanDerWaalsContact O-N 3.17Å; L257-G260 PolarHBondContact O-N 3.16Å; K258-G260 PolarHBondContact O-N 3.14Å; G260-N264 WeakPolarHBondContact O-CB 3.25Å; G260-N264 PolarHBondContact O-N 2.68Å; G260-N264 PolarHBondContact O-ND2 3.01Å
261I74.3Confident75.1Confident84 Ų8464.6 Ų64.643%0.43133%0.326SS..Hα-helixtrans-70.9-47171.6-70165.2000109.6L257 K258 E259 I263 N264 R265L257-I261 HydrophobicContact CG-CD1 4.5Å; L257-I261 WeakPolarHBondContact O-CG1 3.35Å; L257-I261 PolarHBondContact O-N 2.7Å; K258-I261 WeakPolarHBondContact O-CB 3.38Å; K258-I261 PolarHBondContact O-N 3.02Å; K258-I261 VanDerWaalsContact O-N 3.14Å; E259-I261 VanDerWaalsContact C-N 3.28Å; E259-I261 PolarHBondContact O-N 3.44Å; I261-I263 PolarHBondContact O-N 2.81Å; I261-N264 CarbonylContact O-C 3.58Å; I261-N264 PolarHBondContact O-N 2.65Å; I261-R265 PolarHBondContact O-N 3.41Å
262N72.6Confident76.4Confident47 Ų4758.9 Ų58.925%0.25130%0.304SS..Hα-helixtrans-69.9-33-177.1-71.5-25.9000113N145 K258 E259 R265 G266N145-N262 PolarHBondContact OD1-ND2 3.31Å; K258-N262 PolarHBondContact O-N 2.87Å; K258-N262 VanDerWaalsContact O-N 3.08Å; E259-N262 PolarHBondContact O-N 3.2Å; E259-N262 VanDerWaalsContact O-N 3.16Å; N262-R265 WeakPolarHBondContact O-CB 3.47Å; N262-R265 PolarHBondContact O-N 2.93Å; N262-G266 PolarHBondContact O-N 2.76Å
263I70.6Confident78.1Confident16 Ų1657.6 Ų57.68%0.08229%0.294CS..Hα-helixtrans-61-49.3168.5-66.5159.9000110.8R211 A242 E259 I261 R265 G266 L267R211-I263 HydrophobicContact CB-CD1 3.9Å; R211-I263 VanDerWaalsContact O-CD1 3.3Å; R211-I263 WeakPolarHBondContact O-CD1 3.49Å; R211-I263 WeakPolarHBondContact O-CG1 3.34Å; A242-I263 HydrophobicContact CB-CG2 3.54Å; E259-I263 HydrophobicContact CG-CD1 4.06Å; E259-I263 WeakPolarHBondContact O-CD1 3.48Å; E259-I263 WeakPolarHBondContact O-CG1 3.43Å; E259-I263 PolarHBondContact O-N 2.86Å; I261-I263 PolarHBondContact O-N 2.81Å; I263-R265 VanDerWaalsContact C-N 3.29Å; I263-R265 PolarHBondContact O-N 3.15Å; I263-G266 PolarHBondContact O-N 2.86Å; I263-L267 PolarHBondContact O-N 2.9Å
264N75.8Confident79.4Confident46 Ų4649.8 Ų49.825%0.24626%0.257CS..Hα-helixtrans-65.8-30.2178.7-87.9-75.6000112.7E245 G260 I261 L267 L268E245-N264 PolarHBondContact O-ND2 2.91Å; G260-N264 WeakPolarHBondContact O-CB 3.25Å; G260-N264 PolarHBondContact O-N 2.68Å; G260-N264 PolarHBondContact O-ND2 3.01Å; I261-N264 CarbonylContact O-C 3.58Å; I261-N264 PolarHBondContact O-N 2.65Å; N264-L267 PolarHBondContact O-N 2.77Å; N264-L268 VanDerWaalsContact O-CB 3.24Å; N264-L268 WeakPolarHBondContact O-CB 3.3Å; N264-L268 PolarHBondContact O-N 3.21Å
265R83.6Confident80.2Confident127 Ų12748.8 Ų48.848%0.47924%0.242SC..Hα-helixtrans-58.4-49.4173178.1-178.3168167.5-2.1111.4I261 N262 I263 L267 L268 C269 D290I261-R265 PolarHBondContact O-N 3.41Å; N262-R265 WeakPolarHBondContact O-CB 3.47Å; N262-R265 PolarHBondContact O-N 2.93Å; I263-R265 VanDerWaalsContact C-N 3.29Å; I263-R265 PolarHBondContact O-N 3.15Å; R265-L267 VanDerWaalsContact C-N 3.31Å; R265-L267 PolarHBondContact O-N 3.48Å; R265-L268 PolarHBondContact O-N 2.87Å; R265-C269 PolarHBondContact O-N 3.47Å; R265-C269 PolarHBondContact O-SG 2.9Å; R265-D290 PolarHBondContact NH2-O 2.66Å
266G84.9Confident81.5Confident0 Ų045.4 Ų45.40%023%0.229CC..Hα-helixtrans-56.5-44.3178.800000112.6N262 I263 L270N262-G266 PolarHBondContact O-N 2.76Å; I263-G266 PolarHBondContact O-N 2.86Å; G266-L270 WeakPolarHBondContact O-CB 3.26Å; G266-L270 PolarHBondContact O-N 2.92Å
267L87.8Confident82.7Confident7 Ų741.5 Ų41.54%0.03722%0.217CC..Hα-helixtrans-73.6-30.6178.2-66.1179.8000114.2Y87 L241 G243 I263 N264 R265 L270 G271 L293 Y329Y87-L267 HydrophobicContact CD2-CD2 4.38Å; Y87-L267 HydrophobicContact CE2-CD2 4.14Å; L241-L267 HydrophobicContact CB-CD2 4.44Å; L241-L267 HydrophobicContact CD1-CD2 4.3Å; G243-L267 WeakPolarHBondContact O-CD1 3.33Å; I263-L267 PolarHBondContact O-N 2.9Å; N264-L267 PolarHBondContact O-N 2.77Å; R265-L267 VanDerWaalsContact C-N 3.31Å; R265-L267 PolarHBondContact O-N 3.48Å; L267-L270 HydrophobicContact CD2-CD2 4.26Å; L267-G271 PolarHBondContact O-N 2.82Å; L267-L293 HydrophobicContact CD2-CD2 4.35Å; L267-Y329 PolarHBondContact O-OH 2.89Å
268L88.3Confident83.3Confident110 Ų11038.7 Ų38.758%0.57621%0.205SC*.Hα-helixtrans-67.3-47172.9-18063.5000110.7N264 R265 L270 G271 N272N264-L268 VanDerWaalsContact O-CB 3.24Å; N264-L268 WeakPolarHBondContact O-CB 3.3Å; N264-L268 PolarHBondContact O-N 3.21Å; R265-L268 PolarHBondContact O-N 2.87Å; L268-L270 VanDerWaalsContact C-N 3.31Å; L268-L270 PolarHBondContact O-N 3.43Å; L268-G271 CarbonylContact O-C 3.58Å; L268-G271 WeakPolarHBondContact O-CA 3.22Å; L268-G271 PolarHBondContact O-N 2.94Å; L268-N272 PolarHBondContact O-N 2.66Å; L268-N272 PolarHBondContact O-OD1 3.21Å
269C90.6Very high83.7Confident9 Ų937.1 Ų37.16%0.06120%0.203CC..Hα-helixtrans-59-43.1173.5-650000111.3R265 G271 N272 V273 D290 T294R265-C269 PolarHBondContact O-N 3.47Å; R265-C269 PolarHBondContact O-SG 2.9Å; C269-G271 VanDerWaalsContact C-N 3.27Å; C269-G271 PolarHBondContact O-N 3.44Å; C269-N272 WeakPolarHBondContact O-CB 3.06Å; C269-N272 PolarHBondContact O-N 3.01Å; C269-N272 VanDerWaalsContact O-N 3.16Å; C269-V273 PolarHBondContact O-N 3.42Å; C269-D290 HydrophobicContact CB-CB 4.07Å; C269-D290 WeakPolarHBondContact SG-CB 3.34Å; C269-T294 HydrophobicContact CB-CG2 4.06Å
270L92.1Very high83.2Confident1 Ų143.9 Ų43.91%0.00524%0.24CC..Hα-helixtrans-60.3-38.1173.3-169.668.9000111.8L241 G266 L267 L268 V273 I274 L293 T294 L297 L301 Y329L241-L270 HydrophobicContact CD1-CD2 3.88Å; G266-L270 WeakPolarHBondContact O-CB 3.26Å; G266-L270 PolarHBondContact O-N 2.92Å; L267-L270 HydrophobicContact CD2-CD2 4.26Å; L268-L270 VanDerWaalsContact C-N 3.31Å; L268-L270 PolarHBondContact O-N 3.43Å; L270-V273 PolarHBondContact O-N 2.94Å; L270-I274 HydrophobicContact CG-CD1 4.09Å; L270-I274 WeakPolarHBondContact O-CB 3.38Å; L270-I274 WeakPolarHBondContact O-CG1 3.39Å; L270-I274 PolarHBondContact O-N 2.98Å; L270-L293 HydrophobicContact CB-CD2 4.49Å; L270-L293 HydrophobicContact CD2-CD2 4.25Å; L270-T294 VanDerWaalsContact CA-CG2 3.46Å; L270-T294 HydrophobicContact CB-CG2 4.04Å; L270-T294 HydrophobicContact CD1-CG2 4.02Å; L270-L297 HydrophobicContact CD1-CD1 3.88Å; L270-L301 HydrophobicContact CD1-CD1 3.59Å; L270-Y329 VanDerWaalsContact C-OH 3.27Å; L270-Y329 WeakPolarHBondContact CB-OH 3.42Å; L270-Y329 WeakPolarHBondContact CG-OH 3.47Å
271G90.6Very high82.9Confident7 Ų751.1 Ų51.17%0.07227%0.267CS..Hα-helixtrans-66-37.8174.200000113.3L267 L268 C269 S275 Y329L267-G271 PolarHBondContact O-N 2.82Å; L268-G271 CarbonylContact O-C 3.58Å; L268-G271 WeakPolarHBondContact O-CA 3.22Å; L268-G271 PolarHBondContact O-N 2.94Å; C269-G271 VanDerWaalsContact C-N 3.27Å; C269-G271 PolarHBondContact O-N 3.44Å; G271-S275 WeakPolarHBondContact O-CB 3.41Å; G271-S275 PolarHBondContact O-N 3.37Å; G271-S275 PolarHBondContact O-OG 2.98Å; G271-Y329 VanDerWaalsContact CA-CE2 3.45Å; G271-Y329 WeakPolarHBondContact CA-OH 3.2Å; G271-Y329 PolarHBondContact N-OH 3.32Å
272N91.5Very high82Confident72 Ų7256.2 Ų56.239%0.38529%0.286SS..Hα-helixtrans-66.7-44.5175.3-65.6-10.7000111L268 C269 S275 A276 P287L268-N272 PolarHBondContact O-N 2.66Å; L268-N272 PolarHBondContact O-OD1 3.21Å; C269-N272 WeakPolarHBondContact O-CB 3.06Å; C269-N272 PolarHBondContact O-N 3.01Å; C269-N272 VanDerWaalsContact O-N 3.16Å; N272-S275 PolarHBondContact O-N 2.98Å; N272-A276 WeakPolarHBondContact O-CB 3.43Å; N272-A276 PolarHBondContact O-N 3.4Å; N272-P287 HydrophobicContact CB-CG 4.04Å
273V93.4Very high81.4Confident1 Ų157.9 Ų57.91%0.00632%0.315CS..Hα-helixtrans-59.1-48.3173.8166.40000111.5C269 L270 S275 A276 L277 V286 P287 Y288 T294 L301C269-V273 PolarHBondContact O-N 3.42Å; L270-V273 PolarHBondContact O-N 2.94Å; V273-S275 VanDerWaalsContact C-N 3.28Å; V273-S275 PolarHBondContact O-N 3.42Å; V273-A276 PolarHBondContact O-N 3.44Å; V273-L277 HydrophobicContact CG1-CD1 3.72Å; V273-L277 WeakPolarHBondContact O-CB 3.2Å; V273-L277 WeakPolarHBondContact O-CG 3.34Å; V273-L277 PolarHBondContact O-N 2.94Å; V273-V286 HydrophobicContact CB-CG1 4.27Å; V273-V286 HydrophobicContact CG1-CG1 3.89Å; V273-V286 HydrophobicContact CG2-CG1 4.12Å; V273-P287 HydrophobicContact CG2-CG 4.18Å; V273-Y288 HydrophobicContact CG1-CD1 3.86Å; V273-Y288 HydrophobicContact CG1-CE1 3.6Å; V273-Y288 HydrophobicContact CG2-CD1 4.1Å; V273-T294 HydrophobicContact CB-CG2 4.35Å; V273-T294 HydrophobicContact CG2-CG2 3.8Å; V273-L301 HydrophobicContact CG1-CD1 4.46Å
274I92.1Very high81.5Confident2 Ų259.7 Ų59.71%0.0134%0.338CS..Hα-helixtrans-65.3-31.6178.5-73.5169.1000112.1L270 G278 L301 Y329 R332 A333 I336L270-I274 HydrophobicContact CG-CD1 4.09Å; L270-I274 WeakPolarHBondContact O-CB 3.38Å; L270-I274 WeakPolarHBondContact O-CG1 3.39Å; L270-I274 PolarHBondContact O-N 2.98Å; I274-G278 PolarHBondContact O-N 3.31Å; I274-G278 VanDerWaalsContact O-N 3.09Å; I274-L301 HydrophobicContact CD1-CD1 4.21Å; I274-L301 HydrophobicContact CG1-CD1 4.01Å; I274-Y329 HydrophobicContact CD1-CD1 4.1Å; I274-Y329 HydrophobicContact CD1-CE1 3.33Å; I274-R332 HydrophobicContact CG2-CB 4.05Å; I274-A333 HydrophobicContact CG2-CB 4.29Å; I274-I336 HydrophobicContact CB-CD1 4.15Å; I274-I336 HydrophobicContact CG1-CD1 3.79Å; I274-I336 HydrophobicContact CG2-CD1 4.14Å
275S90.3Very high82Confident33 Ų3365.7 Ų65.723%0.23136%0.362CS..Hα-helixtrans-69.7-49.9173.6-52.40000111.1G271 N272 V273 L277 G278 D279 R332G271-S275 WeakPolarHBondContact O-CB 3.41Å; G271-S275 PolarHBondContact O-N 3.37Å; G271-S275 PolarHBondContact O-OG 2.98Å; N272-S275 PolarHBondContact O-N 2.98Å; V273-S275 VanDerWaalsContact C-N 3.28Å; V273-S275 PolarHBondContact O-N 3.42Å; S275-L277 PolarHBondContact O-N 3.4Å; S275-G278 PolarHBondContact O-N 2.97Å; S275-D279 PolarHBondContact O-N 2.96Å; S275-D279 VanDerWaalsContact O-N 3.15Å; S275-R332 PolarHBondContact OG-NH1 3.2Å
276A90.8Very high82.3Confident38 Ų3860.8 Ų60.831%0.31435%0.346SS..Hα-helixtrans-64.7-25.5-179.500000113.8N272 V273 V286N272-A276 WeakPolarHBondContact O-CB 3.43Å; N272-A276 PolarHBondContact O-N 3.4Å; V273-A276 PolarHBondContact O-N 3.44Å; A276-V286 HydrophobicContact CB-CG1 4.42Å; A276-V286 HydrophobicContact CB-CG2 4.21Å
277L88.8Confident82.7Confident40 Ų4061.6 Ų61.621%0.20935%0.351CS..Hα-helixtrans-90.8-13.8173.9-70170.4000114.2V273 S275 V286 Y288 L301 I336V273-L277 HydrophobicContact CG1-CD1 3.72Å; V273-L277 WeakPolarHBondContact O-CB 3.2Å; V273-L277 WeakPolarHBondContact O-CG 3.34Å; V273-L277 PolarHBondContact O-N 2.94Å; S275-L277 PolarHBondContact O-N 3.4Å; L277-V286 HydrophobicContact CD1-CG1 4.29Å; L277-V286 HydrophobicContact CD2-CG1 4.3Å; L277-V286 HydrophobicContact CD2-CG2 3.84Å; L277-V286 HydrophobicContact CG-CG1 3.95Å; L277-V286 HydrophobicContact CG-CG2 4.17Å; L277-Y288 HydrophobicContact CD1-CE1 4.34Å; L277-L301 HydrophobicContact CD1-CB 3.91Å; L277-L301 WeakPolarHBondContact CD1-O 3.46Å; L277-I336 HydrophobicContact CB-CB 4.38Å; L277-I336 HydrophobicContact CB-CD1 3.98Å; L277-I336 HydrophobicContact CB-CG1 3.72Å; L277-I336 HydrophobicContact CB-CG2 4.06Å; L277-I336 HydrophobicContact CD1-CD1 4.21Å; L277-I336 HydrophobicContact CD1-CG2 4.1Å
278G82.3Confident82.9Confident13 Ų1362.9 Ų62.913%0.13436%0.356CS..Hα-helixtrans-97.6-15.4-178.900000114.4I274 S275I274-G278 PolarHBondContact O-N 3.31Å; I274-G278 VanDerWaalsContact O-N 3.09Å; S275-G278 PolarHBondContact O-N 2.97Å
279D78.6Confident83Confident96 Ų9665.8 Ų65.851%0.51336%0.359SS..SBendtrans-84.5128171-82.911.1000110.3S275 K281S275-D279 PolarHBondContact O-N 2.96Å; S275-D279 VanDerWaalsContact O-N 3.15Å; D279-K281 PolarHBondContact O-N 3.06Å
280D58.3Low83Confident159 Ų15968.5 Ų68.585%0.8537%0.373SS*.  trans-67.212.2-179.2-73.7-62.7000115.5K282D280-K282 VanDerWaalsContact C-N 3.31Å; D280-K282 PolarHBondContact O-N 3.24Å
281K62.8Low83Confident165 Ų16568.6 Ų68.672%0.71737%0.373SS*.  trans-75.377.8179.4-67.1178.6-177.7165.40111.4D279 G283 G284D279-K281 PolarHBondContact O-N 3.06Å; K281-G283 PolarHBondContact O-N 3.44Å; K281-G284 PolarHBondContact O-N 2.9Å
282K56.3Low83Confident191 Ų19171.5 Ų71.583%0.8338%0.384SS*.THydrogen-bonded Turntrans-44.6109.3174.2-65.7169-173.61600111.3D280D280-K282 VanDerWaalsContact C-N 3.31Å; D280-K282 PolarHBondContact O-N 3.24Å
283G59.5Low83.1Confident83 Ų8368 Ų6886%0.85637%0.366SS*.THydrogen-bonded Turntrans115.2-0.3175.900000116.4K281K281-G283 PolarHBondContact O-N 3.44Å
284G72.9Confident83.1Confident54 Ų5468 Ų6856%0.55737%0.366SS*.  trans-61.2144.7172.900000113.8K281K281-G284 PolarHBondContact O-N 2.9Å
285F86.8Confident83.1Confident171 Ų17170.4 Ų70.475%0.7538%0.375SS*.  trans-73130170.1172.9-98.8000110.3P287F285-P287 HydrophobicContact CE1-CB 4.06Å
286V90.9Very high83.2Confident24 Ų2469.9 Ų69.915%0.14537%0.369CS..  trans-104.2119.2179.9-175.90000109.5V273 A276 L277 Y288V273-V286 HydrophobicContact CB-CG1 4.27Å; V273-V286 HydrophobicContact CG1-CG1 3.89Å; V273-V286 HydrophobicContact CG2-CG1 4.12Å; A276-V286 HydrophobicContact CB-CG1 4.42Å; A276-V286 HydrophobicContact CB-CG2 4.21Å; L277-V286 HydrophobicContact CD1-CG1 4.29Å; L277-V286 HydrophobicContact CD2-CG1 4.3Å; L277-V286 HydrophobicContact CD2-CG2 3.84Å; L277-V286 HydrophobicContact CG-CG1 3.95Å; L277-V286 HydrophobicContact CG-CG2 4.17Å; V286-Y288 VanDerWaalsContact C-N 3.26Å; V286-Y288 HydrophobicContact CB-CD2 4.08Å; V286-Y288 HydrophobicContact CB-CE2 3.6Å; V286-Y288 HydrophobicContact CG1-CD1 4.24Å; V286-Y288 HydrophobicContact CG1-CD2 3.93Å; V286-Y288 HydrophobicContact CG1-CE1 3.81Å; V286-Y288 HydrophobicContact CG1-CE2 3.48Å; V286-Y288 VanDerWaalsContact CG1-CE2 3.48Å; V286-Y288 HydrophobicContact CG1-CG 4.29Å; V286-Y288 VanDerWaalsContact CG1-CZ 3.41Å; V286-Y288 WeakPolarHBondContact O-CD2 3.44Å; V286-Y288 PolarHBondContact O-N 2.98Å
287P91.9Very high83.3Confident17 Ų1768.2 Ų68.211%0.1136%0.355CS..  trans-82.957-167.334.4-38000113.4N272 V273 F285 R289 D290N272-P287 HydrophobicContact CB-CG 4.04Å; V273-P287 HydrophobicContact CG2-CG 4.18Å; F285-P287 HydrophobicContact CE1-CB 4.06Å; P287-R289 PolarHBondContact O-N 3.26Å; P287-R289 VanDerWaalsContact O-N 3.16Å; P287-D290 PolarHBondContact O-N 2.96Å
288Y91.8Very high83.5Confident35 Ų3569 Ų6914%0.13736%0.357CS..G310 helixtrans-60.7-26.2179.7-60.5-75.2000113.3V273 L277 V286 T294 R295 Q298 L301V273-Y288 HydrophobicContact CG1-CD1 3.86Å; V273-Y288 HydrophobicContact CG1-CE1 3.6Å; V273-Y288 HydrophobicContact CG2-CD1 4.1Å; L277-Y288 HydrophobicContact CD1-CE1 4.34Å; V286-Y288 VanDerWaalsContact C-N 3.26Å; V286-Y288 HydrophobicContact CB-CD2 4.08Å; V286-Y288 HydrophobicContact CB-CE2 3.6Å; V286-Y288 HydrophobicContact CG1-CD1 4.24Å; V286-Y288 HydrophobicContact CG1-CD2 3.93Å; V286-Y288 HydrophobicContact CG1-CE1 3.81Å; V286-Y288 HydrophobicContact CG1-CE2 3.48Å; V286-Y288 VanDerWaalsContact CG1-CE2 3.48Å; V286-Y288 HydrophobicContact CG1-CG 4.29Å; V286-Y288 VanDerWaalsContact CG1-CZ 3.41Å; V286-Y288 WeakPolarHBondContact O-CD2 3.44Å; V286-Y288 PolarHBondContact O-N 2.98Å; Y288-T294 CarbonylContact O-C 3.59Å; Y288-T294 VanDerWaalsContact O-C 3.27Å; Y288-T294 VanDerWaalsContact O-CB 3.23Å; Y288-T294 WeakPolarHBondContact O-CB 3.28Å; Y288-T294 PolarHBondContact O-OG1 3.35Å; Y288-R295 WeakPolarHBondContact O-CG 3.3Å; Y288-R295 PolarHBondContact O-N 3.06Å; Y288-R295 VanDerWaalsContact O-N 3.08Å; Y288-Q298 HydrophobicContact CD1-CB 3.7Å; Y288-Q298 HydrophobicContact CD1-CG 3.77Å; Y288-Q298 HydrophobicContact CD2-CG 3.85Å; Y288-Q298 HydrophobicContact CE1-CB 4.08Å; Y288-Q298 HydrophobicContact CE1-CG 3.91Å; Y288-Q298 HydrophobicContact CE2-CG 3.97Å; Y288-Q298 HydrophobicContact CG-CB 3.98Å; Y288-Q298 HydrophobicContact CG-CG 3.74Å; Y288-L301 PolarHBondContact OH-O 3.36Å
289R90.9Very high83.8Confident170 Ų17070.5 Ų70.564%0.64236%0.362SS*.G310 helixtrans-81-9.6-172.7-72.4-175.9173170.50.5115.3E165 P287 S291 R295E165-R289 IonicContact OE1-NE 2.63Å; E165-R289 IonicContact OE1-NH2 3.39Å; E165-R289 IonicContact OE2-CZ 3.72Å; E165-R289 IonicContact OE2-NE 3.64Å; E165-R289 PolarHBondContact OE2-NE 3.01Å; E165-R289 IonicContact OE2-NH2 2.71Å; E165-R289 PolarHBondContact OE2-NH2 3.4Å; P287-R289 PolarHBondContact O-N 3.26Å; P287-R289 VanDerWaalsContact O-N 3.16Å; R289-S291 VanDerWaalsContact C-N 3.29Å; R289-S291 PolarHBondContact O-N 3.03Å; R289-R295 HydrophobicContact CG-CG 4.34Å
290D90.1Very high84.5Confident67 Ų6766 Ų6636%0.35834%0.338SS..G310 helixtrans-69.3-23.5-172.4-65.716.1000114.3R265 C269 P287R265-D290 PolarHBondContact NH2-O 2.66Å; C269-D290 HydrophobicContact CB-CB 4.07Å; C269-D290 WeakPolarHBondContact SG-CB 3.34Å; P287-D290 PolarHBondContact O-N 2.96Å
291S92.4Very high86.2Confident2 Ų258.5 Ų58.51%0.01430%0.298CS..SBendtrans-139.4155.2173.275.20000111.3E146 R289 L293 T294 R295E146-S291 WeakPolarHBondContact OE2-CA 3.28Å; R289-S291 VanDerWaalsContact C-N 3.29Å; R289-S291 PolarHBondContact O-N 3.03Å; S291-L293 VanDerWaalsContact C-N 3.26Å; S291-L293 PolarHBondContact O-N 3.35Å; S291-T294 PolarHBondContact N-OG1 2.99Å; S291-T294 PolarHBondContact O-N 2.86Å; S291-T294 PolarHBondContact O-OG1 3.33Å; S291-T294 PolarHBondContact OG-N 3.2Å; S291-T294 VanDerWaalsContact OG-N 3.08Å; S291-T294 PolarHBondContact OG-OG1 3.04Å; S291-R295 PolarHBondContact O-N 3.21Å
292K91.4Very high87.4Confident68 Ų6851.8 Ų51.830%0.29628%0.276SS..Hα-helixtrans-64.8-33.2173.5-68.1-174.6-169.8165.40111.7I143 E146 I148 I163 R295 L296I143-K292 HydrophobicContact CG2-CB 4.47Å; E146-K292 WeakPolarHBondContact O-CD 3.5Å; E146-K292 WeakPolarHBondContact O-CE 3.28Å; E146-K292 PolarHBondContact O-NZ 3.4Å; E146-K292 PolarHBondContact OE2-N 3.5Å; I148-K292 HydrophobicContact CD1-CB 4.47Å; I148-K292 HydrophobicContact CD1-CD 3.98Å; I148-K292 HydrophobicContact CG1-CD 3.93Å; I163-K292 HydrophobicContact CD1-CB 3.97Å; I163-K292 HydrophobicContact CD1-CG 4.13Å; K292-R295 PolarHBondContact O-N 2.91Å; K292-L296 WeakPolarHBondContact O-CG 3.35Å; K292-L296 PolarHBondContact O-N 2.92Å; K292-L296 VanDerWaalsContact O-N 3.07Å
293L92.7Very high88.9Confident0 Ų043.4 Ų43.40%024%0.244CC..Hα-helixtrans-58.2-49.9174.817965.3000112I143 H213 L241 L267 L270 S291 R295 L296 L297I143-L293 HydrophobicContact CD1-CB 3.93Å; I143-L293 HydrophobicContact CD1-CD1 3.93Å; H213-L293 HydrophobicContact CB-CD1 4.04Å; L241-L293 HydrophobicContact CD2-CD1 3.77Å; L241-L293 HydrophobicContact CD2-CD2 4.11Å; L267-L293 HydrophobicContact CD2-CD2 4.35Å; L270-L293 HydrophobicContact CB-CD2 4.49Å; L270-L293 HydrophobicContact CD2-CD2 4.25Å; S291-L293 VanDerWaalsContact C-N 3.26Å; S291-L293 PolarHBondContact O-N 3.35Å; L293-R295 VanDerWaalsContact C-N 3.32Å; L293-R295 PolarHBondContact O-N 3.32Å; L293-L296 PolarHBondContact O-N 3.06Å; L293-L297 HydrophobicContact CD1-CD1 3.76Å; L293-L297 HydrophobicContact CD1-CG 4.25Å; L293-L297 HydrophobicContact CG-CD1 4.1Å; L293-L297 WeakPolarHBondContact O-CG 3.48Å; L293-L297 PolarHBondContact O-N 3.1Å
294T93.4Very high90.5Very high1 Ų141 Ų411%0.00621%0.211CC..Hα-helixtrans-69.1-28.2-179.344.60000113.5C269 L270 V273 Y288 S291 Q298C269-T294 HydrophobicContact CB-CG2 4.06Å; L270-T294 VanDerWaalsContact CA-CG2 3.46Å; L270-T294 HydrophobicContact CB-CG2 4.04Å; L270-T294 HydrophobicContact CD1-CG2 4.02Å; V273-T294 HydrophobicContact CB-CG2 4.35Å; V273-T294 HydrophobicContact CG2-CG2 3.8Å; Y288-T294 CarbonylContact O-C 3.59Å; Y288-T294 VanDerWaalsContact O-C 3.27Å; Y288-T294 VanDerWaalsContact O-CB 3.23Å; Y288-T294 WeakPolarHBondContact O-CB 3.28Å; Y288-T294 PolarHBondContact O-OG1 3.35Å; S291-T294 PolarHBondContact N-OG1 2.99Å; S291-T294 PolarHBondContact O-N 2.86Å; S291-T294 PolarHBondContact O-OG1 3.33Å; S291-T294 PolarHBondContact OG-N 3.2Å; S291-T294 VanDerWaalsContact OG-N 3.08Å; S291-T294 PolarHBondContact OG-OG1 3.04Å; T294-Q298 PolarHBondContact O-N 3.35Å; T294-Q298 VanDerWaalsContact O-N 3.15Å
295R92.5Very high91.4Very high52 Ų5238.4 Ų38.420%0.19619%0.185CC..Hα-helixtrans-67.7-44170.9-67-178.972.8-154.3-4.8111.6I163 E165 I171 Y288 R289 S291 K292 L293 L297 Q298I163-R295 HydrophobicContact CD1-CB 3.93Å; I163-R295 HydrophobicContact CG2-CB 4.49Å; I163-R295 PolarHBondContact O-NH2 3.41Å; I163-R295 VanDerWaalsContact O-NH2 3.14Å; E165-R295 IonicContact OE1-CZ 2.62Å; E165-R295 VanDerWaalsContact OE1-CZ 3.28Å; E165-R295 IonicContact OE1-NE 3.58Å; E165-R295 PolarHBondContact OE1-NE 2.96Å; E165-R295 VanDerWaalsContact OE1-NE 3.08Å; E165-R295 IonicContact OE1-NH2 2.68Å; E165-R295 PolarHBondContact OE1-NH2 2.94Å; I171-R295 WeakPolarHBondContact CD1-O 3.3Å; Y288-R295 WeakPolarHBondContact O-CG 3.3Å; Y288-R295 PolarHBondContact O-N 3.06Å; Y288-R295 VanDerWaalsContact O-N 3.08Å; R289-R295 HydrophobicContact CG-CG 4.34Å; S291-R295 PolarHBondContact O-N 3.21Å; K292-R295 PolarHBondContact O-N 2.91Å; L293-R295 VanDerWaalsContact C-N 3.32Å; L293-R295 PolarHBondContact O-N 3.32Å; R295-L297 VanDerWaalsContact C-N 3.33Å; R295-Q298 WeakPolarHBondContact O-CB 3.43Å; R295-Q298 PolarHBondContact O-N 2.93Å
296L92Very high91.8Very high21 Ų2132.6 Ų32.611%0.1116%0.16CC..Hα-helixtrans-70-29.2178.1-64.5-171.3000113L141 I143 I148 I163 I171 I173 I215 K292 L293L141-L296 HydrophobicContact CD1-CD1 4.22Å; L141-L296 HydrophobicContact CD2-CD1 4.18Å; I143-L296 HydrophobicContact CD1-CD1 4.1Å; I148-L296 HydrophobicContact CD1-CD1 4.4Å; I163-L296 HydrophobicContact CD1-CD2 3.75Å; I163-L296 HydrophobicContact CD1-CG 3.94Å; I163-L296 HydrophobicContact CG1-CD2 4.03Å; I163-L296 HydrophobicContact CG2-CD2 4.36Å; I171-L296 HydrophobicContact CG2-CD2 3.93Å; I173-L296 HydrophobicContact CD1-CD1 4.05Å; I173-L296 HydrophobicContact CD1-CD2 3.64Å; I173-L296 HydrophobicContact CG1-CD2 3.78Å; I215-L296 HydrophobicContact CD1-CB 4.25Å; I215-L296 HydrophobicContact CD1-CD1 4.09Å; K292-L296 WeakPolarHBondContact O-CG 3.35Å; K292-L296 PolarHBondContact O-N 2.92Å; K292-L296 VanDerWaalsContact O-N 3.07Å; L293-L296 PolarHBondContact O-N 3.06Å
297L93.2Very high92.1Very high4 Ų431.9 Ų31.92%0.02116%0.155CC..THydrogen-bonded Turntrans-91.44.3177.3-63.3-179000114.5V239 L270 L293 R295 D299 S300 L301V239-L297 HydrophobicContact CG2-CD2 4.14Å; L270-L297 HydrophobicContact CD1-CD1 3.88Å; L293-L297 HydrophobicContact CD1-CD1 3.76Å; L293-L297 HydrophobicContact CD1-CG 4.25Å; L293-L297 HydrophobicContact CG-CD1 4.1Å; L293-L297 WeakPolarHBondContact O-CG 3.48Å; L293-L297 PolarHBondContact O-N 3.1Å; R295-L297 VanDerWaalsContact C-N 3.33Å; L297-D299 PolarHBondContact O-N 3.13Å; L297-S300 CarbonylContact O-C 3.55Å; L297-S300 WeakPolarHBondContact O-CA 3.3Å; L297-S300 VanDerWaalsContact O-CB 3.28Å; L297-S300 WeakPolarHBondContact O-CB 3.45Å; L297-S300 PolarHBondContact O-N 2.88Å; L297-L301 PolarHBondContact O-N 2.99Å
298Q92.1Very high92.4Very high55 Ų5531.2 Ų31.226%0.25715%0.151SC..THydrogen-bonded Turntrans-59.6-40.2-178.7176175.2-30.900113.1I171 Y288 T294 R295 S300I171-Q298 HydrophobicContact CD1-CB 3.85Å; I171-Q298 HydrophobicContact CD1-CG 4.2Å; Y288-Q298 HydrophobicContact CD1-CB 3.7Å; Y288-Q298 HydrophobicContact CD1-CG 3.77Å; Y288-Q298 HydrophobicContact CD2-CG 3.85Å; Y288-Q298 HydrophobicContact CE1-CB 4.08Å; Y288-Q298 HydrophobicContact CE1-CG 3.91Å; Y288-Q298 HydrophobicContact CE2-CG 3.97Å; Y288-Q298 HydrophobicContact CG-CB 3.98Å; Y288-Q298 HydrophobicContact CG-CG 3.74Å; T294-Q298 PolarHBondContact O-N 3.35Å; T294-Q298 VanDerWaalsContact O-N 3.15Å; R295-Q298 WeakPolarHBondContact O-CB 3.43Å; R295-Q298 PolarHBondContact O-N 2.93Å; Q298-S300 PolarHBondContact O-N 2.85Å
299D89.8Confident92.7Very high45 Ų4529.8 Ų29.824%0.24115%0.145CC..THydrogen-bonded Turntrans-70.9-19.6173.9-73.3-42.1000112.6L297 G303 N304 S305L297-D299 PolarHBondContact O-N 3.13Å; D299-G303 CarbonylContact O-C 3.58Å; D299-G303 VanDerWaalsContact O-C 3.24Å; D299-G303 WeakPolarHBondContact O-CA 3.31Å; D299-N304 CarbonylContact O-C 3.59Å; D299-N304 PolarHBondContact O-N 3.04Å; D299-N304 VanDerWaalsContact O-N 3.16Å; D299-S305 WeakPolarHBondContact O-CB 3.45Å; D299-S305 PolarHBondContact O-N 3.19Å
300S93.4Very high93Very high1 Ų121.7 Ų21.71%0.00712%0.115CC..THydrogen-bonded Turntrans-86.9-24.6-179.1-55.60000113.8T83 L297 Q298 T307 N338T83-S300 WeakPolarHBondContact CG2-OG 3.49Å; T83-S300 WeakPolarHBondContact OG1-CB 3.49Å; T83-S300 PolarHBondContact OG1-OG 3.07Å; L297-S300 CarbonylContact O-C 3.55Å; L297-S300 WeakPolarHBondContact O-CA 3.3Å; L297-S300 VanDerWaalsContact O-CB 3.28Å; L297-S300 WeakPolarHBondContact O-CB 3.45Å; L297-S300 PolarHBondContact O-N 2.88Å; Q298-S300 PolarHBondContact O-N 2.85Å; S300-T307 WeakPolarHBondContact O-CB 3.2Å; S300-T307 PolarHBondContact O-OG1 2.68Å; S300-N338 PolarHBondContact O-ND2 3.41Å
301L92.7Very high93.4Very high3 Ų318.5 Ų18.52%0.01610%0.098CC..SBendtrans-126.7105.6-176.2-62175.1000108.9V10 L270 V273 I274 L277 Y288 L297 G303 I336V10-L301 HydrophobicContact CG2-CD2 4.4Å; L270-L301 HydrophobicContact CD1-CD1 3.59Å; V273-L301 HydrophobicContact CG1-CD1 4.46Å; I274-L301 HydrophobicContact CD1-CD1 4.21Å; I274-L301 HydrophobicContact CG1-CD1 4.01Å; L277-L301 HydrophobicContact CD1-CB 3.91Å; L277-L301 WeakPolarHBondContact CD1-O 3.46Å; Y288-L301 PolarHBondContact OH-O 3.36Å; L297-L301 PolarHBondContact O-N 2.99Å; L301-G303 PolarHBondContact O-N 2.92Å; L301-I336 HydrophobicContact CD2-CD1 4.19Å
302G87.9Confident93.6Very high23 Ų2318.4 Ų18.424%0.23710%0.097CC..SBendtrans81.4-7.8-173.700000115.1N338G302-N338 WeakPolarHBondContact CA-OD1 3.45Å; G302-N338 PolarHBondContact N-OD1 2.92Å
303G89.8Confident93.8Very high16 Ų1615.2 Ų15.217%0.1658%0.084CC..SBendtrans-104.5-154.5-173.200000116.2D299 L301 S305 K339D299-G303 CarbonylContact O-C 3.58Å; D299-G303 VanDerWaalsContact O-C 3.24Å; D299-G303 WeakPolarHBondContact O-CA 3.31Å; L301-G303 PolarHBondContact O-N 2.92Å; G303-S305 PolarHBondContact O-N 2.94Å; G303-K339 PolarHBondContact O-N 2.91Å
304N91.3Very high93.9Very high31 Ų3115.3 Ų15.317%0.1668%0.084CC..SBendtrans-89.671.6-178.4175.723000112.1N81 D299 I341 N343N81-N304 WeakPolarHBondContact CB-O 3.31Å; N81-N304 PolarHBondContact ND2-ND2 2.88Å; N81-N304 PolarHBondContact ND2-O 3.27Å; D299-N304 CarbonylContact O-C 3.59Å; D299-N304 PolarHBondContact O-N 3.04Å; D299-N304 VanDerWaalsContact O-N 3.16Å; N304-I341 WeakPolarHBondContact ND2-CG1 3.26Å; N304-I341 VanDerWaalsContact OD1-CG1 3.31Å; N304-I341 WeakPolarHBondContact OD1-CG1 3.34Å; N304-I341 PolarHBondContact OD1-N 3.34Å; N304-N343 PolarHBondContact ND2-OD1 2.91Å
305S93.2Very high93.9Very high1 Ų115.2 Ų15.21%0.0078%0.084CC..SBendtrans-156.8148.5171.4-170.10000111.2A82 T83 D299 G303 N338A82-S305 VanDerWaalsContact C-OG 3.29Å; A82-S305 WeakPolarHBondContact CA-OG 3.42Å; A82-S305 PolarHBondContact N-OG 2.82Å; T83-S305 PolarHBondContact N-OG 3.17Å; T83-S305 PolarHBondContact OG1-OG 3.49Å; T83-S305 VanDerWaalsContact OG1-OG 3.1Å; D299-S305 WeakPolarHBondContact O-CB 3.45Å; D299-S305 PolarHBondContact O-N 3.19Å; G303-S305 PolarHBondContact O-N 2.94Å; S305-N338 WeakPolarHBondContact O-CB 3.35Å; S305-N338 PolarHBondContact O-ND2 3.24Å
306H95.5Very high94Very high49 Ų4912.8 Ų12.823%0.2277%0.074CC..EExtended strand (participates in β ladder)trans-83.2120.2158.9-78.1-77.4000108.9L72 Y80 N81 A82 T83L72-H306 HydrophobicContact CD1-CB 3.36Å; L72-H306 WeakPolarHBondContact CD1-O 3.45Å; Y80-H306 AromaticContact CG-CD2 3.88Å; N81-H306 PolarHBondContact O-N 3.2Å; A82-H306 CarbonylContact C-O 3.57Å; A82-H306 VanDerWaalsContact CA-O 3.26Å; A82-H306 WeakPolarHBondContact CA-O 3.46Å; T83-H306 PolarHBondContact N-O 3.06Å
307T96.9Very high93.9Very high8 Ų814.8 Ų14.85%0.0499%0.085CC..EExtended strand (participates in β ladder)trans-120.3133.8-171-59.10000112.1V10 R11 T83 L85 S300 N338V10-T307 HydrophobicContact CG1-CG2 3.98Å; R11-T307 PolarHBondContact N-O 3.09Å; T83-T307 HydrophobicContact CG2-CG2 4.34Å; T83-T307 CarbonylContact O-C 3.56Å; T83-T307 WeakPolarHBondContact O-CA 3.41Å; L85-T307 HydrophobicContact CD2-CG2 3.39Å; S300-T307 WeakPolarHBondContact O-CB 3.2Å; S300-T307 PolarHBondContact O-OG1 2.68Å; T307-N338 PolarHBondContact OG1-ND2 2.88Å
308L97.9Very high93.7Very high4 Ų417 Ų172%0.02110%0.101CC..EExtended strand (participates in β ladder)trans-116.8122.2171.5174.767.4000109.5R11 A13 A68 V69 L72 T83 V84 L85 I310R11-L308 HydrophobicContact CB-CD1 3.99Å; R11-L308 CarbonylContact O-C 3.6Å; R11-L308 WeakPolarHBondContact O-CA 3.37Å; A13-L308 HydrophobicContact CB-CD1 4.19Å; A68-L308 HydrophobicContact CB-CD1 4.46Å; A68-L308 HydrophobicContact CB-CD2 3.92Å; V69-L308 HydrophobicContact CG2-CD2 3.82Å; L72-L308 HydrophobicContact CD2-CB 3.98Å; T83-L308 PolarHBondContact O-N 2.98Å; V84-L308 WeakPolarHBondContact CA-O 3.41Å; V84-L308 HydrophobicContact CG1-CD2 4.46Å; L85-L308 PolarHBondContact N-O 2.9Å; L308-I310 HydrophobicContact CD2-CG1 4.4Å; L308-I310 HydrophobicContact CG-CG1 4.36Å
309M97.4Very high93.6Very high4 Ų414.8 Ų14.82%0.029%0.091CC..EExtended strand (participates in β ladder)trans-98124.6170.6-179.4-173.5171.800109.7R11 V12 A13 L85 Y87 A311 Y329 A330 A333R11-M309 PolarHBondContact O-N 3.24Å; V12-M309 WeakPolarHBondContact CA-O 3.18Å; V12-M309 HydrophobicContact CG2-CB 4.4Å; A13-M309 PolarHBondContact N-O 3.41Å; L85-M309 HydrophobicContact CD2-CB 4.38Å; L85-M309 HydrophobicContact CG-CB 4.35Å; L85-M309 HydrophobicContact CG-CG 4.4Å; L85-M309 CarbonylContact O-C 3.55Å; L85-M309 WeakPolarHBondContact O-CA 3.26Å; Y87-M309 HydrophobicContact CD1-CE 3.34Å; Y87-M309 HydrophobicContact CE1-CE 4.24Å; Y87-M309 HydrophobicContact CG-CE 3.67Å; M309-A311 HydrophobicContact CE-CB 4.3Å; M309-Y329 HydrophobicContact CE-CD1 3.88Å; M309-Y329 HydrophobicContact CE-CE1 4.42Å; M309-A330 HydrophobicContact CE-CB 4.04Å; M309-A330 HydrophobicContact SD-CB 4.41Å; M309-A333 HydrophobicContact SD-CB 3.48Å; M309-A333 WeakPolarHBondContact SD-CB 3.37Å
310I97.8Very high93.7Very high0 Ų015.7 Ų15.70%010%0.096CC..EExtended strand (participates in β ladder)trans-99.897.4172.1-52.8-179.9000108A13 R15 V69 V84 L85 A86 Y87 V114 L308 C312A13-I310 CarbonylContact O-C 3.59Å; A13-I310 WeakPolarHBondContact O-CA 3.27Å; R15-I310 HydrophobicContact CB-CG2 4.39Å; V69-I310 HydrophobicContact CG2-CD1 4.46Å; V84-I310 HydrophobicContact CG1-CD1 3.7Å; V84-I310 HydrophobicContact CG1-CG1 4.14Å; L85-I310 PolarHBondContact O-N 3.26Å; A86-I310 WeakPolarHBondContact CA-O 3.31Å; Y87-I310 PolarHBondContact N-O 3.32Å; V114-I310 HydrophobicContact CG2-CD1 4.39Å; L308-I310 HydrophobicContact CD2-CG1 4.4Å; L308-I310 HydrophobicContact CG-CG1 4.36Å; I310-C312 PolarHBondContact O-N 3.19Å
311A97.6Very high93.5Very high0 Ų021.2 Ų21.20%012%0.121CC..EExtended strand (participates in β ladder)trans-79.2107.9176.800000109.4A13 L14 R15 M309 T326 A330A13-A311 PolarHBondContact O-N 3.04Å; L14-A311 HydrophobicContact CD1-CB 3.98Å; R15-A311 PolarHBondContact N-O 3.46Å; M309-A311 HydrophobicContact CE-CB 4.3Å; A311-T326 HydrophobicContact CB-CG2 4.19Å; A311-A330 HydrophobicContact CB-CB 3.81Å
312C96.5Very high93.3Very high1 Ų121.2 Ų21.21%0.00712%0.121CC..EExtended strand (participates in β ladder)trans-96.9124.1-177.5-58.60000110R15 Y87 S92 K94 I310R15-C312 WeakPolarHBondContact O-CA 3.41Å; Y87-C312 PolarHBondContact O-N 3.5Å; S92-C312 WeakPolarHBondContact CB-O 3.42Å; S92-C312 WeakPolarHBondContact O-CB 3.49Å; S92-C312 WeakPolarHBondContact OG-CB 3.46Å; S92-C312 PolarHBondContact OG-O 3.23Å; K94-C312 HydrophobicContact CG-CB 4.08Å; I310-C312 PolarHBondContact O-N 3.19Å
313V96.2Very high93.6Very high1 Ų120.2 Ų20.21%0.00611%0.11CC..EExtended strand (participates in β ladder)trans-127.1150.8-176-66.40000113.2L14 R15 C16 R17 L32 T323 T326L14-V313 HydrophobicContact CD1-CG1 3.93Å; L14-V313 HydrophobicContact CD1-CG2 3.93Å; L14-V313 HydrophobicContact CG-CG2 4.4Å; R15-V313 PolarHBondContact O-N 2.83Å; C16-V313 HydrophobicContact CB-CG2 4.18Å; R17-V313 PolarHBondContact N-O 3.3Å; L32-V313 HydrophobicContact CD1-CG2 3.83Å; V313-T323 HydrophobicContact CB-CG2 4.05Å; V313-T323 HydrophobicContact CG1-CG2 4.15Å; V313-T326 HydrophobicContact CG1-CG2 3.7Å
314S94.5Very high93.7Very high1 Ų120.8 Ų20.81%0.00711%0.11CC..  trans-88141.2166.6176.90000110R17 E23 A316 T323R17-S314 PolarHBondContact NH1-OG 2.73Å; R17-S314 PolarHBondContact NH2-OG 3.04Å; E23-S314 PolarHBondContact OE1-OG 3.37Å; S314-A316 VanDerWaalsContact C-N 3.27Å; S314-A316 WeakPolarHBondContact OG-CB 3.41Å; S314-A316 PolarHBondContact OG-N 3.43Å; S314-A316 VanDerWaalsContact OG-N 3.1Å; S314-T323 PolarHBondContact O-OG1 3.44Å
315P94.5Very high93.8Very high0 Ų021.4 Ų21.40%011%0.113CC..  trans-77.7-9.3170.533.3-35.5000113.2R17 L19 M30 C31 D317R17-P315 WeakPolarHBondContact O-CD 3.38Å; R17-P315 VanDerWaalsContact O-CG 3.26Å; R17-P315 WeakPolarHBondContact O-CG 3.44Å; L19-P315 HydrophobicContact CD2-CG 3.89Å; L19-P315 HydrophobicContact CG-CG 4Å; M30-P315 CarbonylContact C-O 3.38Å; M30-P315 WeakPolarHBondContact CA-O 3.47Å; M30-P315 HydrophobicContact CE-CB 4.17Å; M30-P315 HydrophobicContact CG-CB 4.18Å; C31-P315 PolarHBondContact N-O 3.41Å; C31-P315 PolarHBondContact SG-O 2.76Å; P315-D317 PolarHBondContact O-N 3.06Å
316A93.3Very high93.8Very high0 Ų021.4 Ų21.40%011%0.113CC..BIsolated β-bridgetrans-68.9130.8-174.900000112.8L19 E23 C28 S314 S318 N319 L320L19-A316 HydrophobicContact CD2-CB 3.76Å; E23-A316 HydrophobicContact CB-CB 4.16Å; E23-A316 VanDerWaalsContact CD-CB 3.5Å; E23-A316 HydrophobicContact CG-CB 3.88Å; C28-A316 HydrophobicContact CB-CB 3.88Å; S314-A316 VanDerWaalsContact C-N 3.27Å; S314-A316 WeakPolarHBondContact OG-CB 3.41Å; S314-A316 PolarHBondContact OG-N 3.43Å; S314-A316 VanDerWaalsContact OG-N 3.1Å; A316-S318 VanDerWaalsContact C-N 3.27Å; A316-S318 PolarHBondContact O-N 3.32Å; A316-N319 WeakPolarHBondContact O-CA 3.48Å; A316-N319 PolarHBondContact O-N 2.95Å; A316-L320 PolarHBondContact O-N 3.26Å
317D91.4Very high93.8Very high63 Ų6319.1 Ų19.134%0.33710%0.102SC..G310 helixtrans-45.4-43.6168.752.216.4000114.3C28 Q29 C31 P315 N319 L320C28-D317 VanDerWaalsContact CA-OD1 3.27Å; C28-D317 WeakPolarHBondContact CA-OD1 3.37Å; C28-D317 WeakPolarHBondContact CB-OD1 3.49Å; C28-D317 PolarHBondContact SG-OD1 3.2Å; Q29-D317 VanDerWaalsContact N-CG 3.35Å; Q29-D317 PolarHBondContact N-OD2 3.09Å; Q29-D317 PolarHBondContact O-N 2.95Å; C31-D317 HydrophobicContact CB-CB 4.35Å; P315-D317 PolarHBondContact O-N 3.06Å; D317-N319 PolarHBondContact O-N 2.9Å; D317-L320 WeakPolarHBondContact O-CB 3.4Å; D317-L320 PolarHBondContact O-N 3.03Å
318S88.9Confident93.7Very high50 Ų5025.2 Ų25.235%0.3512%0.124SC..G310 helixtrans-61-16.1177.767.20000113.9C28 K249 A316C28-S318 VanDerWaalsContact SG-CB 3.53Å; C28-S318 PolarHBondContact SG-OG 3.44Å; K249-S318 PolarHBondContact NZ-O 3.07Å; A316-S318 VanDerWaalsContact C-N 3.27Å; A316-S318 PolarHBondContact O-N 3.32Å
319N89.6Confident93.4Very high10 Ų1025.7 Ų25.75%0.05313%0.126CC..G310 helixtrans-112.16.1177.3-70.3-48.7000113.8E23 Q89 K249 A316 D317 E321 E322 T323E23-N319 PolarHBondContact OE1-ND2 3.32Å; Q89-N319 PolarHBondContact NE2-OD1 2.81Å; Q89-N319 PolarHBondContact OE1-OD1 3.33Å; K249-N319 PolarHBondContact NZ-OD1 3.12Å; A316-N319 WeakPolarHBondContact O-CA 3.48Å; A316-N319 PolarHBondContact O-N 2.95Å; D317-N319 PolarHBondContact O-N 2.9Å; N319-E321 VanDerWaalsContact C-N 3.29Å; N319-E321 PolarHBondContact O-N 3.34Å; N319-E321 VanDerWaalsContact O-N 3.14Å; N319-E322 PolarHBondContact O-N 3.2Å; N319-T323 PolarHBondContact O-N 3.01Å
320L90.6Very high93.3Very high64 Ų6425.5 Ų25.534%0.33513%0.125SC..Hα-helixtrans-46.1-44.8179.5175.260.9000113.9C31 V43 A316 D317 E322 L324C31-L320 HydrophobicContact CB-CD1 4.43Å; V43-L320 HydrophobicContact CG1-CD1 3.34Å; A316-L320 PolarHBondContact O-N 3.26Å; D317-L320 WeakPolarHBondContact O-CB 3.4Å; D317-L320 PolarHBondContact O-N 3.03Å; L320-E322 PolarHBondContact O-N 3.39Å; L320-L324 HydrophobicContact CD1-CD1 3.84Å; L320-L324 HydrophobicContact CD1-CG 4.07Å; L320-L324 HydrophobicContact CG-CD1 4.06Å; L320-L324 WeakPolarHBondContact O-CB 3.48Å; L320-L324 WeakPolarHBondContact O-CG 3.49Å; L320-L324 PolarHBondContact O-N 3.06Å
321E89.3Confident93.1Very high117 Ų11727.3 Ų27.355%0.54714%0.135SC..Hα-helixtrans-58.6-44.5177.3-68.5-163.215300113.1N319 N325N319-E321 VanDerWaalsContact C-N 3.29Å; N319-E321 PolarHBondContact O-N 3.34Å; N319-E321 VanDerWaalsContact O-N 3.14Å; E321-N325 WeakPolarHBondContact O-CB 3.49Å; E321-N325 PolarHBondContact O-N 3.11Å; E321-N325 PolarHBondContact O-ND2 3.19Å; E321-N325 VanDerWaalsContact O-ND2 3.13Å
322E90.1Very high92.9Very high3 Ų331.5 Ų31.51%0.01415%0.15CC..Hα-helixtrans-81.8-31-174.4-57.5-70.1-150.200111Q89 E245 R246 N319 L320 N325 T326Q89-E322 HydrophobicContact CB-CB 4.32Å; Q89-E322 HydrophobicContact CG-CB 4.02Å; Q89-E322 HydrophobicContact CG-CG 4.32Å; E245-E322 WeakPolarHBondContact CA-OE1 3.36Å; R246-E322 WeakPolarHBondContact CG-OE1 3.45Å; R246-E322 PolarHBondContact N-OE1 3.08Å; R246-E322 IonicContact NE-OE2 3.12Å; N319-E322 PolarHBondContact O-N 3.2Å; L320-E322 PolarHBondContact O-N 3.39Å; E322-N325 PolarHBondContact O-N 2.68Å; E322-N325 PolarHBondContact OE2-ND2 2.89Å; E322-T326 WeakPolarHBondContact O-CB 3.43Å; E322-T326 PolarHBondContact O-N 2.95Å; E322-T326 PolarHBondContact O-OG1 2.71Å
323T93.1Very high92.8Very high1 Ų131.5 Ų31.51%0.00615%0.15CC..Hα-helixtrans-62-47.5166.1-75.80000110.8L32 V313 S314 N319 N325 T326 L327L32-T323 HydrophobicContact CD1-CG2 4.03Å; L32-T323 HydrophobicContact CD2-CG2 3.9Å; L32-T323 HydrophobicContact CG-CG2 4.33Å; V313-T323 HydrophobicContact CB-CG2 4.05Å; V313-T323 HydrophobicContact CG1-CG2 4.15Å; S314-T323 PolarHBondContact O-OG1 3.44Å; N319-T323 PolarHBondContact O-N 3.01Å; T323-N325 PolarHBondContact O-N 3.31Å; T323-T326 WeakPolarHBondContact O-CB 3.43Å; T323-T326 PolarHBondContact O-N 3.11Å; T323-T326 VanDerWaalsContact O-N 3.17Å; T323-L327 HydrophobicContact CG2-CD1 3.89Å; T323-L327 VanDerWaalsContact O-CG 3.27Å; T323-L327 WeakPolarHBondContact O-CG 3.45Å; T323-L327 PolarHBondContact O-N 3.27Å
324L93Very high92.7Very high29 Ų2934.4 Ų34.415%0.15216%0.161CC..Hα-helixtrans-62.9-39.1174.1-80.5169.9000113.2V43 F49 L320 T326 R328V43-L324 HydrophobicContact CB-CD2 4.17Å; V43-L324 HydrophobicContact CG1-CD2 3.84Å; V43-L324 HydrophobicContact CG1-CG 4.07Å; V43-L324 HydrophobicContact CG2-CD2 4.2Å; F49-L324 HydrophobicContact CE2-CD2 4.07Å; F49-L324 HydrophobicContact CZ-CD2 4.27Å; L320-L324 HydrophobicContact CD1-CD1 3.84Å; L320-L324 HydrophobicContact CD1-CG 4.07Å; L320-L324 HydrophobicContact CG-CD1 4.06Å; L320-L324 WeakPolarHBondContact O-CB 3.48Å; L320-L324 WeakPolarHBondContact O-CG 3.49Å; L320-L324 PolarHBondContact O-N 3.06Å; L324-T326 VanDerWaalsContact C-N 3.34Å; L324-R328 WeakPolarHBondContact O-CB 3.31Å; L324-R328 WeakPolarHBondContact O-CD 3.33Å; L324-R328 VanDerWaalsContact O-CG 3.29Å; L324-R328 WeakPolarHBondContact O-CG 3.35Å; L324-R328 PolarHBondContact O-N 2.94Å; L324-R328 VanDerWaalsContact O-N 3.07Å
325N91.8Very high92.6Very high44 Ų4438.6 Ų38.624%0.23518%0.18CC..Hα-helixtrans-59.8-46.8172.2-70.2-31.3000110.3R246 E321 E322 T323 R328 Y329R246-N325 PolarHBondContact NH2-ND2 3.31Å; R246-N325 VanDerWaalsContact NH2-ND2 3.14Å; R246-N325 PolarHBondContact NH2-OD1 3.26Å; E321-N325 WeakPolarHBondContact O-CB 3.49Å; E321-N325 PolarHBondContact O-N 3.11Å; E321-N325 PolarHBondContact O-ND2 3.19Å; E321-N325 VanDerWaalsContact O-ND2 3.13Å; E322-N325 PolarHBondContact O-N 2.68Å; E322-N325 PolarHBondContact OE2-ND2 2.89Å; T323-N325 PolarHBondContact O-N 3.31Å; N325-R328 PolarHBondContact O-N 3.45Å; N325-Y329 VanDerWaalsContact O-CB 3.3Å; N325-Y329 WeakPolarHBondContact O-CB 3.23Å; N325-Y329 PolarHBondContact O-N 2.82Å
326T94.8Very high92.5Very high1 Ų138.6 Ų38.61%0.00618%0.18CC..Hα-helixtrans-62-45.2179.9-56.70000111.8Y87 A311 V313 E322 T323 L324 Y329 A330Y87-T326 HydrophobicContact CD1-CG2 4Å; Y87-T326 HydrophobicContact CE1-CG2 4.11Å; A311-T326 HydrophobicContact CB-CG2 4.19Å; V313-T326 HydrophobicContact CG1-CG2 3.7Å; E322-T326 WeakPolarHBondContact O-CB 3.43Å; E322-T326 PolarHBondContact O-N 2.95Å; E322-T326 PolarHBondContact O-OG1 2.71Å; T323-T326 WeakPolarHBondContact O-CB 3.43Å; T323-T326 PolarHBondContact O-N 3.11Å; T323-T326 VanDerWaalsContact O-N 3.17Å; L324-T326 VanDerWaalsContact C-N 3.34Å; T326-Y329 WeakPolarHBondContact O-CB 3.4Å; T326-Y329 PolarHBondContact O-N 3.4Å; T326-A330 WeakPolarHBondContact O-CB 3.42Å; T326-A330 PolarHBondContact O-N 3.45Å
327L95.1Very high92.4Very high0 Ų043.7 Ų43.70%020%0.202CC..Hα-helixtrans-62.3-47.2178.3-70.8165.5000112.5L14 V41 V43 F49 Y51 T323 Y329 A330 D331L14-L327 HydrophobicContact CD1-CD2 3.52Å; L14-L327 HydrophobicContact CD2-CD2 3.63Å; L14-L327 HydrophobicContact CG-CD2 4.24Å; V41-L327 HydrophobicContact CG1-CD2 3.86Å; V43-L327 HydrophobicContact CG2-CD1 3.38Å; F49-L327 HydrophobicContact CD1-CB 4.2Å; F49-L327 HydrophobicContact CD2-CB 4.28Å; F49-L327 HydrophobicContact CD2-CD1 4.11Å; F49-L327 HydrophobicContact CE1-CB 4.14Å; F49-L327 HydrophobicContact CE2-CB 4.23Å; F49-L327 HydrophobicContact CE2-CD1 4.16Å; F49-L327 HydrophobicContact CG-CB 4.27Å; F49-L327 HydrophobicContact CZ-CB 4.16Å; Y51-L327 HydrophobicContact CE2-CD2 3.72Å; Y51-L327 VanDerWaalsContact OH-C 3.28Å; Y51-L327 VanDerWaalsContact OH-CA 3.25Å; Y51-L327 WeakPolarHBondContact OH-CA 3.44Å; Y51-L327 WeakPolarHBondContact OH-CB 3.36Å; Y51-L327 VanDerWaalsContact OH-CD2 3.29Å; Y51-L327 WeakPolarHBondContact OH-CD2 3.46Å; Y51-L327 PolarHBondContact OH-O 2.75Å; T323-L327 HydrophobicContact CG2-CD1 3.89Å; T323-L327 VanDerWaalsContact O-CG 3.27Å; T323-L327 WeakPolarHBondContact O-CG 3.45Å; T323-L327 PolarHBondContact O-N 3.27Å; L327-Y329 VanDerWaalsContact C-N 3.28Å; L327-Y329 PolarHBondContact O-N 3.5Å; L327-A330 PolarHBondContact O-N 2.82Å; L327-D331 PolarHBondContact O-N 3.06Å
328R93.6Very high92.5Very high136 Ų13640.9 Ų40.951%0.51319%0.186SC..Hα-helixtrans-65.7-29176.2-71.8169.4168.3173.4-4.9113.2F49 L324 N325 R332F49-R328 HydrophobicContact CE1-CG 4.06Å; F49-R328 HydrophobicContact CZ-CG 4.14Å; L324-R328 WeakPolarHBondContact O-CB 3.31Å; L324-R328 WeakPolarHBondContact O-CD 3.33Å; L324-R328 VanDerWaalsContact O-CG 3.29Å; L324-R328 WeakPolarHBondContact O-CG 3.35Å; L324-R328 PolarHBondContact O-N 2.94Å; L324-R328 VanDerWaalsContact O-N 3.07Å; N325-R328 PolarHBondContact O-N 3.45Å; R328-R332 WeakPolarHBondContact O-CG 3.46Å; R328-R332 PolarHBondContact O-NE 3.29Å
329Y92.6Very high92.6Very high15 Ų1545.1 Ų45.16%0.05920%0.199CC..Hα-helixtrans-73-44.6174.7-161.2-82.7000110.6Y87 L267 L270 G271 I274 M309 N325 T326 L327 R332 A333Y87-Y329 AromaticContact CD1-CD1 3.92Å; Y87-Y329 HydrophobicContact CD1-CD1 3.92Å; Y87-Y329 HydrophobicContact CD1-CE1 4.24Å; Y87-Y329 HydrophobicContact CD1-CG 4.48Å; Y87-Y329 HydrophobicContact CD2-CE1 4.07Å; Y87-Y329 AromaticContact CE1-CD1 3.48Å; Y87-Y329 HydrophobicContact CE1-CD1 3.48Å; Y87-Y329 VanDerWaalsContact CE1-CD1 3.48Å; Y87-Y329 HydrophobicContact CE1-CD2 4.23Å; Y87-Y329 AromaticContact CE1-CE1 3.88Å; Y87-Y329 HydrophobicContact CE1-CE1 3.88Å; Y87-Y329 AromaticContact CE1-CG 3.64Å; Y87-Y329 HydrophobicContact CE1-CG 3.64Å; Y87-Y329 HydrophobicContact CE2-CD1 4.18Å; Y87-Y329 AromaticContact CE2-CE1 3.7Å; Y87-Y329 HydrophobicContact CE2-CE1 3.7Å; Y87-Y329 HydrophobicContact CE2-CE2 4.27Å; Y87-Y329 AromaticContact CE2-CZ 3.73Å; Y87-Y329 HydrophobicContact CG-CD1 4.45Å; Y87-Y329 HydrophobicContact CG-CE1 4.33Å; Y87-Y329 AromaticContact CZ-CD1 3.63Å; Y87-Y329 AromaticContact CZ-CD2 3.85Å; Y87-Y329 AromaticContact CZ-CE1 3.6Å; Y87-Y329 AromaticContact CZ-CE2 3.85Å; Y87-Y329 AromaticContact CZ-CG 3.72Å; Y87-Y329 AromaticContact CZ-CZ 3.71Å; Y87-Y329 VanDerWaalsContact OH-CD2 3.31Å; Y87-Y329 WeakPolarHBondContact OH-CD2 3.45Å; Y87-Y329 WeakPolarHBondContact OH-CE2 3.42Å; L267-Y329 PolarHBondContact O-OH 2.89Å; L270-Y329 VanDerWaalsContact C-OH 3.27Å; L270-Y329 WeakPolarHBondContact CB-OH 3.42Å; L270-Y329 WeakPolarHBondContact CG-OH 3.47Å; G271-Y329 VanDerWaalsContact CA-CE2 3.45Å; G271-Y329 WeakPolarHBondContact CA-OH 3.2Å; G271-Y329 PolarHBondContact N-OH 3.32Å; I274-Y329 HydrophobicContact CD1-CD1 4.1Å; I274-Y329 HydrophobicContact CD1-CE1 3.33Å; M309-Y329 HydrophobicContact CE-CD1 3.88Å; M309-Y329 HydrophobicContact CE-CE1 4.42Å; N325-Y329 VanDerWaalsContact O-CB 3.3Å; N325-Y329 WeakPolarHBondContact O-CB 3.23Å; N325-Y329 PolarHBondContact O-N 2.82Å; T326-Y329 WeakPolarHBondContact O-CB 3.4Å; T326-Y329 PolarHBondContact O-N 3.4Å; L327-Y329 VanDerWaalsContact C-N 3.28Å; L327-Y329 PolarHBondContact O-N 3.5Å; Y329-R332 PolarHBondContact O-N 2.91Å; Y329-A333 PolarHBondContact O-N 2.93Å
330A95Very high92.6Very high0 Ų045.5 Ų45.50%020%0.202CC..Hα-helixtrans-63.3-40.5176.600000112.8V12 Y51 M309 A311 T326 L327 R332 A333 R334V12-A330 HydrophobicContact CG1-CB 3.81Å; Y51-A330 HydrophobicContact CE1-CB 3.7Å; M309-A330 HydrophobicContact CE-CB 4.04Å; M309-A330 HydrophobicContact SD-CB 4.41Å; A311-A330 HydrophobicContact CB-CB 3.81Å; T326-A330 WeakPolarHBondContact O-CB 3.42Å; T326-A330 PolarHBondContact O-N 3.45Å; L327-A330 PolarHBondContact O-N 2.82Å; A330-R332 VanDerWaalsContact C-N 3.32Å; A330-R332 PolarHBondContact O-N 3Å; A330-A333 WeakPolarHBondContact O-CB 3.42Å; A330-A333 PolarHBondContact O-N 3.29Å; A330-R334 PolarHBondContact O-N 3.19Å; A330-R334 VanDerWaalsContact O-N 3.11Å
331D93.8Very high92.5Very high37 Ų3747.4 Ų47.420%0.19821%0.211CC..Hα-helixtrans-63.3-37.4176.6178.273.8000112.7Y51 L327 R334 K335Y51-D331 HydrophobicContact CE1-CB 4.47Å; L327-D331 PolarHBondContact O-N 3.06Å; D331-R334 PolarHBondContact O-N 3.44Å; D331-R334 IonicContact OD1-CZ 3.43Å; D331-R334 IonicContact OD1-NH1 2.7Å; D331-R334 PolarHBondContact OD1-NH1 3.17Å; D331-R334 IonicContact OD1-NH2 2.75Å; D331-R334 PolarHBondContact OD1-NH2 2.84Å; D331-K335 WeakPolarHBondContact O-CE 3.39Å; D331-K335 WeakPolarHBondContact OD2-CE 3.16Å; D331-K335 IonicContact OD2-NZ 3.73Å; D331-K335 PolarHBondContact OD2-NZ 3.08Å
332R93.1Very high92.5Very high88 Ų8844.5 Ų44.533%0.33220%0.201SC..Hα-helixtrans-71.1-37.5175.1-67.3-177.3-61.2152.512.5111.8I274 S275 R328 Y329 A330 R334 K335I274-R332 HydrophobicContact CG2-CB 4.05Å; S275-R332 PolarHBondContact OG-NH1 3.2Å; R328-R332 WeakPolarHBondContact O-CG 3.46Å; R328-R332 PolarHBondContact O-NE 3.29Å; Y329-R332 PolarHBondContact O-N 2.91Å; A330-R332 VanDerWaalsContact C-N 3.32Å; A330-R332 PolarHBondContact O-N 3Å; R332-R334 VanDerWaalsContact C-N 3.3Å; R332-R334 PolarHBondContact O-N 2.79Å; R332-K335 WeakPolarHBondContact O-CB 3.24Å; R332-K335 PolarHBondContact O-N 2.96Å; R332-K335 VanDerWaalsContact O-N 3.14Å
333A94.2Very high92.2Very high1 Ų145.7 Ų45.71%0.00821%0.208CC..Hα-helixtrans-58.6-40.1173.700000112.3V12 I274 M309 Y329 A330 K335 I336V12-A333 HydrophobicContact CG2-CB 4.32Å; I274-A333 HydrophobicContact CG2-CB 4.29Å; M309-A333 HydrophobicContact SD-CB 3.48Å; M309-A333 WeakPolarHBondContact SD-CB 3.37Å; Y329-A333 PolarHBondContact O-N 2.93Å; A330-A333 WeakPolarHBondContact O-CB 3.42Å; A330-A333 PolarHBondContact O-N 3.29Å; A333-K335 PolarHBondContact O-N 3.38Å; A333-I336 WeakPolarHBondContact O-CB 3.35Å; A333-I336 WeakPolarHBondContact O-CG1 3.31Å; A333-I336 PolarHBondContact O-N 2.91Å; A333-I336 VanDerWaalsContact O-N 3.16Å
334R94.1Very high91.7Very high63 Ų6349.7 Ų49.724%0.23823%0.228CC..THydrogen-bonded Turntrans-60.2-17.8177.7-154.117668.9-96.9-19.7114.2V12 T50 A330 D331 R332V12-R334 HydrophobicContact CB-CB 4.45Å; V12-R334 HydrophobicContact CB-CG 4.42Å; V12-R334 HydrophobicContact CG2-CB 3.73Å; V12-R334 HydrophobicContact CG2-CG 4.06Å; T50-R334 PolarHBondContact O-NH1 2.77Å; A330-R334 PolarHBondContact O-N 3.19Å; A330-R334 VanDerWaalsContact O-N 3.11Å; D331-R334 PolarHBondContact O-N 3.44Å; D331-R334 IonicContact OD1-CZ 3.43Å; D331-R334 IonicContact OD1-NH1 2.7Å; D331-R334 PolarHBondContact OD1-NH1 3.17Å; D331-R334 IonicContact OD1-NH2 2.75Å; D331-R334 PolarHBondContact OD1-NH2 2.84Å; R332-R334 VanDerWaalsContact C-N 3.3Å; R332-R334 PolarHBondContact O-N 2.79Å
335K92.2Very high90.7Very high89 Ų8949.5 Ų49.539%0.38723%0.227SC..THydrogen-bonded Turntrans-84.4-30.3-179.6-63.6169.9-164.9170.90112.3D331 R332 A333 K337D331-K335 WeakPolarHBondContact O-CE 3.39Å; D331-K335 WeakPolarHBondContact OD2-CE 3.16Å; D331-K335 IonicContact OD2-NZ 3.73Å; D331-K335 PolarHBondContact OD2-NZ 3.08Å; R332-K335 WeakPolarHBondContact O-CB 3.24Å; R332-K335 PolarHBondContact O-N 2.96Å; R332-K335 VanDerWaalsContact O-N 3.14Å; A333-K335 PolarHBondContact O-N 3.38Å; K335-K337 VanDerWaalsContact O-CD 3.3Å; K335-K337 WeakPolarHBondContact O-CD 3.33Å; K335-K337 WeakPolarHBondContact O-CE 3.45Å; K335-K337 PolarHBondContact O-N 3.3Å; K335-K337 PolarHBondContact O-NZ 2.94Å
336I92.6Very high89.4Confident0 Ų050.5 Ų50.50%024%0.236CC..  trans-54.3130.9-179.8-57.6179.6000110.9P9 V10 I274 L277 L301 A333P9-I336 VanDerWaalsContact CA-O 3.28Å; P9-I336 WeakPolarHBondContact CA-O 3.32Å; V10-I336 HydrophobicContact CB-CB 4.45Å; V10-I336 HydrophobicContact CG2-CB 3.85Å; V10-I336 HydrophobicContact CG2-CG2 3.81Å; V10-I336 PolarHBondContact N-O 2.91Å; I274-I336 HydrophobicContact CB-CD1 4.15Å; I274-I336 HydrophobicContact CG1-CD1 3.79Å; I274-I336 HydrophobicContact CG2-CD1 4.14Å; L277-I336 HydrophobicContact CB-CB 4.38Å; L277-I336 HydrophobicContact CB-CD1 3.98Å; L277-I336 HydrophobicContact CB-CG1 3.72Å; L277-I336 HydrophobicContact CB-CG2 4.06Å; L277-I336 HydrophobicContact CD1-CD1 4.21Å; L277-I336 HydrophobicContact CD1-CG2 4.1Å; L301-I336 HydrophobicContact CD2-CD1 4.19Å; A333-I336 WeakPolarHBondContact O-CB 3.35Å; A333-I336 WeakPolarHBondContact O-CG1 3.31Å; A333-I336 PolarHBondContact O-N 2.91Å; A333-I336 VanDerWaalsContact O-N 3.16Å
337K91.8Very high88.1Confident107 Ų10757.7 Ų57.747%0.46527%0.27SS..EExtended strand (participates in β ladder)trans-107.7110.8178-50.7-54.3178.6-159.10111.1P9 K335P9-K337 HydrophobicContact CB-CD 4.29Å; K335-K337 VanDerWaalsContact O-CD 3.3Å; K335-K337 WeakPolarHBondContact O-CD 3.33Å; K335-K337 WeakPolarHBondContact O-CE 3.45Å; K335-K337 PolarHBondContact O-N 3.3Å; K335-K337 PolarHBondContact O-NZ 2.94Å
338N92.5Very high86.7Confident3 Ų358.1 Ų58.12%0.01627%0.272CS..EExtended strand (participates in β ladder)trans-83.2164.1172.5-71.214.1000111.3I8 V10 S300 G302 S305 T307 P340I8-N338 PolarHBondContact N-O 2.85Å; I8-N338 PolarHBondContact O-N 3.49Å; V10-N338 WeakPolarHBondContact CG2-OD1 3.5Å; S300-N338 PolarHBondContact O-ND2 3.41Å; G302-N338 WeakPolarHBondContact CA-OD1 3.45Å; G302-N338 PolarHBondContact N-OD1 2.92Å; S305-N338 WeakPolarHBondContact O-CB 3.35Å; S305-N338 PolarHBondContact O-ND2 3.24Å; T307-N338 PolarHBondContact OG1-ND2 2.88Å; N338-P340 VanDerWaalsContact C-CD 3.46Å
339K91.3Very high85.3Confident140 Ų14053.8 Ų53.861%0.60927%0.266SS*.  trans-129.265.2177.5-64.9175.5-176.5171.80110.3G303 I341G303-K339 PolarHBondContact O-N 2.91Å; K339-I341 PolarHBondContact O-N 3.41Å
340P89.9Confident84.2Confident18 Ų1858.9 Ų58.912%0.11729%0.29CS..  trans-64.8128.9178.427.9-34000110.7I8 Y80 N338I8-P340 HydrophobicContact CD1-CG 3.95Å; Y80-P340 HydrophobicContact CD1-CB 4.03Å; N338-P340 VanDerWaalsContact C-CD 3.46Å
341I89Confident82.9Confident103 Ų10362.3 Ų62.353%0.52831%0.308SS..  trans-116.5159.9174.457166.3000110.3Y80 N304 K339 N343Y80-I341 WeakPolarHBondContact CD1-O 3.21Å; N304-I341 WeakPolarHBondContact ND2-CG1 3.26Å; N304-I341 VanDerWaalsContact OD1-CG1 3.31Å; N304-I341 WeakPolarHBondContact OD1-CG1 3.34Å; N304-I341 PolarHBondContact OD1-N 3.34Å; K339-I341 PolarHBondContact O-N 3.41Å; I341-N343 PolarHBondContact O-N 3.42Å; I341-N343 PolarHBondContact O-ND2 2.83Å
342V88.6Confident81.7Confident57 Ų5763.6 Ų63.635%0.34532%0.315SS..  trans-75116.7172.81760000108.5K78 Y80 F232 I344K78-V342 WeakPolarHBondContact O-CG1 3.3Å; Y80-V342 HydrophobicContact CD1-CG2 4.34Å; Y80-V342 HydrophobicContact CE1-CG2 3.72Å; Y80-V342 HydrophobicContact CE2-CG2 4.16Å; F232-V342 HydrophobicContact CD1-CG1 3.67Å; F232-V342 HydrophobicContact CE1-CG1 3.62Å; V342-I344 HydrophobicContact CG1-CG1 4.34Å; V342-I344 PolarHBondContact O-N 3.44Å
343N84.8Confident80.8Confident28 Ų2864.1 Ų64.115%0.1532%0.321CS..  trans-85.592.4-175.7-59-83.9000109.5G79 N81 F232 R233 N304 I341G79-N343 WeakPolarHBondContact O-CB 3.24Å; G79-N343 PolarHBondContact O-N 2.96Å; G79-N343 PolarHBondContact O-ND2 3.27Å; N81-N343 PolarHBondContact N-ND2 2.89Å; N81-N343 PolarHBondContact ND2-ND2 3.01Å; N81-N343 PolarHBondContact ND2-OD1 2.9Å; F232-N343 CarbonylContact C-O 3.59Å; F232-N343 WeakPolarHBondContact CA-O 3.5Å; R233-N343 PolarHBondContact N-O 3.42Å; R233-N343 WeakPolarHBondContact O-CB 3.33Å; N304-N343 PolarHBondContact ND2-OD1 2.91Å; I341-N343 PolarHBondContact O-N 3.42Å; I341-N343 PolarHBondContact O-ND2 2.83Å
344I82.3Confident79.9Confident85 Ų8568.4 Ų68.444%0.43634%0.343SS..BIsolated β-bridgetrans-79138.3170.6-56.4174.7000108.2F232 V342 T348 A349F232-I344 HydrophobicContact CD1-CG1 4.1Å; F232-I344 HydrophobicContact CE1-CG1 4.02Å; V342-I344 HydrophobicContact CG1-CG1 4.34Å; V342-I344 PolarHBondContact O-N 3.44Å; I344-T348 HydrophobicContact CG2-CG2 3.83Å; I344-A349 HydrophobicContact CG2-CB 4.27Å
345D70.9Confident78.9Confident24 Ų2469.8 Ų69.813%0.12835%0.351CS..  trans-53.4128.7173.81682.1000111.2S231 Q347 T348 A349S231-D345 WeakPolarHBondContact O-CB 3.26Å; S231-D345 PolarHBondContact O-N 2.84Å; S231-D345 WeakPolarHBondContact OG-CB 3.38Å; S231-D345 PolarHBondContact OG-OD2 3.32Å; D345-Q347 VanDerWaalsContact C-N 3.27Å; D345-Q347 PolarHBondContact O-N 3.47Å; D345-Q347 PolarHBondContact OD1-N 2.99Å; D345-T348 CarbonylContact O-C 3.55Å; D345-T348 WeakPolarHBondContact O-CA 3.48Å; D345-T348 WeakPolarHBondContact O-CB 3.48Å; D345-T348 PolarHBondContact O-N 3.3Å; D345-A349 PolarHBondContact O-N 3.3Å
346P65.1Low78.1Confident65 Ų6570.7 Ų70.742%0.42236%0.357SS..Hα-helixtrans-59.1-32.7-176.623.1-33.9000113.7A349 E350P346-A349 PolarHBondContact O-N 2.92Å; P346-E350 WeakPolarHBondContact O-CB 3.5Å; P346-E350 PolarHBondContact O-N 2.89Å
347Q66.8Low77.5Confident152 Ų15274.5 Ų74.571%0.7138%0.375SS*.Hα-helixtrans-65.1-44.1175.8-61.6-171.69.500110.6D345 E350 L351D345-Q347 VanDerWaalsContact C-N 3.27Å; D345-Q347 PolarHBondContact O-N 3.47Å; D345-Q347 PolarHBondContact OD1-N 2.99Å; Q347-E350 PolarHBondContact O-N 3.42Å; Q347-L351 WeakPolarHBondContact O-CB 3.43Å; Q347-L351 PolarHBondContact O-N 2.9Å
348T66.8Low76.9Confident9 Ų973 Ų736%0.05537%0.374CS..Hα-helixtrans-67.6-38.1176.4-75.20000112.3N229 S231 I344 D345 N352N229-T348 WeakPolarHBondContact O-CG2 3.32Å; S231-T348 PolarHBondContact OG-OG1 3.17Å; I344-T348 HydrophobicContact CG2-CG2 3.83Å; D345-T348 CarbonylContact O-C 3.55Å; D345-T348 WeakPolarHBondContact O-CA 3.48Å; D345-T348 WeakPolarHBondContact O-CB 3.48Å; D345-T348 PolarHBondContact O-N 3.3Å; T348-N352 VanDerWaalsContact O-CB 3.3Å; T348-N352 WeakPolarHBondContact O-CB 3.49Å; T348-N352 VanDerWaalsContact O-CG 3.27Å; T348-N352 PolarHBondContact O-N 3.43Å; T348-N352 PolarHBondContact O-ND2 3.27Å
349A64.7Low76Confident46 Ų4678.9 Ų78.938%0.3840%0.402SS..Hα-helixtrans-65.5-42.6175.500000111.8I344 D345 P346 N352 H353I344-A349 HydrophobicContact CG2-CB 4.27Å; D345-A349 PolarHBondContact O-N 3.3Å; P346-A349 PolarHBondContact O-N 2.92Å; A349-N352 PolarHBondContact O-N 2.83Å; A349-H353 WeakPolarHBondContact O-CB 3.5Å; A349-H353 PolarHBondContact O-N 3.31Å
350E68.1Low75.4Confident121 Ų12177.7 Ų77.757%0.56540%0.398SS*.Hα-helixtrans-67.7-42.5175.7-173.5155.6-138.800111.7P346 Q347 N352 H353 L354P346-E350 WeakPolarHBondContact O-CB 3.5Å; P346-E350 PolarHBondContact O-N 2.89Å; Q347-E350 PolarHBondContact O-N 3.42Å; E350-N352 VanDerWaalsContact C-N 3.34Å; E350-N352 PolarHBondContact O-N 3.04Å; E350-H353 PolarHBondContact O-N 3.42Å; E350-L354 HydrophobicContact CG-CD1 4.28Å; E350-L354 WeakPolarHBondContact O-CB 3.43Å; E350-L354 VanDerWaalsContact O-CG 3.31Å; E350-L354 WeakPolarHBondContact O-CG 3.42Å; E350-L354 PolarHBondContact O-N 2.89Å
351L68.1Low74.8Confident72 Ų7281.7 Ų81.738%0.37742%0.418SS..Hα-helixtrans-62.3-39.8175.1-163.8165.2000111.6N229 Q347 L354 K355N229-L351 WeakPolarHBondContact OD1-CD2 3.3Å; Q347-L351 WeakPolarHBondContact O-CB 3.43Å; Q347-L351 PolarHBondContact O-N 2.9Å; L351-L354 PolarHBondContact O-N 2.94Å; L351-K355 HydrophobicContact CD2-CD 3.91Å; L351-K355 HydrophobicContact CD2-CG 4.28Å; L351-K355 VanDerWaalsContact CD2-NZ 3.3Å; L351-K355 WeakPolarHBondContact O-CG 3.49Å; L351-K355 PolarHBondContact O-N 2.97Å
352N68.9Low74Confident64 Ų6482.2 Ų82.234%0.34242%0.418SS..Hα-helixtrans-72.7-33.4174.5-71.6-29.7000112.8T348 A349 E350 K355 Q356T348-N352 VanDerWaalsContact O-CB 3.3Å; T348-N352 WeakPolarHBondContact O-CB 3.49Å; T348-N352 VanDerWaalsContact O-CG 3.27Å; T348-N352 PolarHBondContact O-N 3.43Å; T348-N352 PolarHBondContact O-ND2 3.27Å; A349-N352 PolarHBondContact O-N 2.83Å; E350-N352 VanDerWaalsContact C-N 3.34Å; E350-N352 PolarHBondContact O-N 3.04Å; N352-K355 PolarHBondContact O-N 3.43Å; N352-K355 PolarHBondContact OD1-NZ 2.9Å; N352-Q356 WeakPolarHBondContact O-CB 3.34Å; N352-Q356 PolarHBondContact O-N 2.96Å
353H73.8Confident73.1Confident99 Ų9982.8 Ų82.846%0.45842%0.421SS..Hα-helixtrans-65-42.6170.6-174.346.4000111.6A349 E350 Q356 Q357A349-H353 WeakPolarHBondContact O-CB 3.5Å; A349-H353 PolarHBondContact O-N 3.31Å; E350-H353 PolarHBondContact O-N 3.42Å; H353-Q356 WeakPolarHBondContact O-CB 3.45Å; H353-Q356 PolarHBondContact O-N 3.47Å; H353-Q357 PolarHBondContact CD2-NE2 3.03Å; H353-Q357 PolarHBondContact NE2-NE2 3.04Å; H353-Q357 WeakPolarHBondContact O-CG 3.43Å; H353-Q357 PolarHBondContact O-N 2.97Å
354L76.2Confident72.6Confident91 Ų9186 Ų8648%0.47644%0.438SS..Hα-helixtrans-63.1-42.7174.3-72.4167.6000111.9E350 L351 Q356 Q357 V358E350-L354 HydrophobicContact CG-CD1 4.28Å; E350-L354 WeakPolarHBondContact O-CB 3.43Å; E350-L354 VanDerWaalsContact O-CG 3.31Å; E350-L354 WeakPolarHBondContact O-CG 3.42Å; E350-L354 PolarHBondContact O-N 2.89Å; L351-L354 PolarHBondContact O-N 2.94Å; L354-Q356 VanDerWaalsContact C-N 3.31Å; L354-Q356 PolarHBondContact O-N 2.83Å; L354-Q357 PolarHBondContact O-N 3.01Å; L354-V358 WeakPolarHBondContact O-CB 3.37Å; L354-V358 VanDerWaalsContact O-CG2 3.32Å; L354-V358 WeakPolarHBondContact O-CG2 3.1Å; L354-V358 PolarHBondContact O-N 3.34Å
355K72.1Confident72Confident92 Ų9286.7 Ų86.740%0.444%0.442SS..Hα-helixtrans-56.6-44.3170.4-78.3170.2179.91590111.7N229 L351 N352 V358 Q359N229-K355 PolarHBondContact OD1-NZ 3.37Å; N229-K355 VanDerWaalsContact OD1-NZ 3.1Å; L351-K355 HydrophobicContact CD2-CD 3.91Å; L351-K355 HydrophobicContact CD2-CG 4.28Å; L351-K355 VanDerWaalsContact CD2-NZ 3.3Å; L351-K355 WeakPolarHBondContact O-CG 3.49Å; L351-K355 PolarHBondContact O-N 2.97Å; N352-K355 PolarHBondContact O-N 3.43Å; N352-K355 PolarHBondContact OD1-NZ 2.9Å; K355-V358 PolarHBondContact O-N 2.88Å; K355-Q359 WeakPolarHBondContact O-CB 3.26Å; K355-Q359 PolarHBondContact O-N 3.22Å
356Q76.5Confident71.7Confident109 Ų10991.6 Ų91.651%0.50947%0.468SS..Hα-helixtrans-67.5-39.3179.5-166.3176.733.300112.2N352 H353 L354 Q359 Q360N352-Q356 WeakPolarHBondContact O-CB 3.34Å; N352-Q356 PolarHBondContact O-N 2.96Å; H353-Q356 WeakPolarHBondContact O-CB 3.45Å; H353-Q356 PolarHBondContact O-N 3.47Å; L354-Q356 VanDerWaalsContact C-N 3.31Å; L354-Q356 PolarHBondContact O-N 2.83Å; Q356-Q359 PolarHBondContact O-N 3.12Å; Q356-Q360 WeakPolarHBondContact O-CB 3.34Å; Q356-Q360 WeakPolarHBondContact O-CG 3.43Å; Q356-Q360 PolarHBondContact O-N 3.4Å
357Q80.3Confident71.4Confident80 Ų8094.8 Ų94.837%0.37448%0.477SS..Hα-helixtrans-63.1-45.3171.6-72.1-174.611.800111.5H353 L354 Q359 Q360 L361H353-Q357 PolarHBondContact CD2-NE2 3.03Å; H353-Q357 PolarHBondContact NE2-NE2 3.04Å; H353-Q357 WeakPolarHBondContact O-CG 3.43Å; H353-Q357 PolarHBondContact O-N 2.97Å; L354-Q357 PolarHBondContact O-N 3.01Å; Q357-Q359 VanDerWaalsContact C-N 3.33Å; Q357-Q359 PolarHBondContact O-N 2.92Å; Q357-Q360 PolarHBondContact O-N 2.99Å; Q357-L361 WeakPolarHBondContact O-CB 3.44Å; Q357-L361 VanDerWaalsContact O-CG 3.27Å; Q357-L361 WeakPolarHBondContact O-CG 3.43Å; Q357-L361 PolarHBondContact O-N 3.09Å
358V77.6Confident71Confident75 Ų7591.5 Ų91.546%0.45548%0.476SS..Hα-helixtrans-60.7-42.1175.9167.90000111L354 K355 L361 Q362L354-V358 WeakPolarHBondContact O-CB 3.37Å; L354-V358 VanDerWaalsContact O-CG2 3.32Å; L354-V358 WeakPolarHBondContact O-CG2 3.1Å; L354-V358 PolarHBondContact O-N 3.34Å; K355-V358 PolarHBondContact O-N 2.88Å; V358-L361 PolarHBondContact O-N 2.95Å; V358-Q362 WeakPolarHBondContact O-CB 3.27Å; V358-Q362 VanDerWaalsContact O-CG 3.27Å; V358-Q362 WeakPolarHBondContact O-CG 3.42Å; V358-Q362 PolarHBondContact O-N 2.84Å
359Q74.8Confident70.3Confident127 Ų12797.3 Ų97.359%0.59350%0.502SS*.Hα-helixtrans-67.1-40.2176.7-166.4176.518.600112.1K355 Q356 Q357 Q362 V363K355-Q359 WeakPolarHBondContact O-CB 3.26Å; K355-Q359 PolarHBondContact O-N 3.22Å; Q356-Q359 PolarHBondContact O-N 3.12Å; Q357-Q359 VanDerWaalsContact C-N 3.33Å; Q357-Q359 PolarHBondContact O-N 2.92Å; Q359-Q362 PolarHBondContact O-N 3.08Å; Q359-V363 WeakPolarHBondContact O-CG2 3.43Å; Q359-V363 PolarHBondContact O-N 3.13Å
360Q77.1Confident69.3Low115 Ų11597.9 Ų97.954%0.53751%0.512SS..Hα-helixtrans-63.7-41.5172.6-77.5178.9-14.600111.9Q356 Q357 V363 L364Q356-Q360 WeakPolarHBondContact O-CB 3.34Å; Q356-Q360 WeakPolarHBondContact O-CG 3.43Å; Q356-Q360 PolarHBondContact O-N 3.4Å; Q357-Q360 PolarHBondContact O-N 2.99Å; Q360-V363 PolarHBondContact O-N 3.2Å; Q360-L364 WeakPolarHBondContact O-CB 3.44Å; Q360-L364 VanDerWaalsContact O-CG 3.29Å; Q360-L364 WeakPolarHBondContact O-CG 3.41Å; Q360-L364 PolarHBondContact O-N 3.17Å
361L77.6Confident68.4Low102 Ų10295.7 Ų95.753%0.53452%0.523SS..Hα-helixtrans-66.1-37.7175.4-72.7166.9000111.7Q357 V358 L364 L365Q357-L361 WeakPolarHBondContact O-CB 3.44Å; Q357-L361 VanDerWaalsContact O-CG 3.27Å; Q357-L361 WeakPolarHBondContact O-CG 3.43Å; Q357-L361 PolarHBondContact O-N 3.09Å; V358-L361 PolarHBondContact O-N 2.95Å; L361-L364 PolarHBondContact O-N 3.32Å; L361-L365 VanDerWaalsContact O-CB 3.3Å; L361-L365 WeakPolarHBondContact O-CB 3.48Å; L361-L365 WeakPolarHBondContact O-CD1 3.25Å; L361-L365 WeakPolarHBondContact O-CG 3.43Å; L361-L365 PolarHBondContact O-N 3.4Å
362Q72.1Confident67Low114 Ų11498 Ų9853%0.53354%0.54SS..Hα-helixtrans-64.3-42.3172.5-75.7169.9-7.900112V358 Q359 L365 L366V358-Q362 WeakPolarHBondContact O-CB 3.27Å; V358-Q362 VanDerWaalsContact O-CG 3.27Å; V358-Q362 WeakPolarHBondContact O-CG 3.42Å; V358-Q362 PolarHBondContact O-N 2.84Å; Q359-Q362 PolarHBondContact O-N 3.08Å; Q362-L365 PolarHBondContact O-N 3.34Å; Q362-L366 WeakPolarHBondContact O-CB 3.23Å; Q362-L366 WeakPolarHBondContact O-CG 3.5Å; Q362-L366 PolarHBondContact O-N 2.97Å
363V71.4Confident65.6Low68 Ų68102.4 Ų102.441%0.41256%0.563SS.*Hα-helixtrans-66.3-42.4174.9170.10000111.4Q359 Q360 L365 L366 Q367Q359-V363 WeakPolarHBondContact O-CG2 3.43Å; Q359-V363 PolarHBondContact O-N 3.13Å; Q360-V363 PolarHBondContact O-N 3.2Å; V363-L365 VanDerWaalsContact C-N 3.34Å; V363-L365 PolarHBondContact O-N 3.42Å; V363-L366 WeakPolarHBondContact O-CB 3.38Å; V363-L366 PolarHBondContact O-N 3.03Å; V363-Q367 WeakPolarHBondContact O-CB 3.35Å; V363-Q367 VanDerWaalsContact O-CG 3.31Å; V363-Q367 WeakPolarHBondContact O-CG 3.33Å; V363-Q367 PolarHBondContact O-N 3.03Å
364L74.3Confident64.2Low97 Ų97104.3 Ų104.351%0.50858%0.583SS.*Hα-helixtrans-65.1-36175-76.1165.8000112Q360 L361 Q367 A368Q360-L364 WeakPolarHBondContact O-CB 3.44Å; Q360-L364 VanDerWaalsContact O-CG 3.29Å; Q360-L364 WeakPolarHBondContact O-CG 3.41Å; Q360-L364 PolarHBondContact O-N 3.17Å; L361-L364 PolarHBondContact O-N 3.32Å; L364-Q367 PolarHBondContact O-N 3.04Å; L364-A368 WeakPolarHBondContact O-CB 3.38Å; L364-A368 PolarHBondContact O-N 3.34Å
365L69.4Low62.5Low98 Ų98103 Ų10351%0.51359%0.592SS.*Hα-helixtrans-66.9-42.8172.4-76.4165.2000111.4L361 Q362 V363 Q367 A368 H369L361-L365 VanDerWaalsContact O-CB 3.3Å; L361-L365 WeakPolarHBondContact O-CB 3.48Å; L361-L365 WeakPolarHBondContact O-CD1 3.25Å; L361-L365 WeakPolarHBondContact O-CG 3.43Å; L361-L365 PolarHBondContact O-N 3.4Å; Q362-L365 PolarHBondContact O-N 3.34Å; V363-L365 VanDerWaalsContact C-N 3.34Å; V363-L365 PolarHBondContact O-N 3.42Å; L365-Q367 VanDerWaalsContact C-N 3.3Å; L365-Q367 PolarHBondContact O-N 3.13Å; L365-A368 PolarHBondContact O-N 2.65Å; L365-H369 WeakPolarHBondContact O-CB 3.22Å; L365-H369 PolarHBondContact O-N 3.09Å; L365-H369 PolarHBondContact O-ND1 3.43Å
366L63.8Low60.9Low128 Ų128103.8 Ų103.867%0.6761%0.609SS**Hα-helixtrans-60.9-37.2173.6-82.9160000112.6Q362 V363Q362-L366 WeakPolarHBondContact O-CB 3.23Å; Q362-L366 WeakPolarHBondContact O-CG 3.5Å; Q362-L366 PolarHBondContact O-N 2.97Å; V363-L366 WeakPolarHBondContact O-CB 3.38Å; V363-L366 PolarHBondContact O-N 3.03Å
367Q60.1Low59.2Low131 Ų131106 Ų10661%0.61262%0.623SS**Hα-helixtrans-73.1-44.6175.6-72.3171.1-13.600111.9V363 L364 L365 H369 G370V363-Q367 WeakPolarHBondContact O-CB 3.35Å; V363-Q367 VanDerWaalsContact O-CG 3.31Å; V363-Q367 WeakPolarHBondContact O-CG 3.33Å; V363-Q367 PolarHBondContact O-N 3.03Å; L364-Q367 PolarHBondContact O-N 3.04Å; L365-Q367 VanDerWaalsContact C-N 3.3Å; L365-Q367 PolarHBondContact O-N 3.13Å; Q367-H369 VanDerWaalsContact C-N 3.34Å; Q367-H369 PolarHBondContact O-N 2.72Å; Q367-G370 PolarHBondContact O-N 3.34Å; Q367-G370 VanDerWaalsContact O-N 3.15Å
368A57.8Low57.5Low84 Ų84109.7 Ų109.769%0.69465%0.645SS**Hα-helixtrans-69.8-27.2179.600000113.5L364 L365 G370L364-A368 WeakPolarHBondContact O-CB 3.38Å; L364-A368 PolarHBondContact O-N 3.34Å; L365-A368 PolarHBondContact O-N 2.65Å; A368-G370 VanDerWaalsContact C-N 3.26Å; A368-G370 PolarHBondContact O-N 3.08Å
369H51.4Low55.9Low131 Ų131112.8 Ų112.861%0.60666%0.664SS**THydrogen-bonded Turntrans-86.712.6172.3-68.478.1000113.2L365 Q367 G371 T372L365-H369 WeakPolarHBondContact O-CB 3.22Å; L365-H369 PolarHBondContact O-N 3.09Å; L365-H369 PolarHBondContact O-ND1 3.43Å; Q367-H369 VanDerWaalsContact C-N 3.34Å; Q367-H369 PolarHBondContact O-N 2.72Å; H369-G371 VanDerWaalsContact C-N 3.35Å; H369-G371 PolarHBondContact O-N 3.17Å; H369-T372 PolarHBondContact O-OG1 2.92Å
370G45.1Very low54.3Low57 Ų57115.2 Ų115.259%0.58868%0.675SS**THydrogen-bonded Turntrans61.235.4160.900000115.5Q367 A368 T372Q367-G370 PolarHBondContact O-N 3.34Å; Q367-G370 VanDerWaalsContact O-N 3.15Å; A368-G370 VanDerWaalsContact C-N 3.26Å; A368-G370 PolarHBondContact O-N 3.08Å; G370-T372 PolarHBondContact O-N 2.83Å
371G48.8Very low52.7Low76 Ų76115.7 Ų115.778%0.78469%0.688SS**THydrogen-bonded Turntrans64.514.4168.200000116.9H369 L373H369-G371 VanDerWaalsContact C-N 3.35Å; H369-G371 PolarHBondContact O-N 3.17Å; G371-L373 PolarHBondContact O-N 2.84Å
372T37.3Very low51.2Low120 Ų120114.7 Ų114.774%0.73669%0.69SS**  trans-91.3105.7-177.736.40000113H369 G370H369-T372 PolarHBondContact O-OG1 2.92Å; G370-T372 PolarHBondContact O-N 2.83Å
373L41.3Very low50.3Low157 Ų157117.8 Ų117.882%0.82270%0.704SS**  trans-63.5149.3141.7-85.4149.9000108.4G371 G375G371-L373 PolarHBondContact O-N 2.84Å; L373-G375 VanDerWaalsContact C-N 3.32Å; L373-G375 PolarHBondContact O-N 3.06Å
374P43.7Very low49.5Very low138 Ų138120 Ų12090%0.89671%0.714SS**SBendtrans-73.383.2-17930-34.8000111.2
375G40.5Very low48.5Very low63 Ų63120.7 Ų120.765%0.64972%0.718SS**  trans-171.7101.4-178.900000115.6L373L373-G375 VanDerWaalsContact C-N 3.32Å; L373-G375 PolarHBondContact O-N 3.06Å
376S39.1Very low48Very low110 Ų110123.1 Ų123.177%0.76973%0.726SS**  trans71.6122.1155.2-74.20000122.1
377I40Very low48.1Very low154 Ų154120.2 Ų120.279%0.7972%0.717SS**  trans85.4131.1139.5-62.1164.1000118.3
378N44.7Very low48.2Very low158 Ų158118.6 Ų118.685%0.84571%0.712SS**  trans-78.7140.1-179.3-47.3-38.8000112.2
379V42.7Very low48.5Very low141 Ų141120.5 Ų120.586%0.85571%0.708SS**  trans-144136.8152.6-171.70000107.9
380E41.3Very low49.4Very low178 Ų178120.9 Ų120.983%0.83271%0.71SS**PPolyproline II helixtrans-77.1151.6175.7-70.5-171.4135.600112.3S382E380-S382 PolarHBondContact O-N 3.45Å
381P45.3Very low50.7Low124 Ų124124.8 Ų124.881%0.80571%0.711SS**PPolyproline II helixtrans-72.5117.7179.529.3-34.1000111.9
382S46.1Very low51.4Low82 Ų82125.8 Ų125.857%0.57370%0.698SS**PPolyproline II helixtrans-72.3137.9175.2-179.90000112.3E380 N384 L385E380-S382 PolarHBondContact O-N 3.45Å; S382-N384 PolarHBondContact O-N 3.02Å; S382-L385 PolarHBondContact O-N 3.09Å
383E52Low53Low178 Ų178126 Ų12683%0.83269%0.69SS**THydrogen-bonded Turntrans-49.5-27.6178.8-58.6176.8126.700114.1L385 Q386 S387E383-L385 PolarHBondContact O-N 3.18Å; E383-Q386 PolarHBondContact O-N 3.01Å; E383-Q386 VanDerWaalsContact O-N 3.09Å; E383-S387 PolarHBondContact O-N 3.08Å
384N55.4Low54.6Low116 Ų116121.6 Ų121.662%0.6267%0.673SS**Hα-helixtrans-52.3-35.7176.4-112-30.4000113.4S382 Q386 L388S382-N384 PolarHBondContact O-N 3.02Å; N384-Q386 VanDerWaalsContact C-N 3.35Å; N384-Q386 PolarHBondContact O-N 3.34Å; N384-L388 WeakPolarHBondContact O-CB 3.38Å; N384-L388 PolarHBondContact O-N 3.26Å
385L52.4Low56Low110 Ų110119.1 Ų119.158%0.57665%0.652SS**Hα-helixtrans-66.8-37.7-179.1-176.261.1000111.7S382 E383 L388 M389S382-L385 PolarHBondContact O-N 3.09Å; E383-L385 PolarHBondContact O-N 3.18Å; L385-L388 WeakPolarHBondContact O-CB 3.29Å; L385-L388 PolarHBondContact O-N 2.89Å; L385-M389 WeakPolarHBondContact O-CG 3.44Å; L385-M389 PolarHBondContact O-N 3.07Å
386Q59.5Low57.6Low149 Ų149120.2 Ų120.270%0.69665%0.646SS**Hα-helixtrans-74.5-37.8-177.7-163.7155.9-10.800111.4E383 N384 L388 M389 E390E383-Q386 PolarHBondContact O-N 3.01Å; E383-Q386 VanDerWaalsContact O-N 3.09Å; N384-Q386 VanDerWaalsContact C-N 3.35Å; N384-Q386 PolarHBondContact O-N 3.34Å; Q386-L388 VanDerWaalsContact C-N 3.33Å; Q386-L388 PolarHBondContact O-N 3.29Å; Q386-M389 PolarHBondContact O-N 2.77Å; Q386-M389 VanDerWaalsContact O-N 3.16Å; Q386-E390 PolarHBondContact O-N 2.74Å; Q386-E390 VanDerWaalsContact O-N 3.12Å
387S65.1Low59.3Low67 Ų67120.6 Ų120.647%0.46964%0.636SS.*Hα-helixtrans-61.3-40.1169.1-173.20000112.2E383 M389 E390 K391E383-S387 PolarHBondContact O-N 3.08Å; S387-M389 VanDerWaalsContact C-N 3.29Å; S387-M389 PolarHBondContact O-N 3.31Å; S387-E390 PolarHBondContact O-N 3.49Å; S387-K391 VanDerWaalsContact O-CB 3.28Å; S387-K391 WeakPolarHBondContact O-CB 3.32Å; S387-K391 PolarHBondContact O-N 3.32Å
388L62.3Low61.1Low98 Ų98118.7 Ų118.751%0.51362%0.623SS.*Hα-helixtrans-63.8-31.4174-88.1161.7000113N384 L385 Q386 N392N384-L388 WeakPolarHBondContact O-CB 3.38Å; N384-L388 PolarHBondContact O-N 3.26Å; L385-L388 WeakPolarHBondContact O-CB 3.29Å; L385-L388 PolarHBondContact O-N 2.89Å; Q386-L388 VanDerWaalsContact C-N 3.33Å; Q386-L388 PolarHBondContact O-N 3.29Å; L388-N392 PolarHBondContact O-N 2.94Å; L388-N392 PolarHBondContact O-ND2 3.5Å
389M64.3Low62.2Low123 Ų123115.9 Ų115.961%0.60661%0.608SS**Hα-helixtrans-71.6-48.3175.4-71.5177.769.600112.2L385 Q386 S387 K391 N392 Q393L385-M389 WeakPolarHBondContact O-CG 3.44Å; L385-M389 PolarHBondContact O-N 3.07Å; Q386-M389 PolarHBondContact O-N 2.77Å; Q386-M389 VanDerWaalsContact O-N 3.16Å; S387-M389 VanDerWaalsContact C-N 3.29Å; S387-M389 PolarHBondContact O-N 3.31Å; M389-K391 VanDerWaalsContact C-N 3.26Å; M389-K391 PolarHBondContact O-N 2.88Å; M389-N392 PolarHBondContact O-N 3.32Å; M389-Q393 WeakPolarHBondContact O-CB 3.33Å; M389-Q393 PolarHBondContact O-N 3.46Å
390E70.3Confident63.7Low139 Ų139114 Ų11465%0.6559%0.59SS**Hα-helixtrans-58.7-39.4174.1-75.2-172.1137.800112.1Q386 S387 Q393 S394Q386-E390 PolarHBondContact O-N 2.74Å; Q386-E390 VanDerWaalsContact O-N 3.12Å; S387-E390 PolarHBondContact O-N 3.49Å; E390-Q393 PolarHBondContact O-N 2.96Å; E390-S394 PolarHBondContact O-N 3.28Å; E390-S394 PolarHBondContact O-OG 3.4Å
391K72.6Confident65.5Low139 Ų139112.8 Ų112.860%0.60458%0.582SS**Hα-helixtrans-70-32179.4-157.7164.5-170.8172.70113S387 M389 S394 L395S387-K391 VanDerWaalsContact O-CB 3.28Å; S387-K391 WeakPolarHBondContact O-CB 3.32Å; S387-K391 PolarHBondContact O-N 3.32Å; M389-K391 VanDerWaalsContact C-N 3.26Å; M389-K391 PolarHBondContact O-N 2.88Å; K391-S394 WeakPolarHBondContact CA-OG 3.2Å; K391-S394 PolarHBondContact O-OG 2.84Å; K391-L395 WeakPolarHBondContact O-CB 3.46Å; K391-L395 WeakPolarHBondContact O-CD1 3.3Å; K391-L395 VanDerWaalsContact O-CG 3.24Å; K391-L395 WeakPolarHBondContact O-CG 3.42Å; K391-L395 PolarHBondContact O-N 3.1Å
392N63Low67Low97 Ų97112.3 Ų112.352%0.51957%0.572SS.*Hα-helixtrans-70.1-42.3167.7-86.5-84.5000111.8L388 M389 S394 L395 V396L388-N392 PolarHBondContact O-N 2.94Å; L388-N392 PolarHBondContact O-ND2 3.5Å; M389-N392 PolarHBondContact O-N 3.32Å; N392-S394 PolarHBondContact O-N 3.43Å; N392-L395 PolarHBondContact O-N 3.37Å; N392-V396 WeakPolarHBondContact O-CG2 3.48Å; N392-V396 PolarHBondContact O-N 2.93Å
393Q72.3Confident68.2Low124 Ų124111.9 Ų111.958%0.57957%0.569SS**Hα-helixtrans-62.8-44.8-177-172.6166.2-11.900112.1M389 E390 V396 E397M389-Q393 WeakPolarHBondContact O-CB 3.33Å; M389-Q393 PolarHBondContact O-N 3.46Å; E390-Q393 PolarHBondContact O-N 2.96Å; Q393-V396 WeakPolarHBondContact O-CB 3.49Å; Q393-V396 PolarHBondContact O-N 2.88Å; Q393-E397 PolarHBondContact O-N 3.12Å
394S74.3Confident69.4Low65 Ų65109.3 Ų109.346%0.45555%0.552SS.*Hα-helixtrans-62.4-41.3173.143.30000113.4E390 K391 N392 V396 E397 E398E390-S394 PolarHBondContact O-N 3.28Å; E390-S394 PolarHBondContact O-OG 3.4Å; K391-S394 WeakPolarHBondContact CA-OG 3.2Å; K391-S394 PolarHBondContact O-OG 2.84Å; N392-S394 PolarHBondContact O-N 3.43Å; S394-V396 VanDerWaalsContact C-N 3.29Å; S394-V396 PolarHBondContact O-N 3Å; S394-E397 PolarHBondContact O-N 2.86Å; S394-E398 PolarHBondContact O-N 2.85Å
395L72.3Confident70.5Confident86 Ų86105.4 Ų105.445%0.4554%0.539SS..Hα-helixtrans-66.4-28.6173.9-74171.4000113.1K391 N392 N399K391-L395 WeakPolarHBondContact O-CB 3.46Å; K391-L395 WeakPolarHBondContact O-CD1 3.3Å; K391-L395 VanDerWaalsContact O-CG 3.24Å; K391-L395 WeakPolarHBondContact O-CG 3.42Å; K391-L395 PolarHBondContact O-N 3.1Å; N392-L395 PolarHBondContact O-N 3.37Å; L395-N399 WeakPolarHBondContact O-CB 3.36Å; L395-N399 PolarHBondContact O-N 3.21Å; L395-N399 PolarHBondContact O-ND2 2.88Å
396V75.7Confident71.4Confident86 Ų86106.3 Ų106.352%0.52154%0.544SS..Hα-helixtrans-71.5-46.3172.7167.50000110.9N392 Q393 S394 E398 N399 E400N392-V396 WeakPolarHBondContact O-CG2 3.48Å; N392-V396 PolarHBondContact O-N 2.93Å; Q393-V396 WeakPolarHBondContact O-CB 3.49Å; Q393-V396 PolarHBondContact O-N 2.88Å; S394-V396 VanDerWaalsContact C-N 3.29Å; S394-V396 PolarHBondContact O-N 3Å; V396-E398 VanDerWaalsContact C-N 3.3Å; V396-E398 PolarHBondContact O-N 3.19Å; V396-N399 PolarHBondContact O-N 3.16Å; V396-E400 PolarHBondContact O-N 2.85Å
397E74.1Confident71.8Confident119 Ų119103.3 Ų103.356%0.55654%0.54SS*.Hα-helixtrans-60.2-38.7176-71.9-177.6-167.600112.3Q393 S394 K401Q393-E397 PolarHBondContact O-N 3.12Å; S394-E397 PolarHBondContact O-N 2.86Å; E397-K401 WeakPolarHBondContact O-CB 3.48Å; E397-K401 PolarHBondContact O-N 2.85Å
398E77.7Confident72.2Confident114 Ų114106.1 Ų106.153%0.53355%0.545SS..Hα-helixtrans-68.4-43.1174.9-172.2161.3-129.300112.3S394 V396 E400 K401 L402S394-E398 PolarHBondContact O-N 2.85Å; V396-E398 VanDerWaalsContact C-N 3.3Å; V396-E398 PolarHBondContact O-N 3.19Å; E398-E400 PolarHBondContact O-N 2.93Å; E398-K401 WeakPolarHBondContact O-CB 3.36Å; E398-K401 PolarHBondContact O-N 3.46Å; E398-K401 VanDerWaalsContact O-N 3.14Å; E398-L402 HydrophobicContact CG-CD1 4.2Å; E398-L402 WeakPolarHBondContact O-CG 3.23Å; E398-L402 PolarHBondContact O-N 2.93Å
399N67.8Low72.3Confident98 Ų98103.7 Ų103.752%0.52454%0.539SS..Hα-helixtrans-60.9-41.4173.7-92.6-79.9000112.6L395 V396 K401 S403L395-N399 WeakPolarHBondContact O-CB 3.36Å; L395-N399 PolarHBondContact O-N 3.21Å; L395-N399 PolarHBondContact O-ND2 2.88Å; V396-N399 PolarHBondContact O-N 3.16Å; N399-K401 VanDerWaalsContact C-N 3.32Å; N399-K401 PolarHBondContact O-N 3.46Å; N399-S403 VanDerWaalsContact O-CB 3.26Å; N399-S403 WeakPolarHBondContact O-CB 3.39Å; N399-S403 PolarHBondContact O-N 3.07Å; N399-S403 PolarHBondContact O-OG 3.14Å
400E74.8Confident72.3Confident101 Ų101100.6 Ų100.647%0.47253%0.533SS..Hα-helixtrans-63.1-40.5173.6-72.2-160.4159.400111.8V396 E398 S403 R404V396-E400 PolarHBondContact O-N 2.85Å; E398-E400 PolarHBondContact O-N 2.93Å; E400-S403 PolarHBondContact O-N 3.1Å; E400-R404 WeakPolarHBondContact O-CB 3.29Å; E400-R404 WeakPolarHBondContact O-CG 3.48Å; E400-R404 PolarHBondContact O-N 3.4Å; E400-R404 PolarHBondContact O-NE 2.96Å; E400-R404 IonicContact OE2-CZ 2.78Å; E400-R404 IonicContact OE2-NH1 2.98Å; E400-R404 PolarHBondContact OE2-NH1 3.34Å; E400-R404 IonicContact OE2-NH2 3.4Å; E400-R404 PolarHBondContact OE2-NH2 2.82Å; E400-R404 VanDerWaalsContact OE2-NH2 3.11Å
401K79Confident72.2Confident153 Ų15395.6 Ų95.667%0.66552%0.519SS*.Hα-helixtrans-65.5-42.2-179.4-169.8179.4179.4-174.50111.5E397 E398 N399 G405E397-K401 WeakPolarHBondContact O-CB 3.48Å; E397-K401 PolarHBondContact O-N 2.85Å; E398-K401 WeakPolarHBondContact O-CB 3.36Å; E398-K401 PolarHBondContact O-N 3.46Å; E398-K401 VanDerWaalsContact O-N 3.14Å; N399-K401 VanDerWaalsContact C-N 3.32Å; N399-K401 PolarHBondContact O-N 3.46Å; K401-G405 PolarHBondContact O-N 3.25Å; K401-G405 VanDerWaalsContact O-N 3.14Å
402L75.5Confident72.2Confident115 Ų11595.2 Ų95.260%0.60252%0.519SS*.Hα-helixtrans-65.6-42.3172.4-68.8169.6000111.7E398 R404 G405 L406E398-L402 HydrophobicContact CG-CD1 4.2Å; E398-L402 WeakPolarHBondContact O-CG 3.23Å; E398-L402 PolarHBondContact O-N 2.93Å; L402-R404 PolarHBondContact O-N 3Å; L402-G405 PolarHBondContact O-N 2.8Å; L402-L406 WeakPolarHBondContact O-CB 3.43Å; L402-L406 PolarHBondContact O-N 2.82Å
403S72.6Confident72.1Confident73 Ų7394.5 Ų94.551%0.5152%0.518SS..Hα-helixtrans-62.8-39.6177.4-60.90000112.6N399 E400 S407N399-S403 VanDerWaalsContact O-CB 3.26Å; N399-S403 WeakPolarHBondContact O-CB 3.39Å; N399-S403 PolarHBondContact O-N 3.07Å; N399-S403 PolarHBondContact O-OG 3.14Å; E400-S403 PolarHBondContact O-N 3.1Å; S403-S407 WeakPolarHBondContact O-CB 3.07Å; S403-S407 PolarHBondContact O-N 3.02Å
404R76.9Confident71.8Confident123 Ų12391.2 Ų91.246%0.46451%0.513SS..Hα-helixtrans-61.3-51172.4-77.2179.4-77.5-105.5-0111.2E400 L402 L406 S407 E408E400-R404 WeakPolarHBondContact O-CB 3.29Å; E400-R404 WeakPolarHBondContact O-CG 3.48Å; E400-R404 PolarHBondContact O-N 3.4Å; E400-R404 PolarHBondContact O-NE 2.96Å; E400-R404 IonicContact OE2-CZ 2.78Å; E400-R404 IonicContact OE2-NH1 2.98Å; E400-R404 PolarHBondContact OE2-NH1 3.34Å; E400-R404 IonicContact OE2-NH2 3.4Å; E400-R404 PolarHBondContact OE2-NH2 2.82Å; E400-R404 VanDerWaalsContact OE2-NH2 3.11Å; L402-R404 PolarHBondContact O-N 3Å; R404-L406 VanDerWaalsContact C-N 3.34Å; R404-L406 PolarHBondContact O-N 3.5Å; R404-S407 PolarHBondContact O-N 3.34Å; R404-S407 VanDerWaalsContact O-N 3.16Å; R404-E408 WeakPolarHBondContact O-CG 2.91Å; R404-E408 PolarHBondContact O-N 2.87Å
405G77.4Confident71.5Confident35 Ų3594.5 Ų94.536%0.36152%0.521SS..Hα-helixtrans-60.3-39.7178.300000113.6K401 L402 E408 A409K401-G405 PolarHBondContact O-N 3.25Å; K401-G405 VanDerWaalsContact O-N 3.14Å; L402-G405 PolarHBondContact O-N 2.8Å; G405-E408 PolarHBondContact O-N 2.89Å; G405-A409 WeakPolarHBondContact O-CB 3.31Å; G405-A409 PolarHBondContact O-N 2.73Å
406L71.9Confident71.4Confident129 Ų12996.4 Ų96.468%0.67553%0.529SS*.Hα-helixtrans-65-41175.1-173.466.9000111.9L402 R404 A409 A410L402-L406 WeakPolarHBondContact O-CB 3.43Å; L402-L406 PolarHBondContact O-N 2.82Å; R404-L406 VanDerWaalsContact C-N 3.34Å; R404-L406 PolarHBondContact O-N 3.5Å; L406-A409 PolarHBondContact O-N 3.1Å; L406-A410 WeakPolarHBondContact O-CB 3.48Å; L406-A410 PolarHBondContact O-N 3.25Å
407S67.7Low71Confident86 Ų8697 Ų9760%0.60153%0.528SS*.Hα-helixtrans-66.4-37.8176.3-169.60000112.6S403 R404 G411S403-S407 WeakPolarHBondContact O-CB 3.07Å; S403-S407 PolarHBondContact O-N 3.02Å; R404-S407 PolarHBondContact O-N 3.34Å; R404-S407 VanDerWaalsContact O-N 3.16Å; S407-G411 PolarHBondContact O-N 2.88Å
408E73.3Confident70.6Confident126 Ų12696.5 Ų96.559%0.58953%0.526SS*.Hα-helixtrans-67.8-44175.9-73.4172-16500111.3R404 G405 G411 Q412R404-E408 WeakPolarHBondContact O-CG 2.91Å; R404-E408 PolarHBondContact O-N 2.87Å; G405-E408 PolarHBondContact O-N 2.89Å; E408-G411 PolarHBondContact O-N 2.65Å; E408-Q412 WeakPolarHBondContact O-CG 3.34Å; E408-Q412 PolarHBondContact O-N 3.43Å
409A65.9Low70.3Confident47 Ų47100.4 Ų100.439%0.38854%0.536SS..Hα-helixtrans-62.6-45.7175.400000112.1G405 L406 G411 Q412 T413G405-A409 WeakPolarHBondContact O-CB 3.31Å; G405-A409 PolarHBondContact O-N 2.73Å; L406-A409 PolarHBondContact O-N 3.1Å; A409-G411 VanDerWaalsContact C-N 3.32Å; A409-G411 PolarHBondContact O-N 3.36Å; A409-Q412 PolarHBondContact O-N 2.88Å; A409-T413 PolarHBondContact O-N 3.16Å; A409-T413 PolarHBondContact O-OG1 2.9Å; A409-T413 VanDerWaalsContact O-OG1 3.04Å
410A64.1Low70.4Confident57 Ų5799.3 Ų99.347%0.47153%0.529SS..Hα-helixtrans-60.9-39.8175.900000112.2L406 T413 A414L406-A410 WeakPolarHBondContact O-CB 3.48Å; L406-A410 PolarHBondContact O-N 3.25Å; A410-T413 PolarHBondContact O-N 3.42Å; A410-A414 WeakPolarHBondContact O-CB 3.47Å; A410-A414 PolarHBondContact O-N 3.37Å
411G67.3Low70.4Confident34 Ų3498.5 Ų98.535%0.35153%0.527SS..Hα-helixtrans-62.3-40.9174.400000113.2S407 E408 A409 A414 Q415S407-G411 PolarHBondContact O-N 2.88Å; E408-G411 PolarHBondContact O-N 2.65Å; A409-G411 VanDerWaalsContact C-N 3.32Å; A409-G411 PolarHBondContact O-N 3.36Å; G411-A414 PolarHBondContact O-N 2.87Å; G411-Q415 WeakPolarHBondContact O-CG 3.45Å; G411-Q415 PolarHBondContact O-N 2.85Å
412Q72.2Confident70Confident132 Ų13296.4 Ų96.462%0.61752%0.523SS*.Hα-helixtrans-66.1-41.3174.8-68.9171.725.200111.9E408 A409 Q415 M416E408-Q412 WeakPolarHBondContact O-CG 3.34Å; E408-Q412 PolarHBondContact O-N 3.43Å; A409-Q412 PolarHBondContact O-N 2.88Å; Q412-Q415 PolarHBondContact O-N 3.23Å; Q412-M416 PolarHBondContact O-N 3.29Å
413T62.7Low69.6Low81 Ų8194.7 Ų94.750%0.49752%0.517SS..Hα-helixtrans-64.4-40.7175.4-50.50000111.8A409 A410 M416 L417A409-T413 PolarHBondContact O-N 3.16Å; A409-T413 PolarHBondContact O-OG1 2.9Å; A409-T413 VanDerWaalsContact O-OG1 3.04Å; A410-T413 PolarHBondContact O-N 3.42Å; T413-M416 PolarHBondContact O-N 3.45Å; T413-L417 HydrophobicContact CG2-CD1 4.26Å; T413-L417 WeakPolarHBondContact O-CG 3.48Å; T413-L417 PolarHBondContact O-N 3.08Å
414A65.3Low69.3Low56 Ų5696.5 Ų96.546%0.46352%0.518SS..Hα-helixtrans-61.8-44.6175.400000112.1A410 G411 M416 L417 E418A410-A414 WeakPolarHBondContact O-CB 3.47Å; A410-A414 PolarHBondContact O-N 3.37Å; G411-A414 PolarHBondContact O-N 2.87Å; A414-M416 VanDerWaalsContact C-N 3.32Å; A414-M416 PolarHBondContact O-N 2.85Å; A414-L417 PolarHBondContact O-N 3.17Å; A414-E418 WeakPolarHBondContact O-CB 3.29Å; A414-E418 PolarHBondContact O-N 3.01Å
415Q68.6Low68.9Low134 Ų13494.5 Ų94.563%0.62651%0.513SS*.Hα-helixtrans-63.3-35.7175.1-73177.4200112.7G411 Q412 R419G411-Q415 WeakPolarHBondContact O-CG 3.45Å; G411-Q415 PolarHBondContact O-N 2.85Å; Q412-Q415 PolarHBondContact O-N 3.23Å; Q415-R419 WeakPolarHBondContact O-CB 3.34Å; Q415-R419 PolarHBondContact O-N 2.81Å; Q415-R419 VanDerWaalsContact O-N 3.08Å
416M70.1Confident68.5Low126 Ų12695.2 Ų95.262%0.62152%0.516SS*.Hα-helixtrans-66.4-44.3175-178.4171171.600111.8Q412 T413 A414 R419 I420Q412-M416 PolarHBondContact O-N 3.29Å; T413-M416 PolarHBondContact O-N 3.45Å; A414-M416 VanDerWaalsContact C-N 3.32Å; A414-M416 PolarHBondContact O-N 2.85Å; M416-R419 PolarHBondContact O-N 3.31Å; M416-I420 HydrophobicContact CE-CD1 4.2Å; M416-I420 HydrophobicContact CG-CD1 4.09Å; M416-I420 WeakPolarHBondContact O-CG1 3.41Å; M416-I420 PolarHBondContact O-N 2.84Å
417L66Low68Low97 Ų9793.3 Ų93.351%0.50851%0.507SS..Hα-helixtrans-65.8-43176.8-69.7169.1000112.2T413 A414 R419 I420 I421T413-L417 HydrophobicContact CG2-CD1 4.26Å; T413-L417 WeakPolarHBondContact O-CG 3.48Å; T413-L417 PolarHBondContact O-N 3.08Å; A414-L417 PolarHBondContact O-N 3.17Å; L417-R419 VanDerWaalsContact C-N 3.25Å; L417-R419 PolarHBondContact O-N 3.07Å; L417-I420 PolarHBondContact O-N 2.8Å; L417-I421 VanDerWaalsContact O-CG1 3.3Å; L417-I421 WeakPolarHBondContact O-CG1 3.45Å; L417-I421 PolarHBondContact O-N 2.84Å
418E65.3Low68.2Low109 Ų10994.9 Ų94.951%0.50951%0.505SS..Hα-helixtrans-57.4-40.2174.1-173.5169-136.200111.2A414 L422A414-E418 WeakPolarHBondContact O-CB 3.29Å; A414-E418 PolarHBondContact O-N 3.01Å; E418-L422 HydrophobicContact CG-CD1 4.35Å; E418-L422 WeakPolarHBondContact O-CB 3.42Å; E418-L422 VanDerWaalsContact O-CG 3.24Å; E418-L422 WeakPolarHBondContact O-CG 3.24Å; E418-L422 PolarHBondContact O-N 3.08Å
419R72.8Confident68Low197 Ų19795 Ų9574%0.74350%0.503SS*.Hα-helixtrans-67.8-41176.3-152.9175.8-158.3163.15113Q415 M416 L417 L422 T423Q415-R419 WeakPolarHBondContact O-CB 3.34Å; Q415-R419 PolarHBondContact O-N 2.81Å; Q415-R419 VanDerWaalsContact O-N 3.08Å; M416-R419 PolarHBondContact O-N 3.31Å; L417-R419 VanDerWaalsContact C-N 3.25Å; L417-R419 PolarHBondContact O-N 3.07Å; R419-L422 PolarHBondContact O-N 3.14Å; R419-T423 PolarHBondContact O-N 2.72Å; R419-T423 VanDerWaalsContact O-N 3.08Å; R419-T423 PolarHBondContact O-OG1 3.3Å
420I70Confident67.9Low74 Ų7497.9 Ų97.938%0.37951%0.51SS..Hα-helixtrans-61.7-51.6176-70.2163.6000110.1M416 L417 L422 T423 E424M416-I420 HydrophobicContact CE-CD1 4.2Å; M416-I420 HydrophobicContact CG-CD1 4.09Å; M416-I420 WeakPolarHBondContact O-CG1 3.41Å; M416-I420 PolarHBondContact O-N 2.84Å; L417-I420 PolarHBondContact O-N 2.8Å; I420-L422 VanDerWaalsContact C-N 3.28Å; I420-L422 PolarHBondContact O-N 2.75Å; I420-T423 WeakPolarHBondContact CA-OG1 3.5Å; I420-T423 PolarHBondContact O-N 2.94Å; I420-T423 PolarHBondContact O-OG1 2.99Å; I420-E424 WeakPolarHBondContact O-CB 3.13Å; I420-E424 PolarHBondContact O-N 3.48Å
421I73.1Confident67.7Low84 Ų8499.8 Ų99.843%0.43151%0.512SS..Hα-helixtrans-59.4-39.3179.8-65.1167000111.1L417 E424 Q425L417-I421 VanDerWaalsContact O-CG1 3.3Å; L417-I421 WeakPolarHBondContact O-CG1 3.45Å; L417-I421 PolarHBondContact O-N 2.84Å; I421-E424 PolarHBondContact O-N 2.93Å; I421-Q425 HydrophobicContact CG2-CG 4.39Å; I421-Q425 WeakPolarHBondContact O-CB 3.42Å; I421-Q425 VanDerWaalsContact O-CG 3.31Å; I421-Q425 WeakPolarHBondContact O-CG 3.24Å; I421-Q425 PolarHBondContact O-N 3.13Å
422L71.8Confident67.8Low109 Ų109100.7 Ų100.757%0.57152%0.516SS*.Hα-helixtrans-66.5-36.4175.6-73.9169.1000113.1E418 R419 I420 A426E418-L422 HydrophobicContact CG-CD1 4.35Å; E418-L422 WeakPolarHBondContact O-CB 3.42Å; E418-L422 VanDerWaalsContact O-CG 3.24Å; E418-L422 WeakPolarHBondContact O-CG 3.24Å; E418-L422 PolarHBondContact O-N 3.08Å; R419-L422 PolarHBondContact O-N 3.14Å; I420-L422 VanDerWaalsContact C-N 3.28Å; I420-L422 PolarHBondContact O-N 2.75Å; L422-A426 WeakPolarHBondContact O-CB 3.38Å; L422-A426 PolarHBondContact O-N 3.05Å
423T66.5Low67.6Low79 Ų79100.8 Ų100.849%0.48552%0.515SS..Hα-helixtrans-72.4-36.417347.30000112.8R419 I420 A426 N427R419-T423 PolarHBondContact O-N 2.72Å; R419-T423 VanDerWaalsContact O-N 3.08Å; R419-T423 PolarHBondContact O-OG1 3.3Å; I420-T423 WeakPolarHBondContact CA-OG1 3.5Å; I420-T423 PolarHBondContact O-N 2.94Å; I420-T423 PolarHBondContact O-OG1 2.99Å; T423-A426 WeakPolarHBondContact O-CB 3.24Å; T423-A426 PolarHBondContact O-N 3.37Å; T423-N427 PolarHBondContact O-N 3.23Å
424E65.8Low67.4Low111 Ų111101.2 Ų101.252%0.51951%0.513SS..Hα-helixtrans-65.4-49.6177.8-166.5160.7-13800110.5I420 I421 A426 N427 E428I420-E424 WeakPolarHBondContact O-CB 3.13Å; I420-E424 PolarHBondContact O-N 3.48Å; I421-E424 PolarHBondContact O-N 2.93Å; E424-A426 PolarHBondContact O-N 3.01Å; E424-A426 VanDerWaalsContact O-N 3.13Å; E424-N427 PolarHBondContact O-N 3.09Å; E424-N427 VanDerWaalsContact O-N 3.08Å; E424-E428 WeakPolarHBondContact O-CG 3.49Å; E424-E428 PolarHBondContact O-N 2.89Å
425Q68.3Low67.1Low81 Ų81101.9 Ų101.938%0.37951%0.507SS..Hα-helixtrans-63.9-15.7172.5-72.2-176.318.900114.9I421 K429I421-Q425 HydrophobicContact CG2-CG 4.39Å; I421-Q425 WeakPolarHBondContact O-CB 3.42Å; I421-Q425 VanDerWaalsContact O-CG 3.31Å; I421-Q425 WeakPolarHBondContact O-CG 3.24Å; I421-Q425 PolarHBondContact O-N 3.13Å; Q425-K429 WeakPolarHBondContact O-CD 3.44Å; Q425-K429 WeakPolarHBondContact O-CE 3.21Å; Q425-K429 VanDerWaalsContact O-CG 3.23Å; Q425-K429 WeakPolarHBondContact O-CG 3.3Å; Q425-K429 PolarHBondContact O-NZ 2.75Å; Q425-K429 VanDerWaalsContact O-NZ 3.12Å
426A70.1Confident66.8Low51 Ų51101.6 Ų101.642%0.42151%0.506SS..Hα-helixtrans-83.4-43.2171.500000110.4L422 T423 E424 K429 M430L422-A426 WeakPolarHBondContact O-CB 3.38Å; L422-A426 PolarHBondContact O-N 3.05Å; T423-A426 WeakPolarHBondContact O-CB 3.24Å; T423-A426 PolarHBondContact O-N 3.37Å; E424-A426 PolarHBondContact O-N 3.01Å; E424-A426 VanDerWaalsContact O-N 3.13Å; A426-K429 PolarHBondContact O-N 2.9Å; A426-M430 WeakPolarHBondContact O-CB 3.23Å; A426-M430 PolarHBondContact O-N 3.38Å
427N60.6Low66.1Low89 Ų89101.6 Ų101.648%0.47651%0.507SS..Hα-helixtrans-64.2-42.8174.4-70.4-11.2000111.9T423 E424 K429 M430 N431T423-N427 PolarHBondContact O-N 3.23Å; E424-N427 PolarHBondContact O-N 3.09Å; E424-N427 VanDerWaalsContact O-N 3.08Å; N427-K429 VanDerWaalsContact C-N 3.32Å; N427-K429 PolarHBondContact O-N 3.19Å; N427-M430 PolarHBondContact O-N 2.85Å; N427-M430 VanDerWaalsContact O-N 3.13Å; N427-N431 WeakPolarHBondContact O-CB 3.5Å; N427-N431 PolarHBondContact O-N 3.43Å
428E72Confident65.5Low119 Ų119105.1 Ų105.156%0.55651%0.514SS*.Hα-helixtrans-56.2-45.1173.1-73.1178.7147.100111.8E424 M430 N431 A432E424-E428 WeakPolarHBondContact O-CG 3.49Å; E424-E428 PolarHBondContact O-N 2.89Å; E428-M430 VanDerWaalsContact C-N 3.32Å; E428-M430 PolarHBondContact O-N 2.79Å; E428-N431 PolarHBondContact O-N 2.81Å; E428-A432 VanDerWaalsContact O-CB 3.24Å; E428-A432 WeakPolarHBondContact O-CB 3.3Å; E428-A432 PolarHBondContact O-N 3.13Å
429K70.4Confident64.9Low127 Ų127106.6 Ų106.655%0.55252%0.521SS*.Hα-helixtrans-69.9-28.4177.7-71.5170.7-166.1124.40112.9Q425 A426 N427 K433Q425-K429 WeakPolarHBondContact O-CD 3.44Å; Q425-K429 WeakPolarHBondContact O-CE 3.21Å; Q425-K429 VanDerWaalsContact O-CG 3.23Å; Q425-K429 WeakPolarHBondContact O-CG 3.3Å; Q425-K429 PolarHBondContact O-NZ 2.75Å; Q425-K429 VanDerWaalsContact O-NZ 3.12Å; A426-K429 PolarHBondContact O-N 2.9Å; N427-K429 VanDerWaalsContact C-N 3.32Å; N427-K429 PolarHBondContact O-N 3.19Å; K429-K433 WeakPolarHBondContact O-CB 3.41Å; K429-K433 WeakPolarHBondContact O-CG 3.25Å; K429-K433 PolarHBondContact O-N 3.39Å
430M62.9Low63.9Low108 Ų108103.6 Ų103.653%0.53252%0.515SS..Hα-helixtrans-74.9-42.5174.3-171.3166.263.400111.2A426 N427 E428 K433 L434A426-M430 WeakPolarHBondContact O-CB 3.23Å; A426-M430 PolarHBondContact O-N 3.38Å; N427-M430 PolarHBondContact O-N 2.85Å; N427-M430 VanDerWaalsContact O-N 3.13Å; E428-M430 VanDerWaalsContact C-N 3.32Å; E428-M430 PolarHBondContact O-N 2.79Å; M430-K433 PolarHBondContact O-N 2.82Å; M430-L434 PolarHBondContact O-N 3.04Å
431N61.2Low62.6Low97 Ų97103.6 Ų103.652%0.51953%0.526SS..Hα-helixtrans-65.9-43.5174.9-71.2-6.3000111.6N427 E428 K433 L434 E435N427-N431 WeakPolarHBondContact O-CB 3.5Å; N427-N431 PolarHBondContact O-N 3.43Å; E428-N431 PolarHBondContact O-N 2.81Å; N431-K433 VanDerWaalsContact C-N 3.29Å; N431-K433 PolarHBondContact O-N 3.32Å; N431-L434 WeakPolarHBondContact O-CB 3.36Å; N431-L434 PolarHBondContact O-N 3.39Å; N431-E435 WeakPolarHBondContact O-CB 3.19Å; N431-E435 PolarHBondContact O-N 3.47Å
432A68.1Low61.5Low53 Ų53104.1 Ų104.144%0.43854%0.543SS..Hα-helixtrans-59.7-38.9174.100000111.9E428 E435 E436E428-A432 VanDerWaalsContact O-CB 3.24Å; E428-A432 WeakPolarHBondContact O-CB 3.3Å; E428-A432 PolarHBondContact O-N 3.13Å; A432-E435 PolarHBondContact O-N 2.96Å; A432-E436 WeakPolarHBondContact O-CG 3.37Å; A432-E436 PolarHBondContact O-N 3.21Å
433K68.1Low60.3Low135 Ų135103.2 Ų103.259%0.58755%0.545SS*.Hα-helixtrans-70.6-37.1173.7-80.5-178170.7-165.10113.9K429 M430 N431 E435 E436 L437K429-K433 WeakPolarHBondContact O-CB 3.41Å; K429-K433 WeakPolarHBondContact O-CG 3.25Å; K429-K433 PolarHBondContact O-N 3.39Å; M430-K433 PolarHBondContact O-N 2.82Å; N431-K433 VanDerWaalsContact C-N 3.29Å; N431-K433 PolarHBondContact O-N 3.32Å; K433-E435 PolarHBondContact O-N 3.5Å; K433-E436 PolarHBondContact O-N 2.84Å; K433-L437 VanDerWaalsContact O-CB 3.32Å; K433-L437 WeakPolarHBondContact O-CB 3.35Å; K433-L437 WeakPolarHBondContact O-CD1 3.48Å; K433-L437 WeakPolarHBondContact O-CG 3.49Å; K433-L437 PolarHBondContact O-N 2.84Å
434L58.9Low59.4Low89 Ų89108.5 Ų108.547%0.46656%0.561SS.*Hα-helixtrans-60.7-36.8171.1-93.4161.5000110.9M430 N431 L437 R438M430-L434 PolarHBondContact O-N 3.04Å; N431-L434 WeakPolarHBondContact O-CB 3.36Å; N431-L434 PolarHBondContact O-N 3.39Å; L434-L437 PolarHBondContact O-N 3.32Å; L434-R438 VanDerWaalsContact O-CG 3.31Å; L434-R438 WeakPolarHBondContact O-CG 3.31Å; L434-R438 PolarHBondContact O-N 2.98Å
435E58.8Low58.6Low71 Ų71109.4 Ų109.433%0.33257%0.568SS.*Hα-helixtrans-76.8-39.8178.1-161.251.6-138.200112.3N431 A432 K433 L437 R438 Q439N431-E435 WeakPolarHBondContact O-CB 3.19Å; N431-E435 PolarHBondContact O-N 3.47Å; A432-E435 PolarHBondContact O-N 2.96Å; K433-E435 PolarHBondContact O-N 3.5Å; E435-L437 VanDerWaalsContact C-N 3.27Å; E435-L437 PolarHBondContact O-N 3.3Å; E435-R438 PolarHBondContact O-N 2.94Å; E435-R438 WeakPolarHBondContact OE2-CD 3.44Å; E435-R438 IonicContact OE2-CZ 2.77Å; E435-R438 IonicContact OE2-NE 3.66Å; E435-R438 IonicContact OE2-NH1 2.72Å; E435-R438 PolarHBondContact OE2-NH1 3.09Å; E435-Q439 WeakPolarHBondContact O-CB 3.24Å; E435-Q439 VanDerWaalsContact O-CG 3.26Å; E435-Q439 WeakPolarHBondContact O-CG 3.44Å; E435-Q439 PolarHBondContact O-N 3.12Å; E435-Q439 PolarHBondContact OE1-NE2 3.42Å
436E62.6Low57.9Low128 Ų128109.7 Ų109.760%0.59857%0.573SS**Hα-helixtrans-57.1-39.2166.5-76.2-178.7134.600111.7A432 K433 Q439 H440A432-E436 WeakPolarHBondContact O-CG 3.37Å; A432-E436 PolarHBondContact O-N 3.21Å; K433-E436 PolarHBondContact O-N 2.84Å; E436-Q439 CarbonylContact O-C 3.57Å; E436-Q439 PolarHBondContact O-N 3.28Å; E436-H440 PolarHBondContact O-N 3.45Å
437L54.7Low57.1Low125 Ų125108.3 Ų108.365%0.65456%0.558SS**Hα-helixtrans-70-38.9177.3-77166.6000112.6K433 L434 E435 Q439 H440K433-L437 VanDerWaalsContact O-CB 3.32Å; K433-L437 WeakPolarHBondContact O-CB 3.35Å; K433-L437 WeakPolarHBondContact O-CD1 3.48Å; K433-L437 WeakPolarHBondContact O-CG 3.49Å; K433-L437 PolarHBondContact O-N 2.84Å; L434-L437 PolarHBondContact O-N 3.32Å; E435-L437 VanDerWaalsContact C-N 3.27Å; E435-L437 PolarHBondContact O-N 3.3Å; L437-Q439 VanDerWaalsContact C-N 3.28Å; L437-Q439 PolarHBondContact O-N 3.04Å; L437-H440 PolarHBondContact O-N 3Å
438R53.4Low56.7Low171 Ų171111.2 Ų111.265%0.64557%0.569SS**Hα-helixtrans-63.8-32.9171.3-76.3163.7168.1177.5-4.4112.7L434 E435L434-R438 VanDerWaalsContact O-CG 3.31Å; L434-R438 WeakPolarHBondContact O-CG 3.31Å; L434-R438 PolarHBondContact O-N 2.98Å; E435-R438 PolarHBondContact O-N 2.94Å; E435-R438 WeakPolarHBondContact OE2-CD 3.44Å; E435-R438 IonicContact OE2-CZ 2.77Å; E435-R438 IonicContact OE2-NE 3.66Å; E435-R438 IonicContact OE2-NH1 2.72Å; E435-R438 PolarHBondContact OE2-NH1 3.09Å
439Q52.8Low55.9Low141 Ų141111.6 Ų111.666%0.65957%0.569SS**Hα-helixtrans-89.5-6.2-179.2-65.9176.922.900113.2E435 E436 L437E435-Q439 WeakPolarHBondContact O-CB 3.24Å; E435-Q439 VanDerWaalsContact O-CG 3.26Å; E435-Q439 WeakPolarHBondContact O-CG 3.44Å; E435-Q439 PolarHBondContact O-N 3.12Å; E435-Q439 PolarHBondContact OE1-NE2 3.42Å; E436-Q439 CarbonylContact O-C 3.57Å; E436-Q439 PolarHBondContact O-N 3.28Å; L437-Q439 VanDerWaalsContact C-N 3.28Å; L437-Q439 PolarHBondContact O-N 3.04Å
440H52.3Low55.1Low134 Ų134109.5 Ų109.562%0.6256%0.563SS**SBendtrans-68.9144.5178.7-139.8-90.7000111.6E436 L437 A442E436-H440 PolarHBondContact O-N 3.45Å; L437-H440 PolarHBondContact O-N 3Å; H440-A442 PolarHBondContact O-N 3.05Å
441A43.5Very low54.8Low74 Ų74106 Ų10661%0.61255%0.548SS*.G310 helixtrans-63.81.6-161.600000117.7C443A441-C443 VanDerWaalsContact C-N 3.29Å; A441-C443 PolarHBondContact O-N 3.2Å
442A48.8Very low54.7Low94 Ų94108.7 Ų108.778%0.77756%0.557SS**G310 helixtrans-69.8-19.9178.900000114.2H440H440-A442 PolarHBondContact O-N 3.05Å
443C47.4Very low54.2Low90 Ų90111.1 Ų111.161%0.60857%0.567SS**G310 helixtrans-1136.6-178.7-64.30000114.3A441 Q470A441-C443 VanDerWaalsContact C-N 3.29Å; A441-C443 PolarHBondContact O-N 3.2Å; C443-Q470 PolarHBondContact O-NE2 3.39Å; C443-Q470 VanDerWaalsContact O-NE2 3.15Å
444K47.7Very low53.7Low191 Ų191106.4 Ų106.483%0.8355%0.548SS*.  trans-135.345.5-180-78.4-169.8174.9177.50113.3D446K444-D446 PolarHBondContact O-N 3.18Å
445L48.3Very low53.6Low129 Ų129111.5 Ų111.568%0.67557%0.569SS**  trans-71.9121.2152.5-82.7168.9000108.3L447L445-L447 HydrophobicContact CB-CG 4.25Å; L445-L447 PolarHBondContact O-N 3.47Å
446D54.1Low53.8Low88 Ų88112.1 Ų112.147%0.47158%0.575SS.*  trans-76.868.2174.7-172.77.6000109.5K444 Q448 K449K444-D446 PolarHBondContact O-N 3.18Å; D446-Q448 PolarHBondContact O-N 3.24Å; D446-K449 PolarHBondContact O-N 2.83Å; D446-K449 IonicContact OD2-NZ 3.66Å; D446-K449 PolarHBondContact OD2-NZ 3Å
447L52.6Low54Low22 Ų22112 Ų11212%0.11557%0.574CS.*Hα-helixtrans-55.8-25.8-174.2-71.4138.3000112.5L445 K449 L450 V451 V463 I466 C467L445-L447 HydrophobicContact CB-CG 4.25Å; L445-L447 PolarHBondContact O-N 3.47Å; L447-K449 VanDerWaalsContact C-N 3.3Å; L447-K449 PolarHBondContact O-N 3.15Å; L447-L450 WeakPolarHBondContact O-CA 3.29Å; L447-L450 WeakPolarHBondContact O-CB 3.45Å; L447-L450 PolarHBondContact O-N 3.47Å; L447-V451 PolarHBondContact O-N 3.2Å; L447-V463 HydrophobicContact CB-CG1 4.39Å; L447-V463 HydrophobicContact CD2-CG1 3.87Å; L447-I466 HydrophobicContact CD1-CG2 4.3Å; L447-I466 HydrophobicContact CD2-CG2 4.21Å; L447-C467 WeakPolarHBondContact CB-SG 3.34Å
448Q52.9Low54.5Low149 Ų149112.9 Ų112.970%0.69658%0.575SS**Hα-helixtrans-61.6-36.6177.2-162.4159.718.100112.1D446 E452D446-Q448 PolarHBondContact O-N 3.24Å; Q448-E452 PolarHBondContact O-N 2.78Å
449K55.2Low54.8Low128 Ų128109 Ų10956%0.55757%0.567SS**Hα-helixtrans-71.3-31169.4-71.6-165.5-179.372.70113.2D446 L447 E452 T453D446-K449 PolarHBondContact O-N 2.83Å; D446-K449 IonicContact OD2-NZ 3.66Å; D446-K449 PolarHBondContact OD2-NZ 3Å; L447-K449 VanDerWaalsContact C-N 3.3Å; L447-K449 PolarHBondContact O-N 3.15Å; K449-E452 PolarHBondContact O-N 2.92Å; K449-T453 WeakPolarHBondContact O-CG2 3.32Å; K449-T453 PolarHBondContact O-N 2.89Å; K449-T453 PolarHBondContact O-OG1 3.22Å
450L53.8Low55.6Low82 Ų82105.1 Ų105.143%0.42955%0.547SS..Hα-helixtrans-67-41.8179.5-164.667.4000110.7L447 E452 T453 L454L447-L450 WeakPolarHBondContact O-CA 3.29Å; L447-L450 WeakPolarHBondContact O-CB 3.45Å; L447-L450 PolarHBondContact O-N 3.47Å; L450-E452 VanDerWaalsContact C-N 3.31Å; L450-E452 PolarHBondContact O-N 3.11Å; L450-T453 PolarHBondContact O-N 3.24Å; L450-T453 VanDerWaalsContact O-N 3.1Å; L450-T453 PolarHBondContact O-OG1 3.41Å; L450-L454 HydrophobicContact CG-CD1 4.23Å; L450-L454 WeakPolarHBondContact O-CG 3.2Å; L450-L454 PolarHBondContact O-N 2.77Å
451V56.2Low56.4Low36 Ų36104 Ų10422%0.21854%0.543CS..Hα-helixtrans-57.3-40.9172.3175.40000111.8L447 T453 K460 V463L447-V451 PolarHBondContact O-N 3.2Å; V451-T453 VanDerWaalsContact C-N 3.28Å; V451-T453 PolarHBondContact O-N 2.8Å; V451-K460 HydrophobicContact CG1-CG 4.44Å; V451-K460 WeakPolarHBondContact O-CE 3.36Å; V451-V463 HydrophobicContact CG2-CB 4.21Å; V451-V463 HydrophobicContact CG2-CG1 3.53Å
452E58.5Low57.6Low153 Ų153104.7 Ų104.772%0.71554%0.536SS*.Hα-helixtrans-64.6-30.6176.7-69.3-179.5154.600113Q448 K449 L450Q448-E452 PolarHBondContact O-N 2.78Å; K449-E452 PolarHBondContact O-N 2.92Å; L450-E452 VanDerWaalsContact C-N 3.31Å; L450-E452 PolarHBondContact O-N 3.11Å
453T57.8Low58.4Low104 Ų104101.1 Ų101.164%0.63850%0.504SS*.Hα-helixtrans-92-9.3-175.7560000116.2K449 L450 V451K449-T453 WeakPolarHBondContact O-CG2 3.32Å; K449-T453 PolarHBondContact O-N 2.89Å; K449-T453 PolarHBondContact O-OG1 3.22Å; L450-T453 PolarHBondContact O-N 3.24Å; L450-T453 VanDerWaalsContact O-N 3.1Å; L450-T453 PolarHBondContact O-OG1 3.41Å; V451-T453 VanDerWaalsContact C-N 3.28Å; V451-T453 PolarHBondContact O-N 2.8Å
454L56.4Low59.5Low35 Ų35102.2 Ų102.218%0.18350%0.501CS..  trans-87.1123.5-177.3-76.3164000111.6L450 L459 K460 V463L450-L454 HydrophobicContact CG-CD1 4.23Å; L450-L454 WeakPolarHBondContact O-CG 3.2Å; L450-L454 PolarHBondContact O-N 2.77Å; L454-L459 HydrophobicContact CD1-CB 4.41Å; L454-L459 HydrophobicContact CD2-CB 4.47Å; L454-L459 HydrophobicContact CD2-CD2 3.96Å; L454-K460 HydrophobicContact CB-CG 3.99Å; L454-K460 WeakPolarHBondContact O-CE 3.48Å; L454-K460 PolarHBondContact O-NZ 3.37Å; L454-V463 HydrophobicContact CD1-CG2 3.99Å
455E57.3Low60.7Low197 Ų19797.8 Ų97.892%0.92149%0.485SS*.  trans-81.7-20.5174.2-63.4-171.8151.700112.8
456D63.2Low61.6Low83 Ų8395.8 Ų95.844%0.44447%0.474SS..  trans-84127.9-179.4-169.9-45.5000111.8E458 L459 K460D456-E458 PolarHBondContact OD1-N 3.47Å; D456-L459 HydrophobicContact CB-CB 4.18Å; D456-L459 PolarHBondContact OD1-N 2.85Å; D456-K460 WeakPolarHBondContact O-CG 3.45Å; D456-K460 PolarHBondContact O-N 3.33Å
457Q66.6Low62Low125 Ų12593 Ų9358%0.58446%0.461SS*.Hα-helixtrans-74.2-36.1-175.9-168.568.728.600112.7K460 E461Q457-K460 WeakPolarHBondContact O-CB 3.45Å; Q457-K460 PolarHBondContact O-N 2.68Å; Q457-E461 PolarHBondContact O-N 3.34Å
458E64.8Low62.7Low144 Ų14496.5 Ų96.567%0.67348%0.48SS*.Hα-helixtrans-75.5-35.5-178.1-170.1169.7-153.100110.3D456 N462D456-E458 PolarHBondContact OD1-N 3.47Å; E458-N462 PolarHBondContact O-N 2.84Å; E458-N462 PolarHBondContact O-ND2 2.99Å
459L61.4Low63.2Low91 Ų9194 Ų9448%0.47647%0.471SS..Hα-helixtrans-65.4-36.5170.1-104.970.6000112.7L454 D456 N462 V463L454-L459 HydrophobicContact CD1-CB 4.41Å; L454-L459 HydrophobicContact CD2-CB 4.47Å; L454-L459 HydrophobicContact CD2-CD2 3.96Å; D456-L459 HydrophobicContact CB-CB 4.18Å; D456-L459 PolarHBondContact OD1-N 2.85Å; L459-N462 PolarHBondContact O-N 3.44Å; L459-V463 VanDerWaalsContact O-CG2 3.32Å; L459-V463 WeakPolarHBondContact O-CG2 3.39Å; L459-V463 PolarHBondContact O-N 3.28Å
460K68.2Low63.1Low58 Ų5890.5 Ų90.525%0.25246%0.456SS..Hα-helixtrans-60-50.9177.6-91.4171.1156.4154.40112.5V451 L454 D456 Q457 N462 V463 E464V451-K460 HydrophobicContact CG1-CG 4.44Å; V451-K460 WeakPolarHBondContact O-CE 3.36Å; L454-K460 HydrophobicContact CB-CG 3.99Å; L454-K460 WeakPolarHBondContact O-CE 3.48Å; L454-K460 PolarHBondContact O-NZ 3.37Å; D456-K460 WeakPolarHBondContact O-CG 3.45Å; D456-K460 PolarHBondContact O-N 3.33Å; Q457-K460 WeakPolarHBondContact O-CB 3.45Å; Q457-K460 PolarHBondContact O-N 2.68Å; K460-N462 VanDerWaalsContact C-N 3.32Å; K460-N462 PolarHBondContact O-N 2.93Å; K460-V463 PolarHBondContact O-N 3.42Å; K460-E464 WeakPolarHBondContact O-CB 3.36Å; K460-E464 PolarHBondContact O-N 3.19Å
461E69.9Low63.5Low111 Ų11192.6 Ų92.652%0.51946%0.464SS..Hα-helixtrans-62.3-39.9179.9-68.4178.5-171.700111.5Q457 E464 I465Q457-E461 PolarHBondContact O-N 3.34Å; E461-E464 PolarHBondContact O-N 2.87Å; E461-I465 VanDerWaalsContact O-CG1 3.32Å; E461-I465 WeakPolarHBondContact O-CG1 3.48Å; E461-I465 PolarHBondContact O-N 2.82Å
462N67.6Low63.9Low89 Ų8995.3 Ų95.348%0.47648%0.477SS..Hα-helixtrans-63.6-40.4174.4-80.1-73.8000113.1E458 L459 K460 I466E458-N462 PolarHBondContact O-N 2.84Å; E458-N462 PolarHBondContact O-ND2 2.99Å; L459-N462 PolarHBondContact O-N 3.44Å; K460-N462 VanDerWaalsContact C-N 3.32Å; K460-N462 PolarHBondContact O-N 2.93Å; N462-I466 WeakPolarHBondContact O-CG1 3.46Å; N462-I466 PolarHBondContact O-N 2.79Å
463V67.4Low64Low18 Ų1893.5 Ų93.511%0.10947%0.471CS..Hα-helixtrans-69.6-35.3176.1172.80000111.6L447 V451 L454 L459 K460 I466 C467L447-V463 HydrophobicContact CB-CG1 4.39Å; L447-V463 HydrophobicContact CD2-CG1 3.87Å; V451-V463 HydrophobicContact CG2-CB 4.21Å; V451-V463 HydrophobicContact CG2-CG1 3.53Å; L454-V463 HydrophobicContact CD1-CG2 3.99Å; L459-V463 VanDerWaalsContact O-CG2 3.32Å; L459-V463 WeakPolarHBondContact O-CG2 3.39Å; L459-V463 PolarHBondContact O-N 3.28Å; K460-V463 PolarHBondContact O-N 3.42Å; V463-I466 WeakPolarHBondContact O-CB 3.4Å; V463-I466 PolarHBondContact O-N 2.6Å; V463-C467 PolarHBondContact O-N 3.39Å; V463-C467 PolarHBondContact O-SG 2.79Å
464E69.2Low64Low114 Ų11491.9 Ų91.953%0.53346%0.461SS..Hα-helixtrans-68.6-37176.3-169.4163.5-145.200112.1K460 E461 I466 C467 N468K460-E464 WeakPolarHBondContact O-CB 3.36Å; K460-E464 PolarHBondContact O-N 3.19Å; E461-E464 PolarHBondContact O-N 2.87Å; E464-I466 VanDerWaalsContact C-N 3.33Å; E464-I466 PolarHBondContact O-N 3.37Å; E464-C467 WeakPolarHBondContact O-CB 3.38Å; E464-C467 PolarHBondContact O-N 2.95Å; E464-N468 PolarHBondContact O-N 3.15Å; E464-N468 VanDerWaalsContact O-N 3.09Å; E464-N468 PolarHBondContact O-ND2 3.23Å
465I73.2Confident64.1Low97 Ų9795.6 Ų95.650%0.49748%0.477SS..Hα-helixtrans-59.8-42.7169.6-69.6163.9000111E461 C467 N468 L469E461-I465 VanDerWaalsContact O-CG1 3.32Å; E461-I465 WeakPolarHBondContact O-CG1 3.48Å; E461-I465 PolarHBondContact O-N 2.82Å; I465-C467 PolarHBondContact O-N 2.82Å; I465-N468 PolarHBondContact O-N 3.07Å; I465-L469 HydrophobicContact CG2-CD1 4.01Å; I465-L469 WeakPolarHBondContact O-CG 3.29Å; I465-L469 PolarHBondContact O-N 2.84Å
466I66.4Low63.9Low87 Ų8790.7 Ų90.745%0.44646%0.457SS..Hα-helixtrans-63.6-40.3176.6-68.2165.2000111.3L447 N462 V463 E464 N468 L469 Q470L447-I466 HydrophobicContact CD1-CG2 4.3Å; L447-I466 HydrophobicContact CD2-CG2 4.21Å; N462-I466 WeakPolarHBondContact O-CG1 3.46Å; N462-I466 PolarHBondContact O-N 2.79Å; V463-I466 WeakPolarHBondContact O-CB 3.4Å; V463-I466 PolarHBondContact O-N 2.6Å; E464-I466 VanDerWaalsContact C-N 3.33Å; E464-I466 PolarHBondContact O-N 3.37Å; I466-N468 PolarHBondContact O-N 3.09Å; I466-L469 PolarHBondContact O-N 2.92Å; I466-Q470 WeakPolarHBondContact O-CB 2.99Å; I466-Q470 PolarHBondContact O-N 3.46Å
467C62.9Low63.2Low30 Ų3089.3 Ų89.320%0.20345%0.454CS..Hα-helixtrans-58.4-46.5174.5-64.60000112L447 V463 E464 I465 Q470 Q471L447-C467 WeakPolarHBondContact CB-SG 3.34Å; V463-C467 PolarHBondContact O-N 3.39Å; V463-C467 PolarHBondContact O-SG 2.79Å; E464-C467 WeakPolarHBondContact O-CB 3.38Å; E464-C467 PolarHBondContact O-N 2.95Å; I465-C467 PolarHBondContact O-N 2.82Å; C467-Q470 PolarHBondContact O-N 3.03Å; C467-Q471 PolarHBondContact O-N 2.84Å
468N68.8Low62.3Low95 Ų9588.5 Ų88.551%0.50845%0.454SS..Hα-helixtrans-65.5-41.8-180-71.9-53.7000112E464 I465 I466 Q470 Q471 L472E464-N468 PolarHBondContact O-N 3.15Å; E464-N468 VanDerWaalsContact O-N 3.09Å; E464-N468 PolarHBondContact O-ND2 3.23Å; I465-N468 PolarHBondContact O-N 3.07Å; I466-N468 PolarHBondContact O-N 3.09Å; N468-Q470 VanDerWaalsContact C-N 3.34Å; N468-Q470 PolarHBondContact O-N 2.83Å; N468-Q471 PolarHBondContact O-N 3.1Å; N468-L472 PolarHBondContact O-N 2.87Å
469L63.1Low61.6Low96 Ų9687.5 Ų87.550%0.50345%0.449SS..Hα-helixtrans-62.2-40.1173.8-71.8168.6000112I465 I466 L472 I473I465-L469 HydrophobicContact CG2-CD1 4.01Å; I465-L469 WeakPolarHBondContact O-CG 3.29Å; I465-L469 PolarHBondContact O-N 2.84Å; I466-L469 PolarHBondContact O-N 2.92Å; L469-L472 PolarHBondContact O-N 2.91Å; L469-I473 VanDerWaalsContact O-CG1 3.29Å; L469-I473 WeakPolarHBondContact O-CG1 3.47Å; L469-I473 PolarHBondContact O-N 2.91Å
470Q52.5Low60.9Low55 Ų5587 Ų8726%0.25745%0.45SS..Hα-helixtrans-70.2-34.3179.5-169.3169.2-17.900112.7C443 I466 C467 N468 T474C443-Q470 PolarHBondContact O-NE2 3.39Å; C443-Q470 VanDerWaalsContact O-NE2 3.15Å; I466-Q470 WeakPolarHBondContact O-CB 2.99Å; I466-Q470 PolarHBondContact O-N 3.46Å; C467-Q470 PolarHBondContact O-N 3.03Å; N468-Q470 VanDerWaalsContact C-N 3.34Å; N468-Q470 PolarHBondContact O-N 2.83Å; Q470-T474 PolarHBondContact O-N 2.99Å; Q470-T474 VanDerWaalsContact O-N 3.08Å; Q470-T474 PolarHBondContact O-OG1 2.85Å
471Q61.7Low60Low126 Ų12688.6 Ų88.659%0.58946%0.464SS*.Hα-helixtrans-63.6-44.2168.8-73.7-171.8-0.500111.7C467 N468 I473 T474 Q475C467-Q471 PolarHBondContact O-N 2.84Å; N468-Q471 PolarHBondContact O-N 3.1Å; Q471-I473 PolarHBondContact O-N 3.48Å; Q471-T474 WeakPolarHBondContact O-CB 3.38Å; Q471-T474 PolarHBondContact O-N 3.22Å; Q471-T474 VanDerWaalsContact O-N 3.14Å; Q471-Q475 PolarHBondContact O-N 3.3Å
472L64.4Low58.7Low94 Ų9486.1 Ų86.149%0.49246%0.463SS..Hα-helixtrans-62.2-42.7178.6-155.980000112N468 L469 T474 Q475 L476N468-L472 PolarHBondContact O-N 2.87Å; L469-L472 PolarHBondContact O-N 2.91Å; L472-T474 VanDerWaalsContact C-N 3.29Å; L472-T474 PolarHBondContact O-N 3.02Å; L472-Q475 PolarHBondContact O-N 3.15Å; L472-L476 HydrophobicContact CG-CD1 4.44Å; L472-L476 VanDerWaalsContact O-CG 3.31Å; L472-L476 WeakPolarHBondContact O-CG 3.46Å; L472-L476 PolarHBondContact O-N 3.46Å
473I62.3Low57.4Low114 Ų11486 Ų8659%0.58547%0.468SS*.Hα-helixtrans-61.2-39.1174.5-70.4164000111.1L469 Q471 S477L469-I473 VanDerWaalsContact O-CG1 3.29Å; L469-I473 WeakPolarHBondContact O-CG1 3.47Å; L469-I473 PolarHBondContact O-N 2.91Å; Q471-I473 PolarHBondContact O-N 3.48Å; I473-S477 WeakPolarHBondContact O-CB 3.39Å; I473-S477 PolarHBondContact O-N 2.99Å
474T57.4Low56.2Low70 Ų7091.5 Ų91.543%0.42949%0.494SS..Hα-helixtrans-65.3-47.7178.3-52.80000110.7Q470 Q471 L472 L476 S477 D478Q470-T474 PolarHBondContact O-N 2.99Å; Q470-T474 VanDerWaalsContact O-N 3.08Å; Q470-T474 PolarHBondContact O-OG1 2.85Å; Q471-T474 WeakPolarHBondContact O-CB 3.38Å; Q471-T474 PolarHBondContact O-N 3.22Å; Q471-T474 VanDerWaalsContact O-N 3.14Å; L472-T474 VanDerWaalsContact C-N 3.29Å; L472-T474 PolarHBondContact O-N 3.02Å; T474-L476 PolarHBondContact O-N 2.84Å; T474-S477 WeakPolarHBondContact O-CB 3.48Å; T474-S477 PolarHBondContact O-N 3.21Å; T474-S477 PolarHBondContact O-OG 2.91Å; T474-D478 PolarHBondContact O-N 2.82Å
475Q57.1Low54.8Low113 Ų11389.3 Ų89.353%0.52850%0.496SS..Hα-helixtrans-58.4-46.9176.4-71.2173.5-15.500112.2Q471 L472 S477 D478 E479Q471-Q475 PolarHBondContact O-N 3.3Å; L472-Q475 PolarHBondContact O-N 3.15Å; Q475-S477 PolarHBondContact O-N 2.95Å; Q475-D478 PolarHBondContact O-N 3.13Å; Q475-E479 WeakPolarHBondContact O-CG 3.44Å; Q475-E479 PolarHBondContact O-N 2.86Å
476L54.8Low53.1Low94 Ų9488 Ų8849%0.49250%0.499SS..Hα-helixtrans-63-29.3176-69.3167.7000112.7L472 T474 T480L472-L476 HydrophobicContact CG-CD1 4.44Å; L472-L476 VanDerWaalsContact O-CG 3.31Å; L472-L476 WeakPolarHBondContact O-CG 3.46Å; L472-L476 PolarHBondContact O-N 3.46Å; T474-L476 PolarHBondContact O-N 2.84Å; L476-T480 WeakPolarHBondContact O-CB 3.4Å; L476-T480 WeakPolarHBondContact O-CG2 3.34Å; L476-T480 PolarHBondContact O-N 3.36Å; L476-T480 PolarHBondContact O-OG1 3.37Å
477S48.3Very low51.7Low55 Ų5586.8 Ų86.839%0.38550%0.502SS..Hα-helixtrans-74.4-37.7175.4780000112.9I473 T474 Q475 T480 V481I473-S477 WeakPolarHBondContact O-CB 3.39Å; I473-S477 PolarHBondContact O-N 2.99Å; T474-S477 WeakPolarHBondContact O-CB 3.48Å; T474-S477 PolarHBondContact O-N 3.21Å; T474-S477 PolarHBondContact O-OG 2.91Å; Q475-S477 PolarHBondContact O-N 2.95Å; S477-T480 WeakPolarHBondContact CA-OG1 3.45Å; S477-T480 PolarHBondContact O-OG1 2.96Å; S477-T480 VanDerWaalsContact O-OG1 3.13Å; S477-V481 WeakPolarHBondContact O-CG2 3.19Å; S477-V481 PolarHBondContact O-N 2.93Å; S477-V481 VanDerWaalsContact O-N 3.09Å
478D48.3Very low50.7Low107 Ų10792.2 Ų92.257%0.57253%0.528SS*.Hα-helixtrans-71-40.3174.9-73.2-35.4000111.2T474 Q475 V481 A482T474-D478 PolarHBondContact O-N 2.82Å; Q475-D478 PolarHBondContact O-N 3.13Å; D478-V481 PolarHBondContact O-N 3.05Å; D478-A482 WeakPolarHBondContact O-CB 3.36Å; D478-A482 PolarHBondContact O-N 3.28Å
479E48.9Very low49Very low123 Ų12394.9 Ų94.958%0.57554%0.542SS*.Hα-helixtrans-64.4-39.4174.7-73.4-172.8156.300112.4Q475 A482 C483Q475-E479 WeakPolarHBondContact O-CG 3.44Å; Q475-E479 PolarHBondContact O-N 2.86Å; E479-A482 PolarHBondContact O-N 2.83Å; E479-C483 VanDerWaalsContact O-CB 3.31Å; E479-C483 WeakPolarHBondContact O-CB 3.4Å; E479-C483 PolarHBondContact O-N 2.9Å; E479-C483 PolarHBondContact O-SG 3.15Å
480T47.6Very low47.6Very low82 Ų8295.3 Ų95.350%0.50355%0.549SS..Hα-helixtrans-69.5-36.3175.542.70000112.8L476 S477 M484L476-T480 WeakPolarHBondContact O-CB 3.4Å; L476-T480 WeakPolarHBondContact O-CG2 3.34Å; L476-T480 PolarHBondContact O-N 3.36Å; L476-T480 PolarHBondContact O-OG1 3.37Å; S477-T480 WeakPolarHBondContact CA-OG1 3.45Å; S477-T480 PolarHBondContact O-OG1 2.96Å; S477-T480 VanDerWaalsContact O-OG1 3.13Å; T480-M484 WeakPolarHBondContact O-CB 3.16Å; T480-M484 VanDerWaalsContact O-CG 3.29Å; T480-M484 WeakPolarHBondContact O-CG 3.39Å; T480-M484 PolarHBondContact O-N 2.89Å
481V47.8Very low46.6Very low90 Ų9097 Ų9755%0.54557%0.572SS.*Hα-helixtrans-66.5-41.2172.5170.70000111.5S477 D478 M484 A485S477-V481 WeakPolarHBondContact O-CG2 3.19Å; S477-V481 PolarHBondContact O-N 2.93Å; S477-V481 VanDerWaalsContact O-N 3.09Å; D478-V481 PolarHBondContact O-N 3.05Å; V481-M484 PolarHBondContact O-N 2.93Å; V481-A485 WeakPolarHBondContact O-CB 3.28Å; V481-A485 PolarHBondContact O-N 2.98Å
482A43.6Very low45.3Very low60 Ų6096.9 Ų96.950%0.49658%0.58SS.*Hα-helixtrans-64.1-45.1175.700000112.2D478 E479 A485 A486D478-A482 WeakPolarHBondContact O-CB 3.36Å; D478-A482 PolarHBondContact O-N 3.28Å; E479-A482 PolarHBondContact O-N 2.83Å; A482-A485 PolarHBondContact O-N 2.92Å; A482-A486 PolarHBondContact O-N 3.24Å
483C40.3Very low43.8Very low85 Ų85100.9 Ų100.957%0.57460%0.596SS**Hα-helixtrans-63.4-41.8175.2-74.20000112.2E479 A485 A486 A487E479-C483 VanDerWaalsContact O-CB 3.31Å; E479-C483 WeakPolarHBondContact O-CB 3.4Å; E479-C483 PolarHBondContact O-N 2.9Å; E479-C483 PolarHBondContact O-SG 3.15Å; C483-A485 VanDerWaalsContact C-N 3.34Å; C483-A485 PolarHBondContact O-N 3.43Å; C483-A486 PolarHBondContact O-N 3.45Å; C483-A487 VanDerWaalsContact O-CB 3.23Å; C483-A487 WeakPolarHBondContact O-CB 3.32Å; C483-A487 PolarHBondContact O-N 2.9Å
484M42.2Very low42.3Very low134 Ų134104.6 Ų104.666%0.6661%0.611SS**Hα-helixtrans-64.6-35.7175.2-78.6179.459.800112.8T480 V481 I488T480-M484 WeakPolarHBondContact O-CB 3.16Å; T480-M484 VanDerWaalsContact O-CG 3.29Å; T480-M484 WeakPolarHBondContact O-CG 3.39Å; T480-M484 PolarHBondContact O-N 2.89Å; V481-M484 PolarHBondContact O-N 2.93Å; M484-I488 WeakPolarHBondContact O-CD1 3.23Å; M484-I488 WeakPolarHBondContact O-CG1 3.24Å
485A39.3Very low41Very low69 Ų69110.4 Ų110.457%0.5763%0.633SS**Hα-helixtrans-67.7-39.6175.100000112V481 A482 C483V481-A485 WeakPolarHBondContact O-CB 3.28Å; V481-A485 PolarHBondContact O-N 2.98Å; A482-A485 PolarHBondContact O-N 2.92Å; C483-A485 VanDerWaalsContact C-N 3.34Å; C483-A485 PolarHBondContact O-N 3.43Å
486A37.3Very low40.1Very low68 Ų68109.4 Ų109.456%0.56264%0.644SS**Hα-helixtrans-73.2-34.9177.700000113.4A482 C483 I488A482-A486 PolarHBondContact O-N 3.24Å; C483-A486 PolarHBondContact O-N 3.45Å; A486-I488 VanDerWaalsContact C-N 3.25Å; A486-I488 PolarHBondContact O-N 2.84Å
487A37.2Very low38.9Very low63 Ų63114.4 Ų114.452%0.52167%0.665SS.*THydrogen-bonded Turntrans-72.8-9.6-174.700000115C483C483-A487 VanDerWaalsContact O-CB 3.23Å; C483-A487 WeakPolarHBondContact O-CB 3.32Å; C483-A487 PolarHBondContact O-N 2.9Å
488I42.1Very low38.4Very low144 Ų144117.8 Ų117.874%0.73868%0.683SS**THydrogen-bonded Turntrans-78.3-23.9-178.3-72.8168.1000112.6M484 A486M484-I488 WeakPolarHBondContact O-CD1 3.23Å; M484-I488 WeakPolarHBondContact O-CG1 3.24Å; A486-I488 VanDerWaalsContact C-N 3.25Å; A486-I488 PolarHBondContact O-N 2.84Å
489D33.9Very low37.4Very low150 Ų150121.9 Ų121.980%0.80270%0.699SS**SBendtrans-92.7-5.1-176.2-84.1-25.5000114.8
490T33.2Very low36.7Very low105 Ų105121.9 Ų121.964%0.64471%0.708SS**SBendtrans-142118.5-177.552.60000114.8
491A30.8Very low35.7Very low91 Ų91123.7 Ų123.775%0.75272%0.723SS**  trans66.6132.4170.600000115.2
492V33.9Very low35.7Very low124 Ų124125.1 Ų125.175%0.75274%0.735SS**  cis66.410221.3-1690000114.2
493E34.4Very low35Very low177 Ų177131.7 Ų131.783%0.82776%0.755SS**  trans64.5103.1167.3-64.2172.4-162.800117.3
494Q30.1Very low35Very low193 Ų193133.7 Ų133.790%0.90277%0.765SS**  -167.1-176109-10317317.200112.6
495E30.5Very low34.9Very low191 Ų191134.9 Ų134.989%0.89377%0.774SS**  trans-90.5173.5-150.9-61.1-178.1115.100115.9
496A38.3Very low34.7Very low93 Ų93141.6 Ų141.677%0.76978%0.784SS**  trans-76.6155.4-17700000113.9
497Q28.3Very low35.2Very low199 Ų199143 Ų14393%0.9379%0.791SS**  trans-141.7156.8146.4-113.6169.433.300110.8
498V39.4Very low35.8Very low126 Ų126143 Ų14376%0.76479%0.786SS**  trans-118.3136.2-173.3171.70000108.6T500V498-T500 HydrophobicContact CG1-CG2 4.13Å
499E27Very low36.1Very low193 Ų193141.4 Ų141.490%0.90278%0.779SS**  trans-148.4165.1152.7-131.9170.4-143.600111.5
500T33Very low37Very low123 Ų123137.7 Ų137.776%0.75576%0.762SS**  trans-139.2134.2-150.454.60000114.4V498V498-T500 HydrophobicContact CG1-CG2 4.13Å
501S27Very low38.4Very low119 Ų119136.5 Ų136.583%0.83275%0.748SS**  trans-155.5155.7148.555.90000111.3
502P48.4Very low40.1Very low121 Ų121134.4 Ų134.479%0.78673%0.726SS**  trans-117.3143-164.638.2-25.9000115.1
503E28.7Very low41.8Very low198 Ų198132.8 Ų132.893%0.92572%0.717SS**  trans-133.2151.9156.8-72-158.4143.500111.5
504T39.5Very low43.5Very low127 Ų127130.9 Ų130.978%0.77971%0.708SS**  trans-96.4169.6-165.448.80000113.7
505N39.9Very low45.6Very low159 Ų159122.9 Ų122.985%0.8567%0.67SS**SBendtrans73.341.7172.2-56.2-28.2000118.3
506R36.5Very low47.6Very low209 Ų209116.3 Ų116.379%0.78965%0.649SS**  trans-125.714.5170.2-133.5178.5-171-176.84.5116.5S508R506-S508 PolarHBondContact O-N 2.82Å
507S46.2Very low49.3Very low99 Ų99117.8 Ų117.869%0.69264%0.643SS**Hα-helixtrans-71.9-11.1-163.2550000117.8T510S507-T510 WeakPolarHBondContact CA-OG1 3.45Å; S507-T510 PolarHBondContact O-OG1 2.84Å; S507-T510 VanDerWaalsContact O-OG1 3.14Å
508S49.7Very low51.6Low61 Ų61114.2 Ų114.243%0.42762%0.621SS.*Hα-helixtrans-81.7-39.7-176.8-168.20000113.2R506R506-S508 PolarHBondContact O-N 2.82Å
509D50.3Low53.3Low111 Ų111112.6 Ų112.659%0.59461%0.605SS**Hα-helixtrans-85.9-25.9-177.4-65.1-37.3000112.1F511 T512 T513D509-F511 VanDerWaalsContact C-N 3.28Å; D509-F511 PolarHBondContact O-N 3.2Å; D509-T512 PolarHBondContact O-N 3.33Å; D509-T512 PolarHBondContact O-OG1 3.11Å; D509-T513 WeakPolarHBondContact O-CG2 3.42Å; D509-T513 PolarHBondContact O-N 3.07Å; D509-T513 PolarHBondContact O-OG1 3.39Å
510T52.6Low55.6Low72 Ų72106.3 Ų106.344%0.44259%0.586SS.*Hα-helixtrans-60-38.4174.850.10000112.1S507 T513 Q514S507-T510 WeakPolarHBondContact CA-OG1 3.45Å; S507-T510 PolarHBondContact O-OG1 2.84Å; S507-T510 VanDerWaalsContact O-OG1 3.14Å; T510-T513 PolarHBondContact O-OG1 3Å; T510-T513 VanDerWaalsContact O-OG1 3.13Å; T510-Q514 WeakPolarHBondContact O-CB 3.31Å; T510-Q514 PolarHBondContact O-N 3.43Å
511F62.1Low57.9Low80 Ų80105.6 Ų105.635%0.35157%0.574SS.*Hα-helixtrans-69.3-42.2-178.8-170-98.8000112.5D509 H515 F661 W664D509-F511 VanDerWaalsContact C-N 3.28Å; D509-F511 PolarHBondContact O-N 3.2Å; F511-H515 VanDerWaalsContact O-CB 3.3Å; F511-H515 WeakPolarHBondContact O-CB 3.48Å; F511-H515 PolarHBondContact O-N 3.23Å; F511-F661 HydrophobicContact CE1-CD2 4.31Å; F511-W664 HydrophobicContact CB-CZ2 4.34Å; F511-W664 AromaticContact CD1-CD2 3.63Å; F511-W664 HydrophobicContact CD1-CD2 3.63Å; F511-W664 AromaticContact CD1-CE2 3.45Å; F511-W664 VanDerWaalsContact CD1-CE2 3.45Å; F511-W664 HydrophobicContact CD1-CE3 4.07Å; F511-W664 HydrophobicContact CD1-CG 4.04Å; F511-W664 HydrophobicContact CD1-CH2 4.24Å; F511-W664 AromaticContact CD1-CZ2 3.79Å; F511-W664 HydrophobicContact CD1-CZ2 3.79Å; F511-W664 HydrophobicContact CD1-CZ3 4.36Å; F511-W664 AromaticContact CD1-NE1 3.69Å; F511-W664 HydrophobicContact CE1-CB 4.13Å; F511-W664 AromaticContact CE1-CD1 3.7Å; F511-W664 AromaticContact CE1-CD2 3.6Å; F511-W664 HydrophobicContact CE1-CD2 3.6Å; F511-W664 AromaticContact CE1-CE2 3.84Å; F511-W664 HydrophobicContact CE1-CE3 4.15Å; F511-W664 AromaticContact CE1-CG 3.56Å; F511-W664 HydrophobicContact CE1-CG 3.56Å; F511-W664 AromaticContact CE1-NE1 3.85Å; F511-W664 HydrophobicContact CG-CZ2 4.39Å; F511-W664 HydrophobicContact CZ-CG 4.32Å
512T65.6Low60.5Low47 Ų47100.9 Ų100.929%0.28854%0.539SS..Hα-helixtrans-68.9-41.6177.9460000112D509 A516 F661 W664D509-T512 PolarHBondContact O-N 3.33Å; D509-T512 PolarHBondContact O-OG1 3.11Å; T512-A516 WeakPolarHBondContact O-CB 3.38Å; T512-A516 PolarHBondContact O-N 3.14Å; T512-A516 VanDerWaalsContact O-N 3.16Å; T512-F661 HydrophobicContact CG2-CE2 4.17Å; T512-W664 HydrophobicContact CG2-CH2 3.57Å; T512-W664 HydrophobicContact CG2-CZ3 3.61Å
513T69.8Low61.9Low91 Ų9197.7 Ų97.756%0.55852%0.52SS*.Hα-helixtrans-67.5-42.9176.353.20000112.2D509 T510 A516 L517D509-T513 WeakPolarHBondContact O-CG2 3.42Å; D509-T513 PolarHBondContact O-N 3.07Å; D509-T513 PolarHBondContact O-OG1 3.39Å; T510-T513 PolarHBondContact O-OG1 3Å; T510-T513 VanDerWaalsContact O-OG1 3.13Å; T513-A516 PolarHBondContact O-N 3.48Å; T513-L517 WeakPolarHBondContact O-CB 3.15Å; T513-L517 PolarHBondContact O-N 3.37Å
514Q69.8Low64.5Low137 Ų13794.5 Ų94.564%0.6450%0.503SS*.Hα-helixtrans-67.5-38-179.3-170.7176.627.200112T510 R518T510-Q514 WeakPolarHBondContact O-CB 3.31Å; T510-Q514 PolarHBondContact O-N 3.43Å; Q514-R518 WeakPolarHBondContact O-CB 3.44Å; Q514-R518 PolarHBondContact O-N 3.28Å; Q514-R518 VanDerWaalsContact O-N 3.09Å
515H74.8Confident66.8Low25 Ų2592 Ų9212%0.11648%0.483CS..Hα-helixtrans-63.4-48.3174.2-177-91.8000112.2F511 L517 R518 Q519 D657 F661F511-H515 VanDerWaalsContact O-CB 3.3Å; F511-H515 WeakPolarHBondContact O-CB 3.48Å; F511-H515 PolarHBondContact O-N 3.23Å; H515-L517 VanDerWaalsContact C-N 3.34Å; H515-L517 PolarHBondContact O-N 3Å; H515-R518 PolarHBondContact O-N 3.47Å; H515-Q519 WeakPolarHBondContact O-CB 3.41Å; H515-Q519 PolarHBondContact O-N 2.99Å; H515-D657 PolarHBondContact NE2-O 3.17Å; H515-F661 HydrophobicContact CB-CD2 4.12Å; H515-F661 HydrophobicContact CB-CE2 4.44Å; H515-F661 AromaticContact CE1-CG 3.61Å; H515-F661 AromaticContact CG-CD2 3.66Å; H515-F661 AromaticContact ND1-CD2 3.61Å; H515-F661 AromaticContact ND1-CG 3.68Å; H515-F661 WeakPolarHBondContact NE2-CB 3.42Å; H515-F661 AromaticContact NE2-CG 3.96Å
516A71.8Confident69Low53 Ų5385.5 Ų85.544%0.43845%0.448SS..Hα-helixtrans-60.6-41.7179.100000112.5T512 T513 Q519 A520T512-A516 WeakPolarHBondContact O-CB 3.38Å; T512-A516 PolarHBondContact O-N 3.14Å; T512-A516 VanDerWaalsContact O-N 3.16Å; T513-A516 PolarHBondContact O-N 3.48Å; A516-Q519 PolarHBondContact O-N 3.08Å; A516-A520 WeakPolarHBondContact O-CB 3.29Å; A516-A520 PolarHBondContact O-N 2.94Å
517L75.2Confident71.3Confident124 Ų12478.9 Ų78.965%0.64943%0.43SS*.Hα-helixtrans-66.7-44.5180-154.8162000111.3T513 H515 A520 Q521T513-L517 WeakPolarHBondContact O-CB 3.15Å; T513-L517 PolarHBondContact O-N 3.37Å; H515-L517 VanDerWaalsContact C-N 3.34Å; H515-L517 PolarHBondContact O-N 3Å; L517-A520 PolarHBondContact O-N 3.37Å; L517-Q521 PolarHBondContact O-N 3.27Å
518R75.4Confident73.2Confident124 Ų12478.7 Ų78.747%0.46842%0.419SS..Hα-helixtrans-61.8-42.5173.7-179173.9167.1132.3-9.7112.3Q514 H515 A520 Q521 M522 D657Q514-R518 WeakPolarHBondContact O-CB 3.44Å; Q514-R518 PolarHBondContact O-N 3.28Å; Q514-R518 VanDerWaalsContact O-N 3.09Å; H515-R518 PolarHBondContact O-N 3.47Å; R518-A520 PolarHBondContact O-N 3.48Å; R518-Q521 PolarHBondContact O-N 2.95Å; R518-M522 VanDerWaalsContact O-CG 3.24Å; R518-M522 WeakPolarHBondContact O-CG 3.39Å; R518-M522 PolarHBondContact O-N 3.45Å; R518-M522 VanDerWaalsContact O-N 3.09Å; R518-D657 IonicContact CZ-OD2 3.55Å; R518-D657 VanDerWaalsContact CZ-OD2 3.28Å; R518-D657 IonicContact NE-OD2 3.46Å; R518-D657 PolarHBondContact NE-OD2 2.7Å; R518-D657 IonicContact NH2-OD1 3.22Å; R518-D657 IonicContact NH2-OD2 2.74Å; R518-D657 PolarHBondContact NH2-OD2 3.06Å
519Q76.3Confident75.2Confident91 Ų9177.4 Ų77.443%0.42541%0.406SS..Hα-helixtrans-64.9-38.2176.5-173.5173.866.300112.1H515 A516 S523H515-Q519 WeakPolarHBondContact O-CB 3.41Å; H515-Q519 PolarHBondContact O-N 2.99Å; A516-Q519 PolarHBondContact O-N 3.08Å; Q519-S523 WeakPolarHBondContact O-CB 3.46Å; Q519-S523 PolarHBondContact O-N 3.48Å
520A74.4Confident76.8Confident61 Ų6174.4 Ų74.450%0.50439%0.391SS..Hα-helixtrans-65-43175.500000112.2A516 L517 R518 S523 K524A516-A520 WeakPolarHBondContact O-CB 3.29Å; A516-A520 PolarHBondContact O-N 2.94Å; L517-A520 PolarHBondContact O-N 3.37Å; R518-A520 PolarHBondContact O-N 3.48Å; A520-S523 PolarHBondContact O-N 3.37Å; A520-K524 PolarHBondContact O-N 2.89Å
521Q81.1Confident78.5Confident109 Ų10977.1 Ų77.151%0.50940%0.396SS..Hα-helixtrans-60.1-53.3175.4177.9176.6-13.400111.7L517 R518 S523 K524 E525L517-Q521 PolarHBondContact O-N 3.27Å; R518-Q521 PolarHBondContact O-N 2.95Å; Q521-S523 PolarHBondContact O-N 3.46Å; Q521-K524 WeakPolarHBondContact O-CB 3.31Å; Q521-K524 PolarHBondContact O-N 3.45Å; Q521-E525 VanDerWaalsContact CG-OE1 3.24Å; Q521-E525 WeakPolarHBondContact CG-OE1 3.31Å; Q521-E525 PolarHBondContact NE2-OE1 2.81Å; Q521-E525 PolarHBondContact O-N 3.43Å
522M81.5Confident79.7Confident19 Ų1975.2 Ų75.29%0.09440%0.395CS..Hα-helixtrans-56.4-37.4177.9-64.4-78.1-70.700111.8R518 L526 L650 Q653 M654R518-M522 VanDerWaalsContact O-CG 3.24Å; R518-M522 WeakPolarHBondContact O-CG 3.39Å; R518-M522 PolarHBondContact O-N 3.45Å; R518-M522 VanDerWaalsContact O-N 3.09Å; M522-L526 WeakPolarHBondContact O-CB 3.49Å; M522-L526 PolarHBondContact O-N 3.2Å; M522-L650 HydrophobicContact CE-CD1 3.5Å; M522-L650 VanDerWaalsContact CE-CD1 3.5Å; M522-L650 HydrophobicContact CE-CG 4.05Å; M522-L650 HydrophobicContact SD-CD1 3.71Å; M522-Q653 HydrophobicContact CE-CB 3.72Å; M522-Q653 HydrophobicContact CE-CG 3.65Å; M522-M654 HydrophobicContact CB-CE 4.2Å; M522-M654 HydrophobicContact CB-CG 3.71Å; M522-M654 HydrophobicContact CB-SD 3.92Å; M522-M654 HydrophobicContact CE-CG 3.89Å; M522-M654 HydrophobicContact CG-CG 4.45Å
523S77.9Confident80.9Confident55 Ų5573.4 Ų73.439%0.38538%0.384SS..Hα-helixtrans-69.5-35.6176.6-167.90000113.3Q519 A520 Q521 V527Q519-S523 WeakPolarHBondContact O-CB 3.46Å; Q519-S523 PolarHBondContact O-N 3.48Å; A520-S523 PolarHBondContact O-N 3.37Å; Q521-S523 PolarHBondContact O-N 3.46Å; S523-V527 WeakPolarHBondContact O-CG2 3.26Å; S523-V527 PolarHBondContact O-N 3.33Å; S523-V527 VanDerWaalsContact O-N 3.09Å
524K85.1Confident81.7Confident130 Ų13071.7 Ų71.757%0.56538%0.379SS*.Hα-helixtrans-64.6-51.4174.3179.3-174.6169.9-172.60110.9A520 Q521 L526 V527 E528A520-K524 PolarHBondContact O-N 2.89Å; Q521-K524 WeakPolarHBondContact O-CB 3.31Å; Q521-K524 PolarHBondContact O-N 3.45Å; K524-L526 VanDerWaalsContact C-N 3.28Å; K524-L526 PolarHBondContact O-N 2.89Å; K524-V527 PolarHBondContact O-N 3.32Å; K524-E528 WeakPolarHBondContact CE-OE1 3.45Å; K524-E528 WeakPolarHBondContact CG-OE1 3.39Å; K524-E528 PolarHBondContact O-N 3.06Å
525E86.1Confident82.6Confident75 Ų7571.3 Ų71.335%0.3538%0.38SS..Hα-helixtrans-57.1-42.2177.4-69.1172.7-15800111.2Q521 V527 E528 L529 L650Q521-E525 VanDerWaalsContact CG-OE1 3.24Å; Q521-E525 WeakPolarHBondContact CG-OE1 3.31Å; Q521-E525 PolarHBondContact NE2-OE1 2.81Å; Q521-E525 PolarHBondContact O-N 3.43Å; E525-V527 PolarHBondContact O-N 3.16Å; E525-E528 PolarHBondContact O-N 3.36Å; E525-L529 VanDerWaalsContact O-CB 3.25Å; E525-L529 WeakPolarHBondContact O-CB 3.31Å; E525-L529 PolarHBondContact O-N 3.09Å; E525-L650 HydrophobicContact CB-CD2 3.95Å
526L86.9Confident83.2Confident23 Ų2373.3 Ų73.312%0.1239%0.389CS..Hα-helixtrans-61.5-39.6175-175.864.3000112.7M522 K524 N530 R647 L650 M651 M654M522-L526 WeakPolarHBondContact O-CB 3.49Å; M522-L526 PolarHBondContact O-N 3.2Å; K524-L526 VanDerWaalsContact C-N 3.28Å; K524-L526 PolarHBondContact O-N 2.89Å; L526-N530 WeakPolarHBondContact O-CB 3.43Å; L526-N530 PolarHBondContact O-N 3.4Å; L526-N530 PolarHBondContact O-ND2 3.4Å; L526-R647 HydrophobicContact CD1-CG 3.88Å; L526-L650 HydrophobicContact CB-CD2 3.81Å; L526-L650 HydrophobicContact CD1-CD2 4.29Å; L526-M651 HydrophobicContact CD1-CG 3.95Å; L526-M651 HydrophobicContact CD1-SD 4.13Å; L526-M651 HydrophobicContact CD2-CG 4.47Å; L526-M651 HydrophobicContact CD2-SD 3.67Å; L526-M654 HydrophobicContact CD2-SD 3.94Å
527V83.9Confident84Confident69 Ų6972.9 Ų72.942%0.41838%0.378SS..Hα-helixtrans-70-41.91781660000111.3S523 K524 E525 N530 K531S523-V527 WeakPolarHBondContact O-CG2 3.26Å; S523-V527 PolarHBondContact O-N 3.33Å; S523-V527 VanDerWaalsContact O-N 3.09Å; K524-V527 PolarHBondContact O-N 3.32Å; E525-V527 PolarHBondContact O-N 3.16Å; V527-N530 PolarHBondContact O-N 2.89Å; V527-K531 HydrophobicContact CG1-CD 4.28Å; V527-K531 WeakPolarHBondContact O-CG 3.32Å; V527-K531 PolarHBondContact O-N 2.85Å
528E88Confident84.5Confident96 Ų9669 Ų6945%0.44936%0.364SS..Hα-helixtrans-66.5-44.7178.4-72.2171.7-175.800111.5K524 E525 N530 K531 A532K524-E528 WeakPolarHBondContact CE-OE1 3.45Å; K524-E528 WeakPolarHBondContact CG-OE1 3.39Å; K524-E528 PolarHBondContact O-N 3.06Å; E525-E528 PolarHBondContact O-N 3.36Å; E528-N530 PolarHBondContact O-N 2.76Å; E528-K531 WeakPolarHBondContact O-CB 3.22Å; E528-K531 PolarHBondContact O-N 3.49Å; E528-A532 PolarHBondContact O-N 2.96Å
529L89.8Confident85.1Confident33 Ų3367.2 Ų67.217%0.17336%0.363CS..Hα-helixtrans-60.8-41.8174.3-170.566.1000111.8E525 A532 L533 M643 Q646 R647E525-L529 VanDerWaalsContact O-CB 3.25Å; E525-L529 WeakPolarHBondContact O-CB 3.31Å; E525-L529 PolarHBondContact O-N 3.09Å; L529-A532 PolarHBondContact O-N 3.43Å; L529-L533 WeakPolarHBondContact O-CB 3.45Å; L529-L533 PolarHBondContact O-N 3.49Å; L529-M643 HydrophobicContact CD1-CB 4.05Å; L529-M643 HydrophobicContact CD1-CG 4.23Å; L529-Q646 HydrophobicContact CD2-CB 4.09Å; L529-R647 HydrophobicContact CD2-CB 3.72Å
530N84.8Confident85.6Confident49 Ų4963 Ų6326%0.26234%0.344SS..Hα-helixtrans-65.2-38.2175.5-84.1-63.9000112.9L526 V527 E528 A534 R647L526-N530 WeakPolarHBondContact O-CB 3.43Å; L526-N530 PolarHBondContact O-N 3.4Å; L526-N530 PolarHBondContact O-ND2 3.4Å; V527-N530 PolarHBondContact O-N 2.89Å; E528-N530 PolarHBondContact O-N 2.76Å; N530-A534 WeakPolarHBondContact O-CB 3.44Å; N530-A534 PolarHBondContact O-N 3.3Å; N530-R647 WeakPolarHBondContact OD1-CD 3.48Å; N530-R647 VanDerWaalsContact OD1-CZ 3.23Å; N530-R647 PolarHBondContact OD1-NE 2.99Å; N530-R647 PolarHBondContact OD1-NH1 3.41Å
531K88.6Confident86.1Confident129 Ų12966.8 Ų66.856%0.56135%0.345SS*.Hα-helixtrans-61.8-49.8173.8-72.6167.1-179.41730111.1V527 E528 L533 A534 L535V527-K531 HydrophobicContact CG1-CD 4.28Å; V527-K531 WeakPolarHBondContact O-CG 3.32Å; V527-K531 PolarHBondContact O-N 2.85Å; E528-K531 WeakPolarHBondContact O-CB 3.22Å; E528-K531 PolarHBondContact O-N 3.49Å; K531-L533 VanDerWaalsContact C-N 3.32Å; K531-L533 PolarHBondContact O-N 2.95Å; K531-A534 PolarHBondContact O-N 3.32Å; K531-L535 WeakPolarHBondContact O-CG 3.47Å; K531-L535 PolarHBondContact O-N 2.71Å; K531-L535 VanDerWaalsContact O-N 3.08Å
532A87.7Confident86.4Confident39 Ų3968.4 Ų68.432%0.32235%0.351SS..Hα-helixtrans-60.3-42178.600000112.2E528 L529 L535 K536 M643E528-A532 PolarHBondContact O-N 2.96Å; L529-A532 PolarHBondContact O-N 3.43Å; A532-L535 PolarHBondContact O-N 3.45Å; A532-K536 PolarHBondContact O-N 3.28Å; A532-M643 HydrophobicContact CB-SD 4.47Å
533L89.4Confident86.4Confident10 Ų1070 Ų705%0.05236%0.358CS..Hα-helixtrans-67-42.8179.5-163.6159000111.7L529 K531 L535 K536 E537 M643 K644L529-L533 WeakPolarHBondContact O-CB 3.45Å; L529-L533 PolarHBondContact O-N 3.49Å; K531-L533 VanDerWaalsContact C-N 3.32Å; K531-L533 PolarHBondContact O-N 2.95Å; L533-L535 VanDerWaalsContact C-N 3.35Å; L533-L535 PolarHBondContact O-N 2.94Å; L533-K536 PolarHBondContact O-N 3.29Å; L533-E537 HydrophobicContact CD2-CG 4.11Å; L533-E537 WeakPolarHBondContact O-CB 3.41Å; L533-E537 WeakPolarHBondContact O-CG 3.32Å; L533-E537 PolarHBondContact O-N 2.99Å; L533-M643 HydrophobicContact CB-CE 4.22Å; L533-M643 HydrophobicContact CD1-CB 4.15Å; L533-M643 HydrophobicContact CG-CE 4.38Å; L533-K644 HydrophobicContact CD1-CG 3.78Å; L533-K644 HydrophobicContact CD2-CG 4.44Å; L533-K644 HydrophobicContact CG-CG 4.43Å
534A87.1Confident86.5Confident55 Ų5570.6 Ų70.646%0.45536%0.36SS..Hα-helixtrans-61.8-40.3174.400000112.6N530 K531 A538N530-A534 WeakPolarHBondContact O-CB 3.44Å; N530-A534 PolarHBondContact O-N 3.3Å; K531-A534 PolarHBondContact O-N 3.32Å; A534-A538 WeakPolarHBondContact O-CB 3.15Å; A534-A538 PolarHBondContact O-N 3.05Å
535L88Confident86.4Confident128 Ų12870 Ų7067%0.6736%0.359SS*.Hα-helixtrans-66.6-49.7176.5-71.4170.6000112.1K531 A532 L533 E537 A538 L539K531-L535 WeakPolarHBondContact O-CG 3.47Å; K531-L535 PolarHBondContact O-N 2.71Å; K531-L535 VanDerWaalsContact O-N 3.08Å; A532-L535 PolarHBondContact O-N 3.45Å; L533-L535 VanDerWaalsContact C-N 3.35Å; L533-L535 PolarHBondContact O-N 2.94Å; L535-E537 PolarHBondContact O-N 2.72Å; L535-A538 PolarHBondContact O-N 2.89Å; L535-L539 PolarHBondContact O-N 2.92Å
536K89.1Confident86.1Confident67 Ų6770.9 Ų70.929%0.29137%0.366SS..Hα-helixtrans-64.2-38.4177.9-67.3-158.9-168.1177.60112A532 L533 L539 A540 E639 I640 M643A532-K536 PolarHBondContact O-N 3.28Å; L533-K536 PolarHBondContact O-N 3.29Å; K536-L539 PolarHBondContact O-N 2.67Å; K536-A540 WeakPolarHBondContact O-CB 3.34Å; K536-A540 PolarHBondContact O-N 2.89Å; K536-E639 IonicContact NZ-OE2 3.36Å; K536-E639 PolarHBondContact NZ-OE2 3.39Å; K536-I640 HydrophobicContact CB-CD1 4.09Å; K536-I640 HydrophobicContact CB-CG1 3.79Å; K536-M643 HydrophobicContact CB-CE 4.11Å; K536-M643 HydrophobicContact CD-CE 3.67Å; K536-M643 HydrophobicContact CD-SD 4.35Å; K536-M643 HydrophobicContact CG-CE 4.09Å
537E87.8Confident85.6Confident45 Ų4571.1 Ų71.121%0.2137%0.368CS..Hα-helixtrans-64.6-39173.1-78.4-163.2169.900113.2L533 L535 L539 A540 R541 I640 K644L533-E537 HydrophobicContact CD2-CG 4.11Å; L533-E537 WeakPolarHBondContact O-CB 3.41Å; L533-E537 WeakPolarHBondContact O-CG 3.32Å; L533-E537 PolarHBondContact O-N 2.99Å; L535-E537 PolarHBondContact O-N 2.72Å; E537-L539 VanDerWaalsContact C-N 3.33Å; E537-A540 PolarHBondContact O-N 3.07Å; E537-R541 WeakPolarHBondContact O-CB 3.39Å; E537-R541 WeakPolarHBondContact O-CG 3.45Å; E537-R541 PolarHBondContact O-N 2.8Å; E537-R541 PolarHBondContact O-NE 3.47Å; E537-R541 IonicContact OE2-CZ 2.65Å; E537-R541 IonicContact OE2-NH1 3.46Å; E537-R541 PolarHBondContact OE2-NH1 3.27Å; E537-R541 IonicContact OE2-NH2 3.36Å; E537-R541 PolarHBondContact OE2-NH2 3.26Å; E537-I640 HydrophobicContact CG-CD1 4.39Å; E537-I640 HydrophobicContact CG-CG2 4.02Å; E537-K644 WeakPolarHBondContact OE1-CE 3.5Å; E537-K644 IonicContact OE1-NZ 3.63Å; E537-K644 PolarHBondContact OE1-NZ 3.25Å
538A86.3Confident85.2Confident43 Ų4371 Ų7136%0.35537%0.37SS..Hα-helixtrans-65.7-37.8176.700000111.8A534 L535 K542A534-A538 WeakPolarHBondContact O-CB 3.15Å; A534-A538 PolarHBondContact O-N 3.05Å; L535-A538 PolarHBondContact O-N 2.89Å; A538-K542 PolarHBondContact O-N 2.94Å
539L87.7Confident84.6Confident85 Ų8572.5 Ų72.545%0.44538%0.377SS..Hα-helixtrans-64.4-51.2172.2179.761.5000111.4L535 K536 E537 R541 K542 M543 L636L535-L539 PolarHBondContact O-N 2.92Å; K536-L539 PolarHBondContact O-N 2.67Å; E537-L539 VanDerWaalsContact C-N 3.33Å; L539-R541 PolarHBondContact O-N 3.33Å; L539-K542 PolarHBondContact O-N 3.42Å; L539-K542 VanDerWaalsContact O-N 3.15Å; L539-M543 HydrophobicContact CD1-CG 4.3Å; L539-M543 HydrophobicContact CD1-SD 4.19Å; L539-M543 HydrophobicContact CG-SD 4.21Å; L539-M543 WeakPolarHBondContact O-CG 3.26Å; L539-M543 PolarHBondContact O-N 3.13Å; L539-L636 HydrophobicContact CD2-CD1 4.14Å; L539-L636 HydrophobicContact CD2-CD2 4.46Å; L539-L636 HydrophobicContact CG-CD1 4.42Å
540A86.6Confident83.8Confident4 Ų474.9 Ų74.93%0.03339%0.389CS..Hα-helixtrans-57.6-46.2178.700000111.9K536 E537 K542 M543 T544 I640K536-A540 WeakPolarHBondContact O-CB 3.34Å; K536-A540 PolarHBondContact O-N 2.89Å; E537-A540 PolarHBondContact O-N 3.07Å; A540-K542 VanDerWaalsContact C-N 3.34Å; A540-K542 PolarHBondContact O-N 3.25Å; A540-M543 PolarHBondContact O-N 2.9Å; A540-T544 PolarHBondContact O-N 3.49Å; A540-T544 PolarHBondContact O-OG1 3.36Å; A540-T544 VanDerWaalsContact O-OG1 3.13Å; A540-I640 HydrophobicContact CB-CD1 3.75Å
541R85.3Confident83.2Confident140 Ų14077.3 Ų77.353%0.52840%0.399SS..Hα-helixtrans-55.8-44.6175.2-78.6-176.3-74.7-100.9-1.4112.4E537 L539 Q545E537-R541 WeakPolarHBondContact O-CB 3.39Å; E537-R541 WeakPolarHBondContact O-CG 3.45Å; E537-R541 PolarHBondContact O-N 2.8Å; E537-R541 PolarHBondContact O-NE 3.47Å; E537-R541 IonicContact OE2-CZ 2.65Å; E537-R541 IonicContact OE2-NH1 3.46Å; E537-R541 PolarHBondContact OE2-NH1 3.27Å; E537-R541 IonicContact OE2-NH2 3.36Å; E537-R541 PolarHBondContact OE2-NH2 3.26Å; L539-R541 PolarHBondContact O-N 3.33Å; R541-Q545 VanDerWaalsContact O-CB 3.31Å; R541-Q545 WeakPolarHBondContact O-CB 3.27Å; R541-Q545 PolarHBondContact O-N 2.96Å
542K85.8Confident82.6Confident143 Ų14375 Ų7562%0.62240%0.397SS*.Hα-helixtrans-65.1-42.4176.5-76.4-177.5174.7-175.90112.5A538 L539 A540 Q545 N546A538-K542 PolarHBondContact O-N 2.94Å; L539-K542 PolarHBondContact O-N 3.42Å; L539-K542 VanDerWaalsContact O-N 3.15Å; A540-K542 VanDerWaalsContact C-N 3.34Å; A540-K542 PolarHBondContact O-N 3.25Å; K542-Q545 PolarHBondContact O-N 2.84Å; K542-N546 PolarHBondContact O-N 3.13Å; K542-N546 VanDerWaalsContact O-N 3.08Å; K542-N546 PolarHBondContact O-OD1 2.93Å
543M82.4Confident81.9Confident52 Ų5276.6 Ų76.626%0.25640%0.399SS..Hα-helixtrans-66.8-45.5179.6-64.7-174.97700111.8L539 A540 Q545 N546 D547 V633 L636L539-M543 HydrophobicContact CD1-CG 4.3Å; L539-M543 HydrophobicContact CD1-SD 4.19Å; L539-M543 HydrophobicContact CG-SD 4.21Å; L539-M543 WeakPolarHBondContact O-CG 3.26Å; L539-M543 PolarHBondContact O-N 3.13Å; A540-M543 PolarHBondContact O-N 2.9Å; M543-Q545 VanDerWaalsContact C-N 3.31Å; M543-Q545 PolarHBondContact O-N 3.46Å; M543-N546 PolarHBondContact O-N 3.4Å; M543-D547 WeakPolarHBondContact O-CB 3.29Å; M543-D547 PolarHBondContact O-N 3.4Å; M543-V633 HydrophobicContact CB-CG2 3.65Å; M543-V633 HydrophobicContact CE-CG2 3.9Å; M543-V633 HydrophobicContact SD-CG2 4.3Å; M543-L636 HydrophobicContact SD-CD1 3.7Å
544T80.6Confident81.1Confident68 Ų6878.2 Ų78.242%0.41741%0.407SS..Hα-helixtrans-64.2-33.6175.3-52.40000112.4A540 D547 S548A540-T544 PolarHBondContact O-N 3.49Å; A540-T544 PolarHBondContact O-OG1 3.36Å; A540-T544 VanDerWaalsContact O-OG1 3.13Å; T544-D547 PolarHBondContact O-N 3Å; T544-S548 PolarHBondContact O-N 3.07Å; T544-S548 PolarHBondContact O-OG 3.03Å; T544-S548 VanDerWaalsContact O-OG 3.13Å
545Q82.6Confident80.7Confident116 Ų11682.1 Ų82.154%0.54241%0.411SS..Hα-helixtrans-64.1-43.9174-175.1174.38.600111.4R541 K542 M543 S548 Q549R541-Q545 VanDerWaalsContact O-CB 3.31Å; R541-Q545 WeakPolarHBondContact O-CB 3.27Å; R541-Q545 PolarHBondContact O-N 2.96Å; K542-Q545 PolarHBondContact O-N 2.84Å; M543-Q545 VanDerWaalsContact C-N 3.31Å; M543-Q545 PolarHBondContact O-N 3.46Å; Q545-S548 PolarHBondContact O-OG 2.89Å; Q545-Q549 PolarHBondContact O-N 2.85Å
546N79.3Confident80.2Confident94 Ų9482 Ų8250%0.50341%0.407SS..Hα-helixtrans-66.4-40.5175.4-66.7-3.1000111.7K542 M543 S548 Q549 L550K542-N546 PolarHBondContact O-N 3.13Å; K542-N546 VanDerWaalsContact O-N 3.08Å; K542-N546 PolarHBondContact O-OD1 2.93Å; M543-N546 PolarHBondContact O-N 3.4Å; N546-S548 PolarHBondContact O-N 3.45Å; N546-Q549 WeakPolarHBondContact O-CB 3.46Å; N546-Q549 PolarHBondContact O-N 3.32Å; N546-L550 WeakPolarHBondContact O-CG 3.5Å; N546-L550 PolarHBondContact O-N 3.38Å; N546-L550 VanDerWaalsContact O-N 3.15Å
547D76.7Confident79.8Confident29 Ų2982.9 Ų82.916%0.15541%0.409CS..Hα-helixtrans-67.9-35.8-177-159.710.4000112.9M543 T544 L550 Q551 K626M543-D547 WeakPolarHBondContact O-CB 3.29Å; M543-D547 PolarHBondContact O-N 3.4Å; T544-D547 PolarHBondContact O-N 3Å; D547-L550 CarbonylContact O-C 3.57Å; D547-L550 PolarHBondContact O-N 2.93Å; D547-L550 VanDerWaalsContact O-N 3.13Å; D547-Q551 PolarHBondContact O-N 3.32Å; D547-K626 WeakPolarHBondContact OD1-CE 3.41Å; D547-K626 IonicContact OD1-NZ 3.37Å; D547-K626 PolarHBondContact OD1-NZ 3.12Å
548S74.9Confident79.5Confident67 Ų6783.9 Ų83.947%0.46941%0.414SS..Hα-helixtrans-67.6-32.2172.7600000113.2T544 Q545 N546 L550 Q551 P552T544-S548 PolarHBondContact O-N 3.07Å; T544-S548 PolarHBondContact O-OG 3.03Å; T544-S548 VanDerWaalsContact O-OG 3.13Å; Q545-S548 PolarHBondContact O-OG 2.89Å; N546-S548 PolarHBondContact O-N 3.45Å; S548-L550 VanDerWaalsContact C-N 3.28Å; S548-L550 PolarHBondContact O-N 3.27Å; S548-Q551 WeakPolarHBondContact O-CB 3.28Å; S548-Q551 PolarHBondContact O-N 3.46Å; S548-P552 WeakPolarHBondContact O-CD 3.5Å
549Q77.1Confident79.3Confident126 Ų12685.4 Ų85.459%0.58942%0.416SS*.Hα-helixtrans-68.3-28.5170.3-67.3176.8300112.4Q545 N546 Q551Q545-Q549 PolarHBondContact O-N 2.85Å; N546-Q549 WeakPolarHBondContact O-CB 3.46Å; N546-Q549 PolarHBondContact O-N 3.32Å; Q549-Q551 VanDerWaalsContact C-N 3.33Å
550L71.3Confident79.1Confident83 Ų8384.3 Ų84.344%0.43541%0.41SS..THydrogen-bonded Turntrans-863.8175.6-65.4170.3000113.5N546 D547 S548 I553 Q554 K626N546-L550 WeakPolarHBondContact O-CG 3.5Å; N546-L550 PolarHBondContact O-N 3.38Å; N546-L550 VanDerWaalsContact O-N 3.15Å; D547-L550 CarbonylContact O-C 3.57Å; D547-L550 PolarHBondContact O-N 2.93Å; D547-L550 VanDerWaalsContact O-N 3.13Å; S548-L550 VanDerWaalsContact C-N 3.28Å; S548-L550 PolarHBondContact O-N 3.27Å; L550-I553 HydrophobicContact CD2-CD1 4.47Å; L550-Q554 PolarHBondContact O-N 2.79Å; L550-K626 PolarHBondContact O-NZ 2.93Å
551Q72.6Confident79Confident101 Ų10185.2 Ų85.247%0.47241%0.414SS..Hα-helixtrans-80.2-46.6-179.4-137.7-177.618.700113.6D547 S548 Q549 I553 Q554 Y555D547-Q551 PolarHBondContact O-N 3.32Å; S548-Q551 WeakPolarHBondContact O-CB 3.28Å; S548-Q551 PolarHBondContact O-N 3.46Å; Q549-Q551 VanDerWaalsContact C-N 3.33Å; Q551-I553 VanDerWaalsContact C-N 3.27Å; Q551-I553 PolarHBondContact O-N 2.63Å; Q551-Q554 WeakPolarHBondContact O-CB 3.12Å; Q551-Q554 PolarHBondContact O-N 2.59Å; Q551-Q554 VanDerWaalsContact O-N 3.13Å; Q551-Y555 WeakPolarHBondContact O-CD2 3.49Å; Q551-Y555 PolarHBondContact O-N 3.48Å
552P77.6Confident79Confident80 Ų8083.9 Ų83.952%0.51941%0.412SS..Hα-helixtrans-61.5-37.2175.9-23.434.8000112.6S548 Q554 Y555 Q556S548-P552 WeakPolarHBondContact O-CD 3.5Å; P552-Q554 VanDerWaalsContact C-N 3.31Å; P552-Q554 PolarHBondContact O-N 3.17Å; P552-Y555 PolarHBondContact O-N 2.95Å; P552-Q556 PolarHBondContact O-N 2.9Å
553I73.1Confident79Confident72 Ų7283.4 Ų83.437%0.36941%0.412SS..Hα-helixtrans-65.2-34.6177.1-64.9171.1000111.1L550 Q551 Q556 Y557L550-I553 HydrophobicContact CD2-CD1 4.47Å; Q551-I553 VanDerWaalsContact C-N 3.27Å; Q551-I553 PolarHBondContact O-N 2.63Å; I553-Q556 PolarHBondContact O-N 3.33Å; I553-Y557 HydrophobicContact CG2-CD2 3.68Å; I553-Y557 HydrophobicContact CG2-CE2 3.37Å; I553-Y557 VanDerWaalsContact O-CD2 3.24Å; I553-Y557 WeakPolarHBondContact O-CD2 3.46Å; I553-Y557 PolarHBondContact O-N 3.34Å
554Q70.8Confident79.2Confident44 Ų4482.4 Ų82.421%0.20641%0.408CS..Hα-helixtrans-64.7-44.2175.3179.4-177.5-1.800112.2L550 Q551 P552 Y557 Q558 L623 K626L550-Q554 PolarHBondContact O-N 2.79Å; Q551-Q554 WeakPolarHBondContact O-CB 3.12Å; Q551-Q554 PolarHBondContact O-N 2.59Å; Q551-Q554 VanDerWaalsContact O-N 3.13Å; P552-Q554 VanDerWaalsContact C-N 3.31Å; P552-Q554 PolarHBondContact O-N 3.17Å; Q554-Y557 PolarHBondContact O-N 2.93Å; Q554-Q558 WeakPolarHBondContact O-CG 3.39Å; Q554-Q558 PolarHBondContact O-N 2.98Å; Q554-L623 HydrophobicContact CG-CD2 3.91Å; Q554-K626 HydrophobicContact CB-CD 4.41Å; Q554-K626 HydrophobicContact CG-CD 4.46Å
555Y79.3Confident79.4Confident138 Ų13883.5 Ų83.554%0.54141%0.408SS..Hα-helixtrans-61.1-46176.3-77.2-75.3000111.1Q551 P552 Y557 Q558 D559Q551-Y555 WeakPolarHBondContact O-CD2 3.49Å; Q551-Y555 PolarHBondContact O-N 3.48Å; P552-Y555 PolarHBondContact O-N 2.95Å; Y555-Y557 PolarHBondContact O-N 2.89Å; Y555-Q558 PolarHBondContact O-N 2.95Å; Y555-Q558 VanDerWaalsContact O-N 3.12Å; Y555-D559 PolarHBondContact O-N 3.07Å
556Q78.8Confident79.6Confident125 Ų12583 Ų8358%0.58441%0.409SS*.Hα-helixtrans-57.2-45.1175-70.2177.1-15.900112.3P552 I553 D559 N560P552-Q556 PolarHBondContact O-N 2.9Å; I553-Q556 PolarHBondContact O-N 3.33Å; Q556-D559 PolarHBondContact O-N 2.97Å; Q556-N560 VanDerWaalsContact O-CB 3.26Å; Q556-N560 WeakPolarHBondContact O-CB 3.32Å; Q556-N560 PolarHBondContact O-N 2.89Å; Q556-N560 PolarHBondContact O-ND2 2.84Å
557Y79.9Confident80Confident85 Ų8583.2 Ų83.233%0.33341%0.407SS..Hα-helixtrans-68.2-33.7175.2-73.7-53000113.7I553 Q554 Y555 I561 Q619I553-Y557 HydrophobicContact CG2-CD2 3.68Å; I553-Y557 HydrophobicContact CG2-CE2 3.37Å; I553-Y557 VanDerWaalsContact O-CD2 3.24Å; I553-Y557 WeakPolarHBondContact O-CD2 3.46Å; I553-Y557 PolarHBondContact O-N 3.34Å; Q554-Y557 PolarHBondContact O-N 2.93Å; Y555-Y557 PolarHBondContact O-N 2.89Å; Y557-I561 WeakPolarHBondContact O-CB 3.39Å; Y557-I561 WeakPolarHBondContact O-CD1 3.49Å; Y557-I561 WeakPolarHBondContact O-CG1 3.42Å; Y557-I561 PolarHBondContact O-N 2.84Å; Y557-Q619 HydrophobicContact CD1-CG 4.13Å; Y557-Q619 HydrophobicContact CE1-CG 4.46Å
558Q81.1Confident80.5Confident67 Ų6782.6 Ų82.631%0.31340%0.404SS..Hα-helixtrans-68.6-37.3175.6-78.2-174.9-21.300112.7Q554 Y555 K562 L623Q554-Q558 WeakPolarHBondContact O-CG 3.39Å; Q554-Q558 PolarHBondContact O-N 2.98Å; Y555-Q558 PolarHBondContact O-N 2.95Å; Y555-Q558 VanDerWaalsContact O-N 3.12Å; Q558-K562 WeakPolarHBondContact O-CE 3.43Å; Q558-K562 WeakPolarHBondContact O-CG 3.33Å; Q558-K562 PolarHBondContact O-N 3.23Å; Q558-L623 HydrophobicContact CG-CD1 4.06Å; Q558-L623 HydrophobicContact CG-CD2 4.22Å
559D83Confident81.1Confident75 Ų7583.5 Ų83.540%0.40140%0.403SS..Hα-helixtrans-76.3-41.5177.3-67-31.5000111.4Y555 Q556 I561 K562 E563Y555-D559 PolarHBondContact O-N 3.07Å; Q556-D559 PolarHBondContact O-N 2.97Å; D559-I561 PolarHBondContact O-N 3.49Å; D559-K562 WeakPolarHBondContact O-CB 3.46Å; D559-K562 PolarHBondContact O-N 2.89Å; D559-K562 IonicContact OD1-NZ 2.73Å; D559-K562 PolarHBondContact OD1-NZ 2.98Å; D559-E563 PolarHBondContact O-N 3.35Å
560N83.6Confident81.6Confident62 Ų6280.9 Ų80.933%0.33239%0.393SS..Hα-helixtrans-55.4-38.7169.8-72.4-28.7000112.4Q556 E563 L564Q556-N560 VanDerWaalsContact O-CB 3.26Å; Q556-N560 WeakPolarHBondContact O-CB 3.32Å; Q556-N560 PolarHBondContact O-N 2.89Å; Q556-N560 PolarHBondContact O-ND2 2.84Å; N560-E563 PolarHBondContact O-N 3.28Å; N560-L564 WeakPolarHBondContact O-CB 3.39Å; N560-L564 WeakPolarHBondContact O-CD1 3.48Å; N560-L564 WeakPolarHBondContact O-CG 3.36Å; N560-L564 PolarHBondContact O-N 3.35Å
561I83.9Confident82.3Confident22 Ų2277.9 Ų77.911%0.11338%0.377CS..Hα-helixtrans-62.2-46.2175.1-82.1168000111.1Y557 D559 E563 L564 E565 L616 Q619 L623Y557-I561 WeakPolarHBondContact O-CB 3.39Å; Y557-I561 WeakPolarHBondContact O-CD1 3.49Å; Y557-I561 WeakPolarHBondContact O-CG1 3.42Å; Y557-I561 PolarHBondContact O-N 2.84Å; D559-I561 PolarHBondContact O-N 3.49Å; I561-E563 PolarHBondContact O-N 3.28Å; I561-L564 PolarHBondContact O-N 3.27Å; I561-E565 WeakPolarHBondContact O-CB 3.25Å; I561-E565 VanDerWaalsContact O-CG 3.31Å; I561-E565 WeakPolarHBondContact O-CG 3.46Å; I561-E565 PolarHBondContact O-N 3.43Å; I561-L616 HydrophobicContact CB-CD1 4.29Å; I561-L616 HydrophobicContact CG1-CD1 4.15Å; I561-L616 HydrophobicContact CG2-CD1 3.98Å; I561-Q619 HydrophobicContact CD1-CB 3.96Å; I561-Q619 HydrophobicContact CG1-CB 3.96Å; I561-L623 HydrophobicContact CD1-CD1 3.53Å
562K85.3Confident82.8Confident113 Ų11375.7 Ų75.749%0.49137%0.367SS..Hα-helixtrans-63.2-41.5177.9-63.7162.3-158.5164.40111.8Q558 D559 E565 L566Q558-K562 WeakPolarHBondContact O-CE 3.43Å; Q558-K562 WeakPolarHBondContact O-CG 3.33Å; Q558-K562 PolarHBondContact O-N 3.23Å; D559-K562 WeakPolarHBondContact O-CB 3.46Å; D559-K562 PolarHBondContact O-N 2.89Å; D559-K562 IonicContact OD1-NZ 2.73Å; D559-K562 PolarHBondContact OD1-NZ 2.98Å; K562-E565 PolarHBondContact O-N 3.35Å; K562-L566 WeakPolarHBondContact O-CB 3.49Å; K562-L566 PolarHBondContact O-N 3.08Å
563E85.7Confident83.2Confident132 Ų13277.1 Ų77.162%0.61737%0.365SS*.Hα-helixtrans-63.7-46.3176.5-70.8-176.8175.200111.2D559 N560 I561 E565 L566 E567D559-E563 PolarHBondContact O-N 3.35Å; N560-E563 PolarHBondContact O-N 3.28Å; I561-E563 PolarHBondContact O-N 3.28Å; E563-E565 VanDerWaalsContact C-N 3.34Å; E563-E565 PolarHBondContact O-N 3.29Å; E563-L566 PolarHBondContact O-N 3.08Å; E563-E567 WeakPolarHBondContact O-CB 3.32Å; E563-E567 PolarHBondContact O-N 3.06Å
564L85.6Confident83.8Confident32 Ų3276.7 Ų76.717%0.16836%0.361CS..Hα-helixtrans-64.6-34.8176.1-70.8169.4000112.8N560 I561 V568 L612 L616N560-L564 WeakPolarHBondContact O-CB 3.39Å; N560-L564 WeakPolarHBondContact O-CD1 3.48Å; N560-L564 WeakPolarHBondContact O-CG 3.36Å; N560-L564 PolarHBondContact O-N 3.35Å; I561-L564 PolarHBondContact O-N 3.27Å; L564-V568 WeakPolarHBondContact O-CB 3.33Å; L564-V568 VanDerWaalsContact O-CG2 3.24Å; L564-V568 WeakPolarHBondContact O-CG2 3.33Å; L564-V568 PolarHBondContact O-N 3.07Å; L564-L612 HydrophobicContact CD2-CD2 3.61Å; L564-L616 HydrophobicContact CB-CD1 4.25Å
565E84.8Confident84.3Confident91 Ų9176.6 Ų76.643%0.42536%0.36SS..Hα-helixtrans-67.1-43.2172.9-76.8173.3171.900111.7I561 K562 E563 V568 I569 L616I561-E565 WeakPolarHBondContact O-CB 3.25Å; I561-E565 VanDerWaalsContact O-CG 3.31Å; I561-E565 WeakPolarHBondContact O-CG 3.46Å; I561-E565 PolarHBondContact O-N 3.43Å; K562-E565 PolarHBondContact O-N 3.35Å; E563-E565 VanDerWaalsContact C-N 3.34Å; E563-E565 PolarHBondContact O-N 3.29Å; E565-V568 PolarHBondContact O-N 3.08Å; E565-I569 WeakPolarHBondContact O-CB 3.5Å; E565-I569 WeakPolarHBondContact O-CD1 3.42Å; E565-I569 VanDerWaalsContact O-CG1 3.24Å; E565-I569 WeakPolarHBondContact O-CG1 3.47Å; E565-I569 PolarHBondContact O-N 2.69Å; E565-L616 HydrophobicContact CG-CD1 3.72Å; E565-L616 HydrophobicContact CG-CD2 3.93Å; E565-L616 HydrophobicContact CG-CG 4.49Å
566L88.1Confident84.5Confident106 Ų10675 Ų7556%0.55536%0.357SS*.Hα-helixtrans-63.6-43.9176.4-161.579000111.4K562 E563 I569 N570K562-L566 WeakPolarHBondContact O-CB 3.49Å; K562-L566 PolarHBondContact O-N 3.08Å; E563-L566 PolarHBondContact O-N 3.08Å; L566-I569 PolarHBondContact O-N 3.41Å; L566-N570 PolarHBondContact O-N 2.67Å; L566-N570 PolarHBondContact O-ND2 3.2Å
567E87.3Confident84.8Confident98 Ų9875.5 Ų75.546%0.45836%0.36SS..Hα-helixtrans-61.6-44.6176.5-165.471.4173.800111.2E563 I569 N570 L571 L612E563-E567 WeakPolarHBondContact O-CB 3.32Å; E563-E567 PolarHBondContact O-N 3.06Å; E567-I569 VanDerWaalsContact C-N 3.35Å; E567-I569 PolarHBondContact O-N 2.92Å; E567-N570 PolarHBondContact O-N 2.7Å; E567-L571 HydrophobicContact CG-CD1 4.21Å; E567-L571 WeakPolarHBondContact O-CG 3.42Å; E567-L571 PolarHBondContact O-N 3.14Å; E567-L612 HydrophobicContact CG-CD1 4.02Å
568V86.4Confident84.8Confident15 Ų1572.6 Ų72.69%0.09135%0.35CS..Hα-helixtrans-60.6-42.2173.3163.10000111.6L564 E565 Q572 L612 K613L564-V568 WeakPolarHBondContact O-CB 3.33Å; L564-V568 VanDerWaalsContact O-CG2 3.24Å; L564-V568 WeakPolarHBondContact O-CG2 3.33Å; L564-V568 PolarHBondContact O-N 3.07Å; E565-V568 PolarHBondContact O-N 3.08Å; V568-Q572 WeakPolarHBondContact O-CB 3.07Å; V568-Q572 PolarHBondContact O-N 2.78Å; V568-L612 HydrophobicContact CG2-CB 3.52Å; V568-L612 HydrophobicContact CG2-CD1 4.16Å; V568-L612 HydrophobicContact CG2-CG 4.47Å; V568-K613 HydrophobicContact CG1-CD 4.46Å; V568-K613 HydrophobicContact CG1-CG 4.25Å; V568-K613 HydrophobicContact CG2-CG 4.25Å
569I88Confident84.8Confident86 Ų8671.5 Ų71.544%0.44135%0.348SS..Hα-helixtrans-64.8-39.4177.3-72.2162.6000111.2E565 L566 E567 K573E565-I569 WeakPolarHBondContact O-CB 3.5Å; E565-I569 WeakPolarHBondContact O-CD1 3.42Å; E565-I569 VanDerWaalsContact O-CG1 3.24Å; E565-I569 WeakPolarHBondContact O-CG1 3.47Å; E565-I569 PolarHBondContact O-N 2.69Å; L566-I569 PolarHBondContact O-N 3.41Å; E567-I569 VanDerWaalsContact C-N 3.35Å; E567-I569 PolarHBondContact O-N 2.92Å; I569-K573 WeakPolarHBondContact O-CG 3.34Å; I569-K573 PolarHBondContact O-N 3.48Å
570N87Confident84.6Confident71 Ų7173.3 Ų73.338%0.3836%0.357SS..Hα-helixtrans-68.9-46.5179.4-68.5-24.8000111.9L566 E567 Q572 K573 E574L566-N570 PolarHBondContact O-N 2.67Å; L566-N570 PolarHBondContact O-ND2 3.2Å; E567-N570 PolarHBondContact O-N 2.7Å; N570-Q572 VanDerWaalsContact C-N 3.3Å; N570-Q572 PolarHBondContact O-N 2.88Å; N570-K573 WeakPolarHBondContact O-CB 3.42Å; N570-K573 PolarHBondContact O-N 2.9Å; N570-K573 VanDerWaalsContact O-N 3.17Å; N570-E574 PolarHBondContact O-N 3.05Å
571L86.4Confident84.3Confident20 Ų2074.2 Ų74.211%0.10536%0.359CS..Hα-helixtrans-66.5-33176-66167.4000112.1E567 K573 E574 K575 L605 I609 L612E567-L571 HydrophobicContact CG-CD1 4.21Å; E567-L571 WeakPolarHBondContact O-CG 3.42Å; E567-L571 PolarHBondContact O-N 3.14Å; L571-K573 VanDerWaalsContact C-N 3.34Å; L571-E574 PolarHBondContact O-N 2.8Å; L571-K575 WeakPolarHBondContact O-CB 3.45Å; L571-K575 PolarHBondContact O-N 2.61Å; L571-L605 HydrophobicContact CD2-CD2 3.66Å; L571-I609 HydrophobicContact CB-CD1 4.05Å; L571-I609 HydrophobicContact CB-CG1 3.73Å; L571-L612 HydrophobicContact CD1-CD1 3.4Å
572Q83.4Confident83.6Confident56 Ų5674.6 Ų74.626%0.26236%0.361SS..Hα-helixtrans-63.9-37.8173.1-175.679.145.800111.2V568 N570 E576V568-Q572 WeakPolarHBondContact O-CB 3.07Å; V568-Q572 PolarHBondContact O-N 2.78Å; N570-Q572 VanDerWaalsContact C-N 3.3Å; N570-Q572 PolarHBondContact O-N 2.88Å; Q572-E576 WeakPolarHBondContact CG-OE1 3.4Å; Q572-E576 PolarHBondContact NE2-OE1 2.87Å; Q572-E576 WeakPolarHBondContact O-CB 3.43Å; Q572-E576 WeakPolarHBondContact O-CG 3.41Å; Q572-E576 PolarHBondContact O-N 3.24Å
573K86.6Confident82.9Confident110 Ų11074.8 Ų74.848%0.47836%0.364SS..Hα-helixtrans-68.1-47.6171.2-70.1168.5-176.8170.90112.8I569 N570 L571 K575 E576 E577I569-K573 WeakPolarHBondContact O-CG 3.34Å; I569-K573 PolarHBondContact O-N 3.48Å; N570-K573 WeakPolarHBondContact O-CB 3.42Å; N570-K573 PolarHBondContact O-N 2.9Å; N570-K573 VanDerWaalsContact O-N 3.17Å; L571-K573 VanDerWaalsContact C-N 3.34Å; K573-K575 PolarHBondContact O-N 3.35Å; K573-E576 PolarHBondContact O-N 3.38Å; K573-E577 WeakPolarHBondContact O-CG 3.38Å; K573-E577 PolarHBondContact O-N 3.12Å
574E84.1Confident82.1Confident62 Ų6273 Ų7329%0.2936%0.362SS..Hα-helixtrans-55.1-41.8175.8-171.2-168.9150.500110.4N570 L571 L578 R601 L605N570-E574 PolarHBondContact O-N 3.05Å; L571-E574 PolarHBondContact O-N 2.8Å; E574-L578 HydrophobicContact CG-CD1 4.07Å; E574-L578 WeakPolarHBondContact O-CB 3.4Å; E574-L578 VanDerWaalsContact O-CG 3.29Å; E574-L578 WeakPolarHBondContact O-CG 3.48Å; E574-L578 PolarHBondContact O-N 2.83Å; E574-R601 IonicContact OE1-CZ 3.7Å; E574-R601 VanDerWaalsContact OE1-CZ 3.28Å; E574-R601 IonicContact OE1-NE 3.28Å; E574-R601 PolarHBondContact OE1-NE 3.38Å; E574-R601 IonicContact OE1-NH2 2.77Å; E574-R601 PolarHBondContact OE1-NH2 3.48Å; E574-R601 IonicContact OE2-NH2 3.85Å; E574-R601 PolarHBondContact OE2-NH2 2.84Å; E574-L605 HydrophobicContact CB-CD1 4.36Å; E574-L605 HydrophobicContact CG-CD1 3.97Å
575K83.1Confident81Confident43 Ų4372.4 Ų72.419%0.18736%0.362CS..Hα-helixtrans-61.7-47.1173.6179.7-175.8167.5179.60112.2L571 K573 L578 V579 L602 E606 I609L571-K575 WeakPolarHBondContact O-CB 3.45Å; L571-K575 PolarHBondContact O-N 2.61Å; K573-K575 PolarHBondContact O-N 3.35Å; K575-L578 PolarHBondContact O-N 3.19Å; K575-V579 HydrophobicContact CG-CG2 4.48Å; K575-V579 WeakPolarHBondContact O-CB 3.23Å; K575-V579 VanDerWaalsContact O-CG2 3.24Å; K575-V579 WeakPolarHBondContact O-CG2 3.44Å; K575-V579 PolarHBondContact O-N 2.97Å; K575-L602 HydrophobicContact CG-CD2 4.32Å; K575-L602 HydrophobicContact CG-CG 4.34Å; K575-E606 HydrophobicContact CD-CG 3.96Å; K575-E606 VanDerWaalsContact CE-OE1 3.27Å; K575-E606 WeakPolarHBondContact CE-OE1 3.3Å; K575-E606 IonicContact NZ-OE1 3.52Å; K575-E606 PolarHBondContact NZ-OE1 2.71Å; K575-I609 HydrophobicContact CB-CD1 4.4Å; K575-I609 HydrophobicContact CD-CD1 4.24Å
576E82.9Confident79.6Confident103 Ų10376.4 Ų76.448%0.48138%0.378SS..Hα-helixtrans-67.5-37.7-177.9-77.6164.7-157.200112.4Q572 K573 V579 L580Q572-E576 WeakPolarHBondContact CG-OE1 3.4Å; Q572-E576 PolarHBondContact NE2-OE1 2.87Å; Q572-E576 WeakPolarHBondContact O-CB 3.43Å; Q572-E576 WeakPolarHBondContact O-CG 3.41Å; Q572-E576 PolarHBondContact O-N 3.24Å; K573-E576 PolarHBondContact O-N 3.38Å; E576-V579 WeakPolarHBondContact O-CB 3.18Å; E576-V579 PolarHBondContact O-N 3.16Å; E576-L580 PolarHBondContact O-N 3.3Å
577E84.2Confident78.1Confident136 Ų13680.3 Ų80.364%0.63639%0.39SS*.Hα-helixtrans-63.4-48.6171.1-70.3174.5-175.800111.4K573 V579 L580 E581K573-E577 WeakPolarHBondContact O-CG 3.38Å; K573-E577 PolarHBondContact O-N 3.12Å; E577-V579 VanDerWaalsContact C-N 3.29Å; E577-V579 PolarHBondContact O-N 3.33Å; E577-L580 WeakPolarHBondContact O-CA 3.21Å; E577-L580 WeakPolarHBondContact O-CB 3.44Å; E577-L580 PolarHBondContact O-N 3.09Å; E577-E581 WeakPolarHBondContact O-CG 3.48Å; E577-E581 PolarHBondContact O-N 3Å
578L80.1Confident76.7Confident24 Ų2480.8 Ų80.813%0.12640%0.396CS..Hα-helixtrans-63.4-31.5175.4-75.7169.6000113.2E574 K575 L582 R598 R601 L605E574-L578 HydrophobicContact CG-CD1 4.07Å; E574-L578 WeakPolarHBondContact O-CB 3.4Å; E574-L578 VanDerWaalsContact O-CG 3.29Å; E574-L578 WeakPolarHBondContact O-CG 3.48Å; E574-L578 PolarHBondContact O-N 2.83Å; K575-L578 PolarHBondContact O-N 3.19Å; L578-L582 WeakPolarHBondContact O-CB 3.35Å; L578-L582 WeakPolarHBondContact O-CG 3.19Å; L578-L582 PolarHBondContact O-N 2.93Å; L578-R598 HydrophobicContact CD2-CG 4.31Å; L578-R601 HydrophobicContact CD1-CG 3.85Å; L578-L605 HydrophobicContact CD1-CD1 3.54Å
579V80.6Confident75.2Confident45 Ų4586.6 Ų86.627%0.27343%0.431SS..Hα-helixtrans-65.1-44.5169.81650000110.4K575 E576 E577 L582 Q583 L602K575-V579 HydrophobicContact CG-CG2 4.48Å; K575-V579 WeakPolarHBondContact O-CB 3.23Å; K575-V579 VanDerWaalsContact O-CG2 3.24Å; K575-V579 WeakPolarHBondContact O-CG2 3.44Å; K575-V579 PolarHBondContact O-N 2.97Å; E576-V579 WeakPolarHBondContact O-CB 3.18Å; E576-V579 PolarHBondContact O-N 3.16Å; E577-V579 VanDerWaalsContact C-N 3.29Å; E577-V579 PolarHBondContact O-N 3.33Å; V579-L582 PolarHBondContact O-N 3.48Å; V579-Q583 WeakPolarHBondContact O-CG 3.43Å; V579-Q583 PolarHBondContact O-N 2.89Å; V579-L602 HydrophobicContact CG2-CD1 3.65Å; V579-L602 HydrophobicContact CG2-CG 4.45Å
580L79.6Confident73.7Confident113 Ų11390 Ų9059%0.59245%0.451SS*.Hα-helixtrans-62.2-46177.2-13079.5000111.3E576 E577 L582 Q583 T584E576-L580 PolarHBondContact O-N 3.3Å; E577-L580 WeakPolarHBondContact O-CA 3.21Å; E577-L580 WeakPolarHBondContact O-CB 3.44Å; E577-L580 PolarHBondContact O-N 3.09Å; L580-L582 VanDerWaalsContact C-N 3.3Å; L580-L582 PolarHBondContact O-N 3.07Å; L580-Q583 WeakPolarHBondContact O-CB 3.07Å; L580-Q583 PolarHBondContact O-N 3.41Å; L580-T584 PolarHBondContact O-N 3.02Å; L580-T584 PolarHBondContact O-OG1 3.46Å
581E76.4Confident72.3Confident80 Ų8090.4 Ų90.437%0.37445%0.45SS..Hα-helixtrans-60.1-37.8174.6-68.6-160.8131.700112.5E577 Q583 T584 A585 R598E577-E581 WeakPolarHBondContact O-CG 3.48Å; E577-E581 PolarHBondContact O-N 3Å; E581-Q583 VanDerWaalsContact C-N 3.3Å; E581-T584 PolarHBondContact O-OG1 3.39Å; E581-T584 VanDerWaalsContact O-OG1 3.13Å; E581-A585 WeakPolarHBondContact O-CB 3.5Å; E581-A585 PolarHBondContact O-N 3.3Å; E581-R598 IonicContact OE1-CZ 3.22Å; E581-R598 IonicContact OE1-NH2 3.07Å; E581-R598 PolarHBondContact OE1-NH2 3.13Å; E581-R598 IonicContact OE2-CZ 2.77Å; E581-R598 IonicContact OE2-NE 3.96Å; E581-R598 PolarHBondContact OE2-NE 2.95Å; E581-R598 IonicContact OE2-NH2 2.92Å; E581-R598 PolarHBondContact OE2-NH2 3.02Å
582L71Confident71.1Confident30 Ų3092.9 Ų92.916%0.15747%0.473CS..Hα-helixtrans-72.3-22.1174.7-81.8166.2000113.3L578 V579 L580 K586 R598 L602L578-L582 WeakPolarHBondContact O-CB 3.35Å; L578-L582 WeakPolarHBondContact O-CG 3.19Å; L578-L582 PolarHBondContact O-N 2.93Å; V579-L582 PolarHBondContact O-N 3.48Å; L580-L582 VanDerWaalsContact C-N 3.3Å; L580-L582 PolarHBondContact O-N 3.07Å; L582-K586 WeakPolarHBondContact O-CG 3.11Å; L582-R598 HydrophobicContact CD1-CB 4.04Å; L582-R598 HydrophobicContact CD2-CB 3.82Å; L582-R598 HydrophobicContact CG-CB 3.95Å; L582-L602 HydrophobicContact CD1-CD1 3.68Å
583Q69.6Low70.1Confident118 Ų11899.2 Ų99.255%0.55150%0.5SS*.Hα-helixtrans-81.6-38.2172.9-71.5-179.632.900112.1V579 L580 E581V579-Q583 WeakPolarHBondContact O-CG 3.43Å; V579-Q583 PolarHBondContact O-N 2.89Å; L580-Q583 WeakPolarHBondContact O-CB 3.07Å; L580-Q583 PolarHBondContact O-N 3.41Å; E581-Q583 VanDerWaalsContact C-N 3.3Å
584T68.8Low69Low93 Ų9397.7 Ų97.757%0.57150%0.497SS*.Hα-helixtrans-71.8-43.8175.955.70000111.7L580 E581 K586 K587L580-T584 PolarHBondContact O-N 3.02Å; L580-T584 PolarHBondContact O-OG1 3.46Å; E581-T584 PolarHBondContact O-OG1 3.39Å; E581-T584 VanDerWaalsContact O-OG1 3.13Å; T584-K586 PolarHBondContact O-N 2.75Å; T584-K586 VanDerWaalsContact O-N 3.11Å; T584-K587 PolarHBondContact O-N 2.95Å
585A62Low68.2Low20 Ų2096.9 Ų96.917%0.16550%0.498CS..G310 helixtrans-64.5-14.1179.500000114.6E581 K587 D588E581-A585 WeakPolarHBondContact O-CB 3.5Å; E581-A585 PolarHBondContact O-N 3.3Å; A585-K587 PolarHBondContact O-N 2.94Å; A585-K587 VanDerWaalsContact O-N 3.15Å; A585-D588 PolarHBondContact O-N 2.58Å
586K55.9Low67.7Low175 Ų17599.8 Ų99.876%0.76151%0.512SS*.G310 helixtrans-64.8-9.7172.5-85.5174.5-179.7-1790114.2L582 T584L582-K586 WeakPolarHBondContact O-CG 3.11Å; T584-K586 PolarHBondContact O-N 2.75Å; T584-K586 VanDerWaalsContact O-N 3.11Å
587K57.4Low67.3Low188 Ų188104.3 Ų104.382%0.81753%0.525SS*.G310 helixtrans-90.2-8.4179.1-63.6-177.3179179.80114T584 A585T584-K587 PolarHBondContact O-N 2.95Å; A585-K587 PolarHBondContact O-N 2.94Å; A585-K587 VanDerWaalsContact O-N 3.15Å
588D56.4Low66.9Low108 Ų108100.4 Ų100.458%0.57850%0.504SS*.  trans-110.7124.4-178.3-104.7-48.1000112.6A585 N590A585-D588 PolarHBondContact O-N 2.58Å; D588-N590 PolarHBondContact O-N 2.89Å
589V54.8Low66.8Low137 Ų137108 Ų10883%0.8353%0.531SS*.THydrogen-bonded Turntrans-73.1-25.2-171.9179.70000113
590N57.5Low66.9Low159 Ų159111.9 Ų111.985%0.8554%0.544SS*.THydrogen-bonded Turntrans-98.611.5-167.8-74.5-24000115.9D588D588-N590 PolarHBondContact O-N 2.89Å
591Q57.7Low67Low78 Ų78110.6 Ų110.636%0.36453%0.532SS..  trans-111.420.6-173.1-65.1-162.31200116.5K593 L594 S595Q591-K593 VanDerWaalsContact C-N 3.29Å; Q591-K593 PolarHBondContact O-N 2.99Å; Q591-K593 VanDerWaalsContact O-N 3.09Å; Q591-L594 HydrophobicContact CB-CB 4.46Å; Q591-L594 WeakPolarHBondContact O-CB 3.16Å; Q591-L594 PolarHBondContact O-N 3.38Å; Q591-S595 PolarHBondContact O-N 3.15Å
592A60.5Low67.3Low72 Ų72107.9 Ų107.960%0.59552%0.52SS*.Hα-helixtrans-51.5-37.4-174.600000115.7L594 S595 E596A592-L594 VanDerWaalsContact C-N 3.35Å; A592-L594 PolarHBondContact O-N 2.95Å; A592-S595 PolarHBondContact O-OG 3.35Å; A592-S595 VanDerWaalsContact O-OG 3.1Å; A592-E596 PolarHBondContact O-N 3.38Å
593K62.3Low67.9Low190 Ų190113 Ų11383%0.82654%0.542SS*.Hα-helixtrans-71.4-26.5177.7-66.7-173.8179-179.90113.6Q591 R597Q591-K593 VanDerWaalsContact C-N 3.29Å; Q591-K593 PolarHBondContact O-N 2.99Å; Q591-K593 VanDerWaalsContact O-N 3.09Å; K593-R597 PolarHBondContact O-N 3.07Å
594L63.6Low68.7Low77 Ų77112.1 Ų112.140%0.40354%0.538SS..Hα-helixtrans-80-40.1179.5-168.869.7000111.1Q591 A592 R597 R598Q591-L594 HydrophobicContact CB-CB 4.46Å; Q591-L594 WeakPolarHBondContact O-CB 3.16Å; Q591-L594 PolarHBondContact O-N 3.38Å; A592-L594 VanDerWaalsContact C-N 3.35Å; A592-L594 PolarHBondContact O-N 2.95Å; L594-R597 PolarHBondContact O-N 3.41Å; L594-R598 PolarHBondContact O-N 2.98Å
595S67.4Low69.4Low45 Ų45107.7 Ų107.732%0.31551%0.511SS..Hα-helixtrans-67.8-35.2177.6580000112.6Q591 A592 R599Q591-S595 PolarHBondContact O-N 3.15Å; A592-S595 PolarHBondContact O-OG 3.35Å; A592-S595 VanDerWaalsContact O-OG 3.1Å; S595-R599 WeakPolarHBondContact O-CB 3.41Å; S595-R599 PolarHBondContact O-N 2.91Å
596E72.5Confident70.5Confident105 Ų105111 Ų11149%0.49152%0.523SS..Hα-helixtrans-64.3-42172.1-160.9-161.7138.700112.1A592 R599 K600A592-E596 PolarHBondContact O-N 3.38Å; E596-R599 PolarHBondContact O-N 3.5Å; E596-K600 PolarHBondContact O-N 3.02Å; E596-K600 WeakPolarHBondContact OE1-CE 3.24Å; E596-K600 IonicContact OE1-NZ 2.62Å; E596-K600 PolarHBondContact OE1-NZ 3.05Å
597R74.1Confident71.9Confident198 Ų198104.6 Ų104.675%0.74751%0.508SS*.Hα-helixtrans-63.8-45.5177-170.1177.3-177.7-178.60.3111.8K593 L594 R599 K600 R601K593-R597 PolarHBondContact O-N 3.07Å; L594-R597 PolarHBondContact O-N 3.41Å; R597-R599 VanDerWaalsContact C-N 3.34Å; R597-R599 PolarHBondContact O-N 3.25Å; R597-K600 PolarHBondContact O-N 3.49Å; R597-R601 PolarHBondContact O-N 3.1Å; R597-R601 VanDerWaalsContact O-N 3.15Å
598R76.3Confident73.3Confident53 Ų5399.1 Ų99.120%0.249%0.485CS..Hα-helixtrans-58.6-42.4172.4-81.1-179.9167135.7-2.2111.7L578 E581 L582 L594 K600 R601 L602L578-R598 HydrophobicContact CD2-CG 4.31Å; E581-R598 IonicContact OE1-CZ 3.22Å; E581-R598 IonicContact OE1-NH2 3.07Å; E581-R598 PolarHBondContact OE1-NH2 3.13Å; E581-R598 IonicContact OE2-CZ 2.77Å; E581-R598 IonicContact OE2-NE 3.96Å; E581-R598 PolarHBondContact OE2-NE 2.95Å; E581-R598 IonicContact OE2-NH2 2.92Å; E581-R598 PolarHBondContact OE2-NH2 3.02Å; L582-R598 HydrophobicContact CD1-CB 4.04Å; L582-R598 HydrophobicContact CD2-CB 3.82Å; L582-R598 HydrophobicContact CG-CB 3.95Å; L594-R598 PolarHBondContact O-N 2.98Å; R598-K600 PolarHBondContact O-N 2.96Å; R598-R601 PolarHBondContact O-N 2.63Å; R598-L602 WeakPolarHBondContact O-CB 3.41Å; R598-L602 PolarHBondContact O-N 2.85Å
599R78.4Confident74.7Confident185 Ų18594.5 Ų94.570%0.69846%0.46SS*.Hα-helixtrans-64.3-37.3178.7-169.2175.8-175.2174.91.2113.2S595 E596 R597 L602 Q603S595-R599 WeakPolarHBondContact O-CB 3.41Å; S595-R599 PolarHBondContact O-N 2.91Å; E596-R599 PolarHBondContact O-N 3.5Å; R597-R599 VanDerWaalsContact C-N 3.34Å; R597-R599 PolarHBondContact O-N 3.25Å; R599-L602 PolarHBondContact O-N 2.8Å; R599-Q603 PolarHBondContact O-N 3.07Å; R599-Q603 VanDerWaalsContact O-N 3.13Å
600K82.3Confident76.2Confident126 Ų12690.8 Ų90.855%0.54844%0.444SS..Hα-helixtrans-66.2-42.8173.7-75.6171.6173.2166.90112.1E596 R597 R598 L602 Q603 E604E596-K600 PolarHBondContact O-N 3.02Å; E596-K600 WeakPolarHBondContact OE1-CE 3.24Å; E596-K600 IonicContact OE1-NZ 2.62Å; E596-K600 PolarHBondContact OE1-NZ 3.05Å; R597-K600 PolarHBondContact O-N 3.49Å; R598-K600 PolarHBondContact O-N 2.96Å; K600-L602 VanDerWaalsContact C-N 3.34Å; K600-L602 PolarHBondContact O-N 2.8Å; K600-Q603 PolarHBondContact O-N 3.03Å; K600-E604 PolarHBondContact O-N 3.47Å
601R82.7Confident77.7Confident86 Ų8688.3 Ų88.333%0.32543%0.427SS..Hα-helixtrans-61.8-39.8173.2176.957.4177.3178.73.3112.3E574 L578 R597 R598 Q603 E604 L605E574-R601 IonicContact OE1-CZ 3.7Å; E574-R601 VanDerWaalsContact OE1-CZ 3.28Å; E574-R601 IonicContact OE1-NE 3.28Å; E574-R601 PolarHBondContact OE1-NE 3.38Å; E574-R601 IonicContact OE1-NH2 2.77Å; E574-R601 PolarHBondContact OE1-NH2 3.48Å; E574-R601 IonicContact OE2-NH2 3.85Å; E574-R601 PolarHBondContact OE2-NH2 2.84Å; L578-R601 HydrophobicContact CD1-CG 3.85Å; R597-R601 PolarHBondContact O-N 3.1Å; R597-R601 VanDerWaalsContact O-N 3.15Å; R598-R601 PolarHBondContact O-N 2.63Å; R601-Q603 PolarHBondContact O-N 2.94Å; R601-E604 WeakPolarHBondContact CD-OE2 3.4Å; R601-E604 IonicContact CZ-OE2 3.14Å; R601-E604 IonicContact NE-OE2 2.83Å; R601-E604 IonicContact NH1-OE2 2.65Å; R601-E604 PolarHBondContact NH1-OE2 2.99Å; R601-E604 WeakPolarHBondContact O-CB 3.49Å; R601-E604 PolarHBondContact O-N 3.09Å; R601-L605 HydrophobicContact CG-CD1 4.26Å; R601-L605 WeakPolarHBondContact O-CG 3.5Å; R601-L605 PolarHBondContact O-N 3.11Å
602L83.1Confident79Confident23 Ų2385.9 Ų85.912%0.1242%0.416CS..Hα-helixtrans-62.1-44176.7-161.8166.4000111.4K575 V579 L582 R598 R599 K600 E604 L605 E606K575-L602 HydrophobicContact CG-CD2 4.32Å; K575-L602 HydrophobicContact CG-CG 4.34Å; V579-L602 HydrophobicContact CG2-CD1 3.65Å; V579-L602 HydrophobicContact CG2-CG 4.45Å; L582-L602 HydrophobicContact CD1-CD1 3.68Å; R598-L602 WeakPolarHBondContact O-CB 3.41Å; R598-L602 PolarHBondContact O-N 2.85Å; R599-L602 PolarHBondContact O-N 2.8Å; K600-L602 VanDerWaalsContact C-N 3.34Å; K600-L602 PolarHBondContact O-N 2.8Å; L602-E604 VanDerWaalsContact C-N 3.34Å; L602-E604 PolarHBondContact O-N 3.45Å; L602-L605 PolarHBondContact O-N 2.78Å; L602-E606 HydrophobicContact CD2-CG 4.02Å; L602-E606 WeakPolarHBondContact O-CG 3.09Å; L602-E606 PolarHBondContact O-N 3.43Å
603Q82.9Confident80.2Confident136 Ų13686.8 Ų86.864%0.63641%0.407SS*.Hα-helixtrans-65.7-34.1176.1-171.3176.40.600112.9R599 K600 R601 G607R599-Q603 PolarHBondContact O-N 3.07Å; R599-Q603 VanDerWaalsContact O-N 3.13Å; K600-Q603 PolarHBondContact O-N 3.03Å; R601-Q603 PolarHBondContact O-N 2.94Å; Q603-G607 PolarHBondContact O-N 3.33Å
604E85.7Confident81.4Confident100 Ų10083.7 Ų83.747%0.46739%0.394SS..Hα-helixtrans-64.6-47.5172.5177.8-177.9-122.200111.6K600 R601 L602 E606 G607 Q608K600-E604 PolarHBondContact O-N 3.47Å; R601-E604 WeakPolarHBondContact CD-OE2 3.4Å; R601-E604 IonicContact CZ-OE2 3.14Å; R601-E604 IonicContact NE-OE2 2.83Å; R601-E604 IonicContact NH1-OE2 2.65Å; R601-E604 PolarHBondContact NH1-OE2 2.99Å; R601-E604 WeakPolarHBondContact O-CB 3.49Å; R601-E604 PolarHBondContact O-N 3.09Å; L602-E604 VanDerWaalsContact C-N 3.34Å; L602-E604 PolarHBondContact O-N 3.45Å; E604-E606 VanDerWaalsContact C-N 3.34Å; E604-E606 PolarHBondContact O-N 3.24Å; E604-G607 PolarHBondContact O-N 3.17Å; E604-Q608 WeakPolarHBondContact O-CG 3.37Å; E604-Q608 PolarHBondContact O-N 3.37Å
605L84.5Confident82.5Confident0 Ų084.1 Ų84.10%039%0.392CS..Hα-helixtrans-60.9-39.6174.8-70.8168.7000112.3L571 E574 L578 R601 L602 G607 Q608 I609L571-L605 HydrophobicContact CD2-CD2 3.66Å; E574-L605 HydrophobicContact CB-CD1 4.36Å; E574-L605 HydrophobicContact CG-CD1 3.97Å; L578-L605 HydrophobicContact CD1-CD1 3.54Å; R601-L605 HydrophobicContact CG-CD1 4.26Å; R601-L605 WeakPolarHBondContact O-CG 3.5Å; R601-L605 PolarHBondContact O-N 3.11Å; L602-L605 PolarHBondContact O-N 2.78Å; L605-G607 VanDerWaalsContact C-N 3.31Å; L605-G607 PolarHBondContact O-N 2.89Å; L605-Q608 PolarHBondContact O-N 3.47Å; L605-I609 WeakPolarHBondContact O-CB 3.41Å; L605-I609 WeakPolarHBondContact O-CD1 3.29Å; L605-I609 WeakPolarHBondContact O-CG1 3.45Å; L605-I609 PolarHBondContact O-N 3.46Å
606E83.4Confident83.4Confident89 Ų8983.5 Ų83.542%0.41639%0.385SS..Hα-helixtrans-61.5-38.8174.8-76-177.1140.800112.5K575 L602 E604 A610K575-E606 HydrophobicContact CD-CG 3.96Å; K575-E606 VanDerWaalsContact CE-OE1 3.27Å; K575-E606 WeakPolarHBondContact CE-OE1 3.3Å; K575-E606 IonicContact NZ-OE1 3.52Å; K575-E606 PolarHBondContact NZ-OE1 2.71Å; L602-E606 HydrophobicContact CD2-CG 4.02Å; L602-E606 WeakPolarHBondContact O-CG 3.09Å; L602-E606 PolarHBondContact O-N 3.43Å; E604-E606 VanDerWaalsContact C-N 3.34Å; E604-E606 PolarHBondContact O-N 3.24Å; E606-A610 WeakPolarHBondContact O-CB 3.4Å; E606-A610 PolarHBondContact O-N 2.62Å
607G86Confident83.9Confident42 Ų4282.8 Ų82.843%0.43339%0.385SS..Hα-helixtrans-63.8-47.2172.500000112.6Q603 E604 L605 A610 E611Q603-G607 PolarHBondContact O-N 3.33Å; E604-G607 PolarHBondContact O-N 3.17Å; L605-G607 VanDerWaalsContact C-N 3.31Å; L605-G607 PolarHBondContact O-N 2.89Å; G607-A610 PolarHBondContact O-N 2.7Å; G607-E611 PolarHBondContact O-N 2.77Å
608Q87.6Confident84.4Confident73 Ų7377.7 Ų77.734%0.34137%0.369SS..Hα-helixtrans-62.2-45.7179.1-69.4171.6-1.200111.9E604 L605 A610 E611 L612E604-Q608 WeakPolarHBondContact O-CG 3.37Å; E604-Q608 PolarHBondContact O-N 3.37Å; L605-Q608 PolarHBondContact O-N 3.47Å; Q608-A610 VanDerWaalsContact C-N 3.31Å; Q608-A610 PolarHBondContact O-N 2.86Å; Q608-E611 PolarHBondContact O-N 2.91Å; Q608-L612 WeakPolarHBondContact O-CG 3.49Å; Q608-L612 PolarHBondContact O-N 2.88Å
609I86.3Confident84.7Confident10 Ų1076.9 Ų76.95%0.05137%0.368CS..Hα-helixtrans-61.4-38.8175.7-69164.6000111.3L571 K575 L605 K613L571-I609 HydrophobicContact CB-CD1 4.05Å; L571-I609 HydrophobicContact CB-CG1 3.73Å; K575-I609 HydrophobicContact CB-CD1 4.4Å; K575-I609 HydrophobicContact CD-CD1 4.24Å; L605-I609 WeakPolarHBondContact O-CB 3.41Å; L605-I609 WeakPolarHBondContact O-CD1 3.29Å; L605-I609 WeakPolarHBondContact O-CG1 3.45Å; L605-I609 PolarHBondContact O-N 3.46Å; I609-K613 HydrophobicContact CG2-CD 3.82Å; I609-K613 VanDerWaalsContact CG2-CE 3.49Å; I609-K613 VanDerWaalsContact CG2-NZ 3.27Å; I609-K613 WeakPolarHBondContact O-CB 3.29Å; I609-K613 VanDerWaalsContact O-CG 3.26Å; I609-K613 WeakPolarHBondContact O-CG 3.38Å; I609-K613 PolarHBondContact O-N 3.36Å
610A85.6Confident84.9Confident60 Ų6070 Ų7050%0.49635%0.348SS..Hα-helixtrans-67.4-40.7176.900000112.5E606 G607 Q608 K614E606-A610 WeakPolarHBondContact O-CB 3.4Å; E606-A610 PolarHBondContact O-N 2.62Å; G607-A610 PolarHBondContact O-N 2.7Å; Q608-A610 VanDerWaalsContact C-N 3.31Å; Q608-A610 PolarHBondContact O-N 2.86Å; A610-K614 PolarHBondContact O-N 2.95Å
611E88.3Confident85Confident107 Ų10769.8 Ų69.850%0.535%0.347SS..Hα-helixtrans-69.2-41.4177.7-163.9-175.6135.100112.2G607 Q608 K614 K615G607-E611 PolarHBondContact O-N 2.77Å; Q608-E611 PolarHBondContact O-N 2.91Å; E611-K614 WeakPolarHBondContact O-CB 3.27Å; E611-K614 PolarHBondContact O-N 2.83Å; E611-K615 WeakPolarHBondContact O-CG 3.35Å; E611-K615 PolarHBondContact O-N 3.34Å; E611-K615 WeakPolarHBondContact OE1-CE 3.3Å; E611-K615 IonicContact OE1-NZ 2.98Å; E611-K615 PolarHBondContact OE1-NZ 2.63Å
612L86.6Confident84.8Confident26 Ų2670.1 Ų70.114%0.13636%0.355CS..Hα-helixtrans-63.3-44.3174.8-69167.6000111.6L564 E567 V568 L571 Q608 K614 K615 L616L564-L612 HydrophobicContact CD2-CD2 3.61Å; E567-L612 HydrophobicContact CG-CD1 4.02Å; V568-L612 HydrophobicContact CG2-CB 3.52Å; V568-L612 HydrophobicContact CG2-CD1 4.16Å; V568-L612 HydrophobicContact CG2-CG 4.47Å; L571-L612 HydrophobicContact CD1-CD1 3.4Å; Q608-L612 WeakPolarHBondContact O-CG 3.49Å; Q608-L612 PolarHBondContact O-N 2.88Å; L612-K614 PolarHBondContact O-N 3.47Å; L612-K615 PolarHBondContact O-N 2.79Å; L612-L616 WeakPolarHBondContact O-CB 3.33Å; L612-L616 PolarHBondContact O-N 2.65Å
613K84.3Confident84.7Confident91 Ų9170.4 Ų70.440%0.39636%0.356SS..Hα-helixtrans-62.8-29174.4-74.2172.6-177.6168.10112.7V568 I609 N617V568-K613 HydrophobicContact CG1-CD 4.46Å; V568-K613 HydrophobicContact CG1-CG 4.25Å; V568-K613 HydrophobicContact CG2-CG 4.25Å; I609-K613 HydrophobicContact CG2-CD 3.82Å; I609-K613 VanDerWaalsContact CG2-CE 3.49Å; I609-K613 VanDerWaalsContact CG2-NZ 3.27Å; I609-K613 WeakPolarHBondContact O-CB 3.29Å; I609-K613 VanDerWaalsContact O-CG 3.26Å; I609-K613 WeakPolarHBondContact O-CG 3.38Å; I609-K613 PolarHBondContact O-N 3.36Å; K613-N617 WeakPolarHBondContact O-CB 3.42Å; K613-N617 PolarHBondContact O-N 3.19Å
614K88.1Confident84.7Confident126 Ų12670.2 Ų70.255%0.54835%0.353SS..Hα-helixtrans-67.8-50.3170.7-176.8-174.8167.5-172.10111.6A610 E611 L612 L616 N617 E618A610-K614 PolarHBondContact O-N 2.95Å; E611-K614 WeakPolarHBondContact O-CB 3.27Å; E611-K614 PolarHBondContact O-N 2.83Å; L612-K614 PolarHBondContact O-N 3.47Å; K614-L616 VanDerWaalsContact C-N 3.31Å; K614-L616 PolarHBondContact O-N 3.31Å; K614-N617 WeakPolarHBondContact O-CB 3.36Å; K614-N617 PolarHBondContact O-N 2.75Å; K614-N617 VanDerWaalsContact O-N 3.17Å; K614-E618 WeakPolarHBondContact CE-OE1 3.47Å; K614-E618 IonicContact NZ-OE1 2.75Å; K614-E618 PolarHBondContact O-N 3.25Å
615K85.9Confident84.4Confident85 Ų8570.8 Ų70.837%0.3736%0.359SS..Hα-helixtrans-59.2-41.1178.3-69.4169.8-175.9167.50112E611 L612 N617 E618 Q619E611-K615 WeakPolarHBondContact O-CG 3.35Å; E611-K615 PolarHBondContact O-N 3.34Å; E611-K615 WeakPolarHBondContact OE1-CE 3.3Å; E611-K615 IonicContact OE1-NZ 2.98Å; E611-K615 PolarHBondContact OE1-NZ 2.63Å; L612-K615 PolarHBondContact O-N 2.79Å; K615-N617 PolarHBondContact O-N 2.99Å; K615-E618 PolarHBondContact O-N 3.3Å; K615-Q619 PolarHBondContact O-N 3.06Å
616L86.9Confident84.2Confident33 Ų3371.9 Ų71.917%0.17336%0.364CS..Hα-helixtrans-58.1-46.8174.3-172.471.6000112.2I561 L564 E565 L612 K614 E618 Q619 S620I561-L616 HydrophobicContact CB-CD1 4.29Å; I561-L616 HydrophobicContact CG1-CD1 4.15Å; I561-L616 HydrophobicContact CG2-CD1 3.98Å; L564-L616 HydrophobicContact CB-CD1 4.25Å; E565-L616 HydrophobicContact CG-CD1 3.72Å; E565-L616 HydrophobicContact CG-CD2 3.93Å; E565-L616 HydrophobicContact CG-CG 4.49Å; L612-L616 WeakPolarHBondContact O-CB 3.33Å; L612-L616 PolarHBondContact O-N 2.65Å; K614-L616 VanDerWaalsContact C-N 3.31Å; K614-L616 PolarHBondContact O-N 3.31Å; L616-E618 VanDerWaalsContact C-N 3.32Å; L616-E618 PolarHBondContact O-N 2.92Å; L616-Q619 PolarHBondContact O-N 3.42Å; L616-S620 WeakPolarHBondContact O-CB 3.45Å; L616-S620 PolarHBondContact O-N 2.83Å
617N83.8Confident84.1Confident89 Ų8971.3 Ų71.348%0.47636%0.361SS..Hα-helixtrans-66.3-33.3178.2-169.4-0.7000112.2K613 K614 K615 K621K613-N617 WeakPolarHBondContact O-CB 3.42Å; K613-N617 PolarHBondContact O-N 3.19Å; K614-N617 WeakPolarHBondContact O-CB 3.36Å; K614-N617 PolarHBondContact O-N 2.75Å; K614-N617 VanDerWaalsContact O-N 3.17Å; K615-N617 PolarHBondContact O-N 2.99Å; N617-K621 WeakPolarHBondContact O-CD 3.31Å; N617-K621 VanDerWaalsContact O-CG 3.3Å; N617-K621 WeakPolarHBondContact O-CG 3.12Å; N617-K621 PolarHBondContact O-N 2.92Å; N617-K621 VanDerWaalsContact OD1-CE 3.28Å; N617-K621 WeakPolarHBondContact OD1-CE 3.36Å
618E84.1Confident83.9Confident91 Ų9171.7 Ų71.743%0.42536%0.357SS..Hα-helixtrans-68.2-43.7174.9-73.2167.817800112K614 K615 L616 K621K614-E618 WeakPolarHBondContact CE-OE1 3.47Å; K614-E618 IonicContact NZ-OE1 2.75Å; K614-E618 PolarHBondContact O-N 3.25Å; K615-E618 PolarHBondContact O-N 3.3Å; L616-E618 VanDerWaalsContact C-N 3.32Å; L616-E618 PolarHBondContact O-N 2.92Å; E618-K621 PolarHBondContact O-N 3.38Å
619Q82.2Confident83.5Confident37 Ų3770.9 Ų70.917%0.17336%0.357CS..Hα-helixtrans-68.5-38174.4-64.4-171.3900112.7Y557 I561 K615 L616 K621 L622 L623Y557-Q619 HydrophobicContact CD1-CG 4.13Å; Y557-Q619 HydrophobicContact CE1-CG 4.46Å; I561-Q619 HydrophobicContact CD1-CB 3.96Å; I561-Q619 HydrophobicContact CG1-CB 3.96Å; K615-Q619 PolarHBondContact O-N 3.06Å; L616-Q619 PolarHBondContact O-N 3.42Å; Q619-K621 VanDerWaalsContact C-N 3.27Å; Q619-K621 PolarHBondContact O-N 3.06Å; Q619-L622 PolarHBondContact O-N 3.25Å; Q619-L622 VanDerWaalsContact O-N 3.15Å; Q619-L623 PolarHBondContact O-N 2.91Å
620S82.8Confident83.3Confident39 Ų3975.3 Ų75.327%0.27338%0.378SS..Hα-helixtrans-59.4-34.3176-1740000113.3L616 K624L616-S620 WeakPolarHBondContact O-CB 3.45Å; L616-S620 PolarHBondContact O-N 2.83Å; S620-K624 WeakPolarHBondContact O-CG 3.37Å; S620-K624 PolarHBondContact O-N 2.92Å
621K84Confident83.2Confident122 Ų12279.5 Ų79.553%0.5338%0.381SS..Hα-helixtrans-67.1-36.5176.3-72.8164.1-173.5170.90112.8N617 E618 Q619 K624 L625N617-K621 WeakPolarHBondContact O-CD 3.31Å; N617-K621 VanDerWaalsContact O-CG 3.3Å; N617-K621 WeakPolarHBondContact O-CG 3.12Å; N617-K621 PolarHBondContact O-N 2.92Å; N617-K621 VanDerWaalsContact OD1-CE 3.28Å; N617-K621 WeakPolarHBondContact OD1-CE 3.36Å; E618-K621 PolarHBondContact O-N 3.38Å; Q619-K621 VanDerWaalsContact C-N 3.27Å; Q619-K621 PolarHBondContact O-N 3.06Å; K621-K624 PolarHBondContact O-N 2.7Å; K621-L625 PolarHBondContact O-N 2.81Å; K621-L625 VanDerWaalsContact O-N 3.09Å
622L78.9Confident83Confident93 Ų9377.6 Ų77.649%0.48738%0.377SS..Hα-helixtrans-67.9-40179.1-67170.3000111.6Q619 L625 K626Q619-L622 PolarHBondContact O-N 3.25Å; Q619-L622 VanDerWaalsContact O-N 3.15Å; L622-L625 PolarHBondContact O-N 2.88Å; L622-K626 PolarHBondContact O-N 3.05Å; L622-K626 VanDerWaalsContact O-N 3.11Å
623L80.3Confident83Confident30 Ų3077.1 Ų77.116%0.15737%0.374CS..Hα-helixtrans-59.3-47172.4-93.1160.8000112.2Q554 Q558 I561 Q619 L625 K626 E627Q554-L623 HydrophobicContact CG-CD2 3.91Å; Q558-L623 HydrophobicContact CG-CD1 4.06Å; Q558-L623 HydrophobicContact CG-CD2 4.22Å; I561-L623 HydrophobicContact CD1-CD1 3.53Å; Q619-L623 PolarHBondContact O-N 2.91Å; L623-L625 VanDerWaalsContact C-N 3.28Å; L623-L625 PolarHBondContact O-N 3.16Å; L623-K626 WeakPolarHBondContact O-CB 3.45Å; L623-K626 PolarHBondContact O-N 3.43Å; L623-E627 PolarHBondContact O-N 2.92Å
624K82.9Confident83.1Confident131 Ų13176.1 Ų76.157%0.5738%0.379SS*.Hα-helixtrans-62.7-32.9178-71.7172-179.7171.80113.1S620 K621 S628S620-K624 WeakPolarHBondContact O-CG 3.37Å; S620-K624 PolarHBondContact O-N 2.92Å; K621-K624 PolarHBondContact O-N 2.7Å; K624-S628 PolarHBondContact O-N 3.39Å
625L80.5Confident83.1Confident112 Ų11276.9 Ų76.959%0.58638%0.382SS*.Hα-helixtrans-66.2-42.3172.7-173.663.3000110.9K621 L622 L623 S628 T629K621-L625 PolarHBondContact O-N 2.81Å; K621-L625 VanDerWaalsContact O-N 3.09Å; L622-L625 PolarHBondContact O-N 2.88Å; L623-L625 VanDerWaalsContact C-N 3.28Å; L623-L625 PolarHBondContact O-N 3.16Å; L625-S628 WeakPolarHBondContact O-CB 3.46Å; L625-S628 PolarHBondContact O-N 3.04Å; L625-S628 PolarHBondContact O-OG 2.98Å; L625-T629 PolarHBondContact O-N 3.39Å
626K79.9Confident83.3Confident24 Ų2474.2 Ų74.210%0.10437%0.372CS..Hα-helixtrans-62.5-46.2175.9-169.7-178.9-176.7179.60112.7D547 L550 Q554 L622 L623 S628 T629 E630D547-K626 WeakPolarHBondContact OD1-CE 3.41Å; D547-K626 IonicContact OD1-NZ 3.37Å; D547-K626 PolarHBondContact OD1-NZ 3.12Å; L550-K626 PolarHBondContact O-NZ 2.93Å; Q554-K626 HydrophobicContact CB-CD 4.41Å; Q554-K626 HydrophobicContact CG-CD 4.46Å; L622-K626 PolarHBondContact O-N 3.05Å; L622-K626 VanDerWaalsContact O-N 3.11Å; L623-K626 WeakPolarHBondContact O-CB 3.45Å; L623-K626 PolarHBondContact O-N 3.43Å; K626-S628 PolarHBondContact O-N 3Å; K626-T629 WeakPolarHBondContact CA-OG1 3.22Å; K626-T629 PolarHBondContact O-N 2.78Å; K626-T629 PolarHBondContact O-OG1 2.86Å; K626-E630 PolarHBondContact O-N 3.43Å
627E81.1Confident83.2Confident76 Ų7675.5 Ų75.536%0.35538%0.379SS..Hα-helixtrans-54.9-36175.2-71.8177.8-153.900112.1L623 R631L623-E627 PolarHBondContact O-N 2.92Å; E627-R631 WeakPolarHBondContact O-CD 3.47Å; E627-R631 WeakPolarHBondContact O-CG 3.29Å; E627-R631 PolarHBondContact O-N 3.15Å; E627-R631 VanDerWaalsContact O-N 3.13Å; E627-R631 IonicContact OE2-CZ 3.92Å; E627-R631 IonicContact OE2-NH1 2.63Å; E627-R631 PolarHBondContact OE2-NH1 3.2Å; E627-R631 IonicContact OE2-NH2 2.64Å; E627-R631 PolarHBondContact OE2-NH2 2.97Å
628S81.5Confident83.6Confident51 Ų5176.1 Ų76.136%0.35738%0.379SS..Hα-helixtrans-66.7-39.8177.782.40000112K624 L625 K626 T632K624-S628 PolarHBondContact O-N 3.39Å; L625-S628 WeakPolarHBondContact O-CB 3.46Å; L625-S628 PolarHBondContact O-N 3.04Å; L625-S628 PolarHBondContact O-OG 2.98Å; K626-S628 PolarHBondContact O-N 3Å; S628-T632 PolarHBondContact O-N 3.03Å
629T79.6Confident83.9Confident56 Ų5675.3 Ų75.334%0.34438%0.375SS..Hα-helixtrans-70.8-40.8176.544.70000112.4L625 K626 R631 T632 V633L625-T629 PolarHBondContact O-N 3.39Å; K626-T629 WeakPolarHBondContact CA-OG1 3.22Å; K626-T629 PolarHBondContact O-N 2.78Å; K626-T629 PolarHBondContact O-OG1 2.86Å; T629-R631 VanDerWaalsContact C-N 3.31Å; T629-R631 PolarHBondContact O-N 3.32Å; T629-T632 PolarHBondContact O-N 3.35Å; T629-T632 PolarHBondContact O-OG1 3.16Å; T629-V633 PolarHBondContact O-N 3.01Å
630E81.4Confident84.3Confident102 Ų10273.9 Ų73.948%0.47737%0.369SS..Hα-helixtrans-60.5-40.6177.2-170.8171.6-163.800111.3K626 T632 V633 S634K626-E630 PolarHBondContact O-N 3.43Å; E630-T632 VanDerWaalsContact C-N 3.34Å; E630-T632 PolarHBondContact O-N 3.46Å; E630-V633 PolarHBondContact O-N 2.91Å; E630-S634 PolarHBondContact O-N 3.46Å
631R84.3Confident84.6Confident149 Ų14979.2 Ų79.256%0.56238%0.383SS*.Hα-helixtrans-60.7-36.2172.2-71.4167.2-171.8137.112.8113.1E627 T629 K635E627-R631 WeakPolarHBondContact O-CD 3.47Å; E627-R631 WeakPolarHBondContact O-CG 3.29Å; E627-R631 PolarHBondContact O-N 3.15Å; E627-R631 VanDerWaalsContact O-N 3.13Å; E627-R631 IonicContact OE2-CZ 3.92Å; E627-R631 IonicContact OE2-NH1 2.63Å; E627-R631 PolarHBondContact OE2-NH1 3.2Å; E627-R631 IonicContact OE2-NH2 2.64Å; E627-R631 PolarHBondContact OE2-NH2 2.97Å; T629-R631 VanDerWaalsContact C-N 3.31Å; T629-R631 PolarHBondContact O-N 3.32Å; R631-K635 WeakPolarHBondContact O-CG 3.19Å; R631-K635 PolarHBondContact O-N 3.31Å
632T84.8Confident84.9Confident67 Ų6778.5 Ų78.541%0.41138%0.383SS..Hα-helixtrans-72.3-38175.662.50000112.8S628 T629 E630 S634 K635 L636S628-T632 PolarHBondContact O-N 3.03Å; T629-T632 PolarHBondContact O-N 3.35Å; T629-T632 PolarHBondContact O-OG1 3.16Å; E630-T632 VanDerWaalsContact C-N 3.34Å; E630-T632 PolarHBondContact O-N 3.46Å; T632-S634 VanDerWaalsContact C-N 3.33Å; T632-S634 PolarHBondContact O-N 3.47Å; T632-K635 PolarHBondContact O-N 3.24Å; T632-L636 WeakPolarHBondContact O-CG 3.44Å; T632-L636 PolarHBondContact O-N 3.43Å
633V85.9Confident85.3Confident15 Ų1575 Ų759%0.09136%0.364CS..Hα-helixtrans-63.9-39.5174.6174.60000111.1M543 T629 E630 L636 N637M543-V633 HydrophobicContact CB-CG2 3.65Å; M543-V633 HydrophobicContact CE-CG2 3.9Å; M543-V633 HydrophobicContact SD-CG2 4.3Å; T629-V633 PolarHBondContact O-N 3.01Å; E630-V633 PolarHBondContact O-N 2.91Å; V633-L636 PolarHBondContact O-N 2.78Å; V633-N637 WeakPolarHBondContact CG1-ND2 3.5Å; V633-N637 WeakPolarHBondContact O-CB 3.28Å; V633-N637 PolarHBondContact O-N 3.01Å; V633-N637 PolarHBondContact O-ND2 3.31Å
634S86Confident85.8Confident70 Ų7077.7 Ų77.749%0.4938%0.375SS..Hα-helixtrans-61.3-46.3175.2-170.80000112.4E630 T632 N637 Q638E630-S634 PolarHBondContact O-N 3.46Å; T632-S634 VanDerWaalsContact C-N 3.33Å; T632-S634 PolarHBondContact O-N 3.47Å; S634-N637 PolarHBondContact O-N 3.01Å; S634-Q638 PolarHBondContact O-N 3.09Å
635K89.1Confident86.1Confident143 Ų14377.1 Ų77.162%0.62238%0.378SS*.Hα-helixtrans-59.3-49175.9-73.1-177177.5-169.90112.6R631 T632 N637 Q638 E639R631-K635 WeakPolarHBondContact O-CG 3.19Å; R631-K635 PolarHBondContact O-N 3.31Å; T632-K635 PolarHBondContact O-N 3.24Å; K635-N637 VanDerWaalsContact C-N 3.28Å; K635-N637 PolarHBondContact O-N 2.55Å; K635-Q638 WeakPolarHBondContact O-CA 2.84Å; K635-Q638 WeakPolarHBondContact O-CB 3.29Å; K635-Q638 PolarHBondContact O-N 2.81Å; K635-E639 PolarHBondContact O-N 2.95Å
636L88.4Confident86.6Confident28 Ų2876.9 Ų76.915%0.14737%0.374CS..Hα-helixtrans-57.7-40.4176.8-72.4169000112L539 M543 T632 V633 Q638 E639 I640L539-L636 HydrophobicContact CD2-CD1 4.14Å; L539-L636 HydrophobicContact CD2-CD2 4.46Å; L539-L636 HydrophobicContact CG-CD1 4.42Å; M543-L636 HydrophobicContact SD-CD1 3.7Å; T632-L636 WeakPolarHBondContact O-CG 3.44Å; T632-L636 PolarHBondContact O-N 3.43Å; V633-L636 PolarHBondContact O-N 2.78Å; L636-Q638 VanDerWaalsContact C-N 3.28Å; L636-Q638 PolarHBondContact O-N 2.77Å; L636-E639 PolarHBondContact O-N 2.9Å; L636-I640 WeakPolarHBondContact O-CD1 3.48Å; L636-I640 VanDerWaalsContact O-CG1 3.23Å; L636-I640 WeakPolarHBondContact O-CG1 3.37Å; L636-I640 PolarHBondContact O-N 3.03Å
637N86.9Confident87.1Confident61 Ų6180.5 Ų80.533%0.32639%0.387SS..Hα-helixtrans-71.1-17.5175.4-76.2-53.5000114V633 S634 K635 R641V633-N637 WeakPolarHBondContact CG1-ND2 3.5Å; V633-N637 WeakPolarHBondContact O-CB 3.28Å; V633-N637 PolarHBondContact O-N 3.01Å; V633-N637 PolarHBondContact O-ND2 3.31Å; S634-N637 PolarHBondContact O-N 3.01Å; K635-N637 VanDerWaalsContact C-N 3.28Å; K635-N637 PolarHBondContact O-N 2.55Å; N637-R641 WeakPolarHBondContact O-CG 3.4Å; N637-R641 PolarHBondContact O-NE 3.39Å
638Q90.8Very high87.5Confident102 Ų10281.7 Ų81.748%0.47740%0.399SS..Hα-helixtrans-82.6-43.4170.8-160.1172.4-5.600111S634 K635 L636 I640 R641 M642S634-Q638 PolarHBondContact O-N 3.09Å; K635-Q638 WeakPolarHBondContact O-CA 2.84Å; K635-Q638 WeakPolarHBondContact O-CB 3.29Å; K635-Q638 PolarHBondContact O-N 2.81Å; L636-Q638 VanDerWaalsContact C-N 3.28Å; L636-Q638 PolarHBondContact O-N 2.77Å; Q638-I640 VanDerWaalsContact C-N 3.34Å; Q638-I640 PolarHBondContact O-N 3.06Å; Q638-R641 WeakPolarHBondContact O-CB 3.46Å; Q638-R641 PolarHBondContact O-N 2.95Å; Q638-R641 VanDerWaalsContact O-N 3.07Å; Q638-M642 HydrophobicContact CG-CE 4.15Å; Q638-M642 PolarHBondContact O-N 3.45Å; Q638-M642 VanDerWaalsContact O-N 3.09Å
639E90.9Very high87.9Confident73 Ų7385.7 Ų85.734%0.34141%0.412SS..Hα-helixtrans-58.7-42.7172.9-67.3172.3-147.900112.4K536 K635 L636 R641 M642 M643K536-E639 IonicContact NZ-OE2 3.36Å; K536-E639 PolarHBondContact NZ-OE2 3.39Å; K635-E639 PolarHBondContact O-N 2.95Å; L636-E639 PolarHBondContact O-N 2.9Å; E639-R641 PolarHBondContact O-N 3.48Å; E639-M642 PolarHBondContact O-N 3.13Å; E639-M643 WeakPolarHBondContact O-CG 3.41Å; E639-M643 PolarHBondContact O-N 2.95Å
640I90.3Very high88.3Confident8 Ų884.1 Ų84.14%0.04140%0.401CS..Hα-helixtrans-60.6-34.2175.7-69.7162.4000111.3K536 E537 A540 L636 Q638 M643 K644K536-I640 HydrophobicContact CB-CD1 4.09Å; K536-I640 HydrophobicContact CB-CG1 3.79Å; E537-I640 HydrophobicContact CG-CD1 4.39Å; E537-I640 HydrophobicContact CG-CG2 4.02Å; A540-I640 HydrophobicContact CB-CD1 3.75Å; L636-I640 WeakPolarHBondContact O-CD1 3.48Å; L636-I640 VanDerWaalsContact O-CG1 3.23Å; L636-I640 WeakPolarHBondContact O-CG1 3.37Å; L636-I640 PolarHBondContact O-N 3.03Å; Q638-I640 VanDerWaalsContact C-N 3.34Å; Q638-I640 PolarHBondContact O-N 3.06Å; I640-M643 HydrophobicContact CG1-CE 4.41Å; I640-K644 HydrophobicContact CG2-CD 4.22Å; I640-K644 WeakPolarHBondContact O-CB 3.29Å; I640-K644 VanDerWaalsContact O-CG 3.26Å; I640-K644 WeakPolarHBondContact O-CG 3.5Å; I640-K644 PolarHBondContact O-N 3.13Å; I640-K644 VanDerWaalsContact O-N 3.12Å
641R88.9Confident88.2Confident150 Ų15083.8 Ų83.857%0.56640%0.401SS*.Hα-helixtrans-69.7-42.5175-77.4178.6-77.5168.8-1111.8N637 Q638 E639 K644 N645N637-R641 WeakPolarHBondContact O-CG 3.4Å; N637-R641 PolarHBondContact O-NE 3.39Å; Q638-R641 WeakPolarHBondContact O-CB 3.46Å; Q638-R641 PolarHBondContact O-N 2.95Å; Q638-R641 VanDerWaalsContact O-N 3.07Å; E639-R641 PolarHBondContact O-N 3.48Å; R641-K644 PolarHBondContact O-N 3.46Å; R641-N645 PolarHBondContact O-N 3.42Å; R641-N645 VanDerWaalsContact O-N 3.11Å; R641-N645 PolarHBondContact O-OD1 2.88Å
642M90.6Very high88.4Confident107 Ų10784.9 Ų84.953%0.52741%0.405SS..Hα-helixtrans-59.3-49.3175.8-61.4179.9-168.300111.8Q638 E639 K644 N645 Q646Q638-M642 HydrophobicContact CG-CE 4.15Å; Q638-M642 PolarHBondContact O-N 3.45Å; Q638-M642 VanDerWaalsContact O-N 3.09Å; E639-M642 PolarHBondContact O-N 3.13Å; M642-K644 VanDerWaalsContact C-N 3.29Å; M642-K644 PolarHBondContact O-N 3.49Å; M642-N645 PolarHBondContact O-N 2.78Å; M642-N645 VanDerWaalsContact O-N 3.13Å; M642-Q646 PolarHBondContact O-N 2.94Å
643M87.7Confident88.5Confident21 Ų2185.2 Ų85.210%0.10340%0.402CS..Hα-helixtrans-65-30.4178.9-63.1-173.7-5000112.8L529 A532 L533 K536 E639 I640 R647L529-M643 HydrophobicContact CD1-CB 4.05Å; L529-M643 HydrophobicContact CD1-CG 4.23Å; A532-M643 HydrophobicContact CB-SD 4.47Å; L533-M643 HydrophobicContact CB-CE 4.22Å; L533-M643 HydrophobicContact CD1-CB 4.15Å; L533-M643 HydrophobicContact CG-CE 4.38Å; K536-M643 HydrophobicContact CB-CE 4.11Å; K536-M643 HydrophobicContact CD-CE 3.67Å; K536-M643 HydrophobicContact CD-SD 4.35Å; K536-M643 HydrophobicContact CG-CE 4.09Å; E639-M643 WeakPolarHBondContact O-CG 3.41Å; E639-M643 PolarHBondContact O-N 2.95Å; I640-M643 HydrophobicContact CG1-CE 4.41Å; M643-R647 WeakPolarHBondContact O-CB 3.3Å; M643-R647 PolarHBondContact O-N 3.11Å
644K89.8Confident88.2Confident86 Ų8686.4 Ų86.437%0.37441%0.407SS..Hα-helixtrans-65.3-41.6172.3-80176.4-178.6-177.40111.9L533 E537 I640 R641 M642 R647 V648L533-K644 HydrophobicContact CD1-CG 3.78Å; L533-K644 HydrophobicContact CD2-CG 4.44Å; L533-K644 HydrophobicContact CG-CG 4.43Å; E537-K644 WeakPolarHBondContact OE1-CE 3.5Å; E537-K644 IonicContact OE1-NZ 3.63Å; E537-K644 PolarHBondContact OE1-NZ 3.25Å; I640-K644 HydrophobicContact CG2-CD 4.22Å; I640-K644 WeakPolarHBondContact O-CB 3.29Å; I640-K644 VanDerWaalsContact O-CG 3.26Å; I640-K644 WeakPolarHBondContact O-CG 3.5Å; I640-K644 PolarHBondContact O-N 3.13Å; I640-K644 VanDerWaalsContact O-N 3.12Å; R641-K644 PolarHBondContact O-N 3.46Å; M642-K644 VanDerWaalsContact C-N 3.29Å; M642-K644 PolarHBondContact O-N 3.49Å; K644-R647 PolarHBondContact O-N 2.77Å; K644-V648 WeakPolarHBondContact O-CG2 3.46Å; K644-V648 PolarHBondContact O-N 3.45Å
645N90.3Very high88Confident118 Ų11887.9 Ų87.963%0.63140%0.404SS*.Hα-helixtrans-66.5-46.5177.6-67.23.4000111.2R641 M642 R647 V648 Q649R641-N645 PolarHBondContact O-N 3.42Å; R641-N645 VanDerWaalsContact O-N 3.11Å; R641-N645 PolarHBondContact O-OD1 2.88Å; M642-N645 PolarHBondContact O-N 2.78Å; M642-N645 VanDerWaalsContact O-N 3.13Å; N645-R647 VanDerWaalsContact C-N 3.28Å; N645-R647 PolarHBondContact O-N 2.74Å; N645-V648 PolarHBondContact O-N 3.31Å; N645-V648 VanDerWaalsContact O-N 3.09Å; N645-Q649 PolarHBondContact O-N 2.81Å
646Q89.5Confident87.9Confident107 Ų10784.6 Ų84.650%0.539%0.391SS..Hα-helixtrans-55.8-42.1174.5-71.6173.7-41.600112L529 M642 V648 Q649 L650L529-Q646 HydrophobicContact CD2-CB 4.09Å; M642-Q646 PolarHBondContact O-N 2.94Å; Q646-V648 VanDerWaalsContact C-N 3.35Å; Q646-V648 PolarHBondContact O-N 3.4Å; Q646-Q649 PolarHBondContact O-N 3.33Å; Q646-L650 WeakPolarHBondContact O-CB 3.15Å; Q646-L650 PolarHBondContact O-N 2.88Å
647R90.8Very high87.5Confident101 Ų10184.8 Ų84.838%0.38139%0.392SS..Hα-helixtrans-60.8-41.7176.3178.7-175.8158-176-12.9112.3L526 L529 N530 M643 K644 N645 M651L526-R647 HydrophobicContact CD1-CG 3.88Å; L529-R647 HydrophobicContact CD2-CB 3.72Å; N530-R647 WeakPolarHBondContact OD1-CD 3.48Å; N530-R647 VanDerWaalsContact OD1-CZ 3.23Å; N530-R647 PolarHBondContact OD1-NE 2.99Å; N530-R647 PolarHBondContact OD1-NH1 3.41Å; M643-R647 WeakPolarHBondContact O-CB 3.3Å; M643-R647 PolarHBondContact O-N 3.11Å; K644-R647 PolarHBondContact O-N 2.77Å; N645-R647 VanDerWaalsContact C-N 3.28Å; N645-R647 PolarHBondContact O-N 2.74Å; R647-M651 HydrophobicContact CG-CG 4.45Å; R647-M651 WeakPolarHBondContact O-CB 3.35Å; R647-M651 WeakPolarHBondContact O-CG 3.44Å; R647-M651 PolarHBondContact O-N 3.42Å
648V89.7Confident87.1Confident100 Ų10083.5 Ų83.561%0.60639%0.391SS*.Hα-helixtrans-68.8-40.1179.9172.40000110.9K644 N645 Q646 M651 R652K644-V648 WeakPolarHBondContact O-CG2 3.46Å; K644-V648 PolarHBondContact O-N 3.45Å; N645-V648 PolarHBondContact O-N 3.31Å; N645-V648 VanDerWaalsContact O-N 3.09Å; Q646-V648 VanDerWaalsContact C-N 3.35Å; Q646-V648 PolarHBondContact O-N 3.4Å; V648-M651 PolarHBondContact O-N 3.2Å; V648-R652 WeakPolarHBondContact O-CB 3.28Å; V648-R652 PolarHBondContact O-N 2.99Å
649Q90.3Very high86.6Confident136 Ų13680 Ų8064%0.63637%0.374SS*.Hα-helixtrans-61.6-48.8175.3-173.9174.3-000111.7N645 Q646 M651 R652 Q653N645-Q649 PolarHBondContact O-N 2.81Å; Q646-Q649 PolarHBondContact O-N 3.33Å; Q649-M651 PolarHBondContact O-N 2.92Å; Q649-R652 PolarHBondContact O-N 3.34Å; Q649-Q653 PolarHBondContact O-N 3.2Å
650L88.3Confident86.3Confident23 Ų2382.2 Ų82.212%0.1238%0.382CS..Hα-helixtrans-62.4-42.8178.3-162.274.9000111.9M522 E525 L526 Q646 R652 Q653 M654M522-L650 HydrophobicContact CE-CD1 3.5Å; M522-L650 VanDerWaalsContact CE-CD1 3.5Å; M522-L650 HydrophobicContact CE-CG 4.05Å; M522-L650 HydrophobicContact SD-CD1 3.71Å; E525-L650 HydrophobicContact CB-CD2 3.95Å; L526-L650 HydrophobicContact CB-CD2 3.81Å; L526-L650 HydrophobicContact CD1-CD2 4.29Å; Q646-L650 WeakPolarHBondContact O-CB 3.15Å; Q646-L650 PolarHBondContact O-N 2.88Å; L650-R652 VanDerWaalsContact C-N 3.35Å; L650-R652 PolarHBondContact O-N 2.98Å; L650-Q653 PolarHBondContact O-N 3.25Å; L650-M654 WeakPolarHBondContact O-CG 3.46Å; L650-M654 PolarHBondContact O-N 3.46Å
651M78.8Confident85.7Confident94 Ų9484.5 Ų84.546%0.46339%0.392SS..Hα-helixtrans-59.2-41173.7-79-79.3-55.600112.9L526 R647 V648 Q649 M654 K655L526-M651 HydrophobicContact CD1-CG 3.95Å; L526-M651 HydrophobicContact CD1-SD 4.13Å; L526-M651 HydrophobicContact CD2-CG 4.47Å; L526-M651 HydrophobicContact CD2-SD 3.67Å; R647-M651 HydrophobicContact CG-CG 4.45Å; R647-M651 WeakPolarHBondContact O-CB 3.35Å; R647-M651 WeakPolarHBondContact O-CG 3.44Å; R647-M651 PolarHBondContact O-N 3.42Å; V648-M651 PolarHBondContact O-N 3.2Å; Q649-M651 PolarHBondContact O-N 2.92Å; M651-M654 PolarHBondContact O-N 3.39Å; M651-K655 PolarHBondContact O-N 3.49Å
652R88.1Confident85.3Confident173 Ų17382.2 Ų82.265%0.65338%0.384SS*.Hα-helixtrans-64.8-49.7178176.2177.4170.8160.74.4110.9V648 Q649 L650 M654 K655 E656V648-R652 WeakPolarHBondContact O-CB 3.28Å; V648-R652 PolarHBondContact O-N 2.99Å; Q649-R652 PolarHBondContact O-N 3.34Å; L650-R652 VanDerWaalsContact C-N 3.35Å; L650-R652 PolarHBondContact O-N 2.98Å; R652-M654 VanDerWaalsContact C-N 3.27Å; R652-M654 PolarHBondContact O-N 3.03Å; R652-K655 WeakPolarHBondContact O-CA 3.47Å; R652-K655 WeakPolarHBondContact O-CB 3.4Å; R652-K655 PolarHBondContact O-N 3.49Å; R652-E656 WeakPolarHBondContact CG-OE1 3.37Å; R652-E656 IonicContact CZ-OE1 2.69Å; R652-E656 VanDerWaalsContact CZ-OE1 3.31Å; R652-E656 IonicContact NE-OE1 3.63Å; R652-E656 PolarHBondContact NE-OE1 3.31Å; R652-E656 IonicContact NH2-OE1 3.23Å; R652-E656 PolarHBondContact NH2-OE1 3.14Å; R652-E656 PolarHBondContact O-N 3.26Å
653Q86.8Confident84.9Confident74 Ų7478.6 Ų78.635%0.34637%0.365SS..Hα-helixtrans-61.1-35.1178.8-170.3175.9-0.300112.1M522 Q649 L650 K655 E656 D657M522-Q653 HydrophobicContact CE-CB 3.72Å; M522-Q653 HydrophobicContact CE-CG 3.65Å; Q649-Q653 PolarHBondContact O-N 3.2Å; L650-Q653 PolarHBondContact O-N 3.25Å; Q653-K655 PolarHBondContact O-N 3.25Å; Q653-E656 PolarHBondContact O-N 2.99Å; Q653-D657 WeakPolarHBondContact O-CB 3.21Å; Q653-D657 PolarHBondContact O-N 2.96Å
654M80.8Confident84.7Confident39 Ų3980.9 Ų80.919%0.19237%0.373CS..Hα-helixtrans-66-29.7171.2-72.1-174.580.400114.1M522 L526 L650 M651 R652 A658M522-M654 HydrophobicContact CB-CE 4.2Å; M522-M654 HydrophobicContact CB-CG 3.71Å; M522-M654 HydrophobicContact CB-SD 3.92Å; M522-M654 HydrophobicContact CE-CG 3.89Å; M522-M654 HydrophobicContact CG-CG 4.45Å; L526-M654 HydrophobicContact CD2-SD 3.94Å; L650-M654 WeakPolarHBondContact O-CG 3.46Å; L650-M654 PolarHBondContact O-N 3.46Å; M651-M654 PolarHBondContact O-N 3.39Å; R652-M654 VanDerWaalsContact C-N 3.27Å; R652-M654 PolarHBondContact O-N 3.03Å; M654-A658 VanDerWaalsContact O-CB 3.28Å; M654-A658 WeakPolarHBondContact O-CB 3.36Å; M654-A658 PolarHBondContact O-N 3.07Å
655K82.3Confident84.1Confident101 Ų10181.8 Ų81.844%0.43938%0.377SS..Hα-helixtrans-72.6-45.1173.2-167.5-176.8177.8-170.80110.4M651 R652 Q653 A658 E659 E1070M651-K655 PolarHBondContact O-N 3.49Å; R652-K655 WeakPolarHBondContact O-CA 3.47Å; R652-K655 WeakPolarHBondContact O-CB 3.4Å; R652-K655 PolarHBondContact O-N 3.49Å; Q653-K655 PolarHBondContact O-N 3.25Å; K655-A658 PolarHBondContact O-N 3.45Å; K655-E659 PolarHBondContact O-N 3.26Å; K655-E659 VanDerWaalsContact O-N 3.09Å; K655-E1070 IonicContact NZ-OE1 2.66Å; K655-E1070 PolarHBondContact NZ-OE1 2.79Å
656E85.9Confident83.4Confident75 Ų7580.9 Ų80.935%0.3537%0.369SS..Hα-helixtrans-64.6-44.3-179.4-67.6170.1177.200112.5R652 Q653 A658 E659 K660R652-E656 WeakPolarHBondContact CG-OE1 3.37Å; R652-E656 IonicContact CZ-OE1 2.69Å; R652-E656 VanDerWaalsContact CZ-OE1 3.31Å; R652-E656 IonicContact NE-OE1 3.63Å; R652-E656 PolarHBondContact NE-OE1 3.31Å; R652-E656 IonicContact NH2-OE1 3.23Å; R652-E656 PolarHBondContact NH2-OE1 3.14Å; R652-E656 PolarHBondContact O-N 3.26Å; Q653-E656 PolarHBondContact O-N 2.99Å; E656-A658 VanDerWaalsContact C-N 3.31Å; E656-A658 PolarHBondContact O-N 3.16Å; E656-E659 PolarHBondContact O-N 2.98Å; E656-K660 PolarHBondContact O-N 3.22Å
657D81.1Confident82.9Confident31 Ų3182.6 Ų82.617%0.16638%0.375CS..Hα-helixtrans-69.5-26.4175.2-82.8-6.7000112.3H515 R518 Q653H515-D657 PolarHBondContact NE2-O 3.17Å; R518-D657 IonicContact CZ-OD2 3.55Å; R518-D657 VanDerWaalsContact CZ-OD2 3.28Å; R518-D657 IonicContact NE-OD2 3.46Å; R518-D657 PolarHBondContact NE-OD2 2.7Å; R518-D657 IonicContact NH2-OD1 3.22Å; R518-D657 IonicContact NH2-OD2 2.74Å; R518-D657 PolarHBondContact NH2-OD2 3.06Å; Q653-D657 WeakPolarHBondContact O-CB 3.21Å; Q653-D657 PolarHBondContact O-N 2.96Å
658A76.9Confident82.2Confident35 Ų3581.6 Ų81.629%0.28937%0.373SS..Hα-helixtrans-72.1-34.4173.700000112.4M654 K655 E656 F661 R662M654-A658 VanDerWaalsContact O-CB 3.28Å; M654-A658 WeakPolarHBondContact O-CB 3.36Å; M654-A658 PolarHBondContact O-N 3.07Å; K655-A658 PolarHBondContact O-N 3.45Å; E656-A658 VanDerWaalsContact C-N 3.31Å; E656-A658 PolarHBondContact O-N 3.16Å; A658-F661 PolarHBondContact O-N 3.21Å; A658-R662 PolarHBondContact O-N 3.03Å
659E81.9Confident81.3Confident27 Ų2780.7 Ų80.713%0.12637%0.365CS..Hα-helixtrans-73.7-45-175.7-15948.3-125.700112.9K655 E656 F661 R662 Q663K655-E659 PolarHBondContact O-N 3.26Å; K655-E659 VanDerWaalsContact O-N 3.09Å; E656-E659 PolarHBondContact O-N 2.98Å; E659-F661 PolarHBondContact O-N 3.15Å; E659-R662 VanDerWaalsContact CD-CZ 3.44Å; E659-R662 VanDerWaalsContact CD-NE 3.29Å; E659-R662 WeakPolarHBondContact O-CA 3.49Å; E659-R662 VanDerWaalsContact O-CB 3.27Å; E659-R662 WeakPolarHBondContact O-CB 3.49Å; E659-R662 PolarHBondContact O-N 3.17Å; E659-R662 WeakPolarHBondContact OE1-CD 3.49Å; E659-R662 IonicContact OE1-CZ 2.75Å; E659-R662 IonicContact OE1-NE 3.55Å; E659-R662 PolarHBondContact OE1-NE 3.47Å; E659-R662 IonicContact OE1-NH1 2.76Å; E659-R662 IonicContact OE1-NH2 3.87Å; E659-R662 IonicContact OE2-CZ 2.84Å; E659-R662 IonicContact OE2-NE 2.63Å; E659-R662 PolarHBondContact OE2-NE 3.04Å; E659-R662 IonicContact OE2-NH1 2.68Å; E659-R662 IonicContact OE2-NH2 2.79Å; E659-R662 PolarHBondContact OE2-NH2 3.09Å; E659-Q663 WeakPolarHBondContact O-CG 3.34Å; E659-Q663 PolarHBondContact O-N 2.89Å
660K83.1Confident81Confident120 Ų12080.3 Ų80.352%0.52236%0.361SS..Hα-helixtrans-54.5-38173.7-67.8167.7-176.4172.90111.7E656 W664E656-K660 PolarHBondContact O-N 3.22Å; K660-W664 WeakPolarHBondContact O-CB 3.45Å; K660-W664 PolarHBondContact O-N 2.81Å
661F77.3Confident80.7Confident56 Ų5683.6 Ų83.625%0.24638%0.376CS..Hα-helixtrans-71.4-39.7173.8-176.2-98000113.3F511 T512 H515 A658 E659 Q663 W664 K665F511-F661 HydrophobicContact CE1-CD2 4.31Å; T512-F661 HydrophobicContact CG2-CE2 4.17Å; H515-F661 HydrophobicContact CB-CD2 4.12Å; H515-F661 HydrophobicContact CB-CE2 4.44Å; H515-F661 AromaticContact CE1-CG 3.61Å; H515-F661 AromaticContact CG-CD2 3.66Å; H515-F661 AromaticContact ND1-CD2 3.61Å; H515-F661 AromaticContact ND1-CG 3.68Å; H515-F661 WeakPolarHBondContact NE2-CB 3.42Å; H515-F661 AromaticContact NE2-CG 3.96Å; A658-F661 PolarHBondContact O-N 3.21Å; E659-F661 PolarHBondContact O-N 3.15Å; F661-Q663 VanDerWaalsContact C-N 3.29Å; F661-Q663 PolarHBondContact O-N 3.27Å; F661-W664 HydrophobicContact CD2-CE3 4.33Å; F661-W664 HydrophobicContact CE2-CE3 4.12Å; F661-W664 HydrophobicContact CE2-CZ3 4.18Å; F661-W664 PolarHBondContact O-N 2.97Å; F661-K665 VanDerWaalsContact O-CB 3.28Å; F661-K665 WeakPolarHBondContact O-CB 3.43Å; F661-K665 PolarHBondContact O-N 3.22Å
662R81.5Confident80.3Confident102 Ų10281.8 Ų81.839%0.38537%0.37SS..Hα-helixtrans-55.4-46.5175.3-161.7-155.6-62.4-171.23.6110.7A658 E659 Q666 D1068A658-R662 PolarHBondContact O-N 3.03Å; E659-R662 VanDerWaalsContact CD-CZ 3.44Å; E659-R662 VanDerWaalsContact CD-NE 3.29Å; E659-R662 WeakPolarHBondContact O-CA 3.49Å; E659-R662 VanDerWaalsContact O-CB 3.27Å; E659-R662 WeakPolarHBondContact O-CB 3.49Å; E659-R662 PolarHBondContact O-N 3.17Å; E659-R662 WeakPolarHBondContact OE1-CD 3.49Å; E659-R662 IonicContact OE1-CZ 2.75Å; E659-R662 IonicContact OE1-NE 3.55Å; E659-R662 PolarHBondContact OE1-NE 3.47Å; E659-R662 IonicContact OE1-NH1 2.76Å; E659-R662 IonicContact OE1-NH2 3.87Å; E659-R662 IonicContact OE2-CZ 2.84Å; E659-R662 IonicContact OE2-NE 2.63Å; E659-R662 PolarHBondContact OE2-NE 3.04Å; E659-R662 IonicContact OE2-NH1 2.68Å; E659-R662 IonicContact OE2-NH2 2.79Å; E659-R662 PolarHBondContact OE2-NH2 3.09Å; R662-Q666 WeakPolarHBondContact O-CG 3.4Å; R662-Q666 PolarHBondContact O-N 3.37Å; R662-D1068 IonicContact CZ-OD1 2.72Å; R662-D1068 IonicContact CZ-OD2 3.73Å; R662-D1068 IonicContact NH1-OD1 2.71Å; R662-D1068 PolarHBondContact NH1-OD1 3.26Å; R662-D1068 IonicContact NH1-OD2 2.67Å; R662-D1068 PolarHBondContact NH1-OD2 2.9Å; R662-D1068 IonicContact NH2-OD2 2.78Å; R662-D1068 PolarHBondContact NH2-OD2 3.43Å
663Q81.2Confident79.7Confident31 Ų3178.9 Ų78.915%0.14537%0.366CS..Hα-helixtrans-73-44.2-179.7-60.9165.931.600113.4E659 F661 K665 Q666 K667 E1066E659-Q663 WeakPolarHBondContact O-CG 3.34Å; E659-Q663 PolarHBondContact O-N 2.89Å; F661-Q663 VanDerWaalsContact C-N 3.29Å; F661-Q663 PolarHBondContact O-N 3.27Å; Q663-K665 PolarHBondContact O-N 3.24Å; Q663-Q666 PolarHBondContact O-N 2.94Å; Q663-Q666 VanDerWaalsContact O-N 3.12Å; Q663-K667 WeakPolarHBondContact O-CG 3.27Å; Q663-K667 PolarHBondContact O-N 2.95Å; Q663-E1066 PolarHBondContact NE2-OE1 3.48Å; Q663-E1066 VanDerWaalsContact NE2-OE1 3.13Å; Q663-E1066 PolarHBondContact NE2-OE2 3.41Å; Q663-E1066 PolarHBondContact OE1-OE1 3.06Å
664W85.3Confident79.3Confident69 Ų6980.5 Ų80.526%0.26137%0.374SS..Hα-helixtrans-54.1-44.8174.1176.192.3000110.5F511 T512 K660 F661 K667 K668F511-W664 HydrophobicContact CB-CZ2 4.34Å; F511-W664 AromaticContact CD1-CD2 3.63Å; F511-W664 HydrophobicContact CD1-CD2 3.63Å; F511-W664 AromaticContact CD1-CE2 3.45Å; F511-W664 VanDerWaalsContact CD1-CE2 3.45Å; F511-W664 HydrophobicContact CD1-CE3 4.07Å; F511-W664 HydrophobicContact CD1-CG 4.04Å; F511-W664 HydrophobicContact CD1-CH2 4.24Å; F511-W664 AromaticContact CD1-CZ2 3.79Å; F511-W664 HydrophobicContact CD1-CZ2 3.79Å; F511-W664 HydrophobicContact CD1-CZ3 4.36Å; F511-W664 AromaticContact CD1-NE1 3.69Å; F511-W664 HydrophobicContact CE1-CB 4.13Å; F511-W664 AromaticContact CE1-CD1 3.7Å; F511-W664 AromaticContact CE1-CD2 3.6Å; F511-W664 HydrophobicContact CE1-CD2 3.6Å; F511-W664 AromaticContact CE1-CE2 3.84Å; F511-W664 HydrophobicContact CE1-CE3 4.15Å; F511-W664 AromaticContact CE1-CG 3.56Å; F511-W664 HydrophobicContact CE1-CG 3.56Å; F511-W664 AromaticContact CE1-NE1 3.85Å; F511-W664 HydrophobicContact CG-CZ2 4.39Å; F511-W664 HydrophobicContact CZ-CG 4.32Å; T512-W664 HydrophobicContact CG2-CH2 3.57Å; T512-W664 HydrophobicContact CG2-CZ3 3.61Å; K660-W664 WeakPolarHBondContact O-CB 3.45Å; K660-W664 PolarHBondContact O-N 2.81Å; F661-W664 HydrophobicContact CD2-CE3 4.33Å; F661-W664 HydrophobicContact CE2-CE3 4.12Å; F661-W664 HydrophobicContact CE2-CZ3 4.18Å; F661-W664 PolarHBondContact O-N 2.97Å; W664-K667 PolarHBondContact O-N 2.96Å; W664-K668 HydrophobicContact CH2-CG 4.37Å; W664-K668 HydrophobicContact CZ2-CG 4.14Å; W664-K668 PolarHBondContact O-N 2.95Å
665K77.3Confident78.9Confident106 Ų10682.6 Ų82.646%0.46139%0.385SS..Hα-helixtrans-62.6-46.3175.1-176.2177.9176.9-177.70112.3F661 Q663 K667 K668 D669F661-K665 VanDerWaalsContact O-CB 3.28Å; F661-K665 WeakPolarHBondContact O-CB 3.43Å; F661-K665 PolarHBondContact O-N 3.22Å; Q663-K665 PolarHBondContact O-N 3.24Å; K665-K667 VanDerWaalsContact C-N 3.3Å; K665-K667 PolarHBondContact O-N 2.69Å; K665-K668 PolarHBondContact O-N 3.13Å; K665-D669 WeakPolarHBondContact CE-OD2 3.32Å; K665-D669 WeakPolarHBondContact CG-OD2 3.49Å; K665-D669 WeakPolarHBondContact O-CB 3.45Å; K665-D669 PolarHBondContact O-N 2.78Å
666Q74.9Confident78.1Confident98 Ų9884.6 Ų84.646%0.45839%0.394SS..Hα-helixtrans-58.9-39.5175.4-75.4-171.23700112.9R662 Q663 K670R662-Q666 WeakPolarHBondContact O-CG 3.4Å; R662-Q666 PolarHBondContact O-N 3.37Å; Q663-Q666 PolarHBondContact O-N 2.94Å; Q663-Q666 VanDerWaalsContact O-N 3.12Å; Q666-K670 VanDerWaalsContact O-CG 3.29Å; Q666-K670 WeakPolarHBondContact O-CG 3.15Å; Q666-K670 PolarHBondContact O-N 3.33Å
667K78.1Confident77.5Confident144 Ų14485.9 Ų85.963%0.62640%0.4SS*.Hα-helixtrans-62.7-43.4176.3-70.4170.7-174.4173.40110.3Q663 W664 K665 E671Q663-K667 WeakPolarHBondContact O-CG 3.27Å; Q663-K667 PolarHBondContact O-N 2.95Å; W664-K667 PolarHBondContact O-N 2.96Å; K665-K667 VanDerWaalsContact C-N 3.3Å; K665-K667 PolarHBondContact O-N 2.69Å; K667-E671 PolarHBondContact O-N 3.14Å
668K77.7Confident77.2Confident79 Ų7990.2 Ų90.234%0.34341%0.414SS..Hα-helixtrans-71.4-40.1176.4-77.8-75.7162-162.70114.7W664 K665 K670 E671 V672W664-K668 HydrophobicContact CH2-CG 4.37Å; W664-K668 HydrophobicContact CZ2-CG 4.14Å; W664-K668 PolarHBondContact O-N 2.95Å; K665-K668 PolarHBondContact O-N 3.13Å; K668-K670 VanDerWaalsContact C-N 3.29Å; K668-K670 PolarHBondContact O-N 2.91Å; K668-E671 WeakPolarHBondContact CD-OE2 3.33Å; K668-E671 WeakPolarHBondContact CE-OE2 3.36Å; K668-E671 IonicContact NZ-OE1 3.51Å; K668-E671 PolarHBondContact NZ-OE1 3.03Å; K668-E671 IonicContact NZ-OE2 3.92Å; K668-E671 PolarHBondContact NZ-OE2 3.12Å; K668-E671 WeakPolarHBondContact O-CB 3.1Å; K668-E671 PolarHBondContact O-N 2.8Å; K668-V672 WeakPolarHBondContact O-CG2 3.48Å; K668-V672 PolarHBondContact O-N 3.36Å
669D70.3Confident76.5Confident81 Ų8192.3 Ų92.343%0.43342%0.42SS..Hα-helixtrans-62.5-37.1177.2-80-31.7000111.2K665 V672 I673K665-D669 WeakPolarHBondContact CE-OD2 3.32Å; K665-D669 WeakPolarHBondContact CG-OD2 3.49Å; K665-D669 WeakPolarHBondContact O-CB 3.45Å; K665-D669 PolarHBondContact O-N 2.78Å; D669-V672 PolarHBondContact O-N 2.76Å; D669-I673 WeakPolarHBondContact O-CD1 3.42Å; D669-I673 VanDerWaalsContact O-CG1 3.29Å; D669-I673 WeakPolarHBondContact O-CG1 3.46Å; D669-I673 PolarHBondContact O-N 2.94Å; D669-I673 VanDerWaalsContact O-N 3.08Å
670K83.9Confident76Confident128 Ų128100.3 Ų100.356%0.55745%0.449SS*.Hα-helixtrans-62.4-43.8173.1-73.3169.9-176.7175.50112.5Q666 K668 I673 Q674Q666-K670 VanDerWaalsContact O-CG 3.29Å; Q666-K670 WeakPolarHBondContact O-CG 3.15Å; Q666-K670 PolarHBondContact O-N 3.33Å; K668-K670 VanDerWaalsContact C-N 3.29Å; K668-K670 PolarHBondContact O-N 2.91Å; K670-I673 PolarHBondContact O-N 3.13Å; K670-Q674 PolarHBondContact O-N 3.02Å
671E80.6Confident75.5Confident92 Ų92100.1 Ų100.143%0.4345%0.449SS..Hα-helixtrans-61-44.9177.2-172.3-176.6168.900111.8K667 K668 I673 Q674 L675K667-E671 PolarHBondContact O-N 3.14Å; K668-E671 WeakPolarHBondContact CD-OE2 3.33Å; K668-E671 WeakPolarHBondContact CE-OE2 3.36Å; K668-E671 IonicContact NZ-OE1 3.51Å; K668-E671 PolarHBondContact NZ-OE1 3.03Å; K668-E671 IonicContact NZ-OE2 3.92Å; K668-E671 PolarHBondContact NZ-OE2 3.12Å; K668-E671 WeakPolarHBondContact O-CB 3.1Å; K668-E671 PolarHBondContact O-N 2.8Å; E671-I673 VanDerWaalsContact C-N 3.34Å; E671-I673 PolarHBondContact O-N 3.44Å; E671-Q674 PolarHBondContact O-N 3.38Å; E671-L675 HydrophobicContact CG-CD1 4.48Å; E671-L675 PolarHBondContact O-N 3.02Å; E671-L675 VanDerWaalsContact O-N 3.12Å
672V71.5Confident75.1Confident57 Ų57105 Ų10535%0.34547%0.465SS..Hα-helixtrans-63.9-35.9177170.90000112.3K668 D669 K676K668-V672 WeakPolarHBondContact O-CG2 3.48Å; K668-V672 PolarHBondContact O-N 3.36Å; D669-V672 PolarHBondContact O-N 2.76Å; V672-K676 HydrophobicContact CG1-CD 4.02Å; V672-K676 WeakPolarHBondContact O-CG 3.5Å; V672-K676 PolarHBondContact O-N 2.89Å; V672-K676 VanDerWaalsContact O-N 3.14Å
673I75Confident74.4Confident112 Ų112105.8 Ų105.857%0.57447%0.473SS*.Hα-helixtrans-64.9-45.9175.5-71.4163.4000110.8D669 K670 E671 L675 K676 E677D669-I673 WeakPolarHBondContact O-CD1 3.42Å; D669-I673 VanDerWaalsContact O-CG1 3.29Å; D669-I673 WeakPolarHBondContact O-CG1 3.46Å; D669-I673 PolarHBondContact O-N 2.94Å; D669-I673 VanDerWaalsContact O-N 3.08Å; K670-I673 PolarHBondContact O-N 3.13Å; E671-I673 VanDerWaalsContact C-N 3.34Å; E671-I673 PolarHBondContact O-N 3.44Å; I673-L675 PolarHBondContact O-N 3.36Å; I673-K676 PolarHBondContact O-N 3.44Å; I673-E677 PolarHBondContact O-N 2.74Å
674Q78.1Confident74.1Confident107 Ų107112 Ų11250%0.550%0.497SS..Hα-helixtrans-61.7-41.8178.2-67-176.312.400112.5K670 E671 E677 R678K670-Q674 PolarHBondContact O-N 3.02Å; E671-Q674 PolarHBondContact O-N 3.38Å; Q674-E677 PolarHBondContact O-N 3.1Å; Q674-R678 WeakPolarHBondContact O-CG 3.45Å; Q674-R678 PolarHBondContact O-N 3.18Å; Q674-R678 VanDerWaalsContact O-N 3.17Å
675L72.1Confident73.3Confident83 Ų83114.5 Ų114.544%0.43551%0.511SS..Hα-helixtrans-59.9-47.8176.3-76.4162.2000111.5E671 I673 E677 R678 D679E671-L675 HydrophobicContact CG-CD1 4.48Å; E671-L675 PolarHBondContact O-N 3.02Å; E671-L675 VanDerWaalsContact O-N 3.12Å; I673-L675 PolarHBondContact O-N 3.36Å; L675-E677 VanDerWaalsContact C-N 3.27Å; L675-E677 PolarHBondContact O-N 2.87Å; L675-R678 PolarHBondContact O-N 3.18Å; L675-D679 PolarHBondContact O-N 2.77Å; L675-D679 VanDerWaalsContact O-N 3.13Å
676K66.8Low72.5Confident144 Ų144115.1 Ų115.163%0.62652%0.519SS*.Hα-helixtrans-61.9-31.9177.4-73.1169.5-179.9170.20113.1V672 I673 R680V672-K676 HydrophobicContact CG1-CD 4.02Å; V672-K676 WeakPolarHBondContact O-CG 3.5Å; V672-K676 PolarHBondContact O-N 2.89Å; V672-K676 VanDerWaalsContact O-N 3.14Å; I673-K676 PolarHBondContact O-N 3.44Å; K676-R680 WeakPolarHBondContact O-CB 3.44Å; K676-R680 PolarHBondContact O-N 3.14Å; K676-R680 VanDerWaalsContact O-N 3.08Å
677E72.9Confident72.1Confident101 Ų101114.6 Ų114.647%0.47252%0.519SS..Hα-helixtrans-71.8-37.8176.3-155.9-164.8132.900112.5I673 Q674 L675 R680 K681I673-E677 PolarHBondContact O-N 2.74Å; Q674-E677 PolarHBondContact O-N 3.1Å; L675-E677 VanDerWaalsContact C-N 3.27Å; L675-E677 PolarHBondContact O-N 2.87Å; E677-R680 PolarHBondContact O-N 2.85Å; E677-K681 WeakPolarHBondContact O-CG 3.49Å; E677-K681 PolarHBondContact O-N 3.4Å; E677-K681 VanDerWaalsContact O-N 3.16Å; E677-K681 WeakPolarHBondContact OE1-CE 3.45Å; E677-K681 IonicContact OE1-NZ 2.7Å; E677-K681 PolarHBondContact OE1-NZ 2.6Å
678R73.9Confident71.8Confident122 Ų122113.7 Ų113.746%0.4652%0.515SS..Hα-helixtrans-63.6-46.2174.9-64.9174.9-157.8130.67.1111.4Q674 L675 R680 K681 R682Q674-R678 WeakPolarHBondContact O-CG 3.45Å; Q674-R678 PolarHBondContact O-N 3.18Å; Q674-R678 VanDerWaalsContact O-N 3.17Å; L675-R678 PolarHBondContact O-N 3.18Å; R678-R680 PolarHBondContact O-N 3.21Å; R678-K681 WeakPolarHBondContact O-CB 3.28Å; R678-K681 PolarHBondContact O-N 3.25Å; R678-R682 PolarHBondContact O-N 3.01Å; R678-R682 VanDerWaalsContact O-N 3.09Å
679D62.4Low71.1Confident79 Ų79115.9 Ų115.942%0.42253%0.53SS..Hα-helixtrans-64.8-38.7177.2-85.9-0.7000112.4L675 K681 R682 Q683L675-D679 PolarHBondContact O-N 2.77Å; L675-D679 VanDerWaalsContact O-N 3.13Å; D679-K681 PolarHBondContact O-N 2.85Å; D679-R682 PolarHBondContact O-N 3.3Å; D679-R682 IonicContact OD1-NH1 2.67Å; D679-R682 PolarHBondContact OD1-NH1 2.98Å; D679-Q683 WeakPolarHBondContact O-CB 3.42Å; D679-Q683 VanDerWaalsContact O-CG 3.3Å; D679-Q683 WeakPolarHBondContact O-CG 3.21Å; D679-Q683 PolarHBondContact O-N 2.88Å
680R72.3Confident70.6Confident195 Ų195117.7 Ų117.774%0.73654%0.536SS*.Hα-helixtrans-61.5-32.2174.7-175.4176.2174.7-170-3.2112.7K676 E677 R678 Y684K676-R680 WeakPolarHBondContact O-CB 3.44Å; K676-R680 PolarHBondContact O-N 3.14Å; K676-R680 VanDerWaalsContact O-N 3.08Å; E677-R680 PolarHBondContact O-N 2.85Å; R678-R680 PolarHBondContact O-N 3.21Å; R680-Y684 PolarHBondContact O-N 3.01Å
681K73.6Confident69.9Low116 Ų116118.9 Ų118.950%0.50454%0.537SS..Hα-helixtrans-70.5-50.6174.1-71.6169.6-174.8174.30111E677 R678 D679 Q683 Y684 E685E677-K681 WeakPolarHBondContact O-CG 3.49Å; E677-K681 PolarHBondContact O-N 3.4Å; E677-K681 VanDerWaalsContact O-N 3.16Å; E677-K681 WeakPolarHBondContact OE1-CE 3.45Å; E677-K681 IonicContact OE1-NZ 2.7Å; E677-K681 PolarHBondContact OE1-NZ 2.6Å; R678-K681 WeakPolarHBondContact O-CB 3.28Å; R678-K681 PolarHBondContact O-N 3.25Å; D679-K681 PolarHBondContact O-N 2.85Å; K681-Q683 VanDerWaalsContact C-N 3.34Å; K681-Q683 PolarHBondContact O-N 3.27Å; K681-Y684 WeakPolarHBondContact O-CB 3.49Å; K681-Y684 PolarHBondContact O-N 3.46Å; K681-E685 PolarHBondContact O-N 2.9Å; K681-E685 VanDerWaalsContact O-N 3.07Å
682R68.9Low68.9Low158 Ų158118 Ų11860%0.59654%0.535SS*.Hα-helixtrans-54.2-46.1174.7-70.6171.1167.1171.6-10.2112.9R678 D679 Y684 E685 L686R678-R682 PolarHBondContact O-N 3.01Å; R678-R682 VanDerWaalsContact O-N 3.09Å; D679-R682 PolarHBondContact O-N 3.3Å; D679-R682 IonicContact OD1-NH1 2.67Å; D679-R682 PolarHBondContact OD1-NH1 2.98Å; R682-Y684 VanDerWaalsContact C-N 3.3Å; R682-Y684 PolarHBondContact O-N 2.98Å; R682-E685 PolarHBondContact O-N 3.46Å; R682-L686 WeakPolarHBondContact O-CG 3.14Å; R682-L686 PolarHBondContact O-N 3.13Å
683Q66.5Low68.8Low119 Ų119122.2 Ų122.256%0.55655%0.549SS*.Hα-helixtrans-62-35.7177.6-73.51753.500112.7D679 K681 L687D679-Q683 WeakPolarHBondContact O-CB 3.42Å; D679-Q683 VanDerWaalsContact O-CG 3.3Å; D679-Q683 WeakPolarHBondContact O-CG 3.21Å; D679-Q683 PolarHBondContact O-N 2.88Å; K681-Q683 VanDerWaalsContact C-N 3.34Å; K681-Q683 PolarHBondContact O-N 3.27Å; Q683-L687 WeakPolarHBondContact O-CB 3.1Å; Q683-L687 WeakPolarHBondContact O-CD1 3.44Å; Q683-L687 VanDerWaalsContact O-CG 3.27Å; Q683-L687 WeakPolarHBondContact O-CG 3.16Å; Q683-L687 PolarHBondContact O-N 3.45Å; Q683-L687 VanDerWaalsContact O-N 3.16Å
684Y74.6Confident68.1Low162 Ų162122.8 Ų122.864%0.63555%0.549SS*.Hα-helixtrans-69.9-37.5176-178.9-104.3000112.3R680 K681 R682 K688R680-Y684 PolarHBondContact O-N 3.01Å; K681-Y684 WeakPolarHBondContact O-CB 3.49Å; K681-Y684 PolarHBondContact O-N 3.46Å; R682-Y684 VanDerWaalsContact C-N 3.3Å; R682-Y684 PolarHBondContact O-N 2.98Å; Y684-K688 WeakPolarHBondContact O-CB 3.47Å; Y684-K688 PolarHBondContact O-N 3.11Å
685E68.2Low67.6Low122 Ų122124.1 Ų124.157%0.5755%0.553SS**Hα-helixtrans-67.1-44.7177.6-70.5165.116200111.7K681 R682 K688 L689K681-E685 PolarHBondContact O-N 2.9Å; K681-E685 VanDerWaalsContact O-N 3.07Å; R682-E685 PolarHBondContact O-N 3.46Å; E685-K688 WeakPolarHBondContact O-CB 3.24Å; E685-K688 PolarHBondContact O-N 3.21Å; E685-L689 PolarHBondContact O-N 3.37Å
686L61.3Low67.2Low118 Ų118126 Ų12662%0.61856%0.56SS**Hα-helixtrans-58.2-50.1173-70.8169.8000112R682 K688 L689 E690R682-L686 WeakPolarHBondContact O-CG 3.14Å; R682-L686 PolarHBondContact O-N 3.13Å; L686-K688 PolarHBondContact O-N 3.29Å; L686-L689 PolarHBondContact O-N 3.35Å; L686-L689 VanDerWaalsContact O-N 3.1Å; L686-E690 WeakPolarHBondContact O-CB 3.48Å; L686-E690 PolarHBondContact O-N 3.4Å
687L66.1Low66.9Low87 Ų87122.1 Ų122.146%0.45555%0.551SS.*Hα-helixtrans-64.6-22.7177.9-72.9170.5000113.8Q683 R691Q683-L687 WeakPolarHBondContact O-CB 3.1Å; Q683-L687 WeakPolarHBondContact O-CD1 3.44Å; Q683-L687 VanDerWaalsContact O-CG 3.27Å; Q683-L687 WeakPolarHBondContact O-CG 3.16Å; Q683-L687 PolarHBondContact O-N 3.45Å; Q683-L687 VanDerWaalsContact O-N 3.16Å; L687-R691 WeakPolarHBondContact O-CB 3.49Å; L687-R691 PolarHBondContact O-N 2.83Å
688K71.3Confident66.4Low125 Ų125120.9 Ų120.954%0.54355%0.547SS..Hα-helixtrans-76.8-42.3172.3-178.3-172.2176.3-169.70110.7Y684 E685 L686 N692Y684-K688 WeakPolarHBondContact O-CB 3.47Å; Y684-K688 PolarHBondContact O-N 3.11Å; E685-K688 WeakPolarHBondContact O-CB 3.24Å; E685-K688 PolarHBondContact O-N 3.21Å; L686-K688 PolarHBondContact O-N 3.29Å; K688-N692 PolarHBondContact O-N 2.92Å
689L64Low66.2Low125 Ų125119.3 Ų119.365%0.65455%0.551SS**Hα-helixtrans-66.9-49.5180-154.774.3000111.3E685 L686 R691 N692 F693E685-L689 PolarHBondContact O-N 3.37Å; L686-L689 PolarHBondContact O-N 3.35Å; L686-L689 VanDerWaalsContact O-N 3.1Å; L689-R691 VanDerWaalsContact C-N 3.33Å; L689-R691 PolarHBondContact O-N 2.86Å; L689-N692 WeakPolarHBondContact O-CB 3.23Å; L689-N692 PolarHBondContact O-N 2.62Å; L689-F693 PolarHBondContact O-N 2.99Å
690E59.6Low66.2Low119 Ų119118.9 Ų118.956%0.55655%0.548SS*.Hα-helixtrans-56.3-44.5176.9-177.1-176.7-153.100112L686 N692 F693 Q694L686-E690 WeakPolarHBondContact O-CB 3.48Å; L686-E690 PolarHBondContact O-N 3.4Å; E690-N692 VanDerWaalsContact C-N 3.28Å; E690-N692 PolarHBondContact O-N 3.32Å; E690-F693 PolarHBondContact O-N 3.25Å; E690-Q694 WeakPolarHBondContact O-CB 3.39Å; E690-Q694 PolarHBondContact O-N 3.06Å
691R67.5Low66Low154 Ų154116.2 Ų116.258%0.58154%0.538SS*.Hα-helixtrans-61.8-34.9176.5-173.9-174.5-58.51764.7112.7L687 L689 K695L687-R691 WeakPolarHBondContact O-CB 3.49Å; L687-R691 PolarHBondContact O-N 2.83Å; L689-R691 VanDerWaalsContact C-N 3.33Å; L689-R691 PolarHBondContact O-N 2.86Å; R691-K695 WeakPolarHBondContact O-CG 3.2Å; R691-K695 PolarHBondContact O-N 2.9Å; R691-K695 VanDerWaalsContact O-N 3.15Å
692N60.3Low65.7Low73 Ų73118.7 Ų118.739%0.3955%0.545SS..Hα-helixtrans-73.5-45.3178.8-73-11.4000111K688 L689 E690 Q694 K695 Q696K688-N692 PolarHBondContact O-N 2.92Å; L689-N692 WeakPolarHBondContact O-CB 3.23Å; L689-N692 PolarHBondContact O-N 2.62Å; E690-N692 VanDerWaalsContact C-N 3.28Å; E690-N692 PolarHBondContact O-N 3.32Å; N692-Q694 VanDerWaalsContact C-N 3.34Å; N692-Q694 PolarHBondContact O-N 3.19Å; N692-K695 WeakPolarHBondContact O-CB 3.42Å; N692-K695 PolarHBondContact O-N 2.69Å; N692-K695 VanDerWaalsContact O-N 3.13Å; N692-Q696 PolarHBondContact O-N 3.17Å
693F68.9Low65.6Low146 Ų146114.8 Ų114.864%0.6453%0.532SS*.Hα-helixtrans-57.4-46.4173.6-177.8-103.1000111.8L689 E690 K695 Q696 S697L689-F693 PolarHBondContact O-N 2.99Å; E690-F693 PolarHBondContact O-N 3.25Å; F693-K695 VanDerWaalsContact C-N 3.29Å; F693-K695 PolarHBondContact O-N 3.18Å; F693-Q696 PolarHBondContact O-N 2.91Å; F693-Q696 VanDerWaalsContact O-N 3.16Å; F693-S697 PolarHBondContact O-N 3.12Å
694Q61.8Low65.6Low123 Ų123111 Ų11158%0.57552%0.517SS*.Hα-helixtrans-64.6-30.6177.9-165.2177.571.500112.7E690 N692 N698E690-Q694 WeakPolarHBondContact O-CB 3.39Å; E690-Q694 PolarHBondContact O-N 3.06Å; N692-Q694 VanDerWaalsContact C-N 3.34Å; N692-Q694 PolarHBondContact O-N 3.19Å; Q694-N698 PolarHBondContact O-N 2.84Å; Q694-N698 PolarHBondContact O-ND2 2.92Å
695K67.3Low65.5Low135 Ų135107.8 Ų107.859%0.58751%0.508SS*.Hα-helixtrans-66.4-47.8170.5-78.6174.6174.2-172.30111.9R691 N692 F693 N698 V699R691-K695 WeakPolarHBondContact O-CG 3.2Å; R691-K695 PolarHBondContact O-N 2.9Å; R691-K695 VanDerWaalsContact O-N 3.15Å; N692-K695 WeakPolarHBondContact O-CB 3.42Å; N692-K695 PolarHBondContact O-N 2.69Å; N692-K695 VanDerWaalsContact O-N 3.13Å; F693-K695 VanDerWaalsContact C-N 3.29Å; F693-K695 PolarHBondContact O-N 3.18Å; K695-N698 PolarHBondContact O-N 3.49Å; K695-V699 PolarHBondContact O-N 3.15Å
696Q62.6Low65.6Low123 Ų123108 Ų10858%0.57551%0.509SS*.Hα-helixtrans-60.3-47.7180-71166.2-5100111.2N692 F693 N698 V699 L700N692-Q696 PolarHBondContact O-N 3.17Å; F693-Q696 PolarHBondContact O-N 2.91Å; F693-Q696 VanDerWaalsContact O-N 3.16Å; Q696-N698 VanDerWaalsContact C-N 3.32Å; Q696-N698 PolarHBondContact O-N 3.28Å; Q696-V699 PolarHBondContact O-N 3.14Å; Q696-L700 PolarHBondContact O-N 2.91Å
697S60.8Low65.7Low62 Ų62102.6 Ų102.643%0.43448%0.481SS..Hα-helixtrans-54.2-43.1175.2178.50000113F693 V699 L700 R701F693-S697 PolarHBondContact O-N 3.12Å; S697-V699 PolarHBondContact O-N 3.02Å; S697-L700 PolarHBondContact O-N 2.71Å; S697-R701 PolarHBondContact O-N 2.87Å
698N61.8Low66Low75 Ų75101.3 Ų101.340%0.40148%0.483SS..Hα-helixtrans-69-28.5178-83.9-79.3000113.8Q694 K695 Q696 R702Q694-N698 PolarHBondContact O-N 2.84Å; Q694-N698 PolarHBondContact O-ND2 2.92Å; K695-N698 PolarHBondContact O-N 3.49Å; Q696-N698 VanDerWaalsContact C-N 3.32Å; Q696-N698 PolarHBondContact O-N 3.28Å; N698-R702 PolarHBondContact O-N 3.19Å
699V69.4Low66.1Low89 Ų8997.3 Ų97.354%0.53947%0.473SS..Hα-helixtrans-73.2-45.3174.4173.50000110.5K695 Q696 S697 R701 R702 K703K695-V699 PolarHBondContact O-N 3.15Å; Q696-V699 PolarHBondContact O-N 3.14Å; S697-V699 PolarHBondContact O-N 3.02Å; V699-R701 VanDerWaalsContact C-N 3.31Å; V699-R701 PolarHBondContact O-N 3.38Å; V699-R702 PolarHBondContact O-N 2.98Å; V699-K703 PolarHBondContact O-N 3.41Å; V699-K703 VanDerWaalsContact O-N 3.08Å
700L63.3Low66.2Low70 Ų7092.5 Ų92.537%0.36645%0.451SS..Hα-helixtrans-57.3-44.8175.6-70.3168.1000111.2Q696 S697 R702 K703 T704 E826Q696-L700 PolarHBondContact O-N 2.91Å; S697-L700 PolarHBondContact O-N 2.71Å; L700-R702 VanDerWaalsContact C-N 3.34Å; L700-R702 PolarHBondContact O-N 3.37Å; L700-K703 PolarHBondContact O-N 2.69Å; L700-T704 PolarHBondContact O-N 3.24Å; L700-T704 PolarHBondContact O-OG1 2.88Å; L700-E826 HydrophobicContact CD2-CG 4.25Å
701R68.6Low66.7Low140 Ų14088.2 Ų88.253%0.52843%0.432SS..Hα-helixtrans-61.7-36.7178.4-143.6-168.778.2-154.30.7113.5S697 V699 T704 E705S697-R701 PolarHBondContact O-N 2.87Å; V699-R701 VanDerWaalsContact C-N 3.31Å; V699-R701 PolarHBondContact O-N 3.38Å; R701-T704 WeakPolarHBondContact CA-OG1 3.34Å; R701-T704 PolarHBondContact O-N 3.45Å; R701-T704 PolarHBondContact O-OG1 3.1Å; R701-E705 IonicContact CZ-OE1 3.16Å; R701-E705 VanDerWaalsContact CZ-OE1 3.23Å; R701-E705 IonicContact NE-OE1 2.7Å; R701-E705 PolarHBondContact NE-OE1 3.38Å; R701-E705 IonicContact NH2-OE1 2.75Å; R701-E705 PolarHBondContact NH2-OE1 3.06Å; R701-E705 WeakPolarHBondContact O-CB 3.47Å; R701-E705 WeakPolarHBondContact O-CG 3.47Å; R701-E705 PolarHBondContact O-N 2.68Å
702R67.9Low67.1Low168 Ų16887 Ų8763%0.63443%0.431SS*.Hα-helixtrans-68.3-46.8174.4-73.2178.2179-176.8-1.3112N698 V699 L700 T704 E705 E706N698-R702 PolarHBondContact O-N 3.19Å; V699-R702 PolarHBondContact O-N 2.98Å; L700-R702 VanDerWaalsContact C-N 3.34Å; L700-R702 PolarHBondContact O-N 3.37Å; R702-T704 PolarHBondContact O-N 3.31Å; R702-E705 PolarHBondContact O-N 3.44Å; R702-E706 WeakPolarHBondContact O-CB 3.3Å; R702-E706 WeakPolarHBondContact O-CG 3.36Å; R702-E706 PolarHBondContact O-N 3.04Å
703K66.2Low67.7Low75 Ų7590.5 Ų90.533%0.32644%0.439SS..Hα-helixtrans-59.1-30.6175.9-83-165.2166.9-166.80112.7V699 L700 A707 D770V699-K703 PolarHBondContact O-N 3.41Å; V699-K703 VanDerWaalsContact O-N 3.08Å; L700-K703 PolarHBondContact O-N 2.69Å; K703-A707 WeakPolarHBondContact O-CB 3.4Å; K703-A707 PolarHBondContact O-N 3.17Å; K703-D770 IonicContact NZ-OD1 2.76Å; K703-D770 PolarHBondContact NZ-OD1 3.08Å; K703-D770 IonicContact NZ-OD2 2.61Å; K703-D770 PolarHBondContact NZ-OD2 3.36Å
704T66Low68.1Low39 Ų3983.7 Ų83.724%0.23941%0.409CS..Hα-helixtrans-82.4-37.4176530000113.4L700 R701 R702 A707 A708 F829L700-T704 PolarHBondContact O-N 3.24Å; L700-T704 PolarHBondContact O-OG1 2.88Å; R701-T704 WeakPolarHBondContact CA-OG1 3.34Å; R701-T704 PolarHBondContact O-N 3.45Å; R701-T704 PolarHBondContact O-OG1 3.1Å; R702-T704 PolarHBondContact O-N 3.31Å; T704-A707 PolarHBondContact O-N 3.24Å; T704-A708 WeakPolarHBondContact O-CB 3.1Å; T704-A708 PolarHBondContact O-N 2.87Å; T704-F829 HydrophobicContact CG2-CE1 3.57Å; T704-F829 HydrophobicContact CG2-CZ 3.86Å
705E71.9Confident68.8Low95 Ų9584.7 Ų84.744%0.44441%0.412SS..Hα-helixtrans-57.7-45.3169.8-75.3165.7-16200111.6R701 R702 A709R701-E705 IonicContact CZ-OE1 3.16Å; R701-E705 VanDerWaalsContact CZ-OE1 3.23Å; R701-E705 IonicContact NE-OE1 2.7Å; R701-E705 PolarHBondContact NE-OE1 3.38Å; R701-E705 IonicContact NH2-OE1 2.75Å; R701-E705 PolarHBondContact NH2-OE1 3.06Å; R701-E705 WeakPolarHBondContact O-CB 3.47Å; R701-E705 WeakPolarHBondContact O-CG 3.47Å; R701-E705 PolarHBondContact O-N 2.68Å; R702-E705 PolarHBondContact O-N 3.44Å; E705-A709 WeakPolarHBondContact O-CB 3.5Å; E705-A709 PolarHBondContact O-N 3.2Å
706E70.4Confident69.2Low128 Ų12881.5 Ų81.560%0.59840%0.401SS*.Hα-helixtrans-65.2-46.3178.5-73.4169.1-173.900112.4R702 A708 A709 A710R702-E706 WeakPolarHBondContact O-CB 3.3Å; R702-E706 WeakPolarHBondContact O-CG 3.36Å; R702-E706 PolarHBondContact O-N 3.04Å; E706-A708 PolarHBondContact O-N 3.14Å; E706-A709 WeakPolarHBondContact O-CB 3.48Å; E706-A709 PolarHBondContact O-N 2.7Å; E706-A710 PolarHBondContact O-N 3.08Å; E706-A710 VanDerWaalsContact O-N 3.09Å
707A64.7Low69.7Low3 Ų375.8 Ų75.83%0.02538%0.375CS..Hα-helixtrans-60.8-43.6177.100000112K703 T704 A709 A710 N711 H763K703-A707 WeakPolarHBondContact O-CB 3.4Å; K703-A707 PolarHBondContact O-N 3.17Å; T704-A707 PolarHBondContact O-N 3.24Å; A707-A709 VanDerWaalsContact C-N 3.31Å; A707-A709 PolarHBondContact O-N 3.29Å; A707-A710 PolarHBondContact O-N 2.73Å; A707-N711 WeakPolarHBondContact O-CB 3.48Å; A707-N711 PolarHBondContact O-N 3.19Å; A707-N711 VanDerWaalsContact O-N 3.12Å; A707-H763 VanDerWaalsContact CA-NE2 3.34Å; A707-H763 WeakPolarHBondContact CA-NE2 3.45Å; A707-H763 VanDerWaalsContact CB-NE2 3.3Å; A707-H763 WeakPolarHBondContact CB-NE2 3.29Å
708A71.3Confident70.2Confident60 Ų6074 Ų7450%0.49636%0.36SS..Hα-helixtrans-62.8-36.6175.700000112.4T704 E706 K712T704-A708 WeakPolarHBondContact O-CB 3.1Å; T704-A708 PolarHBondContact O-N 2.87Å; E706-A708 PolarHBondContact O-N 3.14Å; A708-K712 WeakPolarHBondContact O-CB 3.07Å; A708-K712 PolarHBondContact O-N 3.38Å
709A73Confident71Confident42 Ų4275.4 Ų75.435%0.34736%0.364SS..Hα-helixtrans-67.3-42.417800000112.8E705 E706 A707 K712 R713E705-A709 WeakPolarHBondContact O-CB 3.5Å; E705-A709 PolarHBondContact O-N 3.2Å; E706-A709 WeakPolarHBondContact O-CB 3.48Å; E706-A709 PolarHBondContact O-N 2.7Å; A707-A709 VanDerWaalsContact C-N 3.31Å; A707-A709 PolarHBondContact O-N 3.29Å; A709-K712 PolarHBondContact O-N 2.9Å; A709-R713 WeakPolarHBondContact O-CG 3.28Å; A709-R713 PolarHBondContact O-N 3.41Å; A709-R713 VanDerWaalsContact O-N 3.1Å
710A67.6Low71.1Confident24 Ų2475.4 Ų75.420%0.19836%0.357CS..Hα-helixtrans-62.1-47.6174.800000111.3E706 A707 K712 R713 L714E706-A710 PolarHBondContact O-N 3.08Å; E706-A710 VanDerWaalsContact O-N 3.09Å; A707-A710 PolarHBondContact O-N 2.73Å; A710-K712 VanDerWaalsContact C-N 3.28Å; A710-K712 PolarHBondContact O-N 3.12Å; A710-R713 PolarHBondContact O-N 3.14Å; A710-R713 VanDerWaalsContact O-N 3.17Å; A710-L714 PolarHBondContact O-N 2.89Å
711N69Low71.3Confident28 Ų2873.8 Ų73.815%0.1535%0.348CS..Hα-helixtrans-58.7-38.7178-133-41.3000112.2A707 K715 D836 K840A707-N711 WeakPolarHBondContact O-CB 3.48Å; A707-N711 PolarHBondContact O-N 3.19Å; A707-N711 VanDerWaalsContact O-N 3.12Å; N711-K715 PolarHBondContact O-N 3.37Å; N711-D836 PolarHBondContact ND2-OD2 2.93Å; N711-K840 WeakPolarHBondContact OD1-CD 3.43Å; N711-K840 WeakPolarHBondContact OD1-CE 3.18Å; N711-K840 PolarHBondContact OD1-NZ 3.14Å
712K77Confident71.4Confident130 Ų13074.9 Ų74.957%0.56535%0.352SS*.Hα-helixtrans-66.4-45.5174.4-178.3175.7174.9-179.70112.6A708 A709 A710 L714 K715 D716A708-K712 WeakPolarHBondContact O-CB 3.07Å; A708-K712 PolarHBondContact O-N 3.38Å; A709-K712 PolarHBondContact O-N 2.9Å; A710-K712 VanDerWaalsContact C-N 3.28Å; A710-K712 PolarHBondContact O-N 3.12Å; K712-L714 VanDerWaalsContact C-N 3.34Å; K712-L714 PolarHBondContact O-N 3.27Å; K712-K715 WeakPolarHBondContact O-CB 3.04Å; K712-K715 PolarHBondContact O-N 2.87Å; K712-K715 VanDerWaalsContact O-N 3.14Å; K712-D716 WeakPolarHBondContact CE-OD2 2.99Å; K712-D716 WeakPolarHBondContact CG-OD2 3.21Å; K712-D716 PolarHBondContact O-N 3.42Å
713R73Confident71.5Confident145 Ų14570.7 Ų70.755%0.54734%0.339SS..Hα-helixtrans-58-45-179.3-71.8176.7-165.1158.96.9112.2A709 A710 K715 D716 A717A709-R713 WeakPolarHBondContact O-CG 3.28Å; A709-R713 PolarHBondContact O-N 3.41Å; A709-R713 VanDerWaalsContact O-N 3.1Å; A710-R713 PolarHBondContact O-N 3.14Å; A710-R713 VanDerWaalsContact O-N 3.17Å; R713-K715 VanDerWaalsContact C-N 3.33Å; R713-K715 PolarHBondContact O-N 2.9Å; R713-D716 PolarHBondContact O-N 3.22Å; R713-A717 WeakPolarHBondContact O-CB 3.42Å; R713-A717 PolarHBondContact O-N 2.83Å
714L75.6Confident71.5Confident4 Ų469 Ų692%0.02134%0.335CS..Hα-helixtrans-59.1-44.6176.3-179.663.9000111.5A710 K712 A717 L718 A760 K840A710-L714 PolarHBondContact O-N 2.89Å; K712-L714 VanDerWaalsContact C-N 3.34Å; K712-L714 PolarHBondContact O-N 3.27Å; L714-A717 PolarHBondContact O-N 3Å; L714-L718 HydrophobicContact CD1-CD1 4.06Å; L714-L718 HydrophobicContact CD1-CG 4.31Å; L714-L718 HydrophobicContact CG-CD1 3.96Å; L714-L718 WeakPolarHBondContact O-CB 2.92Å; L714-L718 VanDerWaalsContact O-CG 3.27Å; L714-L718 WeakPolarHBondContact O-CG 3.49Å; L714-L718 PolarHBondContact O-N 3.21Å; L714-A760 HydrophobicContact CD2-CB 3.84Å; L714-K840 HydrophobicContact CD2-CB 4.05Å
715K77.2Confident71.4Confident143 Ų14369.4 Ų69.462%0.62234%0.343SS*.Hα-helixtrans-62.8-47.5177.4-171.2-178.3-178.6-179.10112.2N711 K712 R713 A717 L718 Q719N711-K715 PolarHBondContact O-N 3.37Å; K712-K715 WeakPolarHBondContact O-CB 3.04Å; K712-K715 PolarHBondContact O-N 2.87Å; K712-K715 VanDerWaalsContact O-N 3.14Å; R713-K715 VanDerWaalsContact C-N 3.33Å; R713-K715 PolarHBondContact O-N 2.9Å; K715-A717 PolarHBondContact O-N 3.06Å; K715-L718 PolarHBondContact O-N 3.27Å; K715-Q719 PolarHBondContact O-N 3.3Å
716D76.2Confident71.1Confident69 Ų6968.7 Ų68.737%0.36934%0.342SS..Hα-helixtrans-64.3-39.8-179.5-67.5-6.2000110.9K712 R713 Q719 K720K712-D716 WeakPolarHBondContact CE-OD2 2.99Å; K712-D716 WeakPolarHBondContact CG-OD2 3.21Å; K712-D716 PolarHBondContact O-N 3.42Å; R713-D716 PolarHBondContact O-N 3.22Å; D716-Q719 PolarHBondContact O-N 2.77Å; D716-K720 WeakPolarHBondContact O-CG 3.15Å; D716-K720 PolarHBondContact O-N 2.72Å
717A72.1Confident70.8Confident3 Ų367.7 Ų67.73%0.02534%0.336CS..Hα-helixtrans-65.7-46.2175.300000112.6R713 L714 K715 Q719 K720 Q721 V753R713-A717 WeakPolarHBondContact O-CB 3.42Å; R713-A717 PolarHBondContact O-N 2.83Å; L714-A717 PolarHBondContact O-N 3Å; K715-A717 PolarHBondContact O-N 3.06Å; A717-Q719 VanDerWaalsContact C-N 3.27Å; A717-Q719 PolarHBondContact O-N 3.33Å; A717-K720 PolarHBondContact O-N 2.85Å; A717-Q721 PolarHBondContact O-N 2.99Å; A717-V753 HydrophobicContact CB-CG2 4.22Å
718L72.6Confident70.6Confident23 Ų2370.1 Ų70.112%0.1234%0.344CS..Hα-helixtrans-62.7-33175.5-72.3168.8000112.2L714 K715 R722 V753 A844L714-L718 HydrophobicContact CD1-CD1 4.06Å; L714-L718 HydrophobicContact CD1-CG 4.31Å; L714-L718 HydrophobicContact CG-CD1 3.96Å; L714-L718 WeakPolarHBondContact O-CB 2.92Å; L714-L718 VanDerWaalsContact O-CG 3.27Å; L714-L718 WeakPolarHBondContact O-CG 3.49Å; L714-L718 PolarHBondContact O-N 3.21Å; K715-L718 PolarHBondContact O-N 3.27Å; L718-R722 WeakPolarHBondContact O-CG 3.38Å; L718-R722 PolarHBondContact O-N 3.31Å; L718-V753 HydrophobicContact CD2-CG1 4.17Å; L718-A844 HydrophobicContact CD1-CB 4.35Å; L718-A844 HydrophobicContact CD2-CB 4.28Å
719Q77.3Confident70.1Confident105 Ų10574.3 Ų74.349%0.49135%0.351SS..Hα-helixtrans-68.4-50.7173.2-174.5-179.4-44.200111.7K715 D716 A717 Q721 R722 E723K715-Q719 PolarHBondContact O-N 3.3Å; D716-Q719 PolarHBondContact O-N 2.77Å; A717-Q719 VanDerWaalsContact C-N 3.27Å; A717-Q719 PolarHBondContact O-N 3.33Å; Q719-Q721 PolarHBondContact O-N 3.49Å; Q719-R722 PolarHBondContact O-N 3.23Å; Q719-R722 VanDerWaalsContact O-N 3.09Å; Q719-E723 PolarHBondContact NE2-OE1 2.77Å; Q719-E723 PolarHBondContact O-N 3.48Å; Q719-E723 VanDerWaalsContact O-N 3.08Å
720K71.9Confident69.2Low89 Ų8979.6 Ų79.639%0.38737%0.369SS..Hα-helixtrans-52.1-40.8175.5-71.8172.4-178.5-1800111.9D716 A717 E723 V724 E752D716-K720 WeakPolarHBondContact O-CG 3.15Å; D716-K720 PolarHBondContact O-N 2.72Å; A717-K720 PolarHBondContact O-N 2.85Å; K720-E723 PolarHBondContact O-N 3.3Å; K720-V724 WeakPolarHBondContact O-CB 3.32Å; K720-V724 VanDerWaalsContact O-CG2 3.31Å; K720-V724 WeakPolarHBondContact O-CG2 3.32Å; K720-V724 PolarHBondContact O-N 3.17Å; K720-E752 VanDerWaalsContact NZ-CD 3.28Å; K720-E752 IonicContact NZ-OE1 2.71Å; K720-E752 PolarHBondContact NZ-OE1 2.95Å; K720-E752 IonicContact NZ-OE2 2.62Å; K720-E752 PolarHBondContact NZ-OE2 3.38Å; K720-E752 VanDerWaalsContact NZ-OE2 3.12Å
721Q68.7Low68.5Low36 Ų3681.7 Ų81.717%0.16838%0.379CS..Hα-helixtrans-59.8-47.3178.9-165-17532.500111.7A717 Q719 V724 A725 E750 V753A717-Q721 PolarHBondContact O-N 2.99Å; Q719-Q721 PolarHBondContact O-N 3.49Å; Q721-V724 PolarHBondContact O-N 3.28Å; Q721-A725 WeakPolarHBondContact O-CB 3.38Å; Q721-A725 PolarHBondContact O-N 3.31Å; Q721-E750 VanDerWaalsContact NE2-CD 3.29Å; Q721-E750 PolarHBondContact NE2-OE1 3.16Å; Q721-E750 VanDerWaalsContact NE2-OE1 3.14Å; Q721-E750 PolarHBondContact NE2-OE2 3.08Å; Q721-V753 HydrophobicContact CB-CG2 3.96Å; Q721-V753 HydrophobicContact CG-CG2 4.21Å
722R70.7Confident67.8Low164 Ų16489 Ų8962%0.61941%0.412SS*.Hα-helixtrans-61-50.8177.6-67.5173.2-176.2-1720.9111.1L718 Q719 V724 A725 D726L718-R722 WeakPolarHBondContact O-CG 3.38Å; L718-R722 PolarHBondContact O-N 3.31Å; Q719-R722 PolarHBondContact O-N 3.23Å; Q719-R722 VanDerWaalsContact O-N 3.09Å; R722-V724 PolarHBondContact O-N 2.92Å; R722-A725 PolarHBondContact O-N 3.14Å; R722-A725 VanDerWaalsContact O-N 3.11Å; R722-D726 PolarHBondContact O-N 3Å
723E68.9Low66.6Low79 Ų7987.7 Ų87.737%0.36942%0.419SS..Hα-helixtrans-56.8-35.3178.3-69.3-176.7-14900113.3Q719 K720 K727Q719-E723 PolarHBondContact NE2-OE1 2.77Å; Q719-E723 PolarHBondContact O-N 3.48Å; Q719-E723 VanDerWaalsContact O-N 3.08Å; K720-E723 PolarHBondContact O-N 3.3Å; E723-K727 WeakPolarHBondContact O-CB 3.34Å; E723-K727 WeakPolarHBondContact O-CD 3.43Å; E723-K727 WeakPolarHBondContact O-CG 3.37Å; E723-K727 PolarHBondContact O-N 3.13Å; E723-K727 VanDerWaalsContact O-N 3.07Å; E723-K727 IonicContact OE2-NZ 2.91Å; E723-K727 PolarHBondContact OE2-NZ 2.7Å; E723-K727 VanDerWaalsContact OE2-NZ 3.07Å
724V66.3Low65.5Low40 Ų4091 Ų9124%0.24243%0.432CS..Hα-helixtrans-81.1-31.2179.91700000112.2K720 Q721 R722 R728K720-V724 WeakPolarHBondContact O-CB 3.32Å; K720-V724 VanDerWaalsContact O-CG2 3.31Å; K720-V724 WeakPolarHBondContact O-CG2 3.32Å; K720-V724 PolarHBondContact O-N 3.17Å; Q721-V724 PolarHBondContact O-N 3.28Å; R722-V724 PolarHBondContact O-N 2.92Å; V724-R728 PolarHBondContact O-N 3.18Å; V724-R728 VanDerWaalsContact O-N 3.12Å
725A65.1Low64.6Low48 Ų4893.7 Ų93.740%0.39746%0.461SS..Hα-helixtrans-65.9-38.8170.300000111.8Q721 R722 R728 K729Q721-A725 WeakPolarHBondContact O-CB 3.38Å; Q721-A725 PolarHBondContact O-N 3.31Å; R722-A725 PolarHBondContact O-N 3.14Å; R722-A725 VanDerWaalsContact O-N 3.11Å; A725-R728 WeakPolarHBondContact O-CB 2.83Å; A725-R728 PolarHBondContact O-N 2.81Å; A725-K729 PolarHBondContact O-N 2.62Å
726D64.8Low63.3Low80 Ų8095 Ų9543%0.42847%0.471SS..Hα-helixtrans-73.7-43.3177.2-68-39.1000112.3R722 R728 K729 E730R722-D726 PolarHBondContact O-N 3Å; D726-R728 PolarHBondContact O-N 2.87Å; D726-R728 VanDerWaalsContact O-N 3.13Å; D726-K729 WeakPolarHBondContact O-CB 3.45Å; D726-K729 PolarHBondContact O-N 3.21Å; D726-K729 WeakPolarHBondContact OD1-CE 3.35Å; D726-K729 IonicContact OD1-NZ 3.67Å; D726-K729 PolarHBondContact OD1-NZ 3.39Å; D726-E730 PolarHBondContact O-N 2.63Å
727K63.7Low62.1Low107 Ų107101.1 Ų101.147%0.46550%0.497SS..Hα-helixtrans-58.5-25.9171.5-71.4161.1-168159.40112.7E723 T731E723-K727 WeakPolarHBondContact O-CB 3.34Å; E723-K727 WeakPolarHBondContact O-CD 3.43Å; E723-K727 WeakPolarHBondContact O-CG 3.37Å; E723-K727 PolarHBondContact O-N 3.13Å; E723-K727 VanDerWaalsContact O-N 3.07Å; E723-K727 IonicContact OE2-NZ 2.91Å; E723-K727 PolarHBondContact OE2-NZ 2.7Å; E723-K727 VanDerWaalsContact OE2-NZ 3.07Å; K727-T731 WeakPolarHBondContact O-CG2 3.45Å; K727-T731 PolarHBondContact O-N 2.85Å; K727-T731 PolarHBondContact O-OG1 3.2Å
728R60.8Low61.7Low54 Ų54102.5 Ų102.520%0.20451%0.512CS..Hα-helixtrans-70-30.8171.9-97.7-175170.5-147.4-5.9113.2V724 A725 D726 W746 N856V724-R728 PolarHBondContact O-N 3.18Å; V724-R728 VanDerWaalsContact O-N 3.12Å; A725-R728 WeakPolarHBondContact O-CB 2.83Å; A725-R728 PolarHBondContact O-N 2.81Å; D726-R728 PolarHBondContact O-N 2.87Å; D726-R728 VanDerWaalsContact O-N 3.13Å; R728-W746 VanDerWaalsContact CZ-CG 3.48Å; R728-W746 VanDerWaalsContact NH2-CD2 3.34Å; R728-N856 PolarHBondContact NH1-OD1 3.19Å
729K60.6Low61.6Low147 Ų147102.3 Ų102.364%0.63951%0.512SS*.Hα-helixtrans-69.7-36.9177.9-62.4168.1-171.9163.90111.4A725 D726A725-K729 PolarHBondContact O-N 2.62Å; D726-K729 WeakPolarHBondContact O-CB 3.45Å; D726-K729 PolarHBondContact O-N 3.21Å; D726-K729 WeakPolarHBondContact OD1-CE 3.35Å; D726-K729 IonicContact OD1-NZ 3.67Å; D726-K729 PolarHBondContact OD1-NZ 3.39Å
730E54.1Low61.4Low154 Ų154100 Ų10072%0.7251%0.51SS*.Hα-helixtrans-74.4-26.3178.6-64.2-176.2116.300114.1D726D726-E730 PolarHBondContact O-N 2.63Å
731T54.1Low61.6Low68 Ų6898.5 Ų98.542%0.41752%0.515SS..THydrogen-bonded Turntrans-101.320.1-163.750.80000116.1K727 S733K727-T731 WeakPolarHBondContact O-CG2 3.45Å; K727-T731 PolarHBondContact O-N 2.85Å; K727-T731 PolarHBondContact O-OG1 3.2Å; T731-S733 PolarHBondContact O-N 2.88Å
732Q54.3Low62Low181 Ų181101 Ų10185%0.84652%0.523SS*.THydrogen-bonded Turntrans-65-6.4175-70.8-168.8-15.900114.8
733S50.3Low62.4Low102 Ų10293.3 Ų93.371%0.71349%0.494SS*.THydrogen-bonded Turntrans-104.17.9-16558.10000116.9T731T731-S733 PolarHBondContact O-N 2.88Å
734R50.9Low63Low216 Ų21694.3 Ų94.382%0.81550%0.497SS*.SBendtrans-140.2128.2-179.1-74-172.6172.8-179.7-1.8116.3R742R734-R742 PolarHBondContact O-NH2 3.29Å
735G56.2Low63.7Low60 Ų6097.4 Ų97.462%0.61951%0.512SS*.  trans76.2120.9138.100000118.7
736M50.3Low64.4Low169 Ų16996.4 Ų96.483%0.83350%0.498SS*.G310 helixtrans-71.7-30.7-179.2-142.9172.2-171.900113.6G738 T739M736-G738 VanDerWaalsContact C-N 3.29Å; M736-G738 PolarHBondContact O-N 3.36Å; M736-T739 PolarHBondContact O-OG1 3.47Å
737E50.5Low65.3Low198 Ų19893.5 Ų93.593%0.92548%0.483SS*.G310 helixtrans-74-13.5-178.9-66.9-176.111800114.2T739E737-T739 VanDerWaalsContact C-N 3.34Å; E737-T739 PolarHBondContact O-N 3.19Å
738G64.3Low66.1Low32 Ų3289.3 Ų89.333%0.3347%0.47SS..G310 helixtrans-77.4-14.8179.400000115M736 A740 A741 R742M736-G738 VanDerWaalsContact C-N 3.29Å; M736-G738 PolarHBondContact O-N 3.36Å; G738-A740 PolarHBondContact O-N 3.28Å; G738-A741 PolarHBondContact O-N 2.79Å; G738-R742 WeakPolarHBondContact O-CB 3.34Å; G738-R742 PolarHBondContact O-N 3.13Å
739T70.4Confident67Low20 Ų2088.8 Ų88.812%0.12347%0.472CS..Hα-helixtrans-60.7-46.4-164.1-50.80000113.4M736 E737 A741 R742 V743 E862M736-T739 PolarHBondContact O-OG1 3.47Å; E737-T739 VanDerWaalsContact C-N 3.34Å; E737-T739 PolarHBondContact O-N 3.19Å; T739-A741 PolarHBondContact O-N 3.31Å; T739-R742 PolarHBondContact O-N 3.06Å; T739-V743 HydrophobicContact CG2-CG2 4.46Å; T739-V743 WeakPolarHBondContact O-CG2 3.47Å; T739-V743 PolarHBondContact O-N 3.08Å; T739-E862 HydrophobicContact CG2-CG 3.54Å
740A73.7Confident67.9Low55 Ų5582.6 Ų82.646%0.45545%0.445SS..Hα-helixtrans-64.2-40.3-177.600000112.8G738 K744G738-A740 PolarHBondContact O-N 3.28Å; A740-K744 WeakPolarHBondContact O-CB 3.29Å; A740-K744 PolarHBondContact O-N 3.12Å
741A76.1Confident69.3Low59 Ų5977.7 Ų77.749%0.48842%0.423SS..Hα-helixtrans-71.3-39.1176.300000112G738 T739 K744 N745G738-A741 PolarHBondContact O-N 2.79Å; T739-A741 PolarHBondContact O-N 3.31Å; A741-K744 PolarHBondContact O-N 3.3Å; A741-N745 WeakPolarHBondContact O-CB 3.43Å; A741-N745 PolarHBondContact O-N 3.43Å; A741-N745 PolarHBondContact O-OD1 3.29Å
742R75.8Confident70.7Confident87 Ų8777.9 Ų77.933%0.32842%0.419SS..Hα-helixtrans-61.8-42.1175.8-170.5-172.3-61.9161.61112.1R734 G738 T739 W746R734-R742 PolarHBondContact O-NH2 3.29Å; G738-R742 WeakPolarHBondContact O-CB 3.34Å; G738-R742 PolarHBondContact O-N 3.13Å; T739-R742 PolarHBondContact O-N 3.06Å; R742-W746 WeakPolarHBondContact O-CB 3.42Å; R742-W746 PolarHBondContact O-N 3.44Å
743V79.8Confident72Confident4 Ų469.4 Ų69.42%0.02438%0.38CS..Hα-helixtrans-68.2-46.5174.7172.20000110.8T739 N745 W746 L747 E862 C865 A866T739-V743 HydrophobicContact CG2-CG2 4.46Å; T739-V743 WeakPolarHBondContact O-CG2 3.47Å; T739-V743 PolarHBondContact O-N 3.08Å; V743-N745 PolarHBondContact O-N 3.14Å; V743-W746 PolarHBondContact O-N 3.18Å; V743-L747 VanDerWaalsContact O-CB 3.25Å; V743-L747 WeakPolarHBondContact O-CB 3.29Å; V743-L747 PolarHBondContact O-N 3.31Å; V743-E862 HydrophobicContact CG2-CB 3.83Å; V743-E862 HydrophobicContact CG2-CG 3.72Å; V743-C865 HydrophobicContact CB-CB 4.35Å; V743-C865 HydrophobicContact CG1-CB 4.2Å; V743-A866 HydrophobicContact CG1-CB 3.83Å
744K81.6Confident73.5Confident100 Ų10068.2 Ų68.244%0.43536%0.364SS..Hα-helixtrans-55.8-52.4178.2-172.4-172.6179-171.20111.9A740 A741 L747 G748 Y869A740-K744 WeakPolarHBondContact O-CB 3.29Å; A740-K744 PolarHBondContact O-N 3.12Å; A741-K744 PolarHBondContact O-N 3.3Å; K744-L747 PolarHBondContact O-N 3.14Å; K744-G748 PolarHBondContact O-N 3.3Å; K744-Y869 HydrophobicContact CB-CD1 4.42Å; K744-Y869 HydrophobicContact CD-CD2 4.31Å; K744-Y869 HydrophobicContact CD-CE2 4.08Å; K744-Y869 HydrophobicContact CG-CD1 3.86Å; K744-Y869 HydrophobicContact CG-CD2 3.88Å; K744-Y869 HydrophobicContact CG-CE1 3.7Å; K744-Y869 HydrophobicContact CG-CE2 3.76Å; K744-Y869 HydrophobicContact CG-CG 3.97Å
745N80Confident75Confident104 Ų10461.3 Ų61.356%0.55635%0.346SS*.Hα-helixtrans-68-39.6-174.9-70.69.4000112.2A741 V743 N749A741-N745 WeakPolarHBondContact O-CB 3.43Å; A741-N745 PolarHBondContact O-N 3.43Å; A741-N745 PolarHBondContact O-OD1 3.29Å; V743-N745 PolarHBondContact O-N 3.14Å; N745-N749 PolarHBondContact O-N 3.05Å; N745-N749 VanDerWaalsContact O-N 3.14Å; N745-N749 PolarHBondContact O-ND2 3.45Å; N745-N749 PolarHBondContact O-OD1 3.26Å
746W81.2Confident76.2Confident27 Ų2759.1 Ų59.110%0.10232%0.32CS..Hα-helixtrans-62.5-48.3173.7165.669.1000111.7R728 R742 V743 G748 N749 E750 N856 I857R728-W746 VanDerWaalsContact CZ-CG 3.48Å; R728-W746 VanDerWaalsContact NH2-CD2 3.34Å; R742-W746 WeakPolarHBondContact O-CB 3.42Å; R742-W746 PolarHBondContact O-N 3.44Å; V743-W746 PolarHBondContact O-N 3.18Å; W746-G748 PolarHBondContact O-N 3.11Å; W746-N749 PolarHBondContact O-N 2.83Å; W746-E750 PolarHBondContact O-N 2.95Å; W746-N856 HydrophobicContact CH2-CB 4.02Å; W746-N856 HydrophobicContact CZ2-CB 3.66Å; W746-I857 HydrophobicContact CH2-CD1 4.38Å; W746-I857 HydrophobicContact CH2-CG1 4.04Å; W746-I857 HydrophobicContact CZ3-CD1 4.33Å; W746-I857 HydrophobicContact CZ3-CG1 4.06Å
747L82.4Confident77.7Confident19 Ų1951.6 Ų51.610%0.09928%0.284CS..Hα-helixtrans-69.1-34.8-175.9-168.354000112V743 K744 E750 I751 A866 Y869 L870V743-L747 VanDerWaalsContact O-CB 3.25Å; V743-L747 WeakPolarHBondContact O-CB 3.29Å; V743-L747 PolarHBondContact O-N 3.31Å; K744-L747 PolarHBondContact O-N 3.14Å; L747-E750 PolarHBondContact O-N 3.2Å; L747-I751 HydrophobicContact CG-CD1 4.31Å; L747-I751 WeakPolarHBondContact O-CB 3.27Å; L747-I751 WeakPolarHBondContact O-CD1 3.42Å; L747-I751 WeakPolarHBondContact O-CG1 3.36Å; L747-I751 PolarHBondContact O-N 3.01Å; L747-A866 HydrophobicContact CD2-CB 3.78Å; L747-Y869 HydrophobicContact CB-CD1 4.29Å; L747-Y869 HydrophobicContact CD2-CD1 4.25Å; L747-Y869 HydrophobicContact CG-CD1 4.42Å; L747-L870 HydrophobicContact CD1-CD2 4.37Å; L747-L870 HydrophobicContact CD2-CD1 4.17Å; L747-L870 HydrophobicContact CD2-CD2 3.82Å; L747-L870 HydrophobicContact CD2-CG 3.75Å; L747-L870 HydrophobicContact CG-CD2 4.08Å
748G81.4Confident79.3Confident20 Ų2046.7 Ų46.721%0.20626%0.261CS..Hα-helixtrans-61.2-45.2170.900000112.7K744 W746 I751 E752K744-G748 PolarHBondContact O-N 3.3Å; W746-G748 PolarHBondContact O-N 3.11Å; G748-I751 PolarHBondContact O-N 3.14Å; G748-E752 PolarHBondContact O-N 3.07Å
749N79.4Confident80.2Confident43 Ų4348.4 Ų48.423%0.2326%0.261CS..Hα-helixtrans-67.5-37.1177.4-64.2-5.7000112.3N745 W746 I751 E752 V753N745-N749 PolarHBondContact O-N 3.05Å; N745-N749 VanDerWaalsContact O-N 3.14Å; N745-N749 PolarHBondContact O-ND2 3.45Å; N745-N749 PolarHBondContact O-OD1 3.26Å; W746-N749 PolarHBondContact O-N 2.83Å; N749-I751 VanDerWaalsContact C-N 3.31Å; N749-I751 PolarHBondContact O-N 3.25Å; N749-E752 WeakPolarHBondContact O-CB 2.86Å; N749-E752 PolarHBondContact O-N 2.92Å; N749-V753 WeakPolarHBondContact O-CG2 3.28Å; N749-V753 PolarHBondContact O-N 2.91Å
750E79.8Confident80.7Confident16 Ų1647.7 Ų47.78%0.07526%0.257CS..Hα-helixtrans-66.7-34.8175.8-163.261.9-145.700111.4Q721 W746 L747 M754 R853Q721-E750 VanDerWaalsContact NE2-CD 3.29Å; Q721-E750 PolarHBondContact NE2-OE1 3.16Å; Q721-E750 VanDerWaalsContact NE2-OE1 3.14Å; Q721-E750 PolarHBondContact NE2-OE2 3.08Å; W746-E750 PolarHBondContact O-N 2.95Å; L747-E750 PolarHBondContact O-N 3.2Å; E750-M754 WeakPolarHBondContact O-CG 3.41Å; E750-M754 PolarHBondContact O-N 3.21Å; E750-R853 HydrophobicContact CG-CG 4.31Å; E750-R853 IonicContact OE1-CZ 3.61Å; E750-R853 IonicContact OE1-NE 2.73Å; E750-R853 PolarHBondContact OE1-NE 2.87Å; E750-R853 IonicContact OE1-NH2 2.71Å; E750-R853 PolarHBondContact OE1-NH2 3.11Å
751I83.6Confident81.1Confident51 Ų5147.6 Ų47.626%0.26225%0.246SC..Hα-helixtrans-67.2-43.3170.3-68162.6000111L747 G748 N749 V753 M754 V755 L870L747-I751 HydrophobicContact CG-CD1 4.31Å; L747-I751 WeakPolarHBondContact O-CB 3.27Å; L747-I751 WeakPolarHBondContact O-CD1 3.42Å; L747-I751 WeakPolarHBondContact O-CG1 3.36Å; L747-I751 PolarHBondContact O-N 3.01Å; G748-I751 PolarHBondContact O-N 3.14Å; N749-I751 VanDerWaalsContact C-N 3.31Å; N749-I751 PolarHBondContact O-N 3.25Å; I751-V753 VanDerWaalsContact C-N 3.29Å; I751-V753 PolarHBondContact O-N 3Å; I751-M754 HydrophobicContact CB-CE 4.47Å; I751-M754 HydrophobicContact CG1-CE 3.92Å; I751-M754 PolarHBondContact O-N 3.05Å; I751-V755 HydrophobicContact CG2-CG2 4.22Å; I751-V755 WeakPolarHBondContact O-CG2 3.49Å; I751-V755 PolarHBondContact O-N 3.38Å; I751-L870 HydrophobicContact CD1-CD2 3.89Å
752E82.5Confident81.5Confident73 Ų7351.1 Ų51.134%0.34125%0.247SC..Hα-helixtrans-56.8-42.4175.8-168.6-175.6166.800111.3K720 G748 N749 S756K720-E752 VanDerWaalsContact NZ-CD 3.28Å; K720-E752 IonicContact NZ-OE1 2.71Å; K720-E752 PolarHBondContact NZ-OE1 2.95Å; K720-E752 IonicContact NZ-OE2 2.62Å; K720-E752 PolarHBondContact NZ-OE2 3.38Å; K720-E752 VanDerWaalsContact NZ-OE2 3.12Å; G748-E752 PolarHBondContact O-N 3.07Å; N749-E752 WeakPolarHBondContact O-CB 2.86Å; N749-E752 PolarHBondContact O-N 2.92Å; E752-S756 VanDerWaalsContact O-CB 3.32Å; E752-S756 WeakPolarHBondContact O-CB 3.33Å; E752-S756 PolarHBondContact O-N 2.89Å; E752-S756 PolarHBondContact O-OG 3.37Å
753V81.6Confident81.8Confident3 Ų348.7 Ų48.72%0.01824%0.239CC..Hα-helixtrans-66.5-47174.7173.60000111.7A717 L718 Q721 N749 I751 V755 S756 T757A717-V753 HydrophobicContact CB-CG2 4.22Å; L718-V753 HydrophobicContact CD2-CG1 4.17Å; Q721-V753 HydrophobicContact CB-CG2 3.96Å; Q721-V753 HydrophobicContact CG-CG2 4.21Å; N749-V753 WeakPolarHBondContact O-CG2 3.28Å; N749-V753 PolarHBondContact O-N 2.91Å; I751-V753 VanDerWaalsContact C-N 3.29Å; I751-V753 PolarHBondContact O-N 3Å; V753-V755 PolarHBondContact O-N 3.29Å; V753-S756 PolarHBondContact O-N 2.76Å; V753-T757 PolarHBondContact O-N 3.21Å; V753-T757 PolarHBondContact O-OG1 3.36Å; V753-T757 VanDerWaalsContact O-OG1 3.05Å
754M81.3Confident82.1Confident77 Ų7749.5 Ų49.538%0.37924%0.243SC..Hα-helixtrans-60-43.2178.2-74.5-173.8-64.400112.6E750 I751 T757 E758 R853E750-M754 WeakPolarHBondContact O-CG 3.41Å; E750-M754 PolarHBondContact O-N 3.21Å; I751-M754 HydrophobicContact CB-CE 4.47Å; I751-M754 HydrophobicContact CG1-CE 3.92Å; I751-M754 PolarHBondContact O-N 3.05Å; M754-T757 PolarHBondContact O-N 3.04Å; M754-E758 PolarHBondContact O-N 2.98Å; M754-E758 VanDerWaalsContact O-N 3.1Å; M754-R853 VanDerWaalsContact CG-NH2 3.32Å; M754-R853 PolarHBondContact SD-NH1 3.07Å; M754-R853 VanDerWaalsContact SD-NH1 3.43Å
755V83.9Confident82.3Confident71 Ų7149.6 Ų49.643%0.4325%0.248SC..Hα-helixtrans-63.6-45.1175.6172.40000110.5I751 V753 T757 E758 E759I751-V755 HydrophobicContact CG2-CG2 4.22Å; I751-V755 WeakPolarHBondContact O-CG2 3.49Å; I751-V755 PolarHBondContact O-N 3.38Å; V753-V755 PolarHBondContact O-N 3.29Å; V755-T757 VanDerWaalsContact C-N 3.35Å; V755-T757 PolarHBondContact O-N 3.03Å; V755-E758 PolarHBondContact O-N 3.34Å; V755-E759 HydrophobicContact CG1-CG 4.35Å; V755-E759 WeakPolarHBondContact O-CB 3.49Å; V755-E759 WeakPolarHBondContact O-CG 3.45Å; V755-E759 PolarHBondContact O-N 3.31Å
756S80.9Confident82.5Confident13 Ų1348.8 Ų48.89%0.09124%0.244CC..Hα-helixtrans-62.1-39.1178.5-58.60000112.9E752 V753 A760E752-S756 VanDerWaalsContact O-CB 3.32Å; E752-S756 WeakPolarHBondContact O-CB 3.33Å; E752-S756 PolarHBondContact O-N 2.89Å; E752-S756 PolarHBondContact O-OG 3.37Å; V753-S756 PolarHBondContact O-N 2.76Å; S756-A760 WeakPolarHBondContact O-CB 3.47Å; S756-A760 PolarHBondContact O-N 2.99Å
757T82.1Confident82.5Confident11 Ų1147.7 Ų47.77%0.06724%0.24CC..Hα-helixtrans-64.9-43.7175.3-57.70000111.1V753 M754 V755 A760 K761 L841 A844 E845V753-T757 PolarHBondContact O-N 3.21Å; V753-T757 PolarHBondContact O-OG1 3.36Å; V753-T757 VanDerWaalsContact O-OG1 3.05Å; M754-T757 PolarHBondContact O-N 3.04Å; V755-T757 VanDerWaalsContact C-N 3.35Å; V755-T757 PolarHBondContact O-N 3.03Å; T757-A760 PolarHBondContact O-N 2.98Å; T757-K761 PolarHBondContact O-N 2.76Å; T757-L841 HydrophobicContact CG2-CD2 3.81Å; T757-L841 WeakPolarHBondContact O-CD2 3.32Å; T757-A844 HydrophobicContact CG2-CB 4.31Å; T757-E845 HydrophobicContact CG2-CG 3.9Å
758E83.8Confident82.7Confident95 Ų9550 Ų5044%0.44425%0.252SS..Hα-helixtrans-74.8-29.3-179-157.659.5-145.700112.7M754 V755 K761 R762M754-E758 PolarHBondContact O-N 2.98Å; M754-E758 VanDerWaalsContact O-N 3.1Å; V755-E758 PolarHBondContact O-N 3.34Å; E758-K761 WeakPolarHBondContact OE2-CD 3.35Å; E758-K761 IonicContact OE2-NZ 2.91Å; E758-K761 PolarHBondContact OE2-NZ 2.68Å; E758-R762 PolarHBondContact O-N 3.39Å; E758-R762 VanDerWaalsContact O-N 3.13Å
759E82.3Confident82.9Confident69 Ų6953.1 Ų53.132%0.32226%0.261SS..Hα-helixtrans-63.5-44166.1-76.1-174.1-179.100111.8V755 R762 H763V755-E759 HydrophobicContact CG1-CG 4.35Å; V755-E759 WeakPolarHBondContact O-CB 3.49Å; V755-E759 WeakPolarHBondContact O-CG 3.45Å; V755-E759 PolarHBondContact O-N 3.31Å; E759-R762 WeakPolarHBondContact O-CB 3.47Å; E759-R762 PolarHBondContact O-N 3.39Å; E759-H763 PolarHBondContact O-N 3.05Å
760A80.7Confident83Confident4 Ų452.9 Ų52.93%0.03326%0.26CS..Hα-helixtrans-65.4-37.9177.300000112.7L714 S756 T757 H763 L764 L837 L841L714-A760 HydrophobicContact CD2-CB 3.84Å; S756-A760 WeakPolarHBondContact O-CB 3.47Å; S756-A760 PolarHBondContact O-N 2.99Å; T757-A760 PolarHBondContact O-N 2.98Å; A760-H763 PolarHBondContact O-N 3.29Å; A760-L764 WeakPolarHBondContact O-CB 3.44Å; A760-L764 PolarHBondContact O-N 3.34Å; A760-L837 HydrophobicContact CB-CD1 4.04Å; A760-L841 HydrophobicContact CB-CD2 3.79Å; A760-L841 HydrophobicContact CB-CG 4.35Å
761K83.9Confident83.3Confident53 Ų5357.3 Ų57.323%0.2328%0.276CS..Hα-helixtrans-62.2-42.6171.1-72.4179.9-166.5160.90112.8T757 E758 H763 L764 N765 L841 E845T757-K761 PolarHBondContact O-N 2.76Å; E758-K761 WeakPolarHBondContact OE2-CD 3.35Å; E758-K761 IonicContact OE2-NZ 2.91Å; E758-K761 PolarHBondContact OE2-NZ 2.68Å; K761-H763 VanDerWaalsContact C-N 3.34Å; K761-L764 WeakPolarHBondContact O-CB 3.5Å; K761-L764 PolarHBondContact O-N 2.89Å; K761-N765 PolarHBondContact O-N 2.86Å; K761-N765 VanDerWaalsContact O-N 3.07Å; K761-N765 PolarHBondContact O-ND2 3.15Å; K761-L841 HydrophobicContact CG-CD1 4.06Å; K761-L841 HydrophobicContact CG-CD2 3.86Å; K761-E845 WeakPolarHBondContact CE-OE1 3.39Å; K761-E845 WeakPolarHBondContact CE-OE2 3.45Å; K761-E845 IonicContact NZ-OE1 2.7Å; K761-E845 PolarHBondContact NZ-OE1 3.26Å; K761-E845 IonicContact NZ-OE2 2.95Å
762R84.4Confident83.5Confident134 Ų13459.7 Ų59.751%0.50628%0.284SS..Hα-helixtrans-60-48.2176.2-167.7-177.5-50.5106.815.1110.3E758 E759 L764 N765 D766E758-R762 PolarHBondContact O-N 3.39Å; E758-R762 VanDerWaalsContact O-N 3.13Å; E759-R762 WeakPolarHBondContact O-CB 3.47Å; E759-R762 PolarHBondContact O-N 3.39Å; R762-L764 VanDerWaalsContact C-N 3.3Å; R762-L764 PolarHBondContact O-N 3.29Å; R762-N765 WeakPolarHBondContact O-CB 3.33Å; R762-N765 PolarHBondContact O-N 3.16Å; R762-D766 VanDerWaalsContact O-CG 3.24Å; R762-D766 PolarHBondContact O-N 3.38Å
763H82.1Confident83.7Confident36 Ų3659.6 Ų59.617%0.16729%0.286CS..Hα-helixtrans-64-33.3178.3-167.451.6000113.4A707 E759 A760 K761 D766 L767 L837A707-H763 VanDerWaalsContact CA-NE2 3.34Å; A707-H763 WeakPolarHBondContact CA-NE2 3.45Å; A707-H763 VanDerWaalsContact CB-NE2 3.3Å; A707-H763 WeakPolarHBondContact CB-NE2 3.29Å; E759-H763 PolarHBondContact O-N 3.05Å; A760-H763 PolarHBondContact O-N 3.29Å; K761-H763 VanDerWaalsContact C-N 3.34Å; H763-D766 WeakPolarHBondContact CA-OD2 3.39Å; H763-D766 PolarHBondContact O-N 3.31Å; H763-L767 WeakPolarHBondContact O-CG 3.48Å; H763-L767 PolarHBondContact O-N 3.16Å; H763-L837 HydrophobicContact CB-CD2 4.36Å
764L85.4Confident83.7Confident20 Ų2060.6 Ų60.611%0.10529%0.291CS..Hα-helixtrans-61.6-43170.7176.662.5000111.8A760 K761 R762 L767 L768 I834 L837 Q838 L841A760-L764 WeakPolarHBondContact O-CB 3.44Å; A760-L764 PolarHBondContact O-N 3.34Å; K761-L764 WeakPolarHBondContact O-CB 3.5Å; K761-L764 PolarHBondContact O-N 2.89Å; R762-L764 VanDerWaalsContact C-N 3.3Å; R762-L764 PolarHBondContact O-N 3.29Å; L764-L767 PolarHBondContact O-N 3.48Å; L764-L768 HydrophobicContact CD1-CD1 4.37Å; L764-L768 HydrophobicContact CG-CD1 4.15Å; L764-L768 VanDerWaalsContact O-CG 3.29Å; L764-L768 WeakPolarHBondContact O-CG 3.39Å; L764-L768 PolarHBondContact O-N 3.17Å; L764-I834 HydrophobicContact CD1-CB 4.31Å; L764-I834 HydrophobicContact CD1-CG1 4.27Å; L764-I834 HydrophobicContact CD1-CG2 3.97Å; L764-L837 HydrophobicContact CB-CD2 3.87Å; L764-L837 HydrophobicContact CB-CG 4.4Å; L764-Q838 HydrophobicContact CD1-CG 3.74Å; L764-Q838 HydrophobicContact CD2-CG 3.6Å; L764-Q838 HydrophobicContact CG-CG 4.34Å; L764-L841 HydrophobicContact CB-CD1 4.31Å; L764-L841 HydrophobicContact CD2-CD1 3.81Å
765N86.3Confident83.9Confident103 Ų10359 Ų5955%0.55129%0.29SS*.Hα-helixtrans-66.3-39.7175.4-66.4-30.3000111.9K761 R762 L767 L768 E769K761-N765 PolarHBondContact O-N 2.86Å; K761-N765 VanDerWaalsContact O-N 3.07Å; K761-N765 PolarHBondContact O-ND2 3.15Å; R762-N765 WeakPolarHBondContact O-CB 3.33Å; R762-N765 PolarHBondContact O-N 3.16Å; N765-L767 PolarHBondContact O-N 3.44Å; N765-L768 PolarHBondContact O-N 2.63Å; N765-E769 PolarHBondContact O-N 3.09Å
766D82.8Confident84.1Confident87 Ų8760.6 Ų60.647%0.46529%0.293SS..Hα-helixtrans-59.9-44.6175.1-58.1-35.5000111R762 H763 E769 D770R762-D766 VanDerWaalsContact O-CG 3.24Å; R762-D766 PolarHBondContact O-N 3.38Å; H763-D766 WeakPolarHBondContact CA-OD2 3.39Å; H763-D766 PolarHBondContact O-N 3.31Å; D766-E769 PolarHBondContact O-N 3.19Å; D766-D770 WeakPolarHBondContact O-CB 3.45Å; D766-D770 PolarHBondContact O-N 3.07Å
767L82.7Confident84.1Confident4 Ų463 Ų632%0.02131%0.305CS..Hα-helixtrans-66.1-35.1176.3-71.8170.3000113H763 L764 N765 R771 Q833 I834 L837H763-L767 WeakPolarHBondContact O-CG 3.48Å; H763-L767 PolarHBondContact O-N 3.16Å; L764-L767 PolarHBondContact O-N 3.48Å; N765-L767 PolarHBondContact O-N 3.44Å; L767-R771 WeakPolarHBondContact O-CB 3.36Å; L767-R771 PolarHBondContact O-N 2.94Å; L767-Q833 HydrophobicContact CD1-CB 4.14Å; L767-I834 HydrophobicContact CB-CD1 4.3Å; L767-I834 HydrophobicContact CB-CG1 3.81Å; L767-L837 HydrophobicContact CD1-CD2 4.08Å
768L85.5Confident84.2Confident66 Ų6662.9 Ų62.935%0.34630%0.304SS..Hα-helixtrans-67.4-37.9175.5-75.6165.4000112L764 N765 K772 I834L764-L768 HydrophobicContact CD1-CD1 4.37Å; L764-L768 HydrophobicContact CG-CD1 4.15Å; L764-L768 VanDerWaalsContact O-CG 3.29Å; L764-L768 WeakPolarHBondContact O-CG 3.39Å; L764-L768 PolarHBondContact O-N 3.17Å; N765-L768 PolarHBondContact O-N 2.63Å; L768-K772 WeakPolarHBondContact O-CB 3.34Å; L768-K772 PolarHBondContact O-N 2.95Å; L768-K772 VanDerWaalsContact O-N 3.09Å; L768-I834 HydrophobicContact CD2-CD1 3.93Å; L768-I834 HydrophobicContact CD2-CG1 4.44Å; L768-I834 HydrophobicContact CD2-CG2 4.24Å; L768-I834 HydrophobicContact CG-CD1 4.31Å
769E85.6Confident84.3Confident86 Ų8661 Ų6140%0.40230%0.304SS..Hα-helixtrans-73.9-41.2175.5-171.860-152.600111.8N765 D766 R771 K772 I773N765-E769 PolarHBondContact O-N 3.09Å; D766-E769 PolarHBondContact O-N 3.19Å; E769-R771 VanDerWaalsContact C-N 3.31Å; E769-R771 PolarHBondContact O-N 3Å; E769-K772 WeakPolarHBondContact O-CB 3.5Å; E769-K772 PolarHBondContact O-N 3.28Å; E769-K772 VanDerWaalsContact O-N 3.08Å; E769-K772 IonicContact OE1-NZ 2.88Å; E769-K772 PolarHBondContact OE1-NZ 3.32Å; E769-K772 IonicContact OE2-NZ 2.61Å; E769-K772 PolarHBondContact OE2-NZ 3.43Å; E769-I773 HydrophobicContact CG-CD1 4.39Å; E769-I773 WeakPolarHBondContact O-CG1 3.48Å; E769-I773 PolarHBondContact O-N 2.69Å
770D81.2Confident84.3Confident39 Ų3961.5 Ų61.521%0.20931%0.307CS..Hα-helixtrans-54.4-46.3170.4-104.31.2000111.2K703 D766 K772 I773 L774K703-D770 IonicContact NZ-OD1 2.76Å; K703-D770 PolarHBondContact NZ-OD1 3.08Å; K703-D770 IonicContact NZ-OD2 2.61Å; K703-D770 PolarHBondContact NZ-OD2 3.36Å; D766-D770 WeakPolarHBondContact O-CB 3.45Å; D766-D770 PolarHBondContact O-N 3.07Å; D770-K772 VanDerWaalsContact C-N 3.32Å; D770-K772 PolarHBondContact O-N 3.01Å; D770-I773 PolarHBondContact O-N 2.88Å; D770-L774 WeakPolarHBondContact O-CG 3.35Å; D770-L774 PolarHBondContact O-N 3.27Å
771R86.5Confident84.2Confident109 Ų10962.9 Ų62.941%0.41131%0.314SS..Hα-helixtrans-61.8-38.2176.1-175.4-174.9-179.5-150.61.9112.1L767 E769 A775 M827 S831 I834L767-R771 WeakPolarHBondContact O-CB 3.36Å; L767-R771 PolarHBondContact O-N 2.94Å; E769-R771 VanDerWaalsContact C-N 3.31Å; E769-R771 PolarHBondContact O-N 3Å; R771-A775 WeakPolarHBondContact O-CB 3.49Å; R771-A775 PolarHBondContact O-N 2.8Å; R771-M827 HydrophobicContact CG-CG 4.1Å; R771-S831 PolarHBondContact NE-OG 3Å; R771-I834 HydrophobicContact CB-CD1 4.2Å
772K88.9Confident84.1Confident100 Ų10064 Ų6444%0.43532%0.318SS..Hα-helixtrans-68.3-38177.8163.8165.4157.4-85.60112.3L768 E769 D770 Q776L768-K772 WeakPolarHBondContact O-CB 3.34Å; L768-K772 PolarHBondContact O-N 2.95Å; L768-K772 VanDerWaalsContact O-N 3.09Å; E769-K772 WeakPolarHBondContact O-CB 3.5Å; E769-K772 PolarHBondContact O-N 3.28Å; E769-K772 VanDerWaalsContact O-N 3.08Å; E769-K772 IonicContact OE1-NZ 2.88Å; E769-K772 PolarHBondContact OE1-NZ 3.32Å; E769-K772 IonicContact OE2-NZ 2.61Å; E769-K772 PolarHBondContact OE2-NZ 3.43Å; D770-K772 VanDerWaalsContact C-N 3.32Å; D770-K772 PolarHBondContact O-N 3.01Å; K772-Q776 WeakPolarHBondContact O-CG 3.3Å; K772-Q776 PolarHBondContact O-N 3.41Å; K772-Q776 VanDerWaalsContact O-N 3.16Å
773I85.6Confident83.9Confident71 Ų7163.8 Ų63.836%0.36432%0.323SS..Hα-helixtrans-65.5-48.8173.2-65.2164.5000110.2E769 D770 A775 Q776 D777E769-I773 HydrophobicContact CG-CD1 4.39Å; E769-I773 WeakPolarHBondContact O-CG1 3.48Å; E769-I773 PolarHBondContact O-N 2.69Å; D770-I773 PolarHBondContact O-N 2.88Å; I773-A775 VanDerWaalsContact C-N 3.29Å; I773-A775 PolarHBondContact O-N 3.13Å; I773-Q776 WeakPolarHBondContact O-CA 3.46Å; I773-Q776 WeakPolarHBondContact O-CB 3.41Å; I773-Q776 PolarHBondContact O-N 2.95Å; I773-D777 PolarHBondContact O-N 3.43Å
774L82.6Confident83.5Confident25 Ų2567.6 Ų67.613%0.13134%0.339CS..Hα-helixtrans-56.9-41.4176.9-70.9167.7000112.3D770 Q776 D777 V778 L823 E826 M827 R830D770-L774 WeakPolarHBondContact O-CG 3.35Å; D770-L774 PolarHBondContact O-N 3.27Å; L774-Q776 VanDerWaalsContact C-N 3.32Å; L774-Q776 PolarHBondContact O-N 3Å; L774-D777 PolarHBondContact O-N 3.39Å; L774-V778 WeakPolarHBondContact O-CB 3.3Å; L774-V778 WeakPolarHBondContact O-CG2 3.47Å; L774-V778 PolarHBondContact O-N 2.85Å; L774-L823 HydrophobicContact CD2-CD2 3.81Å; L774-E826 HydrophobicContact CD1-CG 3.82Å; L774-E826 HydrophobicContact CD2-CG 4.35Å; L774-M827 HydrophobicContact CB-CB 4.49Å; L774-R830 HydrophobicContact CD1-CG 4.01Å
775A85.7Confident82.9Confident44 Ų4471.8 Ų71.836%0.36436%0.357SS..Hα-helixtrans-64-34.5175.300000113R771 I773 A779 M827R771-A775 WeakPolarHBondContact O-CB 3.49Å; R771-A775 PolarHBondContact O-N 2.8Å; I773-A775 VanDerWaalsContact C-N 3.29Å; I773-A775 PolarHBondContact O-N 3.13Å; A775-A779 WeakPolarHBondContact O-CB 3.46Å; A775-A779 PolarHBondContact O-N 3.48Å; A775-A779 VanDerWaalsContact O-N 3.07Å; A775-M827 HydrophobicContact CB-SD 4.08Å
776Q87Confident82Confident103 Ų10374.8 Ų74.848%0.48137%0.367SS..Hα-helixtrans-72-38174.7-72.7177-13.400112.5K772 I773 L774 A779 Q780K772-Q776 WeakPolarHBondContact O-CG 3.3Å; K772-Q776 PolarHBondContact O-N 3.41Å; K772-Q776 VanDerWaalsContact O-N 3.16Å; I773-Q776 WeakPolarHBondContact O-CA 3.46Å; I773-Q776 WeakPolarHBondContact O-CB 3.41Å; I773-Q776 PolarHBondContact O-N 2.95Å; L774-Q776 VanDerWaalsContact C-N 3.32Å; L774-Q776 PolarHBondContact O-N 3Å; Q776-A779 PolarHBondContact O-N 2.71Å; Q776-Q780 WeakPolarHBondContact O-CG 3.44Å; Q776-Q780 PolarHBondContact O-N 3.32Å; Q776-Q780 PolarHBondContact O-NE2 2.97Å
777D82.1Confident81.1Confident65 Ų6573.7 Ų73.735%0.34837%0.366SS..Hα-helixtrans-69.4-41.4176.6-72.8-22.5000111.6I773 L774 A779 Q780 L781I773-D777 PolarHBondContact O-N 3.43Å; L774-D777 PolarHBondContact O-N 3.39Å; D777-A779 VanDerWaalsContact C-N 3.34Å; D777-A779 PolarHBondContact O-N 3.02Å; D777-Q780 PolarHBondContact O-N 3.38Å; D777-L781 WeakPolarHBondContact O-CB 3.44Å; D777-L781 WeakPolarHBondContact O-CG 3.5Å; D777-L781 PolarHBondContact O-N 3.15Å
778V84.1Confident79.9Confident8 Ų876.1 Ų76.15%0.04839%0.392CS..Hα-helixtrans-60.7-42.2172.1169.90000111.1L774 L781 K782 I820 L823 E824L774-V778 WeakPolarHBondContact O-CB 3.3Å; L774-V778 WeakPolarHBondContact O-CG2 3.47Å; L774-V778 PolarHBondContact O-N 2.85Å; V778-L781 PolarHBondContact O-N 3.29Å; V778-K782 HydrophobicContact CG1-CD 4.08Å; V778-K782 WeakPolarHBondContact O-CG 3.45Å; V778-K782 PolarHBondContact O-N 2.9Å; V778-I820 HydrophobicContact CG1-CG2 4.5Å; V778-L823 HydrophobicContact CG2-CB 3.53Å; V778-L823 HydrophobicContact CG2-CD1 4.39Å; V778-E824 HydrophobicContact CG1-CG 4.06Å; V778-E824 HydrophobicContact CG2-CG 4.2Å
779A84.8Confident77.9Confident55 Ų5581.3 Ų81.346%0.45542%0.415SS..Hα-helixtrans-62.1-4817600000111.8A775 Q776 D777 L781 K782 E783A775-A779 WeakPolarHBondContact O-CB 3.46Å; A775-A779 PolarHBondContact O-N 3.48Å; A775-A779 VanDerWaalsContact O-N 3.07Å; Q776-A779 PolarHBondContact O-N 2.71Å; D777-A779 VanDerWaalsContact C-N 3.34Å; D777-A779 PolarHBondContact O-N 3.02Å; A779-L781 VanDerWaalsContact C-N 3.31Å; A779-L781 PolarHBondContact O-N 3.43Å; A779-K782 PolarHBondContact O-N 3.34Å; A779-E783 WeakPolarHBondContact O-CB 3.27Å; A779-E783 PolarHBondContact O-N 2.78Å
780Q82.4Confident75.8Confident80 Ų8084.2 Ų84.237%0.37443%0.433SS..Hα-helixtrans-62.2-34.2177-75.2174.363.600113.4Q776 D777 K784Q776-Q780 WeakPolarHBondContact O-CG 3.44Å; Q776-Q780 PolarHBondContact O-N 3.32Å; Q776-Q780 PolarHBondContact O-NE2 2.97Å; D777-Q780 PolarHBondContact O-N 3.38Å; Q780-K784 WeakPolarHBondContact O-CB 3.13Å; Q780-K784 WeakPolarHBondContact O-CD 3.43Å; Q780-K784 WeakPolarHBondContact O-CG 3.26Å; Q780-K784 PolarHBondContact O-N 3.13Å
781L79.3Confident73.7Confident33 Ų3387.6 Ų87.617%0.17346%0.457CS..Hα-helixtrans-75.4-33.5177.8-73.9168.8000112.2D777 V778 A779 K785 I820 L823D777-L781 WeakPolarHBondContact O-CB 3.44Å; D777-L781 WeakPolarHBondContact O-CG 3.5Å; D777-L781 PolarHBondContact O-N 3.15Å; V778-L781 PolarHBondContact O-N 3.29Å; A779-L781 VanDerWaalsContact C-N 3.31Å; A779-L781 PolarHBondContact O-N 3.43Å; L781-K785 PolarHBondContact O-N 3.49Å; L781-I820 HydrophobicContact CB-CD1 4.27Å; L781-I820 HydrophobicContact CB-CG1 3.82Å; L781-L823 HydrophobicContact CD1-CD1 3.42Å; L781-L823 VanDerWaalsContact CD1-CD1 3.42Å
782K80.6Confident71.4Confident77 Ų7787.8 Ų87.834%0.33547%0.473SS..Hα-helixtrans-67.6-45.2170-72.3176.3179.9-178.50111.3V778 A779 K784 K785 E786 I820 E824V778-K782 HydrophobicContact CG1-CD 4.08Å; V778-K782 WeakPolarHBondContact O-CG 3.45Å; V778-K782 PolarHBondContact O-N 2.9Å; A779-K782 PolarHBondContact O-N 3.34Å; K782-K784 VanDerWaalsContact C-N 3.34Å; K782-K784 PolarHBondContact O-N 3.04Å; K782-K785 CarbonylContact O-C 3.6Å; K782-K785 WeakPolarHBondContact O-CA 3.41Å; K782-K785 WeakPolarHBondContact O-CB 3.36Å; K782-K785 PolarHBondContact O-N 3.37Å; K782-E786 WeakPolarHBondContact O-CG 3.49Å; K782-E786 PolarHBondContact O-N 3.26Å; K782-I820 HydrophobicContact CG-CD1 3.94Å; K782-I820 HydrophobicContact CG-CG2 4.45Å; K782-E824 WeakPolarHBondContact CE-OE1 3.36Å; K782-E824 IonicContact NZ-OE1 3.17Å; K782-E824 PolarHBondContact NZ-OE1 3.41Å
783E80.9Confident69.3Low129 Ų12989.3 Ų89.360%0.60349%0.493SS*.Hα-helixtrans-57.6-43.1173.8-174.6176.4-150.900112A779 K785 E786 S787A779-E783 WeakPolarHBondContact O-CB 3.27Å; A779-E783 PolarHBondContact O-N 2.78Å; E783-K785 VanDerWaalsContact C-N 3.32Å; E783-K785 PolarHBondContact O-N 2.93Å; E783-E786 PolarHBondContact O-N 3.1Å; E783-S787 WeakPolarHBondContact O-CB 3.43Å; E783-S787 PolarHBondContact O-N 2.98Å; E783-S787 PolarHBondContact O-OG 3.36Å
784K72.8Confident67.2Low116 Ų11695.3 Ų95.350%0.50452%0.516SS..Hα-helixtrans-67.4-27174.1-74162.7-171155.70114Q780 K782Q780-K784 WeakPolarHBondContact O-CB 3.13Å; Q780-K784 WeakPolarHBondContact O-CD 3.43Å; Q780-K784 WeakPolarHBondContact O-CG 3.26Å; Q780-K784 PolarHBondContact O-N 3.13Å; K782-K784 VanDerWaalsContact C-N 3.34Å; K782-K784 PolarHBondContact O-N 3.04Å
785K72.8Confident64.9Low108 Ų108102.8 Ų102.847%0.4756%0.555SS.*Hα-helixtrans-74.6-34.4171.9-170.9-174.3176.1-1730111.3L781 K782 E783 I816 T817 I820L781-K785 PolarHBondContact O-N 3.49Å; K782-K785 CarbonylContact O-C 3.6Å; K782-K785 WeakPolarHBondContact O-CA 3.41Å; K782-K785 WeakPolarHBondContact O-CB 3.36Å; K782-K785 PolarHBondContact O-N 3.37Å; E783-K785 VanDerWaalsContact C-N 3.32Å; E783-K785 PolarHBondContact O-N 2.93Å; K785-I816 HydrophobicContact CB-CG2 4.29Å; K785-T817 HydrophobicContact CD-CG2 4.47Å; K785-T817 VanDerWaalsContact NZ-CG2 3.34Å; K785-I820 HydrophobicContact CD-CD1 4.45Å
786E69.1Low62.6Low166 Ų166110.1 Ų110.178%0.77657%0.574SS**Hα-helixtrans-84.6-28.3-178.1-71.1171.8-165.600113.4K782 E783K782-E786 WeakPolarHBondContact O-CG 3.49Å; K782-E786 PolarHBondContact O-N 3.26Å; E783-E786 PolarHBondContact O-N 3.1Å
787S62.5Low60.1Low64 Ų64117.4 Ų117.445%0.44860%0.597SS.*Hα-helixtrans-79.1-25-176.8730000114.9E783 E789E783-S787 WeakPolarHBondContact O-CB 3.43Å; E783-S787 PolarHBondContact O-N 2.98Å; E783-S787 PolarHBondContact O-OG 3.36Å; S787-E789 PolarHBondContact O-N 3.24Å; S787-E789 VanDerWaalsContact O-N 3.15Å
788G58Low58.1Low55 Ų55125.5 Ų125.557%0.56762%0.623SS**  trans64.813.7177.200000115.8N790G788-N790 PolarHBondContact O-N 3.19Å
789E43.2Very low55.8Low174 Ų174131.5 Ų131.581%0.81366%0.659SS**  trans-69.893.1-173.5-72.2-158.6129.500113.2S787S787-E789 PolarHBondContact O-N 3.24Å; S787-E789 VanDerWaalsContact O-N 3.15Å
790N42.1Very low53.5Low147 Ų147135.5 Ų135.579%0.78667%0.666SS**PPolyproline II helixtrans-67.9134.2159-80.9-94.7000109.7G788G788-N790 PolarHBondContact O-N 3.19Å
791P37.2Very low51.4Low111 Ų111134.3 Ų134.372%0.72167%0.667SS**PPolyproline II helixtrans-61.6146.9174.126-33.8000111.2
792P37.9Very low49.2Very low113 Ų113140.6 Ų140.673%0.73470%0.7SS**PPolyproline II helixtrans-67.1131.4-163.624.2-34.7000113K794P792-K794 PolarHBondContact O-N 3.01Å
793P45.5Very low47.3Very low132 Ų132142.6 Ų142.686%0.85772%0.719SS**  trans-76.1110.8-17529.6-34.6000111.7
794K40.2Very low45.5Very low196 Ų196141.4 Ų141.485%0.85271%0.713SS**  trans-119.3126.5163.2-71.7-172.4177.1179.20110.7P792P792-K794 PolarHBondContact O-N 3.01Å
795L35.3Very low44.2Very low183 Ų183139.7 Ų139.796%0.95871%0.712SS**  trans64.572.2172.5-59.2174.1000117.3
796R36.3Very low42.4Very low198 Ų198144.9 Ų144.975%0.74773%0.729SS**  trans-125.2107153-132.2-176.6-176.1-1680.2109.5
797R34.8Very low41.3Very low256 Ų256139.1 Ų139.197%0.96671%0.714SS**  trans-93.994.1165.5-92.9-164.8177.7-162.71.8110.1
798R41.3Very low40.5Very low235 Ų235142.4 Ų142.489%0.88772%0.722SS**  trans19.5112.8155-62.6179.3177.5174.6-2.1118.8
799T34Very low39.8Very low133 Ų133143.3 Ų143.382%0.81672%0.717SS**  trans-159.673.61319.50000109
800F36.5Very low40Very low139 Ų139138.6 Ų138.661%0.6170%0.703SS**SBendtrans-142.9145.5170.3-80.7-75.4000108.6
801S39.6Very low40.5Very low56 Ų56138.5 Ų138.539%0.39270%0.698SS.*  trans-79.8154.3-178.573.10000111.4T803 E804S801-T803 PolarHBondContact O-N 3.02Å; S801-E804 WeakPolarHBondContact CB-OE2 3.35Å; S801-E804 PolarHBondContact N-OE2 3.14Å; S801-E804 PolarHBondContact O-N 2.86Å; S801-E804 WeakPolarHBondContact OG-CG 3.49Å; S801-E804 PolarHBondContact OG-OE2 3.43Å
802L33.3Very low41.2Very low165 Ų165136.1 Ų136.186%0.86468%0.683SS**Hα-helixtrans-65.6-21.5-177.1-151.673.7000112.7
803T40.3Very low42.1Very low119 Ų119136 Ų13673%0.7367%0.673SS**Hα-helixtrans-73.1-37.5-178.4-27.80000112.6S801 V805 R806S801-T803 PolarHBondContact O-N 3.02Å; T803-V805 PolarHBondContact O-N 3.22Å; T803-R806 PolarHBondContact O-N 3.07Å
804E43.9Very low42.7Very low103 Ų103133.6 Ų133.648%0.48165%0.653SS.*Hα-helixtrans-69-32.7-174.3-69162.9102.900112.6S801 R806 G807S801-E804 WeakPolarHBondContact CB-OE2 3.35Å; S801-E804 PolarHBondContact N-OE2 3.14Å; S801-E804 PolarHBondContact O-N 2.86Å; S801-E804 WeakPolarHBondContact OG-CG 3.49Å; S801-E804 PolarHBondContact OG-OE2 3.43Å; E804-R806 VanDerWaalsContact C-N 3.31Å; E804-R806 PolarHBondContact O-N 3.23Å; E804-G807 PolarHBondContact O-N 2.86Å
805V44.3Very low44Very low80 Ų80127 Ų12749%0.48563%0.632SS.*Hα-helixtrans-66.8-32.3-178.2-177.10000111.9T803 G807T803-V805 PolarHBondContact O-N 3.22Å; V805-G807 VanDerWaalsContact C-N 3.3Å; V805-G807 PolarHBondContact O-N 3.46Å
806R35.3Very low45.8Very low218 Ų218120.8 Ų120.882%0.82360%0.599SS**Hα-helixtrans-68.7-26.9-178.5-177.5173.8-87.5-140.3-3.1112.8T803 E804T803-R806 PolarHBondContact O-N 3.07Å; E804-R806 VanDerWaalsContact C-N 3.31Å; E804-R806 PolarHBondContact O-N 3.23Å
807G45.7Very low47.6Very low44 Ų44113 Ų11345%0.45457%0.573SS.*Hα-helixtrans-70.9-46.4176.700000113.1E804 V805 V809 S810E804-G807 PolarHBondContact O-N 2.86Å; V805-G807 VanDerWaalsContact C-N 3.3Å; V805-G807 PolarHBondContact O-N 3.46Å; G807-V809 VanDerWaalsContact C-N 3.28Å; G807-V809 PolarHBondContact O-N 3.3Å; G807-S810 PolarHBondContact O-N 3.47Å
808Q45Very low49.5Very low133 Ų133106.1 Ų106.162%0.62155%0.55SS**Hα-helixtrans-67.9-24.3-172.6-59.7-162.8-66.600114.1
809V44.7Very low51Low75 Ų7599.3 Ų99.346%0.45553%0.529SS..Hα-helixtrans-66.5-44.1175.4178.60000110.5G807 E811 S812 E813G807-V809 VanDerWaalsContact C-N 3.28Å; G807-V809 PolarHBondContact O-N 3.3Å; V809-E811 PolarHBondContact O-N 3.44Å; V809-S812 PolarHBondContact O-N 2.84Å; V809-S812 VanDerWaalsContact O-N 3.08Å; V809-S812 PolarHBondContact O-OG 2.88Å; V809-E813 PolarHBondContact O-N 3.16Å
810S47.6Very low53.2Low74 Ų7493.5 Ų93.552%0.51749%0.492SS..Hα-helixtrans-62.2-44.3-176.6-153.30000112.1G807 S812 E813 D814G807-S810 PolarHBondContact O-N 3.47Å; S810-S812 PolarHBondContact O-N 3.35Å; S810-E813 PolarHBondContact O-N 3.03Å; S810-D814 WeakPolarHBondContact O-CB 3.12Å; S810-D814 PolarHBondContact O-N 2.87Å; S810-D814 VanDerWaalsContact O-N 3.14Å
811E51.8Low55.1Low146 Ų14692.4 Ų92.468%0.68249%0.489SS*.Hα-helixtrans-61.2-26.3177.2-64.5-175136.900113V809 S815V809-E811 PolarHBondContact O-N 3.44Å; E811-S815 PolarHBondContact O-N 3.19Å
812S52.9Low56.8Low60 Ų6093.2 Ų93.242%0.4250%0.495SS..Hα-helixtrans-80.4-40.4-179.474.40000113.1V809 S810 S815 I816V809-S812 PolarHBondContact O-N 2.84Å; V809-S812 VanDerWaalsContact O-N 3.08Å; V809-S812 PolarHBondContact O-OG 2.88Å; S810-S812 PolarHBondContact O-N 3.35Å; S812-S815 WeakPolarHBondContact O-CB 3.16Å; S812-S815 PolarHBondContact O-N 3.35Å; S812-I816 PolarHBondContact O-N 3.42Å
813E55.2Low58.9Low111 Ų11187.3 Ų87.352%0.51946%0.464SS..Hα-helixtrans-68.5-38.1174.7-66.6-171.7-177.900111.8V809 S810 S815 I816 T817V809-E813 PolarHBondContact O-N 3.16Å; S810-E813 PolarHBondContact O-N 3.03Å; E813-S815 PolarHBondContact O-N 3.48Å; E813-I816 PolarHBondContact O-N 2.86Å; E813-T817 PolarHBondContact O-N 3.28Å; E813-T817 PolarHBondContact O-OG1 3.48Å
814D59.1Low60.8Low82 Ų8284.6 Ų84.644%0.43944%0.443SS..Hα-helixtrans-61.4-21.8172.8-107.344000113.9S810 T817 K818S810-D814 WeakPolarHBondContact O-CB 3.12Å; S810-D814 PolarHBondContact O-N 2.87Å; S810-D814 VanDerWaalsContact O-N 3.14Å; D814-T817 WeakPolarHBondContact CA-OG1 3.4Å; D814-T817 PolarHBondContact O-OG1 3.33Å; D814-K818 WeakPolarHBondContact O-CD 3.45Å; D814-K818 WeakPolarHBondContact O-CE 3.46Å; D814-K818 VanDerWaalsContact O-CG 3.26Å; D814-K818 WeakPolarHBondContact O-CG 3.49Å; D814-K818 PolarHBondContact O-NZ 2.96Å; D814-K818 IonicContact OD2-NZ 3.74Å; D814-K818 PolarHBondContact OD2-NZ 2.61Å
815S67.2Low62.4Low58 Ų5883.7 Ų83.741%0.40645%0.445SS..Hα-helixtrans-87.7-36.4178.1-174.80000111.8E811 S812 E813 Q819E811-S815 PolarHBondContact O-N 3.19Å; S812-S815 WeakPolarHBondContact O-CB 3.16Å; S812-S815 PolarHBondContact O-N 3.35Å; E813-S815 PolarHBondContact O-N 3.48Å; S815-Q819 WeakPolarHBondContact O-CG 3.26Å; S815-Q819 PolarHBondContact O-N 2.82Å; S815-Q819 PolarHBondContact O-NE2 2.9Å; S815-Q819 PolarHBondContact OG-NE2 2.97Å
816I73.3Confident64.1Low52 Ų5281.4 Ų81.427%0.26743%0.429SS..Hα-helixtrans-73.5-40178.5-65.8168.2000110.8K785 S812 E813 Q819 I820K785-I816 HydrophobicContact CB-CG2 4.29Å; S812-I816 PolarHBondContact O-N 3.42Å; E813-I816 PolarHBondContact O-N 2.86Å; I816-Q819 PolarHBondContact O-N 3.07Å; I816-I820 HydrophobicContact CG2-CD1 4Å; I816-I820 WeakPolarHBondContact O-CG1 3.44Å; I816-I820 PolarHBondContact O-N 3.16Å
817T73.4Confident66.2Low33 Ų3373.1 Ų73.120%0.20240%0.4CS..Hα-helixtrans-58.7-50.7174.537.90000112.3K785 E813 D814 Q819 I820 E821K785-T817 HydrophobicContact CD-CG2 4.47Å; K785-T817 VanDerWaalsContact NZ-CG2 3.34Å; E813-T817 PolarHBondContact O-N 3.28Å; E813-T817 PolarHBondContact O-OG1 3.48Å; D814-T817 WeakPolarHBondContact CA-OG1 3.4Å; D814-T817 PolarHBondContact O-OG1 3.33Å; T817-Q819 PolarHBondContact O-N 3.24Å; T817-I820 WeakPolarHBondContact O-CB 3.47Å; T817-I820 PolarHBondContact O-N 3.02Å; T817-E821 WeakPolarHBondContact O-CG 3.36Å; T817-E821 PolarHBondContact O-N 3.44Å
818K74.2Confident67.7Low113 Ų11377.5 Ų77.549%0.49141%0.408SS..Hα-helixtrans-62-28.8177.4-66.9171.4-167.2120.10113.1D814 S822D814-K818 WeakPolarHBondContact O-CD 3.45Å; D814-K818 WeakPolarHBondContact O-CE 3.46Å; D814-K818 VanDerWaalsContact O-CG 3.26Å; D814-K818 WeakPolarHBondContact O-CG 3.49Å; D814-K818 PolarHBondContact O-NZ 2.96Å; D814-K818 IonicContact OD2-NZ 3.74Å; D814-K818 PolarHBondContact OD2-NZ 2.61Å; K818-S822 VanDerWaalsContact O-CB 3.32Å; K818-S822 WeakPolarHBondContact O-CB 3.35Å; K818-S822 PolarHBondContact O-N 2.94Å; K818-S822 VanDerWaalsContact O-N 3.12Å
819Q74.7Confident69.3Low92 Ų9275.5 Ų75.543%0.4340%0.398SS..Hα-helixtrans-72.9-38.2172.4-76.117065.100112.7S815 I816 T817 L823S815-Q819 WeakPolarHBondContact O-CG 3.26Å; S815-Q819 PolarHBondContact O-N 2.82Å; S815-Q819 PolarHBondContact O-NE2 2.9Å; S815-Q819 PolarHBondContact OG-NE2 2.97Å; I816-Q819 PolarHBondContact O-N 3.07Å; T817-Q819 PolarHBondContact O-N 3.24Å; Q819-L823 WeakPolarHBondContact O-CG 3.4Å; Q819-L823 PolarHBondContact O-N 3.01Å
820I78.9Confident71Confident11 Ų1172.1 Ų72.16%0.05638%0.377CS..Hα-helixtrans-64-51.1174.2-69.5163.3000109.9V778 L781 K782 K785 I816 T817 S822 L823 E824V778-I820 HydrophobicContact CG1-CG2 4.5Å; L781-I820 HydrophobicContact CB-CD1 4.27Å; L781-I820 HydrophobicContact CB-CG1 3.82Å; K782-I820 HydrophobicContact CG-CD1 3.94Å; K782-I820 HydrophobicContact CG-CG2 4.45Å; K785-I820 HydrophobicContact CD-CD1 4.45Å; I816-I820 HydrophobicContact CG2-CD1 4Å; I816-I820 WeakPolarHBondContact O-CG1 3.44Å; I816-I820 PolarHBondContact O-N 3.16Å; T817-I820 WeakPolarHBondContact O-CB 3.47Å; T817-I820 PolarHBondContact O-N 3.02Å; I820-S822 VanDerWaalsContact C-N 3.31Å; I820-S822 PolarHBondContact O-N 3.45Å; I820-L823 PolarHBondContact O-N 3.06Å; I820-E824 HydrophobicContact CG2-CG 4.31Å; I820-E824 WeakPolarHBondContact CG2-OE2 3.43Å; I820-E824 WeakPolarHBondContact O-CG 3.49Å; I820-E824 PolarHBondContact O-N 3.22Å
821E76.5Confident72.8Confident115 Ų11570.2 Ų70.254%0.53736%0.364SS..Hα-helixtrans-54.8-45.5177.3-69.8167-176.800111.7T817 L823 E824 T825T817-E821 WeakPolarHBondContact O-CG 3.36Å; T817-E821 PolarHBondContact O-N 3.44Å; E821-L823 VanDerWaalsContact C-N 3.27Å; E821-L823 PolarHBondContact O-N 2.92Å; E821-E824 PolarHBondContact O-N 3.37Å; E821-T825 PolarHBondContact O-N 3.04Å; E821-T825 PolarHBondContact O-OG1 3.06Å; E821-T825 VanDerWaalsContact O-OG1 3.09Å
822S75.2Confident74.1Confident73 Ų7366.1 Ų66.151%0.5136%0.355SS..Hα-helixtrans-65.5-24.6178.6-176.60000114.3K818 I820 T825K818-S822 VanDerWaalsContact O-CB 3.32Å; K818-S822 WeakPolarHBondContact O-CB 3.35Å; K818-S822 PolarHBondContact O-N 2.94Å; K818-S822 VanDerWaalsContact O-N 3.12Å; I820-S822 VanDerWaalsContact C-N 3.31Å; I820-S822 PolarHBondContact O-N 3.45Å; S822-T825 PolarHBondContact O-OG1 3.2Å
823L78.7Confident75.5Confident42 Ų4264.7 Ų64.722%0.2234%0.342CS..Hα-helixtrans-89.6-33.3177-71.6168.1000111.7L774 V778 L781 Q819 I820 E821 E826 M827L774-L823 HydrophobicContact CD2-CD2 3.81Å; V778-L823 HydrophobicContact CG2-CB 3.53Å; V778-L823 HydrophobicContact CG2-CD1 4.39Å; L781-L823 HydrophobicContact CD1-CD1 3.42Å; L781-L823 VanDerWaalsContact CD1-CD1 3.42Å; Q819-L823 WeakPolarHBondContact O-CG 3.4Å; Q819-L823 PolarHBondContact O-N 3.01Å; I820-L823 PolarHBondContact O-N 3.06Å; E821-L823 VanDerWaalsContact C-N 3.27Å; E821-L823 PolarHBondContact O-N 2.92Å; L823-E826 PolarHBondContact O-N 3.3Å; L823-M827 WeakPolarHBondContact O-CB 3.37Å; L823-M827 PolarHBondContact O-N 2.95Å
824E79.8Confident76.9Confident61 Ų6159.9 Ų59.929%0.28532%0.319SS..Hα-helixtrans-64.6-43.6172.9-70.4-177.9136.400111.1V778 K782 I820 E821 E826 M827 E828V778-E824 HydrophobicContact CG1-CG 4.06Å; V778-E824 HydrophobicContact CG2-CG 4.2Å; K782-E824 WeakPolarHBondContact CE-OE1 3.36Å; K782-E824 IonicContact NZ-OE1 3.17Å; K782-E824 PolarHBondContact NZ-OE1 3.41Å; I820-E824 HydrophobicContact CG2-CG 4.31Å; I820-E824 WeakPolarHBondContact CG2-OE2 3.43Å; I820-E824 WeakPolarHBondContact O-CG 3.49Å; I820-E824 PolarHBondContact O-N 3.22Å; E821-E824 PolarHBondContact O-N 3.37Å; E824-E826 VanDerWaalsContact C-N 3.35Å; E824-E826 PolarHBondContact O-N 3.27Å; E824-M827 WeakPolarHBondContact O-CB 3.42Å; E824-M827 PolarHBondContact O-N 3.16Å; E824-M827 VanDerWaalsContact O-N 3.15Å; E824-E828 PolarHBondContact O-N 3.05Å
825T77.3Confident78.1Confident85 Ų8558.5 Ų58.552%0.52132%0.32SS..Hα-helixtrans-63.9-34.917550.30000113.6E821 S822 F829E821-T825 PolarHBondContact O-N 3.04Å; E821-T825 PolarHBondContact O-OG1 3.06Å; E821-T825 VanDerWaalsContact O-OG1 3.09Å; S822-T825 PolarHBondContact O-OG1 3.2Å; T825-F829 WeakPolarHBondContact O-CB 3.38Å; T825-F829 PolarHBondContact O-N 2.94Å; T825-F829 VanDerWaalsContact O-N 3.08Å
826E78.8Confident78.7Confident31 Ų3159 Ų5915%0.14532%0.317CS..Hα-helixtrans-70.2-38.1173.3177.664.9-163.700110.9L700 L774 L823 E824 F829 R830L700-E826 HydrophobicContact CD2-CG 4.25Å; L774-E826 HydrophobicContact CD1-CG 3.82Å; L774-E826 HydrophobicContact CD2-CG 4.35Å; L823-E826 PolarHBondContact O-N 3.3Å; E824-E826 VanDerWaalsContact C-N 3.35Å; E824-E826 PolarHBondContact O-N 3.27Å; E826-F829 PolarHBondContact O-N 2.87Å; E826-R830 VanDerWaalsContact O-CG 3.32Å; E826-R830 WeakPolarHBondContact O-CG 3.38Å; E826-R830 PolarHBondContact O-N 3.16Å; E826-R830 IonicContact OE1-CZ 3.72Å; E826-R830 IonicContact OE1-NE 2.86Å; E826-R830 PolarHBondContact OE1-NE 3.1Å; E826-R830 IonicContact OE1-NH2 3.12Å; E826-R830 PolarHBondContact OE1-NH2 3.02Å
827M80Confident79.1Confident45 Ų4556.6 Ų56.622%0.22231%0.305CS..Hα-helixtrans-65.3-38.2175.8-176.1-178.859.100112.5R771 L774 A775 L823 E824 S831R771-M827 HydrophobicContact CG-CG 4.1Å; L774-M827 HydrophobicContact CB-CB 4.49Å; A775-M827 HydrophobicContact CB-SD 4.08Å; L823-M827 WeakPolarHBondContact O-CB 3.37Å; L823-M827 PolarHBondContact O-N 2.95Å; E824-M827 WeakPolarHBondContact O-CB 3.42Å; E824-M827 PolarHBondContact O-N 3.16Å; E824-M827 VanDerWaalsContact O-N 3.15Å; M827-S831 WeakPolarHBondContact O-CB 3.32Å; M827-S831 PolarHBondContact O-N 3.46Å; M827-S831 PolarHBondContact O-OG 2.9Å
828E78.3Confident79.6Confident135 Ų13559 Ų5963%0.63131%0.314SS*.Hα-helixtrans-62.5-47.1170.9-73.1-173.9162.500111.2E824 R830 S831 A832E824-E828 PolarHBondContact O-N 3.05Å; E828-R830 PolarHBondContact O-N 3.49Å; E828-S831 WeakPolarHBondContact O-CA 3.4Å; E828-S831 VanDerWaalsContact O-CB 3.32Å; E828-S831 WeakPolarHBondContact O-CB 3.46Å; E828-S831 PolarHBondContact O-N 3.01Å; E828-A832 PolarHBondContact O-N 3.41Å
829F77.7Confident80Confident91 Ų9158.8 Ų58.840%0.39932%0.315SS..Hα-helixtrans-58.9-44.9177.1178.4-93.2000112.3T704 T825 E826 S831 A832 Q833T704-F829 HydrophobicContact CG2-CE1 3.57Å; T704-F829 HydrophobicContact CG2-CZ 3.86Å; T825-F829 WeakPolarHBondContact O-CB 3.38Å; T825-F829 PolarHBondContact O-N 2.94Å; T825-F829 VanDerWaalsContact O-N 3.08Å; E826-F829 PolarHBondContact O-N 2.87Å; F829-S831 VanDerWaalsContact C-N 3.29Å; F829-S831 PolarHBondContact O-N 3.32Å; F829-A832 PolarHBondContact O-N 3.33Å; F829-Q833 HydrophobicContact CD1-CG 4.35Å; F829-Q833 HydrophobicContact CE1-CG 3.86Å; F829-Q833 HydrophobicContact CZ-CG 4.1Å; F829-Q833 PolarHBondContact O-N 2.89Å
830R81.2Confident80.3Confident4 Ų457.3 Ų57.32%0.01531%0.307CS..Hα-helixtrans-61.1-38173.2-65-67.8160.3-172-4.2112L774 E826 E828 A832 Q833 I834L774-R830 HydrophobicContact CD1-CG 4.01Å; E826-R830 VanDerWaalsContact O-CG 3.32Å; E826-R830 WeakPolarHBondContact O-CG 3.38Å; E826-R830 PolarHBondContact O-N 3.16Å; E826-R830 IonicContact OE1-CZ 3.72Å; E826-R830 IonicContact OE1-NE 2.86Å; E826-R830 PolarHBondContact OE1-NE 3.1Å; E826-R830 IonicContact OE1-NH2 3.12Å; E826-R830 PolarHBondContact OE1-NH2 3.02Å; E828-R830 PolarHBondContact O-N 3.49Å; R830-A832 VanDerWaalsContact C-N 3.33Å; R830-A832 PolarHBondContact O-N 3.36Å; R830-Q833 VanDerWaalsContact NH1-OE1 3.12Å; R830-Q833 PolarHBondContact O-N 3.3Å; R830-I834 WeakPolarHBondContact O-CD1 3.46Å; R830-I834 VanDerWaalsContact O-CG1 3.3Å; R830-I834 WeakPolarHBondContact O-CG1 3.3Å; R830-I834 PolarHBondContact O-N 3.46Å
831S83.9Confident80.4Confident34 Ų3457.2 Ų57.224%0.23831%0.307CS..Hα-helixtrans-64.1-37.4177.1-55.30000112.1R771 M827 E828 F829 A835R771-S831 PolarHBondContact NE-OG 3Å; M827-S831 WeakPolarHBondContact O-CB 3.32Å; M827-S831 PolarHBondContact O-N 3.46Å; M827-S831 PolarHBondContact O-OG 2.9Å; E828-S831 WeakPolarHBondContact O-CA 3.4Å; E828-S831 VanDerWaalsContact O-CB 3.32Å; E828-S831 WeakPolarHBondContact O-CB 3.46Å; E828-S831 PolarHBondContact O-N 3.01Å; F829-S831 VanDerWaalsContact C-N 3.29Å; F829-S831 PolarHBondContact O-N 3.32Å; S831-A835 PolarHBondContact O-N 2.96Å
832A80.9Confident80.6Confident61 Ų6157.5 Ų57.550%0.50431%0.311SS..Hα-helixtrans-67.6-41.717300000112.6E828 F829 R830 I834 A835 D836E828-A832 PolarHBondContact O-N 3.41Å; F829-A832 PolarHBondContact O-N 3.33Å; R830-A832 VanDerWaalsContact C-N 3.33Å; R830-A832 PolarHBondContact O-N 3.36Å; A832-I834 VanDerWaalsContact C-N 3.33Å; A832-I834 PolarHBondContact O-N 3.36Å; A832-A835 PolarHBondContact O-N 2.93Å; A832-D836 PolarHBondContact O-N 3.31Å; A832-D836 VanDerWaalsContact O-N 3.13Å
833Q80.9Confident80.5Confident30 Ų3058.1 Ų58.114%0.1431%0.309CS..Hα-helixtrans-61.5-39.9174.8-68-168.9-49.300112.5L767 F829 R830 L837L767-Q833 HydrophobicContact CD1-CB 4.14Å; F829-Q833 HydrophobicContact CD1-CG 4.35Å; F829-Q833 HydrophobicContact CE1-CG 3.86Å; F829-Q833 HydrophobicContact CZ-CG 4.1Å; F829-Q833 PolarHBondContact O-N 2.89Å; R830-Q833 VanDerWaalsContact NH1-OE1 3.12Å; R830-Q833 PolarHBondContact O-N 3.3Å; Q833-L837 WeakPolarHBondContact O-CB 3.36Å; Q833-L837 PolarHBondContact O-N 2.93Å; Q833-L837 VanDerWaalsContact O-N 3.09Å
834I85.3Confident80.2Confident9 Ų956.4 Ų56.45%0.04630%0.301CS..Hα-helixtrans-59.4-48.7176-77160000111L764 L767 L768 R771 R830 A832 L837 Q838L764-I834 HydrophobicContact CD1-CB 4.31Å; L764-I834 HydrophobicContact CD1-CG1 4.27Å; L764-I834 HydrophobicContact CD1-CG2 3.97Å; L767-I834 HydrophobicContact CB-CD1 4.3Å; L767-I834 HydrophobicContact CB-CG1 3.81Å; L768-I834 HydrophobicContact CD2-CD1 3.93Å; L768-I834 HydrophobicContact CD2-CG1 4.44Å; L768-I834 HydrophobicContact CD2-CG2 4.24Å; L768-I834 HydrophobicContact CG-CD1 4.31Å; R771-I834 HydrophobicContact CB-CD1 4.2Å; R830-I834 WeakPolarHBondContact O-CD1 3.46Å; R830-I834 VanDerWaalsContact O-CG1 3.3Å; R830-I834 WeakPolarHBondContact O-CG1 3.3Å; R830-I834 PolarHBondContact O-N 3.46Å; A832-I834 VanDerWaalsContact C-N 3.33Å; A832-I834 PolarHBondContact O-N 3.36Å; I834-L837 PolarHBondContact O-N 3.48Å; I834-Q838 HydrophobicContact CG2-CG 4.5Å; I834-Q838 WeakPolarHBondContact O-CB 3.4Å; I834-Q838 VanDerWaalsContact O-CG 3.26Å; I834-Q838 WeakPolarHBondContact O-CG 3.45Å; I834-Q838 PolarHBondContact O-N 2.94Å
835A83.9Confident79.7Confident54 Ų5458.2 Ų58.245%0.44631%0.309SS..Hα-helixtrans-65.2-44-178.300000112.8S831 A832 L837 Q838 Q839S831-A835 PolarHBondContact O-N 2.96Å; A832-A835 PolarHBondContact O-N 2.93Å; A835-L837 VanDerWaalsContact C-N 3.34Å; A835-L837 PolarHBondContact O-N 3.35Å; A835-Q838 PolarHBondContact O-N 3.47Å; A835-Q839 PolarHBondContact O-N 2.66Å
836D80.5Confident79.2Confident67 Ų6757.1 Ų57.136%0.35831%0.305SS..Hα-helixtrans-59.9-41.8176168.177.1000112.4N711 A832 K840N711-D836 PolarHBondContact ND2-OD2 2.93Å; A832-D836 PolarHBondContact O-N 3.31Å; A832-D836 VanDerWaalsContact O-N 3.13Å; D836-K840 WeakPolarHBondContact O-CD 3.38Å; D836-K840 WeakPolarHBondContact O-CG 3.45Å; D836-K840 PolarHBondContact O-N 3.29Å; D836-K840 WeakPolarHBondContact OD1-CE 3.4Å; D836-K840 IonicContact OD1-NZ 3.95Å; D836-K840 PolarHBondContact OD1-NZ 3.2Å; D836-K840 IonicContact OD2-NZ 2.7Å; D836-K840 PolarHBondContact OD2-NZ 3.39Å
837L81.1Confident78.3Confident2 Ų264 Ų641%0.0134%0.337CS..Hα-helixtrans-73.7-36.8178.9-16959.7000112.3A760 H763 L764 L767 Q833 I834 A835 K840 L841A760-L837 HydrophobicContact CB-CD1 4.04Å; H763-L837 HydrophobicContact CB-CD2 4.36Å; L764-L837 HydrophobicContact CB-CD2 3.87Å; L764-L837 HydrophobicContact CB-CG 4.4Å; L767-L837 HydrophobicContact CD1-CD2 4.08Å; Q833-L837 WeakPolarHBondContact O-CB 3.36Å; Q833-L837 PolarHBondContact O-N 2.93Å; Q833-L837 VanDerWaalsContact O-N 3.09Å; I834-L837 PolarHBondContact O-N 3.48Å; A835-L837 VanDerWaalsContact C-N 3.34Å; A835-L837 PolarHBondContact O-N 3.35Å; L837-K840 PolarHBondContact O-N 2.82Å; L837-L841 HydrophobicContact CG-CD1 4.46Å; L837-L841 WeakPolarHBondContact O-CG 3.42Å; L837-L841 PolarHBondContact O-N 3.39Å
838Q84.5Confident77.4Confident84 Ų8465.8 Ų65.839%0.39335%0.348SS..Hα-helixtrans-61.2-44.9173.8-79.2172.6-20.200112.3L764 I834 A835 K840 L841 L842L764-Q838 HydrophobicContact CD1-CG 3.74Å; L764-Q838 HydrophobicContact CD2-CG 3.6Å; L764-Q838 HydrophobicContact CG-CG 4.34Å; I834-Q838 HydrophobicContact CG2-CG 4.5Å; I834-Q838 WeakPolarHBondContact O-CB 3.4Å; I834-Q838 VanDerWaalsContact O-CG 3.26Å; I834-Q838 WeakPolarHBondContact O-CG 3.45Å; I834-Q838 PolarHBondContact O-N 2.94Å; A835-Q838 PolarHBondContact O-N 3.47Å; Q838-K840 VanDerWaalsContact C-N 3.34Å; Q838-K840 PolarHBondContact O-N 3.39Å; Q838-L841 PolarHBondContact O-N 2.91Å; Q838-L842 WeakPolarHBondContact O-CG 3.33Å; Q838-L842 PolarHBondContact O-N 3.2Å
839Q82.6Confident76.8Confident108 Ų10861.5 Ų61.551%0.50533%0.326SS..Hα-helixtrans-61-42.5177-176.959.457.900111.9A835 L841 L842 D843A835-Q839 PolarHBondContact O-N 2.66Å; Q839-L841 VanDerWaalsContact C-N 3.31Å; Q839-L841 PolarHBondContact O-N 2.8Å; Q839-L842 WeakPolarHBondContact O-CB 3.4Å; Q839-L842 PolarHBondContact O-N 2.98Å; Q839-D843 PolarHBondContact NE2-OD1 2.9Å; Q839-D843 PolarHBondContact O-N 3.47Å
840K79.8Confident76.2Confident62 Ų6260.5 Ų60.527%0.2733%0.328SS..Hα-helixtrans-68.9-28.6179.4-69.4164.4-175.5166.70113.4N711 L714 D836 L837 Q838 A844N711-K840 WeakPolarHBondContact OD1-CD 3.43Å; N711-K840 WeakPolarHBondContact OD1-CE 3.18Å; N711-K840 PolarHBondContact OD1-NZ 3.14Å; L714-K840 HydrophobicContact CD2-CB 4.05Å; D836-K840 WeakPolarHBondContact O-CD 3.38Å; D836-K840 WeakPolarHBondContact O-CG 3.45Å; D836-K840 PolarHBondContact O-N 3.29Å; D836-K840 WeakPolarHBondContact OD1-CE 3.4Å; D836-K840 IonicContact OD1-NZ 3.95Å; D836-K840 PolarHBondContact OD1-NZ 3.2Å; D836-K840 IonicContact OD2-NZ 2.7Å; D836-K840 PolarHBondContact OD2-NZ 3.39Å; L837-K840 PolarHBondContact O-N 2.82Å; Q838-K840 VanDerWaalsContact C-N 3.34Å; Q838-K840 PolarHBondContact O-N 3.39Å; K840-A844 WeakPolarHBondContact O-CB 3.31Å; K840-A844 PolarHBondContact O-N 3.13Å
841L81.3Confident75.6Confident9 Ų965.8 Ų65.85%0.04735%0.351CS..Hα-helixtrans-71.6-43.4171.6-75.3168000111.2T757 A760 K761 L764 L837 Q838 Q839 D843 A844 E845T757-L841 HydrophobicContact CG2-CD2 3.81Å; T757-L841 WeakPolarHBondContact O-CD2 3.32Å; A760-L841 HydrophobicContact CB-CD2 3.79Å; A760-L841 HydrophobicContact CB-CG 4.35Å; K761-L841 HydrophobicContact CG-CD1 4.06Å; K761-L841 HydrophobicContact CG-CD2 3.86Å; L764-L841 HydrophobicContact CB-CD1 4.31Å; L764-L841 HydrophobicContact CD2-CD1 3.81Å; L837-L841 HydrophobicContact CG-CD1 4.46Å; L837-L841 WeakPolarHBondContact O-CG 3.42Å; L837-L841 PolarHBondContact O-N 3.39Å; Q838-L841 PolarHBondContact O-N 2.91Å; Q839-L841 VanDerWaalsContact C-N 3.31Å; Q839-L841 PolarHBondContact O-N 2.8Å; L841-D843 VanDerWaalsContact C-N 3.33Å; L841-D843 PolarHBondContact O-N 3.19Å; L841-A844 CarbonylContact O-C 3.56Å; L841-A844 WeakPolarHBondContact O-CA 3.21Å; L841-A844 WeakPolarHBondContact O-CB 3.09Å; L841-A844 PolarHBondContact O-N 3.24Å; L841-E845 WeakPolarHBondContact O-CG 3.42Å; L841-E845 PolarHBondContact O-N 3.24Å
842L81.9Confident74.8Confident121 Ų12168.8 Ų68.863%0.63436%0.362SS*.Hα-helixtrans-57.1-45.2173.1-73164.3000111.8Q838 Q839 A844 E845Q838-L842 WeakPolarHBondContact O-CG 3.33Å; Q838-L842 PolarHBondContact O-N 3.2Å; Q839-L842 WeakPolarHBondContact O-CB 3.4Å; Q839-L842 PolarHBondContact O-N 2.98Å; L842-A844 PolarHBondContact O-N 3.09Å; L842-E845 PolarHBondContact O-N 3.45Å
843D72.3Confident74.4Confident86 Ų8669 Ų6946%0.4635%0.35SS..Hα-helixtrans-60.4-27.5174.6-69.84.9000112.9Q839 L841 R849Q839-D843 PolarHBondContact NE2-OD1 2.9Å; Q839-D843 PolarHBondContact O-N 3.47Å; L841-D843 VanDerWaalsContact C-N 3.33Å; L841-D843 PolarHBondContact O-N 3.19Å; D843-R849 PolarHBondContact O-NH2 3.49Å
844A71.6Confident73.9Confident6 Ų677.1 Ų77.15%0.0538%0.379CS..Hα-helixtrans-88.8-22.2-178.900000114.3L718 T757 K840 L841 L842 R849L718-A844 HydrophobicContact CD1-CB 4.35Å; L718-A844 HydrophobicContact CD2-CB 4.28Å; T757-A844 HydrophobicContact CG2-CB 4.31Å; K840-A844 WeakPolarHBondContact O-CB 3.31Å; K840-A844 PolarHBondContact O-N 3.13Å; L841-A844 CarbonylContact O-C 3.56Å; L841-A844 WeakPolarHBondContact O-CA 3.21Å; L841-A844 WeakPolarHBondContact O-CB 3.09Å; L841-A844 PolarHBondContact O-N 3.24Å; L842-A844 PolarHBondContact O-N 3.09Å; A844-R849 WeakPolarHBondContact O-CD 3.49Å; A844-R849 PolarHBondContact O-NE 3.43Å; A844-R849 VanDerWaalsContact O-NE 3.08Å; A844-R849 PolarHBondContact O-NH1 3.21Å
845E70.9Confident73.3Confident99 Ų9983.5 Ų83.546%0.46341%0.408SS..  trans-109.513.3-169.4-65.5-155.510600115.6T757 K761 L841 L842 E847T757-E845 HydrophobicContact CG2-CG 3.9Å; K761-E845 WeakPolarHBondContact CE-OE1 3.39Å; K761-E845 WeakPolarHBondContact CE-OE2 3.45Å; K761-E845 IonicContact NZ-OE1 2.7Å; K761-E845 PolarHBondContact NZ-OE1 3.26Å; K761-E845 IonicContact NZ-OE2 2.95Å; L841-E845 WeakPolarHBondContact O-CG 3.42Å; L841-E845 PolarHBondContact O-N 3.24Å; L842-E845 PolarHBondContact O-N 3.45Å; E845-E847 PolarHBondContact O-N 3.01Å
846S66.6Low72.7Confident62 Ų6284.3 Ų84.343%0.43441%0.405SS..  trans-45.4125.3177.4630000114.2D848 R849S846-D848 VanDerWaalsContact C-N 3.28Å; S846-D848 PolarHBondContact O-N 3.27Å; S846-R849 WeakPolarHBondContact O-CB 3.47Å; S846-R849 WeakPolarHBondContact O-CG 3.37Å; S846-R849 PolarHBondContact O-N 3.4Å; S846-R849 VanDerWaalsContact OG-CD 3.32Å; S846-R849 WeakPolarHBondContact OG-CD 3.49Å; S846-R849 WeakPolarHBondContact OG-CG 3.49Å; S846-R849 PolarHBondContact OG-NE 3.12Å
847E58.6Low72.7Confident175 Ų17583.3 Ų83.382%0.81840%0.4SS*.THydrogen-bonded Turntrans-58.8-21-158.2-60.6-170141.700117.4E845 P850E845-E847 PolarHBondContact O-N 3.01Å; E847-P850 VanDerWaalsContact O-CD 3.24Å; E847-P850 WeakPolarHBondContact O-CD 3.4Å
848D61Low72.4Confident83 Ų8387.5 Ų87.544%0.44444%0.435SS..THydrogen-bonded Turntrans-83.7-13.5179.1-74.1-43.7000114.2S846 P850 K851 Q852S846-D848 VanDerWaalsContact C-N 3.28Å; S846-D848 PolarHBondContact O-N 3.27Å; D848-P850 VanDerWaalsContact C-CD 3.43Å; D848-K851 WeakPolarHBondContact O-CB 3.48Å; D848-K851 PolarHBondContact O-N 3.24Å; D848-K851 WeakPolarHBondContact OD1-CD 3.2Å; D848-K851 WeakPolarHBondContact OD1-CE 3.41Å; D848-K851 IonicContact OD1-NZ 2.67Å; D848-K851 PolarHBondContact OD1-NZ 3.24Å; D848-Q852 WeakPolarHBondContact O-CG 3.27Å; D848-Q852 PolarHBondContact O-N 3.26Å
849R65.7Low72.3Confident44 Ų4486.7 Ų86.717%0.16644%0.435CS..Hα-helixtrans-51.8-42.1179-74.8169.4-178.8-112.514.5113.8D843 A844 S846 K851 R853D843-R849 PolarHBondContact O-NH2 3.49Å; A844-R849 WeakPolarHBondContact O-CD 3.49Å; A844-R849 PolarHBondContact O-NE 3.43Å; A844-R849 VanDerWaalsContact O-NE 3.08Å; A844-R849 PolarHBondContact O-NH1 3.21Å; S846-R849 WeakPolarHBondContact O-CB 3.47Å; S846-R849 WeakPolarHBondContact O-CG 3.37Å; S846-R849 PolarHBondContact O-N 3.4Å; S846-R849 VanDerWaalsContact OG-CD 3.32Å; S846-R849 WeakPolarHBondContact OG-CD 3.49Å; S846-R849 WeakPolarHBondContact OG-CG 3.49Å; S846-R849 PolarHBondContact OG-NE 3.12Å; R849-K851 VanDerWaalsContact C-N 3.32Å; R849-K851 PolarHBondContact O-N 3.08Å; R849-R853 VanDerWaalsContact O-CG 3.32Å; R849-R853 WeakPolarHBondContact O-CG 3.29Å; R849-R853 PolarHBondContact O-N 3.4Å; R849-R853 VanDerWaalsContact O-N 3.13Å
850P66.3Low72.3Confident70 Ų7089 Ų8946%0.45545%0.449SS..Hα-helixtrans-63.2-34.1177.3-22.235.2000113.6E847 D848E847-P850 VanDerWaalsContact O-CD 3.24Å; E847-P850 WeakPolarHBondContact O-CD 3.4Å; D848-P850 VanDerWaalsContact C-CD 3.43Å
851K67.7Low72.3Confident115 Ų11590.5 Ų90.550%0.546%0.46SS..Hα-helixtrans-72.4-50.1179-54.2170.7-163.8158.90110D848 R849 R853 W854 E855D848-K851 WeakPolarHBondContact O-CB 3.48Å; D848-K851 PolarHBondContact O-N 3.24Å; D848-K851 WeakPolarHBondContact OD1-CD 3.2Å; D848-K851 WeakPolarHBondContact OD1-CE 3.41Å; D848-K851 IonicContact OD1-NZ 2.67Å; D848-K851 PolarHBondContact OD1-NZ 3.24Å; R849-K851 VanDerWaalsContact C-N 3.32Å; R849-K851 PolarHBondContact O-N 3.08Å; K851-R853 PolarHBondContact O-N 3.38Å; K851-R853 VanDerWaalsContact O-N 3.16Å; K851-W854 PolarHBondContact O-N 3.49Å; K851-E855 PolarHBondContact O-N 3.41Å; K851-E855 VanDerWaalsContact O-N 3.14Å
852Q67.3Low72.4Confident98 Ų9891.5 Ų91.546%0.45846%0.464SS..Hα-helixtrans-56.7-32.8178.2-68.3176.20.100112.9D848 W854 E855 N856D848-Q852 WeakPolarHBondContact O-CG 3.27Å; D848-Q852 PolarHBondContact O-N 3.26Å; Q852-W854 VanDerWaalsContact C-N 3.33Å; Q852-W854 PolarHBondContact O-N 2.72Å; Q852-E855 PolarHBondContact O-N 3.12Å; Q852-N856 WeakPolarHBondContact O-CB 3.34Å; Q852-N856 PolarHBondContact O-N 3.07Å; Q852-N856 VanDerWaalsContact O-N 3.08Å; Q852-N856 PolarHBondContact O-ND2 3.18Å
853R73.4Confident72.5Confident66 Ų6687.3 Ų87.325%0.24945%0.447CS..Hα-helixtrans-60.5-37.2174.5-78.1168.5178.2165.40113.5E750 M754 R849 K851E750-R853 HydrophobicContact CG-CG 4.31Å; E750-R853 IonicContact OE1-CZ 3.61Å; E750-R853 IonicContact OE1-NE 2.73Å; E750-R853 PolarHBondContact OE1-NE 2.87Å; E750-R853 IonicContact OE1-NH2 2.71Å; E750-R853 PolarHBondContact OE1-NH2 3.11Å; M754-R853 VanDerWaalsContact CG-NH2 3.32Å; M754-R853 PolarHBondContact SD-NH1 3.07Å; M754-R853 VanDerWaalsContact SD-NH1 3.43Å; R849-R853 VanDerWaalsContact O-CG 3.32Å; R849-R853 WeakPolarHBondContact O-CG 3.29Å; R849-R853 PolarHBondContact O-N 3.4Å; R849-R853 VanDerWaalsContact O-N 3.13Å; K851-R853 PolarHBondContact O-N 3.38Å; K851-R853 VanDerWaalsContact O-N 3.16Å
854W70.4Confident73.1Confident200 Ų20090.7 Ų90.776%0.75846%0.458SS*.Hα-helixtrans-80.8-39.8178-64.6109.5000112K851 Q852 N856 I857K851-W854 PolarHBondContact O-N 3.49Å; Q852-W854 VanDerWaalsContact C-N 3.33Å; Q852-W854 PolarHBondContact O-N 2.72Å; W854-N856 PolarHBondContact O-N 3.32Å; W854-I857 PolarHBondContact O-N 3.05Å; W854-I857 VanDerWaalsContact O-N 3.08Å
855E72.4Confident73.7Confident142 Ų14292.1 Ų92.166%0.66447%0.467SS*.Hα-helixtrans-59.4-26.5174.6-66.5163.4-17700112.6K851 Q852 I857K851-E855 PolarHBondContact O-N 3.41Å; K851-E855 VanDerWaalsContact O-N 3.14Å; Q852-E855 PolarHBondContact O-N 3.12Å; E855-I857 PolarHBondContact O-N 3.46Å
856N71.5Confident74.3Confident71 Ų7187.7 Ų87.738%0.3845%0.447SS..THydrogen-bonded Turntrans-72.5-0.5175.3-94.3-81.9000115.3R728 W746 Q852 W854R728-N856 PolarHBondContact NH1-OD1 3.19Å; W746-N856 HydrophobicContact CH2-CB 4.02Å; W746-N856 HydrophobicContact CZ2-CB 3.66Å; Q852-N856 WeakPolarHBondContact O-CB 3.34Å; Q852-N856 PolarHBondContact O-N 3.07Å; Q852-N856 VanDerWaalsContact O-N 3.08Å; Q852-N856 PolarHBondContact O-ND2 3.18Å; W854-N856 PolarHBondContact O-N 3.32Å
857I78.9Confident75.3Confident47 Ų4789.8 Ų89.824%0.24145%0.453CS..  trans-112.288.8176.4-54.8-179.2000108.9W746 W854 E855 E862 A863W746-I857 HydrophobicContact CH2-CD1 4.38Å; W746-I857 HydrophobicContact CH2-CG1 4.04Å; W746-I857 HydrophobicContact CZ3-CD1 4.33Å; W746-I857 HydrophobicContact CZ3-CG1 4.06Å; W854-I857 PolarHBondContact O-N 3.05Å; W854-I857 VanDerWaalsContact O-N 3.08Å; E855-I857 PolarHBondContact O-N 3.46Å; I857-E862 HydrophobicContact CG2-CB 4.09Å; I857-A863 HydrophobicContact CG2-CB 3.91Å
858A76.6Confident76.7Confident90 Ų9089.8 Ų89.874%0.74445%0.451SS*.  trans-79.8-20.6-171.500000114.3E862A858-E862 PolarHBondContact N-OE2 3.08Å
859T82.1Confident77.9Confident66 Ų6688 Ų8841%0.40544%0.438SS..SBendtrans-132.2152-17469.40000114.6L861 E862 A863T859-L861 PolarHBondContact O-N 2.97Å; T859-E862 WeakPolarHBondContact CB-OE2 3.47Å; T859-E862 PolarHBondContact N-OE2 2.97Å; T859-E862 PolarHBondContact O-N 3.11Å; T859-E862 VanDerWaalsContact O-N 3.15Å; T859-E862 VanDerWaalsContact OG1-CD 3.28Å; T859-E862 VanDerWaalsContact OG1-CG 3.22Å; T859-E862 WeakPolarHBondContact OG1-CG 3.38Å; T859-E862 PolarHBondContact OG1-N 3.02Å; T859-E862 PolarHBondContact OG1-OE2 3.49Å; T859-A863 PolarHBondContact O-N 3.2Å
860I81.4Confident79Confident156 Ų15689.2 Ų89.280%0.845%0.447SS*.Hα-helixtrans-59.7-30.2173.7-60.1174.2000111.4K864I860-K864 WeakPolarHBondContact O-CB 3.45Å; I860-K864 PolarHBondContact O-N 3.09Å
861L80.6Confident80.1Confident94 Ų9491 Ų9149%0.49245%0.452SS..Hα-helixtrans-67.1-46175.9-172.168.4000111.2T859 K864 C865T859-L861 PolarHBondContact O-N 2.97Å; L861-K864 PolarHBondContact O-N 3.01Å; L861-C865 PolarHBondContact O-N 3.31Å; L861-C865 PolarHBondContact O-SG 3.41Å
862E82.9Confident81.1Confident30 Ų3087.5 Ų87.514%0.1445%0.449CS..Hα-helixtrans-64.1-42.1175.8-69.8163.8130.300111.5T739 V743 I857 A858 T859 K864 C865 A866T739-E862 HydrophobicContact CG2-CG 3.54Å; V743-E862 HydrophobicContact CG2-CB 3.83Å; V743-E862 HydrophobicContact CG2-CG 3.72Å; I857-E862 HydrophobicContact CG2-CB 4.09Å; A858-E862 PolarHBondContact N-OE2 3.08Å; T859-E862 WeakPolarHBondContact CB-OE2 3.47Å; T859-E862 PolarHBondContact N-OE2 2.97Å; T859-E862 PolarHBondContact O-N 3.11Å; T859-E862 VanDerWaalsContact O-N 3.15Å; T859-E862 VanDerWaalsContact OG1-CD 3.28Å; T859-E862 VanDerWaalsContact OG1-CG 3.22Å; T859-E862 WeakPolarHBondContact OG1-CG 3.38Å; T859-E862 PolarHBondContact OG1-N 3.02Å; T859-E862 PolarHBondContact OG1-OE2 3.49Å; E862-K864 VanDerWaalsContact C-N 3.34Å; E862-K864 PolarHBondContact O-N 3.37Å; E862-C865 PolarHBondContact O-N 2.91Å; E862-A866 WeakPolarHBondContact O-CB 3.42Å; E862-A866 PolarHBondContact O-N 3.14Å
863A84.6Confident82Confident33 Ų3386.4 Ų86.427%0.27344%0.443SS..Hα-helixtrans-58.2-43.8173.800000112.1I857 T859 C865 A866 L867I857-A863 HydrophobicContact CG2-CB 3.91Å; T859-A863 PolarHBondContact O-N 3.2Å; A863-C865 PolarHBondContact O-N 2.89Å; A863-A866 PolarHBondContact O-N 3.44Å; A863-L867 WeakPolarHBondContact O-CB 3.32Å; A863-L867 WeakPolarHBondContact O-CG 3.42Å; A863-L867 PolarHBondContact O-N 3.4Å
864K84.3Confident82.8Confident157 Ų15789 Ų8968%0.68346%0.462SS*.Hα-helixtrans-65.5-37.1176.4-171.6173.5-177.9175.70112.5I860 L861 E862 K868I860-K864 WeakPolarHBondContact O-CB 3.45Å; I860-K864 PolarHBondContact O-N 3.09Å; L861-K864 PolarHBondContact O-N 3.01Å; E862-K864 VanDerWaalsContact C-N 3.34Å; E862-K864 PolarHBondContact O-N 3.37Å; K864-K868 WeakPolarHBondContact O-CB 3.32Å; K864-K868 PolarHBondContact O-N 3.49Å
865C84.2Confident83.8Confident36 Ų3683.4 Ų83.424%0.24345%0.449CS..Hα-helixtrans-67.3-44172.8-74.50000112.3V743 L861 E862 A863 K868 Y869V743-C865 HydrophobicContact CB-CB 4.35Å; V743-C865 HydrophobicContact CG1-CB 4.2Å; L861-C865 PolarHBondContact O-N 3.31Å; L861-C865 PolarHBondContact O-SG 3.41Å; E862-C865 PolarHBondContact O-N 2.91Å; A863-C865 PolarHBondContact O-N 2.89Å; C865-K868 PolarHBondContact O-N 3.35Å; C865-Y869 PolarHBondContact O-N 3.4Å; C865-Y869 VanDerWaalsContact O-N 3.07Å
866A84.7Confident84.6Confident6 Ų678.8 Ų78.85%0.0543%0.433CS..Hα-helixtrans-60.7-51.9177.800000111.4V743 L747 E862 A863 K868 Y869 L870V743-A866 HydrophobicContact CG1-CB 3.83Å; L747-A866 HydrophobicContact CD2-CB 3.78Å; E862-A866 WeakPolarHBondContact O-CB 3.42Å; E862-A866 PolarHBondContact O-N 3.14Å; A863-A866 PolarHBondContact O-N 3.44Å; A866-K868 PolarHBondContact O-N 3.38Å; A866-Y869 PolarHBondContact O-N 3.39Å; A866-L870 WeakPolarHBondContact O-CG 3.4Å; A866-L870 PolarHBondContact O-N 3.33Å
867L87.6Confident85.4Confident107 Ų10778.4 Ų78.456%0.5644%0.436SS*.Hα-helixtrans-59.4-43.2178.2-71.3169.8000112.3A863 Y869 L870 I871A863-L867 WeakPolarHBondContact O-CB 3.32Å; A863-L867 WeakPolarHBondContact O-CG 3.42Å; A863-L867 PolarHBondContact O-N 3.4Å; L867-Y869 VanDerWaalsContact C-N 3.25Å; L867-Y869 PolarHBondContact O-N 3.02Å; L867-L870 PolarHBondContact O-N 2.96Å; L867-I871 WeakPolarHBondContact O-CD1 3.47Å; L867-I871 VanDerWaalsContact O-CG1 3.29Å; L867-I871 WeakPolarHBondContact O-CG1 3.49Å; L867-I871 PolarHBondContact O-N 3.12Å
868K86.8Confident86.1Confident175 Ų17583.8 Ų83.876%0.76146%0.457SS*.Hα-helixtrans-61.2-35.3175.7-175.9175.8178.5-178.30112K864 C865 A866 G872K864-K868 WeakPolarHBondContact O-CB 3.32Å; K864-K868 PolarHBondContact O-N 3.49Å; C865-K868 PolarHBondContact O-N 3.35Å; A866-K868 PolarHBondContact O-N 3.38Å; K868-G872 PolarHBondContact O-N 3.46Å
869Y86.6Confident86.8Confident45 Ų4583.8 Ų83.818%0.17644%0.444CS..Hα-helixtrans-73.7-47.5177.5-175.7-132.9000112.3K744 L747 C865 A866 L867 I871 G872 E873K744-Y869 HydrophobicContact CB-CD1 4.42Å; K744-Y869 HydrophobicContact CD-CD2 4.31Å; K744-Y869 HydrophobicContact CD-CE2 4.08Å; K744-Y869 HydrophobicContact CG-CD1 3.86Å; K744-Y869 HydrophobicContact CG-CD2 3.88Å; K744-Y869 HydrophobicContact CG-CE1 3.7Å; K744-Y869 HydrophobicContact CG-CE2 3.76Å; K744-Y869 HydrophobicContact CG-CG 3.97Å; L747-Y869 HydrophobicContact CB-CD1 4.29Å; L747-Y869 HydrophobicContact CD2-CD1 4.25Å; L747-Y869 HydrophobicContact CG-CD1 4.42Å; C865-Y869 PolarHBondContact O-N 3.4Å; C865-Y869 VanDerWaalsContact O-N 3.07Å; A866-Y869 PolarHBondContact O-N 3.39Å; L867-Y869 VanDerWaalsContact C-N 3.25Å; L867-Y869 PolarHBondContact O-N 3.02Å; Y869-I871 VanDerWaalsContact C-N 3.33Å; Y869-I871 PolarHBondContact O-N 3.49Å; Y869-G872 WeakPolarHBondContact O-CA 3.39Å; Y869-G872 PolarHBondContact O-N 3.01Å; Y869-E873 HydrophobicContact CD2-CG 4.04Å; Y869-E873 HydrophobicContact CE1-CG 4.24Å; Y869-E873 HydrophobicContact CE2-CG 3.38Å; Y869-E873 WeakPolarHBondContact CE2-OE1 3.38Å; Y869-E873 VanDerWaalsContact CZ-CG 3.48Å; Y869-E873 PolarHBondContact O-N 3.38Å; Y869-E873 PolarHBondContact OH-OE1 3.43Å
870L88.1Confident87.2Confident70 Ų7086.1 Ų86.137%0.36645%0.45SS..Hα-helixtrans-57.9-42178.5-68.9172.8000112.7L747 I751 A866 L867 G872 E873 L874L747-L870 HydrophobicContact CD1-CD2 4.37Å; L747-L870 HydrophobicContact CD2-CD1 4.17Å; L747-L870 HydrophobicContact CD2-CD2 3.82Å; L747-L870 HydrophobicContact CD2-CG 3.75Å; L747-L870 HydrophobicContact CG-CD2 4.08Å; I751-L870 HydrophobicContact CD1-CD2 3.89Å; A866-L870 WeakPolarHBondContact O-CG 3.4Å; A866-L870 PolarHBondContact O-N 3.33Å; L867-L870 PolarHBondContact O-N 2.96Å; L870-G872 VanDerWaalsContact C-N 3.3Å; L870-G872 PolarHBondContact O-N 3.49Å; L870-E873 PolarHBondContact O-N 3.31Å; L870-L874 WeakPolarHBondContact O-CB 3.4Å; L870-L874 PolarHBondContact O-N 3.43Å
871I89.8Confident87.6Confident108 Ų10881.8 Ų81.855%0.55443%0.431SS*.Hα-helixtrans-63.1-39176.7-67.3165.7000110.9L867 Y869 V875L867-I871 WeakPolarHBondContact O-CD1 3.47Å; L867-I871 VanDerWaalsContact O-CG1 3.29Å; L867-I871 WeakPolarHBondContact O-CG1 3.49Å; L867-I871 PolarHBondContact O-N 3.12Å; Y869-I871 VanDerWaalsContact C-N 3.33Å; Y869-I871 PolarHBondContact O-N 3.49Å; I871-V875 VanDerWaalsContact O-CG2 3.3Å; I871-V875 WeakPolarHBondContact O-CG2 3.32Å; I871-V875 PolarHBondContact O-N 2.7Å; I871-V875 VanDerWaalsContact O-N 3.12Å
872G88.4Confident88.2Confident41 Ų4180.7 Ų80.742%0.42343%0.431SS..Hα-helixtrans-64.1-49.3176.600000112.9K868 Y869 L870 V875 S876K868-G872 PolarHBondContact O-N 3.46Å; Y869-G872 WeakPolarHBondContact O-CA 3.39Å; Y869-G872 PolarHBondContact O-N 3.01Å; L870-G872 VanDerWaalsContact C-N 3.3Å; L870-G872 PolarHBondContact O-N 3.49Å; G872-V875 PolarHBondContact O-N 3.23Å; G872-S876 WeakPolarHBondContact O-CB 3.17Å; G872-S876 PolarHBondContact O-N 3.27Å
873E86.8Confident88.5Confident75 Ų7585.7 Ų85.735%0.3545%0.452SS..Hα-helixtrans-69.7-35.2179.5-64.5-64178.700112.6Y869 L870 V875 S876 S877Y869-E873 HydrophobicContact CD2-CG 4.04Å; Y869-E873 HydrophobicContact CE1-CG 4.24Å; Y869-E873 HydrophobicContact CE2-CG 3.38Å; Y869-E873 WeakPolarHBondContact CE2-OE1 3.38Å; Y869-E873 VanDerWaalsContact CZ-CG 3.48Å; Y869-E873 PolarHBondContact O-N 3.38Å; Y869-E873 PolarHBondContact OH-OE1 3.43Å; L870-E873 PolarHBondContact O-N 3.31Å; E873-V875 PolarHBondContact O-N 3.02Å; E873-S876 PolarHBondContact O-N 3.42Å; E873-S877 WeakPolarHBondContact O-CB 3.26Å; E873-S877 PolarHBondContact O-N 3.1Å
874L89.4Confident88.9Confident121 Ų12189.9 Ų89.963%0.63447%0.47SS*.Hα-helixtrans-62.1-43174.3179.161.8000111.9L870 K878L870-L874 WeakPolarHBondContact O-CB 3.4Å; L870-L874 PolarHBondContact O-N 3.43Å; L874-K878 VanDerWaalsContact O-CB 3.3Å; L874-K878 WeakPolarHBondContact O-CB 3.37Å; L874-K878 PolarHBondContact O-N 2.61Å
875V92Very high89.2Confident81 Ų8188.1 Ų88.149%0.49146%0.464SS..Hα-helixtrans-67.9-44.3175.8170.30000110.9I871 G872 E873 K878 I879I871-V875 VanDerWaalsContact O-CG2 3.3Å; I871-V875 WeakPolarHBondContact O-CG2 3.32Å; I871-V875 PolarHBondContact O-N 2.7Å; I871-V875 VanDerWaalsContact O-N 3.12Å; G872-V875 PolarHBondContact O-N 3.23Å; E873-V875 PolarHBondContact O-N 3.02Å; V875-K878 PolarHBondContact O-N 3.12Å; V875-I879 HydrophobicContact CG1-CD1 3.82Å; V875-I879 WeakPolarHBondContact O-CD1 3.37Å; V875-I879 VanDerWaalsContact O-CG1 3.28Å; V875-I879 WeakPolarHBondContact O-CG1 3.36Å; V875-I879 PolarHBondContact O-N 3.26Å
876S89.1Confident89.5Confident46 Ų4689.8 Ų89.832%0.32248%0.476SS..Hα-helixtrans-56.2-53.1175.4-178.90000111.6G872 E873 K878 I879 Q880G872-S876 WeakPolarHBondContact O-CB 3.17Å; G872-S876 PolarHBondContact O-N 3.27Å; E873-S876 PolarHBondContact O-N 3.42Å; S876-K878 PolarHBondContact O-N 3.17Å; S876-I879 PolarHBondContact O-N 3.28Å; S876-Q880 WeakPolarHBondContact O-CG 3.42Å; S876-Q880 PolarHBondContact O-N 3.34Å
877S89Confident89.7Confident63 Ų6392.6 Ų92.644%0.44150%0.495SS..Hα-helixtrans-59.1-47.8178.3178.40000111.7E873 I879 Q880 V881E873-S877 WeakPolarHBondContact O-CB 3.26Å; E873-S877 PolarHBondContact O-N 3.1Å; S877-I879 VanDerWaalsContact C-N 3.3Å; S877-I879 PolarHBondContact O-N 3.08Å; S877-Q880 PolarHBondContact O-N 2.98Å; S877-V881 WeakPolarHBondContact O-CG2 3.39Å; S877-V881 PolarHBondContact O-N 3.09Å
878K92.8Very high89.9Confident159 Ų15992 Ų9269%0.69149%0.492SS*.Hα-helixtrans-62.9-34.1179.6-166.9169.3-174.8174.50113.1L874 V875 S876 S882L874-K878 VanDerWaalsContact O-CB 3.3Å; L874-K878 WeakPolarHBondContact O-CB 3.37Å; L874-K878 PolarHBondContact O-N 2.61Å; V875-K878 PolarHBondContact O-N 3.12Å; S876-K878 PolarHBondContact O-N 3.17Å; K878-S882 WeakPolarHBondContact O-CB 3.32Å; K878-S882 PolarHBondContact O-N 3.17Å; K878-S882 VanDerWaalsContact O-N 3.07Å
879I92.4Very high90.1Very high90 Ų9091 Ų9146%0.46249%0.488SS..Hα-helixtrans-68.4-39.2172.9-68.9165.8000111.2V875 S876 S877 K883V875-I879 HydrophobicContact CG1-CD1 3.82Å; V875-I879 WeakPolarHBondContact O-CD1 3.37Å; V875-I879 VanDerWaalsContact O-CG1 3.28Å; V875-I879 WeakPolarHBondContact O-CG1 3.36Å; V875-I879 PolarHBondContact O-N 3.26Å; S876-I879 PolarHBondContact O-N 3.28Å; S877-I879 VanDerWaalsContact C-N 3.3Å; S877-I879 PolarHBondContact O-N 3.08Å; I879-K883 WeakPolarHBondContact O-CG 3.46Å; I879-K883 PolarHBondContact O-N 3.39Å
880Q90.4Very high90.3Very high115 Ų11595.7 Ų95.754%0.53751%0.511SS..Hα-helixtrans-67.7-46176.3-68.6179.324.900111.9S876 S877 S882 K883 L884S876-Q880 WeakPolarHBondContact O-CG 3.42Å; S876-Q880 PolarHBondContact O-N 3.34Å; S877-Q880 PolarHBondContact O-N 2.98Å; Q880-S882 PolarHBondContact O-N 3.37Å; Q880-K883 PolarHBondContact O-N 3.3Å; Q880-L884 WeakPolarHBondContact O-CG 3.44Å; Q880-L884 PolarHBondContact O-N 3.27Å
881V89.9Confident90Very high66 Ų6695.9 Ų95.940%0.452%0.519SS..Hα-helixtrans-56.5-49.3175.3171.20000110.6S877 K883 L884 E885S877-V881 WeakPolarHBondContact O-CG2 3.39Å; S877-V881 PolarHBondContact O-N 3.09Å; V881-K883 VanDerWaalsContact C-N 3.29Å; V881-K883 PolarHBondContact O-N 2.94Å; V881-L884 CarbonylContact O-C 3.58Å; V881-L884 PolarHBondContact O-N 3.3Å; V881-E885 HydrophobicContact CG1-CG 4.16Å; V881-E885 WeakPolarHBondContact O-CG 3.15Å; V881-E885 PolarHBondContact O-N 3.35Å
882S91.9Very high90Very high71 Ų7197.2 Ų97.250%0.49752%0.52SS..Hα-helixtrans-60.8-34.9179.4-1750000113.5K878 Q880 S886K878-S882 WeakPolarHBondContact O-CB 3.32Å; K878-S882 PolarHBondContact O-N 3.17Å; K878-S882 VanDerWaalsContact O-N 3.07Å; Q880-S882 PolarHBondContact O-N 3.37Å; S882-S886 PolarHBondContact O-N 3.48Å; S882-S886 VanDerWaalsContact O-N 3.1Å
883K90.5Very high90.1Very high134 Ų13498.8 Ų98.858%0.58352%0.522SS*.Hα-helixtrans-68.6-39.8172.1-72.3174.4178.8-176.90112.6I879 Q880 V881 S886 S887I879-K883 WeakPolarHBondContact O-CG 3.46Å; I879-K883 PolarHBondContact O-N 3.39Å; Q880-K883 PolarHBondContact O-N 3.3Å; V881-K883 VanDerWaalsContact C-N 3.29Å; V881-K883 PolarHBondContact O-N 2.94Å; K883-S886 PolarHBondContact O-OG 3.21Å; K883-S887 WeakPolarHBondContact O-CB 3.48Å; K883-S887 PolarHBondContact O-N 3.04Å; K883-S887 PolarHBondContact O-OG 3.44Å
884L91.3Very high90.1Very high122 Ų12298.1 Ų98.164%0.63953%0.525SS*.Hα-helixtrans-69.1-38.5176.8-69.2170.8000111.5Q880 V881 S887 L888Q880-L884 WeakPolarHBondContact O-CG 3.44Å; Q880-L884 PolarHBondContact O-N 3.27Å; V881-L884 CarbonylContact O-C 3.58Å; V881-L884 PolarHBondContact O-N 3.3Å; L884-S887 PolarHBondContact O-N 3.04Å; L884-L888 WeakPolarHBondContact O-CB 3.31Å; L884-L888 PolarHBondContact O-N 2.92Å
885E91.3Very high89.8Confident119 Ų11995.5 Ų95.556%0.55652%0.516SS*.Hα-helixtrans-61.7-44.1173.6-72.8173.3155.500111.9V881 L888 K889V881-E885 HydrophobicContact CG1-CG 4.16Å; V881-E885 WeakPolarHBondContact O-CG 3.15Å; V881-E885 PolarHBondContact O-N 3.35Å; E885-L888 PolarHBondContact O-N 3.42Å; E885-K889 WeakPolarHBondContact O-CB 3.37Å; E885-K889 PolarHBondContact O-N 3.47Å
886S89.9Confident89.7Confident72 Ų7294 Ų9450%0.50351%0.513SS..Hα-helixtrans-66-42.3176.670.30000112S882 K883 K889 Q890S882-S886 PolarHBondContact O-N 3.48Å; S882-S886 VanDerWaalsContact O-N 3.1Å; K883-S886 PolarHBondContact O-OG 3.21Å; S886-K889 PolarHBondContact O-N 2.75Å; S886-Q890 PolarHBondContact O-N 3.41Å
887S90.4Very high89.7Confident65 Ų6596.8 Ų96.846%0.45552%0.524SS..Hα-helixtrans-64.4-41.4176.1-53.40000111.9K883 L884 Q890 S891K883-S887 WeakPolarHBondContact O-CB 3.48Å; K883-S887 PolarHBondContact O-N 3.04Å; K883-S887 PolarHBondContact O-OG 3.44Å; L884-S887 PolarHBondContact O-N 3.04Å; S887-Q890 PolarHBondContact O-N 2.95Å; S887-S891 WeakPolarHBondContact O-CB 3.39Å; S887-S891 PolarHBondContact O-N 3.02Å
888L90.8Very high89.3Confident93 Ų9399.3 Ų99.349%0.48753%0.53SS..Hα-helixtrans-65.4-38.7175.1179.662000111.4L884 E885 S891 K892L884-L888 WeakPolarHBondContact O-CB 3.31Å; L884-L888 PolarHBondContact O-N 2.92Å; E885-L888 PolarHBondContact O-N 3.42Å; L888-S891 PolarHBondContact O-N 3.45Å; L888-K892 HydrophobicContact CD1-CD 4.45Å; L888-K892 HydrophobicContact CD1-CG 4.39Å; L888-K892 HydrophobicContact CG-CD 4.29Å; L888-K892 WeakPolarHBondContact O-CB 3.38Å; L888-K892 VanDerWaalsContact O-CG 3.31Å; L888-K892 WeakPolarHBondContact O-CG 3.3Å; L888-K892 PolarHBondContact O-N 2.96Å
889K91.9Very high88.9Confident156 Ų15697.8 Ų97.868%0.67853%0.525SS*.Hα-helixtrans-63.9-45.1175.3-170.3175.1-178.9179.50111.2E885 S886 K892 T893E885-K889 WeakPolarHBondContact O-CB 3.37Å; E885-K889 PolarHBondContact O-N 3.47Å; S886-K889 PolarHBondContact O-N 2.75Å; K889-K892 PolarHBondContact O-N 3.36Å; K889-T893 PolarHBondContact O-N 3.25Å; K889-T893 PolarHBondContact O-OG1 3.37Å
890Q90.9Very high88.8Confident142 Ų14299.2 Ų99.266%0.66453%0.528SS*.Hα-helixtrans-63.6-40.4175.1-174.6-179.53.700112.4S886 S887 K892 T893 S894S886-Q890 PolarHBondContact O-N 3.41Å; S887-Q890 PolarHBondContact O-N 2.95Å; Q890-K892 VanDerWaalsContact C-N 3.34Å; Q890-T893 PolarHBondContact O-OG1 2.87Å; Q890-S894 WeakPolarHBondContact O-CB 3.45Å; Q890-S894 PolarHBondContact O-N 3.3Å
891S81.5Confident88.7Confident75 Ų7598.3 Ų98.352%0.52453%0.526SS..Hα-helixtrans-67.8-34175.4-170.60000112.3S887 L888 C895S887-S891 WeakPolarHBondContact O-CB 3.39Å; S887-S891 PolarHBondContact O-N 3.02Å; L888-S891 PolarHBondContact O-N 3.45Å; S891-C895 VanDerWaalsContact O-CB 3.28Å; S891-C895 WeakPolarHBondContact O-CB 3.33Å; S891-C895 PolarHBondContact O-N 2.93Å
892K90.5Very high88.1Confident136 Ų13699.5 Ų99.559%0.59153%0.53SS*.Hα-helixtrans-69.5-41.8175.6-80.9177.4175.7-176.80112.2L888 K889 Q890 C895 A896L888-K892 HydrophobicContact CD1-CD 4.45Å; L888-K892 HydrophobicContact CD1-CG 4.39Å; L888-K892 HydrophobicContact CG-CD 4.29Å; L888-K892 WeakPolarHBondContact O-CB 3.38Å; L888-K892 VanDerWaalsContact O-CG 3.31Å; L888-K892 WeakPolarHBondContact O-CG 3.3Å; L888-K892 PolarHBondContact O-N 2.96Å; K889-K892 PolarHBondContact O-N 3.36Å; Q890-K892 VanDerWaalsContact C-N 3.34Å; K892-C895 PolarHBondContact O-N 3Å; K892-A896 PolarHBondContact O-N 3.07Å
893T90.3Very high87.9Confident73 Ų73102.2 Ų102.245%0.44853%0.533SS..Hα-helixtrans-63.6-49.1173.852.10000110.6K889 Q890 C895 A896 D897K889-T893 PolarHBondContact O-N 3.25Å; K889-T893 PolarHBondContact O-OG1 3.37Å; Q890-T893 PolarHBondContact O-OG1 2.87Å; T893-C895 VanDerWaalsContact C-N 3.26Å; T893-C895 PolarHBondContact O-N 3.27Å; T893-A896 WeakPolarHBondContact O-CA 3.5Å; T893-A896 WeakPolarHBondContact O-CB 3.43Å; T893-A896 PolarHBondContact O-N 3.26Å; T893-D897 PolarHBondContact O-N 3.42Å; T893-D897 VanDerWaalsContact O-OD2 3.06Å
894S86.8Confident87.8Confident62 Ų62100.2 Ų100.243%0.43453%0.526SS..Hα-helixtrans-59.4-34.2177.4179.70000113.4Q890 M898Q890-S894 WeakPolarHBondContact O-CB 3.45Å; Q890-S894 PolarHBondContact O-N 3.3Å; S894-M898 WeakPolarHBondContact O-CB 3.4Å; S894-M898 PolarHBondContact O-N 2.86Å
895C82.4Confident87.4Confident65 Ų6599 Ų9944%0.43952%0.517SS..Hα-helixtrans-69.2-37.4173-172.20000112.6S891 K892 T893 M898 Q899S891-C895 VanDerWaalsContact O-CB 3.28Å; S891-C895 WeakPolarHBondContact O-CB 3.33Å; S891-C895 PolarHBondContact O-N 2.93Å; K892-C895 PolarHBondContact O-N 3Å; T893-C895 VanDerWaalsContact C-N 3.26Å; T893-C895 PolarHBondContact O-N 3.27Å; C895-M898 PolarHBondContact O-N 2.99Å; C895-Q899 WeakPolarHBondContact O-CB 3.34Å; C895-Q899 VanDerWaalsContact O-CG 3.32Å; C895-Q899 WeakPolarHBondContact O-CG 3.38Å; C895-Q899 PolarHBondContact O-N 3.48Å
896A89.3Confident87Confident50 Ų50102 Ų10241%0.41352%0.523SS..Hα-helixtrans-68.6-42175.400000111.6K892 T893 M898 Q899 K900K892-A896 PolarHBondContact O-N 3.07Å; T893-A896 WeakPolarHBondContact O-CA 3.5Å; T893-A896 WeakPolarHBondContact O-CB 3.43Å; T893-A896 PolarHBondContact O-N 3.26Å; A896-M898 VanDerWaalsContact C-N 3.31Å; A896-M898 PolarHBondContact O-N 2.85Å; A896-Q899 PolarHBondContact O-N 3.1Å; A896-K900 WeakPolarHBondContact O-CB 3.43Å; A896-K900 PolarHBondContact O-N 2.99Å
897D88.6Confident86.8Confident104 Ų104101.8 Ų101.856%0.55652%0.516SS*.Hα-helixtrans-59.5-43.4174-58.5-38.7000110.8T893 K900 L901T893-D897 PolarHBondContact O-N 3.42Å; T893-D897 VanDerWaalsContact O-OD2 3.06Å; D897-K900 PolarHBondContact O-N 3.26Å; D897-L901 PolarHBondContact O-N 2.89Å
898M80.8Confident86.6Confident117 Ų117103.2 Ų103.258%0.57652%0.516SS*.Hα-helixtrans-69.6-35.7177-168.6175.8-65.600112.9S894 C895 A896 L902S894-M898 WeakPolarHBondContact O-CB 3.4Å; S894-M898 PolarHBondContact O-N 2.86Å; C895-M898 PolarHBondContact O-N 2.99Å; A896-M898 VanDerWaalsContact C-N 3.31Å; A896-M898 PolarHBondContact O-N 2.85Å; M898-L902 HydrophobicContact CG-CD1 4.31Å; M898-L902 WeakPolarHBondContact O-CB 3.15Å; M898-L902 VanDerWaalsContact O-CG 3.26Å; M898-L902 WeakPolarHBondContact O-CG 3.47Å; M898-L902 PolarHBondContact O-N 2.74Å
899Q84.7Confident85.9Confident127 Ų127105.2 Ų105.259%0.59352%0.521SS*.Hα-helixtrans-66.3-38.8172.3-79.5177.7-10.300112.1C895 A896 L902 F903C895-Q899 WeakPolarHBondContact O-CB 3.34Å; C895-Q899 VanDerWaalsContact O-CG 3.32Å; C895-Q899 WeakPolarHBondContact O-CG 3.38Å; C895-Q899 PolarHBondContact O-N 3.48Å; A896-Q899 PolarHBondContact O-N 3.1Å; Q899-L902 PolarHBondContact O-N 3.35Å; Q899-F903 PolarHBondContact O-N 3.32Å
900K90.7Very high85.6Confident120 Ų120100.1 Ų100.152%0.52251%0.508SS..Hα-helixtrans-62.9-47.6174.3-178.2175.5177.8-67.40111.1A896 D897 L902 F903 E904A896-K900 WeakPolarHBondContact O-CB 3.43Å; A896-K900 PolarHBondContact O-N 2.99Å; D897-K900 PolarHBondContact O-N 3.26Å; K900-L902 PolarHBondContact O-N 3.06Å; K900-F903 WeakPolarHBondContact O-CB 3.45Å; K900-F903 PolarHBondContact O-N 2.84Å; K900-F903 VanDerWaalsContact O-N 3.07Å; K900-E904 WeakPolarHBondContact CE-OE1 3.32Å; K900-E904 IonicContact NZ-OE1 2.77Å; K900-E904 PolarHBondContact NZ-OE1 3.45Å; K900-E904 IonicContact NZ-OE2 2.59Å; K900-E904 WeakPolarHBondContact O-CG 3.26Å; K900-E904 PolarHBondContact O-N 2.73Å
901L87.4Confident85.5Confident95 Ų9598.4 Ų98.450%0.49750%0.5SS..Hα-helixtrans-63.2-39.4176.4-168.3150.1000111.9D897 F903 E904 E905D897-L901 PolarHBondContact O-N 2.89Å; L901-F903 VanDerWaalsContact C-N 3.26Å; L901-F903 PolarHBondContact O-N 2.67Å; L901-E904 PolarHBondContact O-N 2.7Å; L901-E905 HydrophobicContact CD2-CG 3.86Å; L901-E905 WeakPolarHBondContact O-CB 3.36Å; L901-E905 VanDerWaalsContact O-CG 3.32Å; L901-E905 WeakPolarHBondContact O-CG 3.43Å; L901-E905 PolarHBondContact O-N 2.7Å
902L78.3Confident85.6Confident92 Ų9297.9 Ų97.948%0.48249%0.49SS..Hα-helixtrans-67-23.3173.3-75.5166.8000113.7M898 Q899 K900 R906M898-L902 HydrophobicContact CG-CD1 4.31Å; M898-L902 WeakPolarHBondContact O-CB 3.15Å; M898-L902 VanDerWaalsContact O-CG 3.26Å; M898-L902 WeakPolarHBondContact O-CG 3.47Å; M898-L902 PolarHBondContact O-N 2.74Å; Q899-L902 PolarHBondContact O-N 3.35Å; K900-L902 PolarHBondContact O-N 3.06Å; L902-R906 WeakPolarHBondContact O-CB 3.4Å; L902-R906 WeakPolarHBondContact O-CD 3.37Å; L902-R906 WeakPolarHBondContact O-CG 3.37Å; L902-R906 PolarHBondContact O-N 2.94Å
903F87.5Confident85.1Confident128 Ų12898.1 Ų98.156%0.56149%0.494SS*.Hα-helixtrans-78.9-42.3171.8-179.7-103.2000111.1Q899 K900 L901 R906 N907Q899-F903 PolarHBondContact O-N 3.32Å; K900-F903 WeakPolarHBondContact O-CB 3.45Å; K900-F903 PolarHBondContact O-N 2.84Å; K900-F903 VanDerWaalsContact O-N 3.07Å; L901-F903 VanDerWaalsContact C-N 3.26Å; L901-F903 PolarHBondContact O-N 2.67Å; F903-R906 PolarHBondContact O-N 3.35Å; F903-N907 WeakPolarHBondContact CE1-ND2 3.32Å; F903-N907 PolarHBondContact O-N 3.36Å; F903-N907 PolarHBondContact O-ND2 3.47Å; F903-N907 PolarHBondContact O-OD1 3.22Å
904E88.9Confident84.9Confident92 Ų9299.1 Ų99.143%0.4350%0.5SS..Hα-helixtrans-61.2-48.2175.2-71.1165.4166.700111.5K900 L901 R906 N907 H908K900-E904 WeakPolarHBondContact CE-OE1 3.32Å; K900-E904 IonicContact NZ-OE1 2.77Å; K900-E904 PolarHBondContact NZ-OE1 3.45Å; K900-E904 IonicContact NZ-OE2 2.59Å; K900-E904 WeakPolarHBondContact O-CG 3.26Å; K900-E904 PolarHBondContact O-N 2.73Å; L901-E904 PolarHBondContact O-N 2.7Å; E904-R906 PolarHBondContact O-N 3.09Å; E904-N907 PolarHBondContact O-N 3.46Å; E904-H908 PolarHBondContact O-N 2.97Å
905E81.7Confident84.8Confident96 Ų96102.7 Ų102.745%0.44951%0.51SS..Hα-helixtrans-58.9-41.8172.9-72.8-76.7139.400112.3L901 N907 H908 F909L901-E905 HydrophobicContact CD2-CG 3.86Å; L901-E905 WeakPolarHBondContact O-CB 3.36Å; L901-E905 VanDerWaalsContact O-CG 3.32Å; L901-E905 WeakPolarHBondContact O-CG 3.43Å; L901-E905 PolarHBondContact O-N 2.7Å; E905-N907 PolarHBondContact O-N 3.13Å; E905-H908 PolarHBondContact O-N 3.42Å; E905-F909 VanDerWaalsContact O-CD2 3.27Å; E905-F909 WeakPolarHBondContact O-CD2 3.46Å; E905-F909 PolarHBondContact O-N 2.82Å
906R84.2Confident84.8Confident182 Ų182104.8 Ų104.869%0.68752%0.516SS*.Hα-helixtrans-63.9-39.5177.6-83.4172.1-178.9-178.31.1112.7L902 F903 E904 H908 F909 A910L902-R906 WeakPolarHBondContact O-CB 3.4Å; L902-R906 WeakPolarHBondContact O-CD 3.37Å; L902-R906 WeakPolarHBondContact O-CG 3.37Å; L902-R906 PolarHBondContact O-N 2.94Å; F903-R906 PolarHBondContact O-N 3.35Å; E904-R906 PolarHBondContact O-N 3.09Å; R906-H908 VanDerWaalsContact C-N 3.35Å; R906-F909 PolarHBondContact O-N 3.28Å; R906-A910 PolarHBondContact O-N 3.06Å
907N85.1Confident84.6Confident67 Ų67108.3 Ų108.336%0.35852%0.524SS..Hα-helixtrans-65.9-42.7175.6-63.1-19.5000110F903 E904 E905 F909 A910 E911F903-N907 WeakPolarHBondContact CE1-ND2 3.32Å; F903-N907 PolarHBondContact O-N 3.36Å; F903-N907 PolarHBondContact O-ND2 3.47Å; F903-N907 PolarHBondContact O-OD1 3.22Å; E904-N907 PolarHBondContact O-N 3.46Å; E905-N907 PolarHBondContact O-N 3.13Å; N907-F909 PolarHBondContact O-N 3.29Å; N907-A910 WeakPolarHBondContact O-CB 3.44Å; N907-A910 PolarHBondContact O-N 3.05Å; N907-A910 VanDerWaalsContact O-N 3.1Å; N907-E911 WeakPolarHBondContact O-CG 3.47Å; N907-E911 PolarHBondContact O-N 2.9Å
908H86.3Confident84.6Confident96 Ų96105.8 Ų105.844%0.44452%0.517SS..Hα-helixtrans-63.9-38.1176.7-16745.3000113.2E904 E905 R906 E911 I912E904-H908 PolarHBondContact O-N 2.97Å; E905-H908 PolarHBondContact O-N 3.42Å; R906-H908 VanDerWaalsContact C-N 3.35Å; H908-E911 IonicContact ND1-OE2 3.31Å; H908-E911 PolarHBondContact ND1-OE2 3.4Å; H908-E911 PolarHBondContact O-N 2.9Å; H908-I912 WeakPolarHBondContact O-CG1 3.47Å; H908-I912 PolarHBondContact O-N 3.15Å
909F76.4Confident84.8Confident134 Ų134103.8 Ų103.859%0.58851%0.507SS*.Hα-helixtrans-63.1-39170.7-89.5-71.1000112.5E905 R906 N907 E913E905-F909 VanDerWaalsContact O-CD2 3.27Å; E905-F909 WeakPolarHBondContact O-CD2 3.46Å; E905-F909 PolarHBondContact O-N 2.82Å; R906-F909 PolarHBondContact O-N 3.28Å; N907-F909 PolarHBondContact O-N 3.29Å; F909-E913 WeakPolarHBondContact O-CB 3.14Å; F909-E913 PolarHBondContact O-N 3.08Å
910A84.8Confident84.5Confident49 Ų49103.2 Ų103.241%0.40551%0.507SS..Hα-helixtrans-68.9-38.717600000112.3R906 N907 E913 T914R906-A910 PolarHBondContact O-N 3.06Å; N907-A910 WeakPolarHBondContact O-CB 3.44Å; N907-A910 PolarHBondContact O-N 3.05Å; N907-A910 VanDerWaalsContact O-N 3.1Å; A910-E913 PolarHBondContact O-N 3.4Å; A910-T914 WeakPolarHBondContact O-CG2 3.4Å; A910-T914 PolarHBondContact O-N 2.91Å; A910-T914 PolarHBondContact O-OG1 3.04Å
911E88.4Confident84.3Confident107 Ų107101 Ų10150%0.550%0.503SS..Hα-helixtrans-56.9-54.7171.3-71.5163.8178.300110.3N907 H908 E913 T914 E915N907-E911 WeakPolarHBondContact O-CG 3.47Å; N907-E911 PolarHBondContact O-N 2.9Å; H908-E911 IonicContact ND1-OE2 3.31Å; H908-E911 PolarHBondContact ND1-OE2 3.4Å; H908-E911 PolarHBondContact O-N 2.9Å; E911-E913 VanDerWaalsContact C-N 3.31Å; E911-E913 PolarHBondContact O-N 3.02Å; E911-T914 PolarHBondContact O-N 3.3Å; E911-T914 PolarHBondContact O-OG1 3.22Å; E911-E915 PolarHBondContact O-N 3.32Å
912I85.1Confident84.2Confident63 Ų63103.3 Ų103.332%0.32351%0.505SS..Hα-helixtrans-58.8-39.8177.6-68.7166.3000111.8H908 E915 L916H908-I912 WeakPolarHBondContact O-CG1 3.47Å; H908-I912 PolarHBondContact O-N 3.15Å; I912-E915 PolarHBondContact O-N 2.93Å; I912-L916 HydrophobicContact CG2-CD1 3.85Å; I912-L916 HydrophobicContact CG2-CG 4.41Å; I912-L916 WeakPolarHBondContact O-CB 3.38Å; I912-L916 WeakPolarHBondContact O-CG 3.35Å; I912-L916 PolarHBondContact O-N 3.4Å
913E79.8Confident84.1Confident141 Ų141103.9 Ų103.966%0.65951%0.507SS*.Hα-helixtrans-63.2-41.1175.5-172.8167.6-154.100111.3F909 A910 E911 Q917F909-E913 WeakPolarHBondContact O-CB 3.14Å; F909-E913 PolarHBondContact O-N 3.08Å; A910-E913 PolarHBondContact O-N 3.4Å; E911-E913 VanDerWaalsContact C-N 3.31Å; E911-E913 PolarHBondContact O-N 3.02Å; E913-Q917 VanDerWaalsContact O-CB 3.29Å; E913-Q917 WeakPolarHBondContact O-CB 3.09Å; E913-Q917 PolarHBondContact O-N 3.34Å
914T84.8Confident83.8Confident94 Ų94103.2 Ų103.258%0.57751%0.505SS*.Hα-helixtrans-69.4-35.4174.359.80000113.7A910 E911 Q917 A918A910-T914 WeakPolarHBondContact O-CG2 3.4Å; A910-T914 PolarHBondContact O-N 2.91Å; A910-T914 PolarHBondContact O-OG1 3.04Å; E911-T914 PolarHBondContact O-N 3.3Å; E911-T914 PolarHBondContact O-OG1 3.22Å; T914-Q917 PolarHBondContact O-N 3.04Å; T914-A918 WeakPolarHBondContact O-CB 3.32Å; T914-A918 PolarHBondContact O-N 3.27Å
915E85.9Confident83.5Confident138 Ų138104 Ų10465%0.64551%0.509SS*.Hα-helixtrans-65.7-44.4173.9-71.2-168.6155.300111.7E911 I912 A918 E919E911-E915 PolarHBondContact O-N 3.32Å; I912-E915 PolarHBondContact O-N 2.93Å; E915-A918 PolarHBondContact O-N 3.28Å; E915-E919 PolarHBondContact O-N 3.28Å
916L83Confident83.4Confident109 Ų109103.3 Ų103.357%0.57151%0.506SS*.Hα-helixtrans-63-41.4175.1-75.3167000111.8I912 E919 L920I912-L916 HydrophobicContact CG2-CD1 3.85Å; I912-L916 HydrophobicContact CG2-CG 4.41Å; I912-L916 WeakPolarHBondContact O-CB 3.38Å; I912-L916 WeakPolarHBondContact O-CG 3.35Å; I912-L916 PolarHBondContact O-N 3.4Å; L916-E919 PolarHBondContact O-N 2.69Å; L916-L920 WeakPolarHBondContact O-CG 3.46Å; L916-L920 PolarHBondContact O-N 2.95Å
917Q85.2Confident83.2Confident124 Ų124100.3 Ų100.358%0.57950%0.499SS*.Hα-helixtrans-62.9-41.7175.6-165.874.1-1.200111.4E913 T914 L920 V921E913-Q917 VanDerWaalsContact O-CB 3.29Å; E913-Q917 WeakPolarHBondContact O-CB 3.09Å; E913-Q917 PolarHBondContact O-N 3.34Å; T914-Q917 PolarHBondContact O-N 3.04Å; Q917-L920 PolarHBondContact O-N 3.01Å; Q917-V921 WeakPolarHBondContact O-CG2 3.48Å; Q917-V921 PolarHBondContact O-N 3.04Å; Q917-V921 VanDerWaalsContact O-N 3.16Å
918A86.6Confident82.9Confident50 Ų50101.8 Ų101.841%0.41350%0.504SS..Hα-helixtrans-66.5-37.7175.300000112.4T914 E915 V921 R922T914-A918 WeakPolarHBondContact O-CB 3.32Å; T914-A918 PolarHBondContact O-N 3.27Å; E915-A918 PolarHBondContact O-N 3.28Å; A918-V921 PolarHBondContact O-N 3.36Å; A918-R922 WeakPolarHBondContact O-CG 3.45Å; A918-R922 PolarHBondContact O-N 2.75Å
919E84.9Confident82.7Confident76 Ų76103.3 Ų103.336%0.35551%0.512SS..Hα-helixtrans-68.8-38.2176.8-171.761.4-172.500112.5E915 L916 V921 R922 M923E915-E919 PolarHBondContact O-N 3.28Å; L916-E919 PolarHBondContact O-N 2.69Å; E919-V921 VanDerWaalsContact C-N 3.34Å; E919-V921 PolarHBondContact O-N 2.98Å; E919-R922 PolarHBondContact O-N 3Å; E919-R922 IonicContact OE2-CZ 2.99Å; E919-R922 IonicContact OE2-NE 3.21Å; E919-R922 PolarHBondContact OE2-NE 3.36Å; E919-R922 IonicContact OE2-NH2 2.96Å; E919-R922 PolarHBondContact OE2-NH2 3.5Å; E919-M923 WeakPolarHBondContact O-CB 3.43Å; E919-M923 WeakPolarHBondContact O-CG 3.47Å; E919-M923 PolarHBondContact O-N 3.26Å
920L78.8Confident83Confident114 Ų114102.3 Ų102.360%0.59751%0.507SS*.Hα-helixtrans-59.4-44.3171.5-73.6170.7000111.5L916 Q917 M923 E924L916-L920 WeakPolarHBondContact O-CG 3.46Å; L916-L920 PolarHBondContact O-N 2.95Å; Q917-L920 PolarHBondContact O-N 3.01Å; L920-M923 PolarHBondContact O-N 3.49Å; L920-E924 WeakPolarHBondContact O-CB 3.32Å; L920-E924 PolarHBondContact O-N 2.94Å
921V86.3Confident82.6Confident73 Ų73102.9 Ų102.944%0.44251%0.505SS..Hα-helixtrans-64.9-40.6176.11730000111.9Q917 A918 E919 E924 Q925Q917-V921 WeakPolarHBondContact O-CG2 3.48Å; Q917-V921 PolarHBondContact O-N 3.04Å; Q917-V921 VanDerWaalsContact O-N 3.16Å; A918-V921 PolarHBondContact O-N 3.36Å; E919-V921 VanDerWaalsContact C-N 3.34Å; E919-V921 PolarHBondContact O-N 2.98Å; V921-E924 PolarHBondContact O-N 3Å; V921-Q925 WeakPolarHBondContact O-CG 3.4Å; V921-Q925 PolarHBondContact O-N 3.47Å
922R85.4Confident82.1Confident144 Ų144103.2 Ų103.254%0.54351%0.51SS..Hα-helixtrans-62.2-42.5173.7-75.5-163.1-69-138.8-5.4112.2A918 E919 Q925 Q926A918-R922 WeakPolarHBondContact O-CG 3.45Å; A918-R922 PolarHBondContact O-N 2.75Å; E919-R922 PolarHBondContact O-N 3Å; E919-R922 IonicContact OE2-CZ 2.99Å; E919-R922 IonicContact OE2-NE 3.21Å; E919-R922 PolarHBondContact OE2-NE 3.36Å; E919-R922 IonicContact OE2-NH2 2.96Å; E919-R922 PolarHBondContact OE2-NH2 3.5Å; R922-Q925 PolarHBondContact O-N 2.93Å; R922-Q926 WeakPolarHBondContact O-CB 3.4Å; R922-Q926 WeakPolarHBondContact O-CG 3.4Å; R922-Q926 PolarHBondContact O-N 3.43Å
923M77.8Confident81.7Confident104 Ų104107.3 Ų107.351%0.51252%0.522SS..Hα-helixtrans-67.6-36177.7-76.4-66.2-67.600112.2E919 L920 H927E919-M923 WeakPolarHBondContact O-CB 3.43Å; E919-M923 WeakPolarHBondContact O-CG 3.47Å; E919-M923 PolarHBondContact O-N 3.26Å; L920-M923 PolarHBondContact O-N 3.49Å; M923-H927 WeakPolarHBondContact O-CB 3.42Å; M923-H927 PolarHBondContact O-N 2.7Å
924E79.4Confident81.5Confident114 Ų114105.2 Ų105.253%0.53352%0.515SS..Hα-helixtrans-67-47173.4-165.4-176.5165.200111.5L920 V921 Q926 H927 Q928L920-E924 WeakPolarHBondContact O-CB 3.32Å; L920-E924 PolarHBondContact O-N 2.94Å; V921-E924 PolarHBondContact O-N 3Å; E924-Q926 PolarHBondContact O-N 2.7Å; E924-H927 WeakPolarHBondContact O-CA 3.35Å; E924-H927 WeakPolarHBondContact O-CB 3.27Å; E924-H927 PolarHBondContact O-N 2.71Å; E924-Q928 WeakPolarHBondContact O-CG 3.49Å; E924-Q928 PolarHBondContact O-N 3.47Å; E924-Q928 PolarHBondContact OE1-NE2 2.97Å; E924-Q928 VanDerWaalsContact OE1-NE2 3.1Å
925Q82.7Confident80.9Confident110 Ų110105.2 Ų105.251%0.51451%0.511SS..Hα-helixtrans-57.6-48.4174.1-76.7-174.5-43.300111.7V921 R922 H927 Q928 E929V921-Q925 WeakPolarHBondContact O-CG 3.4Å; V921-Q925 PolarHBondContact O-N 3.47Å; R922-Q925 PolarHBondContact O-N 2.93Å; Q925-H927 PolarHBondContact O-N 2.96Å; Q925-Q928 PolarHBondContact O-N 2.88Å; Q925-Q928 VanDerWaalsContact O-N 3.14Å; Q925-E929 WeakPolarHBondContact O-CG 3.32Å; Q925-E929 PolarHBondContact O-N 3.44Å
926Q79.9Confident80.2Confident81 Ų81101.2 Ų101.238%0.37950%0.498SS..Hα-helixtrans-61.3-25.6175.1-77.9-171.736.500113.6R922 E924 K930R922-Q926 WeakPolarHBondContact O-CB 3.4Å; R922-Q926 WeakPolarHBondContact O-CG 3.4Å; R922-Q926 PolarHBondContact O-N 3.43Å; E924-Q926 PolarHBondContact O-N 2.7Å; Q926-K930 WeakPolarHBondContact O-CD 3.36Å; Q926-K930 WeakPolarHBondContact O-CE 3.46Å; Q926-K930 WeakPolarHBondContact O-CG 3.38Å; Q926-K930 PolarHBondContact O-N 3.37Å
927H79.8Confident79.6Confident119 Ų119100.3 Ų100.355%0.55149%0.491SS*.Hα-helixtrans-77.3-45.6173.5-17465.8000110.8M923 E924 Q925 E929 K930 V931M923-H927 WeakPolarHBondContact O-CB 3.42Å; M923-H927 PolarHBondContact O-N 2.7Å; E924-H927 WeakPolarHBondContact O-CA 3.35Å; E924-H927 WeakPolarHBondContact O-CB 3.27Å; E924-H927 PolarHBondContact O-N 2.71Å; Q925-H927 PolarHBondContact O-N 2.96Å; H927-E929 VanDerWaalsContact C-N 3.35Å; H927-E929 PolarHBondContact O-N 2.94Å; H927-K930 PolarHBondContact O-N 3.48Å; H927-K930 VanDerWaalsContact O-N 3.16Å; H927-V931 WeakPolarHBondContact O-CG2 3.37Å; H927-V931 PolarHBondContact O-N 3.26Å
928Q80.3Confident78.6Confident98 Ų9899.1 Ų99.146%0.45849%0.488SS..Hα-helixtrans-58.3-43.8174.8-67.2173.49.300111.6E924 Q925 K930 V931 L932E924-Q928 WeakPolarHBondContact O-CG 3.49Å; E924-Q928 PolarHBondContact O-N 3.47Å; E924-Q928 PolarHBondContact OE1-NE2 2.97Å; E924-Q928 VanDerWaalsContact OE1-NE2 3.1Å; Q925-Q928 PolarHBondContact O-N 2.88Å; Q925-Q928 VanDerWaalsContact O-N 3.14Å; Q928-K930 PolarHBondContact O-N 3.25Å; Q928-V931 PolarHBondContact O-N 3.14Å; Q928-L932 WeakPolarHBondContact O-CB 3.34Å; Q928-L932 VanDerWaalsContact O-CG 3.31Å; Q928-L932 WeakPolarHBondContact O-CG 3.45Å; Q928-L932 PolarHBondContact O-N 2.99Å
929E82.4Confident77.6Confident128 Ų128103 Ų10360%0.59850%0.498SS*.Hα-helixtrans-59.8-43.1173.7-73.3176.1165.500112.7Q925 H927 L932 Y933Q925-E929 WeakPolarHBondContact O-CG 3.32Å; Q925-E929 PolarHBondContact O-N 3.44Å; H927-E929 VanDerWaalsContact C-N 3.35Å; H927-E929 PolarHBondContact O-N 2.94Å; E929-L932 PolarHBondContact O-N 2.88Å; E929-Y933 WeakPolarHBondContact O-CB 3.2Å; E929-Y933 PolarHBondContact O-N 2.97Å
930K81.1Confident76.6Confident112 Ų112105.8 Ų105.849%0.48751%0.511SS..Hα-helixtrans-67.4-37.6176.9-72.4162.8-162.8149.20111.7Q926 H927 Q928 Y933 L934Q926-K930 WeakPolarHBondContact O-CD 3.36Å; Q926-K930 WeakPolarHBondContact O-CE 3.46Å; Q926-K930 WeakPolarHBondContact O-CG 3.38Å; Q926-K930 PolarHBondContact O-N 3.37Å; H927-K930 PolarHBondContact O-N 3.48Å; H927-K930 VanDerWaalsContact O-N 3.16Å; Q928-K930 PolarHBondContact O-N 3.25Å; K930-Y933 PolarHBondContact O-N 3Å; K930-L934 WeakPolarHBondContact O-CB 3.49Å; K930-L934 VanDerWaalsContact O-CG 3.26Å; K930-L934 WeakPolarHBondContact O-CG 3.35Å; K930-L934 PolarHBondContact O-N 2.68Å
931V77.4Confident75.6Confident61 Ų61102.5 Ų102.537%0.3750%0.498SS..Hα-helixtrans-65.4-46.1173.81700000110.7H927 Q928 Y933 L934 L935H927-V931 WeakPolarHBondContact O-CG2 3.37Å; H927-V931 PolarHBondContact O-N 3.26Å; Q928-V931 PolarHBondContact O-N 3.14Å; V931-Y933 VanDerWaalsContact C-N 3.34Å; V931-Y933 PolarHBondContact O-N 3.3Å; V931-L934 PolarHBondContact O-N 2.88Å; V931-L935 HydrophobicContact CG1-CD1 3.84Å; V931-L935 HydrophobicContact CG1-CG 4.35Å; V931-L935 WeakPolarHBondContact O-CB 3.44Å; V931-L935 VanDerWaalsContact O-CG 3.3Å; V931-L935 WeakPolarHBondContact O-CG 3.25Å; V931-L935 PolarHBondContact O-N 3.47Å
932L77.7Confident74.2Confident115 Ų115104.6 Ų104.660%0.60250%0.502SS*.Hα-helixtrans-61.1-40.2175.5-72.8167.6000112.4Q928 E929 L935 S936Q928-L932 WeakPolarHBondContact O-CB 3.34Å; Q928-L932 VanDerWaalsContact O-CG 3.31Å; Q928-L932 WeakPolarHBondContact O-CG 3.45Å; Q928-L932 PolarHBondContact O-N 2.99Å; E929-L932 PolarHBondContact O-N 2.88Å; L932-L935 PolarHBondContact O-N 2.8Å; L932-S936 WeakPolarHBondContact O-CB 3.4Å; L932-S936 PolarHBondContact O-N 3.42Å
933Y76.3Confident72.8Confident148 Ų148103.7 Ų103.758%0.5851%0.506SS*.Hα-helixtrans-61.7-46.4173.8178.1-94.3000112E929 K930 V931 S936 Q937E929-Y933 WeakPolarHBondContact O-CB 3.2Å; E929-Y933 PolarHBondContact O-N 2.97Å; K930-Y933 PolarHBondContact O-N 3Å; V931-Y933 VanDerWaalsContact C-N 3.34Å; V931-Y933 PolarHBondContact O-N 3.3Å; Y933-S936 PolarHBondContact O-N 2.95Å; Y933-Q937 WeakPolarHBondContact O-CB 3.48Å; Y933-Q937 PolarHBondContact O-N 3.41Å
934L74.9Confident71.8Confident98 Ų98101.5 Ų101.551%0.51350%0.504SS..Hα-helixtrans-65.8-38.8177.9-71168.1000112.2K930 V931 Q937 L938K930-L934 WeakPolarHBondContact O-CB 3.49Å; K930-L934 VanDerWaalsContact O-CG 3.26Å; K930-L934 WeakPolarHBondContact O-CG 3.35Å; K930-L934 PolarHBondContact O-N 2.68Å; V931-L934 PolarHBondContact O-N 2.88Å; L934-Q937 PolarHBondContact O-N 3.45Å; L934-L938 WeakPolarHBondContact O-CG 3.01Å; L934-L938 PolarHBondContact O-N 3.01Å
935L72.8Confident70.7Confident94 Ų94101.6 Ų101.649%0.49251%0.505SS..Hα-helixtrans-64.2-41.2173.9-72.2169.1000112V931 L932 Q937 L938 Q939V931-L935 HydrophobicContact CG1-CD1 3.84Å; V931-L935 HydrophobicContact CG1-CG 4.35Å; V931-L935 WeakPolarHBondContact O-CB 3.44Å; V931-L935 VanDerWaalsContact O-CG 3.3Å; V931-L935 WeakPolarHBondContact O-CG 3.25Å; V931-L935 PolarHBondContact O-N 3.47Å; L932-L935 PolarHBondContact O-N 2.8Å; L935-Q937 VanDerWaalsContact C-N 3.31Å; L935-Q937 PolarHBondContact O-N 3.49Å; L935-L938 PolarHBondContact O-N 3.37Å; L935-Q939 PolarHBondContact O-N 2.83Å
936S72.7Confident69.4Low53 Ų53102.9 Ų102.937%0.37151%0.509SS..Hα-helixtrans-63.7-38173.6-1720000111.8L932 Y933 Q939 Q940L932-S936 WeakPolarHBondContact O-CB 3.4Å; L932-S936 PolarHBondContact O-N 3.42Å; Y933-S936 PolarHBondContact O-N 2.95Å; S936-Q939 PolarHBondContact O-N 3.49Å; S936-Q940 WeakPolarHBondContact O-CG 3.39Å; S936-Q940 PolarHBondContact O-N 3.03Å
937Q68.5Low68.2Low91 Ų91105.5 Ų105.543%0.42552%0.521SS..Hα-helixtrans-70.1-32.9176.4-167.1162.248.200112.7Y933 L934 L935 Q940 S941Y933-Q937 WeakPolarHBondContact O-CB 3.48Å; Y933-Q937 PolarHBondContact O-N 3.41Å; L934-Q937 PolarHBondContact O-N 3.45Å; L935-Q937 VanDerWaalsContact C-N 3.31Å; L935-Q937 PolarHBondContact O-N 3.49Å; Q937-Q940 PolarHBondContact O-N 3.05Å; Q937-S941 PolarHBondContact O-N 3.04Å; Q937-S941 VanDerWaalsContact O-N 3.13Å; Q937-S941 PolarHBondContact O-OG 3.45Å
938L65.5Low67Low98 Ų98105.3 Ų105.351%0.51352%0.523SS..Hα-helixtrans-67.3-44.8170.7-77.9163.8000111.9L934 L935 Q940 S941 Q942L934-L938 WeakPolarHBondContact O-CG 3.01Å; L934-L938 PolarHBondContact O-N 3.01Å; L935-L938 PolarHBondContact O-N 3.37Å; L938-Q940 VanDerWaalsContact C-N 3.29Å; L938-Q940 PolarHBondContact O-N 3.03Å; L938-S941 WeakPolarHBondContact CA-OG 3.36Å; L938-S941 PolarHBondContact O-N 3.23Å; L938-S941 VanDerWaalsContact O-N 3.08Å; L938-S941 PolarHBondContact O-OG 3.3Å; L938-S941 VanDerWaalsContact O-OG 3.07Å; L938-Q942 PolarHBondContact O-N 3.27Å
939Q65.8Low65.9Low131 Ų131107 Ų10761%0.61253%0.531SS*.Hα-helixtrans-59.8-39.2173.2-75-175.3-35.200112.1L935 S936 S941 M943L935-Q939 PolarHBondContact O-N 2.83Å; S936-Q939 PolarHBondContact O-N 3.49Å; Q939-S941 VanDerWaalsContact C-N 3.3Å; Q939-S941 PolarHBondContact O-N 3.27Å; Q939-M943 WeakPolarHBondContact O-CB 3.19Å; Q939-M943 WeakPolarHBondContact O-CG 3.42Å; Q939-M943 PolarHBondContact O-N 2.81Å
940Q62.6Low64.7Low135 Ų135107.4 Ų107.463%0.63153%0.533SS*.Hα-helixtrans-66.5-29175.3-73.4176.713.700113.4S936 Q937 L938 A944S936-Q940 WeakPolarHBondContact O-CG 3.39Å; S936-Q940 PolarHBondContact O-N 3.03Å; Q937-Q940 PolarHBondContact O-N 3.05Å; L938-Q940 VanDerWaalsContact C-N 3.29Å; L938-Q940 PolarHBondContact O-N 3.03Å; Q940-A944 PolarHBondContact O-N 2.96Å
941S59.1Low63.5Low46 Ų46103.7 Ų103.732%0.32252%0.521SS..Hα-helixtrans-76.8-47174.215.80000111.4Q937 L938 Q939 M943 A944 E945Q937-S941 PolarHBondContact O-N 3.04Å; Q937-S941 VanDerWaalsContact O-N 3.13Å; Q937-S941 PolarHBondContact O-OG 3.45Å; L938-S941 WeakPolarHBondContact CA-OG 3.36Å; L938-S941 PolarHBondContact O-N 3.23Å; L938-S941 VanDerWaalsContact O-N 3.08Å; L938-S941 PolarHBondContact O-OG 3.3Å; L938-S941 VanDerWaalsContact O-OG 3.07Å; Q939-S941 VanDerWaalsContact C-N 3.3Å; Q939-S941 PolarHBondContact O-N 3.27Å; S941-M943 VanDerWaalsContact C-N 3.28Å; S941-M943 PolarHBondContact O-N 3.46Å; S941-A944 CarbonylContact O-C 3.53Å; S941-A944 WeakPolarHBondContact O-CA 3.5Å; S941-A944 WeakPolarHBondContact O-CB 3.28Å; S941-A944 PolarHBondContact O-N 2.81Å; S941-E945 WeakPolarHBondContact O-CG 3.31Å; S941-E945 PolarHBondContact O-N 2.87Å
942Q57Low62.6Low116 Ų116104.1 Ų104.154%0.54252%0.524SS..Hα-helixtrans-58.2-38.3176-71.2179.7-25.400112.9L938 A944 E945 K946L938-Q942 PolarHBondContact O-N 3.27Å; Q942-A944 VanDerWaalsContact C-N 3.33Å; Q942-E945 PolarHBondContact O-N 3.2Å; Q942-K946 WeakPolarHBondContact O-CG 3.35Å; Q942-K946 PolarHBondContact O-N 2.96Å
943M55.5Low61.9Low125 Ų125101.2 Ų101.262%0.61651%0.513SS*.Hα-helixtrans-67.2-32.4174.8-70.9-70.8-71.300112.7Q939 S941 Q947Q939-M943 WeakPolarHBondContact O-CB 3.19Å; Q939-M943 WeakPolarHBondContact O-CG 3.42Å; Q939-M943 PolarHBondContact O-N 2.81Å; S941-M943 VanDerWaalsContact C-N 3.28Å; S941-M943 PolarHBondContact O-N 3.46Å; M943-Q947 WeakPolarHBondContact O-CG 3.38Å; M943-Q947 PolarHBondContact O-N 3.41Å
944A55.6Low61.2Low58 Ų58101 Ų10148%0.47952%0.518SS..Hα-helixtrans-77.1-3317500000112.4Q940 S941 Q942 L948Q940-A944 PolarHBondContact O-N 2.96Å; S941-A944 CarbonylContact O-C 3.53Å; S941-A944 WeakPolarHBondContact O-CA 3.5Å; S941-A944 WeakPolarHBondContact O-CB 3.28Å; S941-A944 PolarHBondContact O-N 2.81Å; Q942-A944 VanDerWaalsContact C-N 3.33Å; A944-L948 PolarHBondContact O-N 3.42Å; A944-L948 VanDerWaalsContact O-N 3.15Å
945E56.5Low60.7Low117 Ų117101.9 Ų101.955%0.54752%0.517SS..Hα-helixtrans-68.6-46175.6-73.4168.5152.800111S941 Q942 Q947 L948 E949S941-E945 WeakPolarHBondContact O-CG 3.31Å; S941-E945 PolarHBondContact O-N 2.87Å; Q942-E945 PolarHBondContact O-N 3.2Å; E945-Q947 PolarHBondContact O-N 2.87Å; E945-L948 WeakPolarHBondContact O-CA 3.36Å; E945-L948 VanDerWaalsContact O-CB 3.3Å; E945-L948 WeakPolarHBondContact O-CB 3.21Å; E945-L948 PolarHBondContact O-N 3.4Å; E945-E949 PolarHBondContact O-N 3.28Å
946K56.3Low60.4Low137 Ų137103 Ų10360%0.59652%0.52SS*.Hα-helixtrans-59.4-42.2174.9-73.1-171.7175.6-169.90113.3Q942 L948 E949 E950Q942-K946 WeakPolarHBondContact O-CG 3.35Å; Q942-K946 PolarHBondContact O-N 2.96Å; K946-L948 PolarHBondContact O-N 3.5Å; K946-E949 PolarHBondContact O-N 2.96Å; K946-E950 WeakPolarHBondContact O-CG 3.28Å; K946-E950 PolarHBondContact O-N 3.28Å
947Q55Low60.2Low135 Ų135106.4 Ų106.463%0.63153%0.53SS*.Hα-helixtrans-63.5-28.5173.5-75.3-177-4.800112.9M943 E945 S951M943-Q947 WeakPolarHBondContact O-CG 3.38Å; M943-Q947 PolarHBondContact O-N 3.41Å; E945-Q947 PolarHBondContact O-N 2.87Å; Q947-S951 WeakPolarHBondContact O-CB 3.32Å; Q947-S951 PolarHBondContact O-N 3.42Å
948L54.6Low60.2Low116 Ų116108.7 Ų108.761%0.60754%0.541SS*.Hα-helixtrans-74.7-44.9175.3-160.370.8000110.9A944 E945 K946 S951 V952A944-L948 PolarHBondContact O-N 3.42Å; A944-L948 VanDerWaalsContact O-N 3.15Å; E945-L948 WeakPolarHBondContact O-CA 3.36Å; E945-L948 VanDerWaalsContact O-CB 3.3Å; E945-L948 WeakPolarHBondContact O-CB 3.21Å; E945-L948 PolarHBondContact O-N 3.4Å; K946-L948 PolarHBondContact O-N 3.5Å; L948-S951 CarbonylContact O-C 3.52Å; L948-S951 PolarHBondContact O-N 2.9Å; L948-S951 PolarHBondContact O-OG 3.1Å; L948-V952 WeakPolarHBondContact O-CG2 3.37Å; L948-V952 PolarHBondContact O-N 3.05Å
949E56.2Low60.3Low134 Ų134109.3 Ų109.363%0.62654%0.544SS*.Hα-helixtrans-61.3-46.8178.1-70.2-178.9141.600112.6E945 K946 S951 V952 S953E945-E949 PolarHBondContact O-N 3.28Å; K946-E949 PolarHBondContact O-N 2.96Å; E949-S951 VanDerWaalsContact C-N 3.28Å; E949-S951 PolarHBondContact O-N 2.97Å; E949-V952 PolarHBondContact O-N 3.02Å; E949-S953 PolarHBondContact O-N 2.95Å
950E57.2Low60.4Low135 Ų135108.2 Ų108.263%0.63154%0.542SS*.Hα-helixtrans-55-46.5172.7-72.4179.7145.300110.6K946 V952 S953 E954K946-E950 WeakPolarHBondContact O-CG 3.28Å; K946-E950 PolarHBondContact O-N 3.28Å; E950-V952 PolarHBondContact O-N 3.02Å; E950-S953 PolarHBondContact O-N 3.47Å; E950-E954 PolarHBondContact O-N 2.9Å
951S56.3Low60.7Low34 Ų34105 Ų10524%0.23853%0.534CS..Hα-helixtrans-67.9-16.2179.189.90000114.4Q947 L948 E949 K955Q947-S951 WeakPolarHBondContact O-CB 3.32Å; Q947-S951 PolarHBondContact O-N 3.42Å; L948-S951 CarbonylContact O-C 3.52Å; L948-S951 PolarHBondContact O-N 2.9Å; L948-S951 PolarHBondContact O-OG 3.1Å; E949-S951 VanDerWaalsContact C-N 3.28Å; E949-S951 PolarHBondContact O-N 2.97Å; S951-K955 WeakPolarHBondContact O-CG 3.17Å; S951-K955 PolarHBondContact O-NZ 3.23Å
952V58Low61.3Low71 Ų71106.1 Ų106.143%0.4354%0.539SS..Hα-helixtrans-89.2-46.3173.9170.40000109.8L948 E949 E950 E954 K955 E956L948-V952 WeakPolarHBondContact O-CG2 3.37Å; L948-V952 PolarHBondContact O-N 3.05Å; E949-V952 PolarHBondContact O-N 3.02Å; E950-V952 PolarHBondContact O-N 3.02Å; V952-E954 VanDerWaalsContact C-N 3.34Å; V952-E954 PolarHBondContact O-N 2.87Å; V952-K955 WeakPolarHBondContact O-CA 3.43Å; V952-K955 WeakPolarHBondContact O-CB 3.43Å; V952-K955 PolarHBondContact O-N 2.88Å; V952-E956 HydrophobicContact CG1-CG 4.43Å; V952-E956 PolarHBondContact O-N 2.97Å
953S64.6Low62Low54 Ų54104.8 Ų104.838%0.37854%0.535SS..Hα-helixtrans-55.3-45.1176.1-177.70000112.4E949 E950 K955 E956 Q957E949-S953 PolarHBondContact O-N 2.95Å; E950-S953 PolarHBondContact O-N 3.47Å; S953-K955 VanDerWaalsContact C-N 3.3Å; S953-K955 PolarHBondContact O-N 2.91Å; S953-E956 PolarHBondContact O-N 2.78Å; S953-Q957 WeakPolarHBondContact O-CG 3.49Å; S953-Q957 PolarHBondContact O-N 3.38Å; S953-Q957 PolarHBondContact OG-NE2 3.35Å
954E61Low63.1Low144 Ų144106.1 Ų106.167%0.67354%0.538SS*.Hα-helixtrans-57.9-40.6174.1-74.3-171.2147.600112.5E950 V952 Q958E950-E954 PolarHBondContact O-N 2.9Å; V952-E954 VanDerWaalsContact C-N 3.34Å; V952-E954 PolarHBondContact O-N 2.87Å; E954-Q958 WeakPolarHBondContact O-CB 3.44Å; E954-Q958 PolarHBondContact O-N 2.59Å
955K64.1Low63.9Low115 Ų115106.8 Ų106.850%0.554%0.538SS..Hα-helixtrans-72.6-36.4180-68.1-177.8-169.485.70112.1S951 V952 S953 Q958 L959S951-K955 WeakPolarHBondContact O-CG 3.17Å; S951-K955 PolarHBondContact O-NZ 3.23Å; V952-K955 WeakPolarHBondContact O-CA 3.43Å; V952-K955 WeakPolarHBondContact O-CB 3.43Å; V952-K955 PolarHBondContact O-N 2.88Å; S953-K955 VanDerWaalsContact C-N 3.3Å; S953-K955 PolarHBondContact O-N 2.91Å; K955-Q958 PolarHBondContact O-N 2.61Å; K955-L959 WeakPolarHBondContact O-CB 3.46Å; K955-L959 WeakPolarHBondContact O-CG 3.5Å; K955-L959 PolarHBondContact O-N 3.27Å
956E66.4Low64.5Low118 Ų118106 Ų10655%0.55153%0.534SS*.Hα-helixtrans-66.2-41.5174.2-69.3-168.1142.900111.3V952 S953 Q958 L959 L960V952-E956 HydrophobicContact CG1-CG 4.43Å; V952-E956 PolarHBondContact O-N 2.97Å; S953-E956 PolarHBondContact O-N 2.78Å; E956-Q958 VanDerWaalsContact C-N 3.31Å; E956-Q958 PolarHBondContact O-N 3.41Å; E956-L959 PolarHBondContact O-N 3.01Å; E956-L960 WeakPolarHBondContact O-CB 3.41Å; E956-L960 VanDerWaalsContact O-CG 3.27Å; E956-L960 WeakPolarHBondContact O-CG 3.41Å; E956-L960 PolarHBondContact O-N 3.43Å
957Q68.4Low65.4Low125 Ų125103.8 Ų103.858%0.58453%0.529SS*.Hα-helixtrans-63.1-37172.3-67.6-179.938.200112.3S953 S961S953-Q957 WeakPolarHBondContact O-CG 3.49Å; S953-Q957 PolarHBondContact O-N 3.38Å; S953-Q957 PolarHBondContact OG-NE2 3.35Å; Q957-S961 WeakPolarHBondContact O-CB 3.48Å; Q957-S961 PolarHBondContact O-N 3.37Å; Q957-S961 PolarHBondContact O-OG 2.92Å
958Q67.6Low66.6Low138 Ų138102.7 Ų102.765%0.64552%0.524SS*.Hα-helixtrans-69.8-32.9175.6-163.5168.169.100112.3E954 K955 E956 S961 T962E954-Q958 WeakPolarHBondContact O-CB 3.44Å; E954-Q958 PolarHBondContact O-N 2.59Å; K955-Q958 PolarHBondContact O-N 2.61Å; E956-Q958 VanDerWaalsContact C-N 3.31Å; E956-Q958 PolarHBondContact O-N 3.41Å; Q958-S961 WeakPolarHBondContact CA-OG 3.49Å; Q958-S961 PolarHBondContact O-OG 3.28Å; Q958-S961 VanDerWaalsContact O-OG 3.13Å; Q958-T962 WeakPolarHBondContact O-CB 3.42Å; Q958-T962 PolarHBondContact O-N 3.43Å; Q958-T962 PolarHBondContact O-OG1 3.05Å
959L68.8Low67.6Low112 Ų112103 Ų10359%0.58652%0.522SS*.Hα-helixtrans-73.6-42.7173.1-74.8165.1000112K955 E956 T962 L963K955-L959 WeakPolarHBondContact O-CB 3.46Å; K955-L959 WeakPolarHBondContact O-CG 3.5Å; K955-L959 PolarHBondContact O-N 3.27Å; E956-L959 PolarHBondContact O-N 3.01Å; L959-T962 WeakPolarHBondContact O-CB 3.42Å; L959-T962 PolarHBondContact O-N 3.01Å; L959-L963 PolarHBondContact O-N 3.46Å
960L68.1Low68.3Low108 Ų108100.9 Ų100.957%0.56552%0.515SS*.Hα-helixtrans-64.4-39.2178-75165.7000112.7E956 K964E956-L960 WeakPolarHBondContact O-CB 3.41Å; E956-L960 VanDerWaalsContact O-CG 3.27Å; E956-L960 WeakPolarHBondContact O-CG 3.41Å; E956-L960 PolarHBondContact O-N 3.43Å; L960-K964 PolarHBondContact O-N 3.27Å
961S68.6Low69.4Low68 Ų6899 Ų9948%0.47651%0.506SS..Hα-helixtrans-68.8-35.9172.248.70000112.5Q957 Q958 C965Q957-S961 WeakPolarHBondContact O-CB 3.48Å; Q957-S961 PolarHBondContact O-N 3.37Å; Q957-S961 PolarHBondContact O-OG 2.92Å; Q958-S961 WeakPolarHBondContact CA-OG 3.49Å; Q958-S961 PolarHBondContact O-OG 3.28Å; Q958-S961 VanDerWaalsContact O-OG 3.13Å; S961-C965 PolarHBondContact O-N 2.7Å
962T72.3Confident70.7Confident69 Ų69102.5 Ų102.542%0.42352%0.517SS..Hα-helixtrans-64.3-44.1172.7-55.80000112Q958 L959 C965 Q966Q958-T962 WeakPolarHBondContact O-CB 3.42Å; Q958-T962 PolarHBondContact O-N 3.43Å; Q958-T962 PolarHBondContact O-OG1 3.05Å; L959-T962 WeakPolarHBondContact O-CB 3.42Å; L959-T962 PolarHBondContact O-N 3.01Å; T962-C965 WeakPolarHBondContact O-CB 3.26Å; T962-C965 PolarHBondContact O-N 2.98Å; T962-Q966 PolarHBondContact O-N 3.01Å; T962-Q966 VanDerWaalsContact O-N 3.13Å
963L71Confident71.1Confident88 Ų88104.6 Ų104.646%0.46152%0.523SS..Hα-helixtrans-61.7-47.9177-83164.4000111.9L959 C965 Q966 D967L959-L963 PolarHBondContact O-N 3.46Å; L963-C965 VanDerWaalsContact C-N 3.25Å; L963-C965 PolarHBondContact O-N 3.39Å; L963-Q966 WeakPolarHBondContact O-CA 3.39Å; L963-Q966 WeakPolarHBondContact O-CB 3.4Å; L963-Q966 PolarHBondContact O-N 3.22Å; L963-D967 PolarHBondContact O-N 2.96Å
964K79.7Confident71.7Confident152 Ų152107.9 Ų107.966%0.66153%0.527SS*.Hα-helixtrans-55.5-40175.5-80.3-173.8173.1-175.60113L960 D967 E968L960-K964 PolarHBondContact O-N 3.27Å; K964-D967 PolarHBondContact O-N 3.02Å; K964-E968 WeakPolarHBondContact O-CB 3.3Å; K964-E968 PolarHBondContact O-N 3.06Å
965C71.9Confident72.8Confident72 Ų72106.3 Ų106.349%0.48652%0.52SS..Hα-helixtrans-63.9-41.3176.4-162.50000111.7S961 T962 L963 E968 E969S961-C965 PolarHBondContact O-N 2.7Å; T962-C965 WeakPolarHBondContact O-CB 3.26Å; T962-C965 PolarHBondContact O-N 2.98Å; L963-C965 VanDerWaalsContact C-N 3.25Å; L963-C965 PolarHBondContact O-N 3.39Å; C965-E968 PolarHBondContact O-N 3.26Å; C965-E969 PolarHBondContact O-N 3.01Å
966Q69.1Low73.5Confident100 Ų100104 Ų10447%0.46752%0.515SS..Hα-helixtrans-68.4-40.2176.3-69.8176.4-2.700112.6T962 L963 E968 E969 L970T962-Q966 PolarHBondContact O-N 3.01Å; T962-Q966 VanDerWaalsContact O-N 3.13Å; L963-Q966 WeakPolarHBondContact O-CA 3.39Å; L963-Q966 WeakPolarHBondContact O-CB 3.4Å; L963-Q966 PolarHBondContact O-N 3.22Å; Q966-E968 VanDerWaalsContact C-N 3.34Å; Q966-E969 PolarHBondContact O-N 2.79Å; Q966-L970 WeakPolarHBondContact O-CB 3.32Å; Q966-L970 VanDerWaalsContact O-CG 3.29Å; Q966-L970 WeakPolarHBondContact O-CG 3.48Å; Q966-L970 PolarHBondContact O-N 2.77Å
967D75.3Confident73.7Confident91 Ų91101.8 Ų101.849%0.48751%0.512SS..Hα-helixtrans-63.6-40.6174.8-73.5-37.8000111.5L963 K964 L970 E971L963-D967 PolarHBondContact O-N 2.96Å; K964-D967 PolarHBondContact O-N 3.02Å; D967-L970 PolarHBondContact O-N 3.14Å; D967-E971 PolarHBondContact O-N 3.43Å
968E80.3Confident74.4Confident112 Ų112102.3 Ų102.352%0.52352%0.515SS..Hα-helixtrans-63-38.9172.4-88.8-166-137.300113.4K964 C965 Q966 K972K964-E968 WeakPolarHBondContact O-CB 3.3Å; K964-E968 PolarHBondContact O-N 3.06Å; C965-E968 PolarHBondContact O-N 3.26Å; Q966-E968 VanDerWaalsContact C-N 3.34Å; E968-K972 WeakPolarHBondContact O-CD 3.36Å; E968-K972 WeakPolarHBondContact O-CE 3.45Å; E968-K972 VanDerWaalsContact O-CG 3.23Å; E968-K972 WeakPolarHBondContact O-CG 3.38Å; E968-K972 PolarHBondContact O-N 3.25Å; E968-K972 VanDerWaalsContact O-N 3.11Å; E968-K972 IonicContact OE2-NZ 3.5Å; E968-K972 PolarHBondContact OE2-NZ 2.98Å
969E74.9Confident75.1Confident123 Ų123101.2 Ų101.258%0.57551%0.51SS*.Hα-helixtrans-68-38.5173.4-75.2-170.6154.800111.7C965 Q966 K972 M973C965-E969 PolarHBondContact O-N 3.01Å; Q966-E969 PolarHBondContact O-N 2.79Å; E969-K972 PolarHBondContact O-N 3Å; E969-M973 WeakPolarHBondContact O-CB 3.46Å; E969-M973 VanDerWaalsContact O-CG 3.3Å; E969-M973 WeakPolarHBondContact O-CG 3.13Å; E969-M973 PolarHBondContact O-N 3.38Å
970L71.4Confident75.2Confident89 Ų89100 Ų10047%0.46650%0.504SS..Hα-helixtrans-65.5-35.8174.8-73.3170.8000112.4Q966 D967 M973 R974Q966-L970 WeakPolarHBondContact O-CB 3.32Å; Q966-L970 VanDerWaalsContact O-CG 3.29Å; Q966-L970 WeakPolarHBondContact O-CG 3.48Å; Q966-L970 PolarHBondContact O-N 2.77Å; D967-L970 PolarHBondContact O-N 3.14Å; L970-M973 PolarHBondContact O-N 3.01Å; L970-R974 PolarHBondContact O-N 3.29Å
971E80.6Confident75.7Confident97 Ų97100.6 Ų100.645%0.45350%0.504SS..Hα-helixtrans-68.7-45.6175.2-153.161.5-144.500111.4D967 M973 R974 E975D967-E971 PolarHBondContact O-N 3.43Å; E971-M973 PolarHBondContact O-N 3.48Å; E971-R974 WeakPolarHBondContact O-CA 3.43Å; E971-R974 WeakPolarHBondContact O-CB 3.44Å; E971-R974 PolarHBondContact O-N 3.01Å; E971-R974 IonicContact OE1-NE 3.28Å; E971-R974 IonicContact OE2-CZ 2.7Å; E971-R974 IonicContact OE2-NE 2.85Å; E971-R974 PolarHBondContact OE2-NE 3.06Å; E971-R974 IonicContact OE2-NH2 3.08Å; E971-R974 PolarHBondContact OE2-NH2 3.34Å; E971-E975 PolarHBondContact O-N 3.08Å
972K82.2Confident76.3Confident107 Ų107102.3 Ų102.347%0.46550%0.504SS..Hα-helixtrans-59.3-36.9173.5-67.8156.7-161.9158.90111.4E968 E969 V976E968-K972 WeakPolarHBondContact O-CD 3.36Å; E968-K972 WeakPolarHBondContact O-CE 3.45Å; E968-K972 VanDerWaalsContact O-CG 3.23Å; E968-K972 WeakPolarHBondContact O-CG 3.38Å; E968-K972 PolarHBondContact O-N 3.25Å; E968-K972 VanDerWaalsContact O-N 3.11Å; E968-K972 IonicContact OE2-NZ 3.5Å; E968-K972 PolarHBondContact OE2-NZ 2.98Å; E969-K972 PolarHBondContact O-N 3Å; K972-V976 WeakPolarHBondContact O-CB 3.45Å; K972-V976 VanDerWaalsContact O-CG2 3.29Å; K972-V976 WeakPolarHBondContact O-CG2 3.48Å; K972-V976 PolarHBondContact O-N 3.39Å
973M67.1Low76.8Confident115 Ų115103.4 Ų103.457%0.56751%0.507SS*.Hα-helixtrans-69.2-34.1172.9-75.7-64.6-61.800113.2E969 L970 E971 C977E969-M973 WeakPolarHBondContact O-CB 3.46Å; E969-M973 VanDerWaalsContact O-CG 3.3Å; E969-M973 WeakPolarHBondContact O-CG 3.13Å; E969-M973 PolarHBondContact O-N 3.38Å; L970-M973 PolarHBondContact O-N 3.01Å; E971-M973 PolarHBondContact O-N 3.48Å; M973-C977 WeakPolarHBondContact O-CB 3.37Å; M973-C977 PolarHBondContact O-N 3.36Å; M973-C977 PolarHBondContact O-SG 3.36Å; M973-C977 VanDerWaalsContact O-SG 3.34Å
974R77.3Confident77Confident122 Ų122104.8 Ų104.846%0.4651%0.514SS..Hα-helixtrans-63.9-49.3171.2-80.8-176.2-85.1-84.42.8111.4L970 E971 V976 C977 E978L970-R974 PolarHBondContact O-N 3.29Å; E971-R974 WeakPolarHBondContact O-CA 3.43Å; E971-R974 WeakPolarHBondContact O-CB 3.44Å; E971-R974 PolarHBondContact O-N 3.01Å; E971-R974 IonicContact OE1-NE 3.28Å; E971-R974 IonicContact OE2-CZ 2.7Å; E971-R974 IonicContact OE2-NE 2.85Å; E971-R974 PolarHBondContact OE2-NE 3.06Å; E971-R974 IonicContact OE2-NH2 3.08Å; E971-R974 PolarHBondContact OE2-NH2 3.34Å; R974-V976 VanDerWaalsContact C-N 3.32Å; R974-V976 PolarHBondContact O-N 2.96Å; R974-C977 WeakPolarHBondContact O-CA 3.34Å; R974-C977 WeakPolarHBondContact O-CB 3.45Å; R974-C977 PolarHBondContact O-N 2.94Å; R974-E978 PolarHBondContact O-N 3.48Å
975E83.6Confident76.9Confident111 Ų111103.5 Ų103.552%0.51951%0.505SS..Hα-helixtrans-56.1-45.9176-68.7-174.2152.800111.7E971 C977 E978 Q979E971-E975 PolarHBondContact O-N 3.08Å; E975-C977 VanDerWaalsContact C-N 3.31Å; E975-C977 PolarHBondContact O-N 2.93Å; E975-E978 PolarHBondContact O-N 3Å; E975-Q979 WeakPolarHBondContact O-CB 3.47Å; E975-Q979 VanDerWaalsContact O-CG 3.29Å; E975-Q979 WeakPolarHBondContact O-CG 3.4Å; E975-Q979 PolarHBondContact O-N 3.44Å
976V79.6Confident77.4Confident66 Ų66104.3 Ų104.340%0.450%0.502SS..Hα-helixtrans-63.7-35.5176.7169.30000111.7K972 R974 N980K972-V976 WeakPolarHBondContact O-CB 3.45Å; K972-V976 VanDerWaalsContact O-CG2 3.29Å; K972-V976 WeakPolarHBondContact O-CG2 3.48Å; K972-V976 PolarHBondContact O-N 3.39Å; R974-V976 VanDerWaalsContact C-N 3.32Å; R974-V976 PolarHBondContact O-N 2.96Å; V976-N980 WeakPolarHBondContact O-CB 3.21Å; V976-N980 PolarHBondContact O-N 2.9Å; V976-N980 PolarHBondContact O-ND2 3.05Å
977C70.8Confident77.5Confident72 Ų72103.5 Ų103.549%0.48650%0.501SS..Hα-helixtrans-66.9-42.4173.3-77.40000112.7M973 R974 E975 N980 Q981M973-C977 WeakPolarHBondContact O-CB 3.37Å; M973-C977 PolarHBondContact O-N 3.36Å; M973-C977 PolarHBondContact O-SG 3.36Å; M973-C977 VanDerWaalsContact O-SG 3.34Å; R974-C977 WeakPolarHBondContact O-CA 3.34Å; R974-C977 WeakPolarHBondContact O-CB 3.45Å; R974-C977 PolarHBondContact O-N 2.94Å; E975-C977 VanDerWaalsContact C-N 3.31Å; E975-C977 PolarHBondContact O-N 2.93Å; C977-N980 PolarHBondContact O-N 2.76Å; C977-Q981 PolarHBondContact O-N 2.9Å
978E83Confident77.6Confident136 Ų136104.5 Ų104.564%0.63650%0.503SS*.Hα-helixtrans-65.1-44.7175.9-71.5-152.912000112.2R974 E975 N980 Q981 Q982R974-E978 PolarHBondContact O-N 3.48Å; E975-E978 PolarHBondContact O-N 3Å; E978-N980 VanDerWaalsContact C-N 3.31Å; E978-N980 PolarHBondContact O-N 2.73Å; E978-Q981 CarbonylContact O-C 3.57Å; E978-Q981 PolarHBondContact O-N 3.42Å; E978-Q981 VanDerWaalsContact O-N 3.13Å; E978-Q982 PolarHBondContact O-N 3.42Å
979Q82.7Confident77.6Confident115 Ų115103 Ų10354%0.53750%0.497SS..Hα-helixtrans-58.1-43.4174.9-71.217428.600111.3E975 Q982 L983E975-Q979 WeakPolarHBondContact O-CB 3.47Å; E975-Q979 VanDerWaalsContact O-CG 3.29Å; E975-Q979 WeakPolarHBondContact O-CG 3.4Å; E975-Q979 PolarHBondContact O-N 3.44Å; Q979-Q982 PolarHBondContact O-N 3.22Å; Q979-L983 WeakPolarHBondContact O-CB 3.38Å; Q979-L983 WeakPolarHBondContact O-CG 3.49Å; Q979-L983 PolarHBondContact O-N 2.92Å
980N70.3Confident77.6Confident86 Ų86101.9 Ų101.946%0.4649%0.494SS..Hα-helixtrans-65-40.4174.3-83.6-74.4000112.6V976 C977 E978 Q982 L983 L984V976-N980 WeakPolarHBondContact O-CB 3.21Å; V976-N980 PolarHBondContact O-N 2.9Å; V976-N980 PolarHBondContact O-ND2 3.05Å; C977-N980 PolarHBondContact O-N 2.76Å; E978-N980 VanDerWaalsContact C-N 3.31Å; E978-N980 PolarHBondContact O-N 2.73Å; N980-Q982 VanDerWaalsContact C-N 3.29Å; N980-Q982 PolarHBondContact O-N 2.97Å; N980-L983 PolarHBondContact O-N 3.01Å; N980-L984 WeakPolarHBondContact O-CB 3.33Å; N980-L984 VanDerWaalsContact O-CG 3.29Å; N980-L984 WeakPolarHBondContact O-CG 3.46Å; N980-L984 PolarHBondContact O-N 3.19Å
981Q77.8Confident77.6Confident121 Ų121103.9 Ų103.957%0.56550%0.499SS*.Hα-helixtrans-64.1-32.8173.2-76.3-16613.300112.9C977 E978 R985C977-Q981 PolarHBondContact O-N 2.9Å; E978-Q981 CarbonylContact O-C 3.57Å; E978-Q981 PolarHBondContact O-N 3.42Å; E978-Q981 VanDerWaalsContact O-N 3.13Å; Q981-R985 WeakPolarHBondContact O-CG 3.42Å; Q981-R985 PolarHBondContact O-N 3.46Å; Q981-R985 VanDerWaalsContact O-N 3.1Å; Q981-R985 PolarHBondContact O-NE 3.39Å
982Q82Confident77.2Confident105 Ų105104.9 Ų104.949%0.49150%0.504SS..Hα-helixtrans-73.6-45176.8-173.4160.1-33.400111.2E978 Q979 N980 L984 R985 E986E978-Q982 PolarHBondContact O-N 3.42Å; Q979-Q982 PolarHBondContact O-N 3.22Å; N980-Q982 VanDerWaalsContact C-N 3.29Å; N980-Q982 PolarHBondContact O-N 2.97Å; Q982-L984 VanDerWaalsContact C-N 3.27Å; Q982-L984 PolarHBondContact O-N 3.28Å; Q982-R985 PolarHBondContact O-N 3.24Å; Q982-R985 VanDerWaalsContact O-N 3.13Å; Q982-E986 WeakPolarHBondContact O-CG 3.4Å; Q982-E986 PolarHBondContact O-N 2.98Å
983L81.8Confident76.8Confident92 Ų92105.8 Ų105.848%0.48251%0.508SS..Hα-helixtrans-61.3-32.9173-71.1170.9000112.7Q979 N980 N987Q979-L983 WeakPolarHBondContact O-CB 3.38Å; Q979-L983 WeakPolarHBondContact O-CG 3.49Å; Q979-L983 PolarHBondContact O-N 2.92Å; N980-L983 PolarHBondContact O-N 3.01Å; L983-N987 WeakPolarHBondContact O-CB 3.42Å; L983-N987 PolarHBondContact O-N 3.13Å; L983-N987 PolarHBondContact O-ND2 3.1Å
984L75.1Confident76.7Confident117 Ų117105 Ų10561%0.61351%0.505SS*.Hα-helixtrans-66-48171.1-78.9168.6000111.8N980 Q982 E986 N987 E988N980-L984 WeakPolarHBondContact O-CB 3.33Å; N980-L984 VanDerWaalsContact O-CG 3.29Å; N980-L984 WeakPolarHBondContact O-CG 3.46Å; N980-L984 PolarHBondContact O-N 3.19Å; Q982-L984 VanDerWaalsContact C-N 3.27Å; Q982-L984 PolarHBondContact O-N 3.28Å; L984-E986 VanDerWaalsContact C-N 3.33Å; L984-E986 PolarHBondContact O-N 2.93Å; L984-N987 WeakPolarHBondContact O-CB 3.42Å; L984-N987 PolarHBondContact O-N 3.36Å; L984-E988 WeakPolarHBondContact O-CB 3.44Å; L984-E988 PolarHBondContact O-N 3.29Å
985R78.3Confident75.9Confident125 Ų125102.9 Ų102.947%0.47251%0.506SS..Hα-helixtrans-59.6-41.3175.2-77.3174.4-80.4169.1-7.4111.9Q981 Q982 E988 I989Q981-R985 WeakPolarHBondContact O-CG 3.42Å; Q981-R985 PolarHBondContact O-N 3.46Å; Q981-R985 VanDerWaalsContact O-N 3.1Å; Q981-R985 PolarHBondContact O-NE 3.39Å; Q982-R985 PolarHBondContact O-N 3.24Å; Q982-R985 VanDerWaalsContact O-N 3.13Å; R985-E988 PolarHBondContact O-N 2.9Å; R985-I989 VanDerWaalsContact O-CG1 3.31Å; R985-I989 WeakPolarHBondContact O-CG1 3.43Å; R985-I989 PolarHBondContact O-N 2.96Å
986E81.8Confident74.7Confident88 Ų88103.5 Ų103.541%0.41151%0.512SS..Hα-helixtrans-65.7-43.2174.9-73176.6-161.900112Q982 L984 E988 I989 I990Q982-E986 WeakPolarHBondContact O-CG 3.4Å; Q982-E986 PolarHBondContact O-N 2.98Å; L984-E986 VanDerWaalsContact C-N 3.33Å; L984-E986 PolarHBondContact O-N 2.93Å; E986-E988 VanDerWaalsContact C-N 3.27Å; E986-E988 PolarHBondContact O-N 3.05Å; E986-I989 PolarHBondContact O-N 3.35Å; E986-I990 WeakPolarHBondContact O-CB 3.5Å; E986-I990 VanDerWaalsContact O-CG1 3.24Å; E986-I990 WeakPolarHBondContact O-CG1 3.49Å; E986-I990 PolarHBondContact O-N 3.28Å
987N71.9Confident73.8Confident83 Ų83106 Ų10644%0.44452%0.522SS..Hα-helixtrans-60.4-36.1172.3-92.8-89.9000112.4L983 L984 I990 K991L983-N987 WeakPolarHBondContact O-CB 3.42Å; L983-N987 PolarHBondContact O-N 3.13Å; L983-N987 PolarHBondContact O-ND2 3.1Å; L984-N987 WeakPolarHBondContact O-CB 3.42Å; L984-N987 PolarHBondContact O-N 3.36Å; N987-I990 PolarHBondContact O-N 3.02Å; N987-K991 WeakPolarHBondContact O-CB 3.42Å; N987-K991 VanDerWaalsContact O-CG 3.26Å; N987-K991 WeakPolarHBondContact O-CG 3.35Å; N987-K991 PolarHBondContact O-N 3.41Å
988E76.6Confident73.1Confident113 Ų113108.9 Ų108.953%0.52853%0.529SS..Hα-helixtrans-72-40.3178.5-163.7149-114.800111.9L984 R985 E986 I990 K991 Q992L984-E988 WeakPolarHBondContact O-CB 3.44Å; L984-E988 PolarHBondContact O-N 3.29Å; R985-E988 PolarHBondContact O-N 2.9Å; E986-E988 VanDerWaalsContact C-N 3.27Å; E986-E988 PolarHBondContact O-N 3.05Å; E988-I990 VanDerWaalsContact C-N 3.34Å; E988-I990 PolarHBondContact O-N 3.07Å; E988-K991 PolarHBondContact O-N 3.48Å; E988-Q992 VanDerWaalsContact O-CG 3.3Å; E988-Q992 WeakPolarHBondContact O-CG 3.39Å; E988-Q992 PolarHBondContact O-N 3.42Å
989I79.9Confident71.8Confident81 Ų81108 Ų10842%0.41553%0.532SS..Hα-helixtrans-62.3-40.1169.6-68.8163.9000111.1R985 E986 Q992 K993R985-I989 VanDerWaalsContact O-CG1 3.31Å; R985-I989 WeakPolarHBondContact O-CG1 3.43Å; R985-I989 PolarHBondContact O-N 2.96Å; E986-I989 PolarHBondContact O-N 3.35Å; I989-Q992 PolarHBondContact O-N 3.36Å; I989-K993 HydrophobicContact CG2-CD 4.11Å; I989-K993 WeakPolarHBondContact O-CB 3.4Å; I989-K993 VanDerWaalsContact O-CG 3.29Å; I989-K993 WeakPolarHBondContact O-CG 3.29Å; I989-K993 PolarHBondContact O-N 2.99Å
990I75.9Confident70.2Confident99 Ų99106.5 Ų106.551%0.50854%0.54SS..Hα-helixtrans-66.2-43.2175.7-71.1164.6000110.7E986 N987 E988 K993 L994E986-I990 WeakPolarHBondContact O-CB 3.5Å; E986-I990 VanDerWaalsContact O-CG1 3.24Å; E986-I990 WeakPolarHBondContact O-CG1 3.49Å; E986-I990 PolarHBondContact O-N 3.28Å; N987-I990 PolarHBondContact O-N 3.02Å; E988-I990 VanDerWaalsContact C-N 3.34Å; E988-I990 PolarHBondContact O-N 3.07Å; I990-K993 PolarHBondContact O-N 3.19Å; I990-L994 WeakPolarHBondContact O-CB 3.19Å; I990-L994 PolarHBondContact O-N 3.21Å
991K71.4Confident69.1Low130 Ų130106.4 Ų106.457%0.56555%0.546SS*.Hα-helixtrans-58.8-48.2173.1-76.5167.4-177.6173.20111.3N987 E988 K993 L994 T995N987-K991 WeakPolarHBondContact O-CB 3.42Å; N987-K991 VanDerWaalsContact O-CG 3.26Å; N987-K991 WeakPolarHBondContact O-CG 3.35Å; N987-K991 PolarHBondContact O-N 3.41Å; E988-K991 PolarHBondContact O-N 3.48Å; K991-K993 PolarHBondContact O-N 2.85Å; K991-L994 WeakPolarHBondContact O-CB 3.22Å; K991-L994 PolarHBondContact O-N 3.3Å; K991-L994 VanDerWaalsContact O-N 3.1Å; K991-T995 PolarHBondContact O-N 2.93Å; K991-T995 PolarHBondContact O-OG1 2.81Å; K991-T995 VanDerWaalsContact O-OG1 3.06Å
992Q72.6Confident67.5Low119 Ų119112.1 Ų112.156%0.55656%0.563SS**Hα-helixtrans-59.8-43.1177-71.4172.815.900112E988 I989 L994 T995 L996E988-Q992 VanDerWaalsContact O-CG 3.3Å; E988-Q992 WeakPolarHBondContact O-CG 3.39Å; E988-Q992 PolarHBondContact O-N 3.42Å; I989-Q992 PolarHBondContact O-N 3.36Å; Q992-L994 PolarHBondContact O-N 3.33Å; Q992-T995 PolarHBondContact O-N 2.92Å; Q992-L996 WeakPolarHBondContact O-CB 3.37Å; Q992-L996 WeakPolarHBondContact O-CG 3.41Å; Q992-L996 PolarHBondContact O-N 2.69Å
993K74.1Confident65.3Low126 Ų126116 Ų11655%0.54858%0.581SS.*Hα-helixtrans-61.8-40.4172.7-73.7169.8-178.9174.70112.2I989 I990 K991 L996 L997I989-K993 HydrophobicContact CG2-CD 4.11Å; I989-K993 WeakPolarHBondContact O-CB 3.4Å; I989-K993 VanDerWaalsContact O-CG 3.29Å; I989-K993 WeakPolarHBondContact O-CG 3.29Å; I989-K993 PolarHBondContact O-N 2.99Å; I990-K993 PolarHBondContact O-N 3.19Å; K991-K993 PolarHBondContact O-N 2.85Å; K993-L996 PolarHBondContact O-N 3.35Å; K993-L997 WeakPolarHBondContact O-CG 3.48Å; K993-L997 PolarHBondContact O-N 3.42Å
994L64.4Low63.2Low98 Ų98120.8 Ų120.851%0.51360%0.598SS.*Hα-helixtrans-65.2-43176.6-156.487.8000111.6I990 K991 Q992 L997 Q998I990-L994 WeakPolarHBondContact O-CB 3.19Å; I990-L994 PolarHBondContact O-N 3.21Å; K991-L994 WeakPolarHBondContact O-CB 3.22Å; K991-L994 PolarHBondContact O-N 3.3Å; K991-L994 VanDerWaalsContact O-N 3.1Å; Q992-L994 PolarHBondContact O-N 3.33Å; L994-L997 PolarHBondContact O-N 2.94Å; L994-Q998 WeakPolarHBondContact O-CB 3.3Å; L994-Q998 WeakPolarHBondContact O-CG 3.3Å; L994-Q998 PolarHBondContact O-N 3.06Å
995T60.5Low61.2Low78 Ų78124.3 Ų124.348%0.47961%0.611SS.*Hα-helixtrans-63.3-41.5175.2-54.70000111.5K991 Q992 Q998 V999K991-T995 PolarHBondContact O-N 2.93Å; K991-T995 PolarHBondContact O-OG1 2.81Å; K991-T995 VanDerWaalsContact O-OG1 3.06Å; Q992-T995 PolarHBondContact O-N 2.92Å; T995-Q998 PolarHBondContact O-N 3.48Å; T995-V999 WeakPolarHBondContact O-CG2 3.41Å; T995-V999 PolarHBondContact O-N 2.97Å
996L59.2Low58.9Low123 Ų123125.6 Ų125.664%0.64463%0.626SS**Hα-helixtrans-63.2-40.2174.4-73.7166.1000112.1Q992 K993 V999 A1000Q992-L996 WeakPolarHBondContact O-CB 3.37Å; Q992-L996 WeakPolarHBondContact O-CG 3.41Å; Q992-L996 PolarHBondContact O-N 2.69Å; K993-L996 PolarHBondContact O-N 3.35Å; L996-V999 PolarHBondContact O-N 3.19Å; L996-A1000 WeakPolarHBondContact O-CB 3.49Å; L996-A1000 PolarHBondContact O-N 3.5Å
997L58.8Low57.3Low118 Ų118126.4 Ų126.462%0.61864%0.639SS**Hα-helixtrans-66.4-36.5173.8-73.5166.1000112.5K993 L994 V999 A1000 S1001K993-L997 WeakPolarHBondContact O-CG 3.48Å; K993-L997 PolarHBondContact O-N 3.42Å; L994-L997 PolarHBondContact O-N 2.94Å; L997-V999 VanDerWaalsContact C-N 3.35Å; L997-A1000 PolarHBondContact O-N 3.4Å; L997-S1001 WeakPolarHBondContact O-CB 3.32Å; L997-S1001 PolarHBondContact O-N 2.89Å; L997-S1001 VanDerWaalsContact O-N 3.11Å
998Q56.1Low55.3Low133 Ų133130.5 Ų130.562%0.62165%0.653SS**Hα-helixtrans-67.9-31.5173.7-75.2174.5-20.500112.8L994 T995L994-Q998 WeakPolarHBondContact O-CB 3.3Å; L994-Q998 WeakPolarHBondContact O-CG 3.3Å; L994-Q998 PolarHBondContact O-N 3.06Å; T995-Q998 PolarHBondContact O-N 3.48Å
999V56.4Low53Low117 Ų117131.5 Ų131.571%0.70966%0.661SS**Hα-helixtrans-78-32.1173.9172.40000112T995 L996 L997T995-V999 WeakPolarHBondContact O-CG2 3.41Å; T995-V999 PolarHBondContact O-N 2.97Å; L996-V999 PolarHBondContact O-N 3.19Å; L997-V999 VanDerWaalsContact C-N 3.35Å
1000A49.5Very low51.1Low84 Ų84134.1 Ų134.169%0.69468%0.682SS**Hα-helixtrans-73.7-26.4176.900000113.5L996 L997 R1002L996-A1000 WeakPolarHBondContact O-CB 3.49Å; L996-A1000 PolarHBondContact O-N 3.5Å; L997-A1000 PolarHBondContact O-N 3.4Å; A1000-R1002 PolarHBondContact O-N 3.07Å
1001S46.5Very low49.2Very low85 Ų85136.9 Ų136.959%0.59470%0.696SS**  trans-9296.5-175.7-1700000113.3L997 Q1003L997-S1001 WeakPolarHBondContact O-CB 3.32Å; L997-S1001 PolarHBondContact O-N 2.89Å; L997-S1001 VanDerWaalsContact O-N 3.11Å; S1001-Q1003 PolarHBondContact O-N 3.46Å
1002R43.8Very low47.3Very low241 Ų241137.9 Ų137.991%0.90971%0.707SS**  trans-90.687.5168-81.5-170.3171.7-166.3-0.1112.1A1000A1000-R1002 PolarHBondContact O-N 3.07Å
1003Q37Very low45.7Very low186 Ų186137.3 Ų137.387%0.86972%0.716SS**  trans-130.8140.1155.9-92.8-174.8-11.300111.4S1001S1001-Q1003 PolarHBondContact O-N 3.46Å
1004K38.2Very low44.2Very low193 Ų193137 Ų13784%0.83973%0.727SS**  trans-96.9143.5177.8-58.9175.9179.4179.20109.1
1005H33Very low42.5Very low191 Ų191139.6 Ų139.688%0.88474%0.742SS**  trans-148.5142.8145.5-107.5-77.7000112.6
1006L29.9Very low41Very low151 Ų151140.7 Ų140.779%0.79175%0.752SS**  trans-109.8176.4169.1-101.373.7000107.5
1007P47.6Very low39.9Very low105 Ų105139.7 Ų139.768%0.68276%0.756SS**  cis-134172.2-22.433.8-16.9000113.2
1008K28.9Very low38.7Very low170 Ų170144.2 Ų144.274%0.73977%0.771SS**  178155.3115.6-102.8-174.2167.6-158.70115.6
1009D29.7Very low37.9Very low133 Ų133145.1 Ų145.171%0.71178%0.775SS**  trans49.593.4151-50.9-15000117.9
1010T39.7Very low36.8Very low137 Ų137149.3 Ų149.384%0.8478%0.78SS**  trans-154.6118.7164.8-59.90000109.3
1011L35.3Very low36.2Very low156 Ų156149.5 Ų149.582%0.81777%0.772SS**  trans-171.7130.3158.3-105.4166.6000110.6
1012L32.3Very low36.1Very low152 Ų152149.9 Ų149.980%0.79677%0.772SS**  trans70.6108.3160.7-57.2168.2000119.9
1013S39Very low35.8Very low106 Ų106144 Ų14474%0.74177%0.765SS**  trans-6.8156.8141.558.50000120.3
1014P43.1Very low35.5Very low121 Ų121144.2 Ų144.279%0.78676%0.763SS**  cis-147.217431.144.5-25.4000119.5
1015D28.9Very low35.4Very low152 Ų152140.9 Ų140.981%0.81376%0.761SS**  trans83.6147.5141.9-127.2-20.8000124.3
1016S28.3Very low35.4Very low100 Ų100141.3 Ų141.370%0.69976%0.761SS**  trans75.8127.3158.973.30000121.9
1017S35.9Very low35.5Very low103 Ų103140.2 Ų140.272%0.7276%0.763SS**  trans-4.5143.2152.156.80000121.8
1018F33Very low34.5Very low212 Ų212140.3 Ų140.393%0.9377%0.766SS**  -141.1151.4115.4-136.9-91.5000112.2
1019E38.9Very low34.6Very low153 Ų153144.1 Ų144.172%0.71578%0.775SS**  trans-116.4132.7-166.9-169-172.9172.100110.3V1021E1019-V1021 HydrophobicContact CG-CG2 3.85Å; E1019-V1021 WeakPolarHBondContact OE1-CG2 3.45Å
1020Y34Very low34.7Very low205 Ų205143.6 Ų143.680%0.80478%0.777SS**  trans-124.5110.2169.1-172.2-97.9000110.5P1022Y1020-P1022 WeakPolarHBondContact O-CD 3.44Å
1021V37.6Very low34.3Very low88 Ų88147 Ų14753%0.53378%0.78SS.*  trans-104.6112.1-177.9-177.40000109.5E1019E1019-V1021 HydrophobicContact CG-CG2 3.85Å; E1019-V1021 WeakPolarHBondContact OE1-CG2 3.45Å
1022P44Very low34Very low92 Ų92146.3 Ų146.360%0.59777%0.773SS**PPolyproline II helixtrans-59.4142.1166.8-22.734.5000110.8Y1020Y1020-P1022 WeakPolarHBondContact O-CD 3.44Å
1023P36.8Very low33.8Very low117 Ų117149.1 Ų149.176%0.7678%0.778SS**PPolyproline II helixtrans-66.2137.6-167.725.6-34.9000113.1P1025P1023-P1025 VanDerWaalsContact O-CD 3.31Å; P1023-P1025 WeakPolarHBondContact O-CD 3.49Å
1024K30.6Very low33.1Very low191 Ų191150.4 Ų150.483%0.8377%0.771SS**PPolyproline II helixtrans-63.6119.1176.5-65.1177.1-178.9174.10111.1
1025P37.3Very low32.4Very low123 Ų123151 Ų15180%0.79977%0.767SS**PPolyproline II helixtrans-64138.8160.228.2-32.7000109.1P1023P1023-P1025 VanDerWaalsContact O-CD 3.31Å; P1023-P1025 WeakPolarHBondContact O-CD 3.49Å
1026K32.7Very low32.2Very low200 Ų200149.7 Ų149.787%0.8776%0.756SS**PPolyproline II helixtrans-72.5145.7177.1-74.8-179.1179.4174.80110.3S1028K1026-S1028 PolarHBondContact O-N 3.19Å
1027P31.4Very low32.2Very low128 Ų128152.4 Ų152.483%0.83176%0.757SS**PPolyproline II helixtrans-75.6121.4-16829.1-35.3000112.7
1028S28Very low31.7Very low107 Ų107152 Ų15275%0.74876%0.755SS**PPolyproline II helixtrans-94.3128.9154-172.80000108.9K1026 V1030K1026-S1028 PolarHBondContact O-N 3.19Å; S1028-V1030 PolarHBondContact O-N 3.34Å; S1028-V1030 VanDerWaalsContact O-N 3.14Å
1029R30.1Very low31.4Very low250 Ų250149.5 Ų149.594%0.94375%0.748SS**  trans-8289.2178.9-79.5179.6169.4170.1-3.3110.5
1030V31.5Very low30.8Very low122 Ų122148.3 Ų148.374%0.73975%0.747SS**  trans-99.6124.3158.4-176.70000107.6S1028S1028-V1030 PolarHBondContact O-N 3.34Å; S1028-V1030 VanDerWaalsContact O-N 3.14Å
1031K30.9Very low30.8Very low208 Ų208145.7 Ų145.790%0.90475%0.745SS**  trans-100.7111.5167.8-96-166.2171.9-170.50108.2
1032E29.3Very low30.4Very low142 Ų142150.4 Ų150.466%0.66476%0.761SS**  trans-64154.5164.2-62166.2131.700110.4F1034E1032-F1034 HydrophobicContact CB-CD2 4.28Å; E1032-F1034 WeakPolarHBondContact OE1-CE2 3.39Å
1033K27.7Very low29.5Very low211 Ų211153 Ų15392%0.91777%0.77SS**  trans-128.8105.4134.3-96-160.7169-162.90108.7
1034F25.6Very low29.2Very low134 Ų134154.2 Ų154.259%0.58877%0.769SS**  trans-45.2163.4143.5-82.2-93.7000111.1E1032E1032-F1034 HydrophobicContact CB-CD2 4.28Å; E1032-F1034 WeakPolarHBondContact OE1-CE2 3.39Å
1035L27.1Very low29Very low134 Ų134153.2 Ų153.270%0.70277%0.765SS**  cis-152.5147.530.7-151.2103.7000109.7
1036E25.3Very low28.5Very low123 Ų123156.4 Ų156.458%0.57576%0.762SS**  16.8153.5127.2-54-179105.700119.3
1037Q28.2Very low28Very low157 Ų157151.7 Ų151.773%0.73475%0.753SS**  cis-166.11804.3-120.4-177.464.700106.5
1038S25.4Very low27.9Very low96 Ų96150.4 Ų150.467%0.67175%0.748SS**  cis-161.9-168.41400000110.8
1039M26.2Very low27.7Very low158 Ų158152.3 Ų152.378%0.77875%0.745SS**  trans-55.4175.8171.2-66.6150.562.800115.9
1040D27.6Very low27.6Very low129 Ų129147.5 Ų147.569%0.6973%0.733SS**  cis-152.7-174.120.8-138.8-23.6000116.2
1041I34.1Very low27.3Very low149 Ų149145.9 Ų145.976%0.76473%0.726SS**  trans-97.5144.2-166.8-62.4157.1000114.4
1042E28.1Very low27.1Very low188 Ų188141.6 Ų141.688%0.87972%0.718SS**  trans-168.9143.9151.9-106.5168.2-158.300108.1
1043D26.4Very low26.9Very low145 Ų145140.9 Ų140.978%0.77572%0.718SS**  cis-147.7173-10.8-164.34.7000109.3
1044L29.3Very low26.9Very low144 Ų144138.7 Ų138.775%0.75471%0.711SS**  trans-115.6178.3-169.4-152.8124.6000112.5
1045K26.8Very low27Very low169 Ų169140.8 Ų140.874%0.73572%0.723SS**  trans83.5153.3174.9-53.1160.6-172.6155.30114.3
1046Y26.5Very low27.1Very low191 Ų191142.6 Ų142.675%0.74973%0.727SS**  cis-140.7141.8-3.3-140.8-131000105.7
1047C23.2Very low27.2Very low100 Ų100144.5 Ų144.568%0.67674%0.741SS**  52.5139.365.5-63.70000112.3
1048S29.1Very low27.2Very low102 Ų102140.6 Ų140.671%0.71374%0.744SS**  cis-167.3-150.5-5.3-173.70000106.9
1049E24.1Very low27.4Very low147 Ų147144.4 Ų144.469%0.68776%0.757SS**  trans80.9133.7158.3-54.8-174.1-161.300116.5
1050H26.3Very low27.4Very low149 Ų149139.9 Ų139.969%0.6975%0.75SS**  cis-153.1132.4-8.2-119.5-59.8000110.6
1051S26.3Very low27.5Very low87 Ų87142 Ų14261%0.60876%0.761SS**  26.8164.8128.968.40000122.7
1052V25.9Very low27.2Very low119 Ų119137.9 Ų137.972%0.72176%0.756SS**  cis-153.5158.717.4-134.90000110.8
1053N25.2Very low27.3Very low127 Ų127136.3 Ų136.368%0.67975%0.754SS**  trans60.8158.4154.3-7319.2000118.7
1054E27.6Very low27.4Very low165 Ų165136.6 Ų136.677%0.77176%0.755SS**  cis-142.9173.110.8-142.4138.4-10800111.9
1055H28Very low27.5Very low178 Ų178136 Ų13682%0.82475%0.753SS**  trans-82.5176175.3-61.7-95.8000111.1
1056E29.8Very low27.6Very low172 Ų172132.7 Ų132.780%0.80474%0.74SS**  cis-145.2162.121.6-68.1175.2138.400113.1
1057D27.6Very low27.6Very low162 Ų162126.7 Ų126.787%0.86674%0.736SS**  trans50.9123.9151.3-62-0.4000124
1058G28.1Very low27.8Very low76 Ų76125.6 Ų125.678%0.78472%0.724SS**  trans153.5108.1157.800000115.8
1059D28.3Very low27.9Very low176 Ų176127.6 Ų127.694%0.94173%0.726SS**  trans-50.8155.2178-46.3-49.4000114.8
1060G27.7Very low28.2Very low63 Ų63127.9 Ų127.965%0.64973%0.728SS**  cis159.7146.30.700000111.2
1061D29.4Very low28.2Very low172 Ų172127.5 Ų127.592%0.9273%0.726SS**  trans59.2143.4-176.4-59.1-14.4000116.5
1062G27.8Very low28.2Very low64 Ų64134.5 Ų134.566%0.6674%0.739SS**  cis98132.816.800000110.8
1063D29.8Very low28.2Very low154 Ų154136 Ų13682%0.82474%0.736SS**  cis-135.6167.8-7.6-78.2-30.3000106.4
1064D28.1Very low28.8Very low151 Ų151134.7 Ų134.781%0.80774%0.735SS**  50.4143.753.5-72-9.3000113.4
1065D31.1Very low28.7Very low132 Ų132133 Ų13371%0.70674%0.736SS**  cis-144.8-163.7-1.4-167.714.7000110.4
1066E29.1Very low28.6Very low100 Ų100133.8 Ų133.847%0.46774%0.737SS.*  trans-39.3163.2155.1-61.3170.8-162.400114.3Q663Q663-E1066 PolarHBondContact NE2-OE1 3.48Å; Q663-E1066 VanDerWaalsContact NE2-OE1 3.13Å; Q663-E1066 PolarHBondContact NE2-OE2 3.41Å; Q663-E1066 PolarHBondContact OE1-OE1 3.06Å
1067G27.6Very low28.4Very low64 Ų64134.1 Ų134.166%0.6674%0.743SS**  cis126.4134.313.200000110.8
1068D27.2Very low28.4Very low78 Ų78132.5 Ų132.542%0.41774%0.739SS.*  trans51.9111.3-179.8-83.938.7000117.3R662R662-D1068 IonicContact CZ-OD1 2.72Å; R662-D1068 IonicContact CZ-OD2 3.73Å; R662-D1068 IonicContact NH1-OD1 2.71Å; R662-D1068 PolarHBondContact NH1-OD1 3.26Å; R662-D1068 IonicContact NH1-OD2 2.67Å; R662-D1068 PolarHBondContact NH1-OD2 2.9Å; R662-D1068 IonicContact NH2-OD2 2.78Å; R662-D1068 PolarHBondContact NH2-OD2 3.43Å
1069D32Very low28.6Very low143 Ų143138.4 Ų138.477%0.76574%0.743SS**  56.1107.875.9-76.3-29000116.5
1070E28.6Very low28.5Very low154 Ų154136.8 Ų136.872%0.7274%0.739SS**  trans-137.8102.1150.5-92.8-68.3169.600110.1K655 W1072K655-E1070 IonicContact NZ-OE1 2.66Å; K655-E1070 PolarHBondContact NZ-OE1 2.79Å; E1070-W1072 PolarHBondContact O-N 3.45Å
1071E28.1Very low28.4Very low140 Ų140139 Ų13965%0.65475%0.745SS**  trans-75.2109176.6-173.5-154.4169.800110.9K1073E1071-K1073 VanDerWaalsContact CD-NZ 3.35Å; E1071-K1073 PolarHBondContact O-N 3.05Å; E1071-K1073 IonicContact OE1-NZ 2.68Å; E1071-K1073 IonicContact OE2-NZ 2.66Å; E1071-K1073 PolarHBondContact OE2-NZ 3.36Å
1072W24.6Very low28.5Very low234 Ų234141.6 Ų141.689%0.88674%0.741SS**  trans-59.8117.4-177.2-164.859000113.4E1070E1070-W1072 PolarHBondContact O-N 3.45Å
1073K27.2Very low28.8Very low152 Ų152148.1 Ų148.166%0.66175%0.752SS**  trans-112.4136173-82.8174.1-178.5123.70112.8E1071E1071-K1073 VanDerWaalsContact CD-NZ 3.35Å; E1071-K1073 PolarHBondContact O-N 3.05Å; E1071-K1073 IonicContact OE1-NZ 2.68Å; E1071-K1073 IonicContact OE2-NZ 2.66Å; E1071-K1073 PolarHBondContact OE2-NZ 3.36Å
1074P36.5Very low29.2Very low99 Ų99147.4 Ų147.464%0.64375%0.748SS**  trans-102.4160.1-160.338.9-37.3000114.5
1075T25.4Very low29.8Very low129 Ų129147.8 Ų147.879%0.79175%0.748SS**  trans-145.9106.2155.5-62.60000112.9
1076K26.1Very low31Very low194 Ų194149.4 Ų149.484%0.84375%0.751SS**  trans40.8101.1147.2-55.4172.3-173.3170.10118.4
1077L27.2Very low32.5Very low179 Ų179146 Ų14694%0.93774%0.743SS**  trans-90.5157.2147.2-142.988.4000110.9
1078V26.8Very low34.6Very low129 Ų129143.3 Ų143.378%0.78272%0.715SS**  trans-84.3156.6-178.6173.70000111.8V1080V1078-V1080 PolarHBondContact O-N 2.89Å
1079K32.5Very low36.5Very low200 Ų200144.4 Ų144.487%0.8773%0.728SS**  trans-44.2129178.9-61.5170.2179.3171.70113.9
1080V25.2Very low38.3Very low141 Ų141138.9 Ų138.986%0.85570%0.701SS**  trans-127.2156.8148.3-176.60000108.3V1078V1078-V1080 PolarHBondContact O-N 2.89Å
1081S27.1Very low40Very low110 Ų110140.9 Ų140.977%0.76971%0.707SS**  trans-80.5157.1-160.547.20000116.2
1082R31.1Very low41.5Very low226 Ų226134.3 Ų134.385%0.85368%0.677SS**  trans-49.2138.9175.7-63.7172.6175.1158.3-4.8113.3
1083K32.7Very low43.1Very low201 Ų201133.7 Ų133.787%0.87467%0.674SS**  trans-111.7144.1133.8-73.9-175.7177179.70107.7
1084N38.8Very low45.1Very low140 Ų140126.4 Ų126.475%0.74964%0.643SS**  trans-76.8124.6179.2-72.1-7000109.9
1085I41.9Very low46.3Very low158 Ų158123.3 Ų123.381%0.8163%0.628SS**  trans-116.6119.4161.9-60.6177.7000105.4G1087I1085-G1087 VanDerWaalsContact C-N 3.33Å; I1085-G1087 PolarHBondContact O-N 3.12Å
1086Q54.8Low47.9Very low166 Ų166122.2 Ų122.278%0.77662%0.618SS**  trans-96.246-162.5-164.8160-39.900112.6
1087G61.4Low49.5Very low29 Ų29122.8 Ų122.830%0.29962%0.62SS.*SBendtrans-161.6173.3-178.100000113.9I1085 D1111 C1112I1085-G1087 VanDerWaalsContact C-N 3.33Å; I1085-G1087 PolarHBondContact O-N 3.12Å; G1087-D1111 WeakPolarHBondContact CA-O 3.46Å; G1087-C1112 VanDerWaalsContact CA-SG 3.57Å
1088C71.9Confident51.1Low8 Ų8122.7 Ų122.75%0.05462%0.615CS.*  trans-116.7149.2174.878.40000112.2C1112 C1113C1088-C1112 PolarHBondContact N-SG 2.98Å; C1088-C1112 VanDerWaalsContact N-SG 3.4Å; C1088-C1112 CarbonylContact O-C 3.59Å; C1088-C1113 PolarHBondContact O-N 3.07Å
1089S66Low53.3Low101 Ų101116.7 Ų116.771%0.70658%0.579SS**  trans-105.623.1-175.950.20000113.5K1091S1089-K1091 PolarHBondContact O-N 2.91Å
1090C69.9Low55Low27 Ų27108.7 Ų108.718%0.18255%0.553CS.*  trans-71.9124.3-177.3-46.90000110.1G1092 C1114C1090-G1092 PolarHBondContact O-N 3.38Å; C1090-C1114 WeakPolarHBondContact O-CA 3.04Å; C1090-C1114 WeakPolarHBondContact O-CB 3.41Å
1091K64.1Low57.5Low196 Ų196102.5 Ų102.585%0.85252%0.516SS*.SBendtrans-69.164.1179.2-66.6-174.8177.1-175.50112.7S1089 W1093S1089-K1091 PolarHBondContact O-N 2.91Å; K1091-W1093 VanDerWaalsContact C-N 3.28Å; K1091-W1093 PolarHBondContact O-N 3.3Å
1092G60.1Low59.6Low2 Ų2103 Ų1032%0.02150%0.501CS..SBendtrans82.1-33.4-178.100000115.5C1090 C1094 K1118 C1119C1090-G1092 PolarHBondContact O-N 3.38Å; G1092-C1094 PolarHBondContact O-N 2.91Å; G1092-K1118 CarbonylContact O-C 3.48Å; G1092-K1118 VanDerWaalsContact O-O 3.04Å; G1092-C1119 WeakPolarHBondContact O-CA 3.47Å
1093W58.5Low61.5Low220 Ų220100.5 Ų100.583%0.83350%0.497SS*.  trans-77.948.7-169.3-71.758.5000115.3K1091 G1095K1091-W1093 VanDerWaalsContact C-N 3.28Å; K1091-W1093 PolarHBondContact O-N 3.3Å; W1093-G1095 PolarHBondContact O-N 3.07Å
1094C69.7Low63.2Low0 Ų098.5 Ų98.50%049%0.49CS..THydrogen-bonded Turntrans-70.411.9177.9-600000114.8G1092 N1096 C1099 R1102 C1119 N1121G1092-C1094 PolarHBondContact O-N 2.91Å; C1094-N1096 VanDerWaalsContact C-N 3.34Å; C1094-N1096 PolarHBondContact O-N 2.98Å; C1094-C1099 HydrophobicContact CB-CB 4.19Å; C1094-R1102 PolarHBondContact O-NH1 2.84Å; C1094-R1102 VanDerWaalsContact O-NH1 3.13Å; C1094-C1119 PolarHBondContact SG-SG 3.2Å; C1094-N1121 HydrophobicContact CB-CB 3.55Å
1095G60.5Low64.7Low33 Ų33101.7 Ų101.734%0.3450%0.497SS..THydrogen-bonded Turntrans-68.6-25.717700000114.6W1093 R1102W1093-G1095 PolarHBondContact O-N 3.07Å; G1095-R1102 PolarHBondContact O-NH1 3.06Å
1096N60.4Low66.2Low107 Ų10796.5 Ų96.557%0.57248%0.475SS*.SBendtrans-114.7166.6-168.9-67.7-10.8000113.3C1094 Q1098 C1099C1094-N1096 VanDerWaalsContact C-N 3.34Å; C1094-N1096 PolarHBondContact O-N 2.98Å; N1096-Q1098 PolarHBondContact O-N 3.09Å; N1096-C1099 PolarHBondContact O-N 2.99Å
1097K59.1Low67.4Low205 Ų20592.5 Ų92.589%0.89146%0.459SS*.THydrogen-bonded Turntrans-61.73.7-174.6-64.3-177.7-179.5175.70116.1
1098Q60.4Low68.2Low178 Ų17891.2 Ų91.283%0.83245%0.445SS*.THydrogen-bonded Turntrans-84.9-18.7174.7-70.2171-25.400113N1096 G1100N1096-Q1098 PolarHBondContact O-N 3.09Å; Q1098-G1100 PolarHBondContact O-N 3.16Å
1099C72.2Confident68.3Low2 Ų292.5 Ų92.51%0.01446%0.461CS..  trans-68122.3177.2178.50000112.1C1094 N1096 R1102 K1103C1094-C1099 HydrophobicContact CB-CB 4.19Å; N1096-C1099 PolarHBondContact O-N 2.99Å; C1099-R1102 HydrophobicContact CB-CB 3.92Å; C1099-K1103 VanDerWaalsContact O-CB 3.29Å; C1099-K1103 WeakPolarHBondContact O-CB 3.44Å; C1099-K1103 PolarHBondContact O-N 3.43Å
1100G68.8Low68.4Low33 Ų3393.6 Ų93.634%0.3446%0.462SS..Hα-helixtrans-61.7-47.5-17800000113.9Q1098 K1103 Q1104Q1098-G1100 PolarHBondContact O-N 3.16Å; G1100-K1103 PolarHBondContact O-N 3.08Å; G1100-Q1104 PolarHBondContact O-N 2.99Å
1101C77.5Confident68.3Low11 Ų1197.7 Ų97.77%0.07448%0.483CS..Hα-helixtrans-61.2-51.3178.3-51.90000110.6K1103 Q1104 K1105 S1106C1101-K1103 VanDerWaalsContact C-N 3.27Å; C1101-K1103 PolarHBondContact O-N 2.87Å; C1101-Q1104 CarbonylContact O-C 3.53Å; C1101-Q1104 VanDerWaalsContact O-CA 3.31Å; C1101-Q1104 WeakPolarHBondContact O-CA 3.38Å; C1101-Q1104 WeakPolarHBondContact O-CB 3.48Å; C1101-Q1104 PolarHBondContact O-N 3.43Å; C1101-K1105 PolarHBondContact O-N 3.15Å; C1101-K1105 VanDerWaalsContact O-N 3.07Å; C1101-S1106 CarbonylContact C-O 3.58Å; C1101-S1106 WeakPolarHBondContact CA-OG 3.41Å; C1101-S1106 VanDerWaalsContact CB-O 3.24Å; C1101-S1106 WeakPolarHBondContact CB-O 3.37Å; C1101-S1106 PolarHBondContact O-N 3.07Å; C1101-S1106 PolarHBondContact O-OG 2.99Å
1102R71.9Confident68.8Low120 Ų12089 Ų8945%0.45345%0.447SS..Hα-helixtrans-60.9-34.1178.6-158.8173.4-171.7-174.6-7.7113.1C1094 G1095 C1099 Q1104 K1105 S1106 N1121C1094-R1102 PolarHBondContact O-NH1 2.84Å; C1094-R1102 VanDerWaalsContact O-NH1 3.13Å; G1095-R1102 PolarHBondContact O-NH1 3.06Å; C1099-R1102 HydrophobicContact CB-CB 3.92Å; R1102-Q1104 PolarHBondContact O-N 3.41Å; R1102-K1105 PolarHBondContact O-N 3.45Å; R1102-K1105 VanDerWaalsContact O-N 3.11Å; R1102-S1106 PolarHBondContact N-O 3.27Å; R1102-N1121 WeakPolarHBondContact CB-OD1 3.24Å; R1102-N1121 WeakPolarHBondContact CD-OD1 3.29Å; R1102-N1121 WeakPolarHBondContact CG-OD1 3.01Å
1103K71.8Confident69.2Low174 Ų17494.2 Ų94.276%0.75748%0.481SS*.Hα-helixtrans-67.6-21.3172.7-171.6172.8-179.7178.10113.2C1099 G1100 C1101C1099-K1103 VanDerWaalsContact O-CB 3.29Å; C1099-K1103 WeakPolarHBondContact O-CB 3.44Å; C1099-K1103 PolarHBondContact O-N 3.43Å; G1100-K1103 PolarHBondContact O-N 3.08Å; C1101-K1103 VanDerWaalsContact C-N 3.27Å; C1101-K1103 PolarHBondContact O-N 2.87Å
1104Q67Low70Confident159 Ų15983.9 Ų83.974%0.74344%0.443SS*.THydrogen-bonded Turntrans-97.95.2171.5-64.1179.7700113.3G1100 C1101 R1102 S1106G1100-Q1104 PolarHBondContact O-N 2.99Å; C1101-Q1104 CarbonylContact O-C 3.53Å; C1101-Q1104 VanDerWaalsContact O-CA 3.31Å; C1101-Q1104 WeakPolarHBondContact O-CA 3.38Å; C1101-Q1104 WeakPolarHBondContact O-CB 3.48Å; C1101-Q1104 PolarHBondContact O-N 3.43Å; R1102-Q1104 PolarHBondContact O-N 3.41Å; Q1104-S1106 VanDerWaalsContact C-N 3.29Å; Q1104-S1106 PolarHBondContact O-N 3.39Å
1105K71.3Confident70Confident206 Ų20686.2 Ų86.290%0.89646%0.455SS*.THydrogen-bonded Turntrans5931.8-171.7-56.5-175.9177-176.90114.5C1101 R1102C1101-K1105 PolarHBondContact O-N 3.15Å; C1101-K1105 VanDerWaalsContact O-N 3.07Å; R1102-K1105 PolarHBondContact O-N 3.45Å; R1102-K1105 VanDerWaalsContact O-N 3.11Å
1106S74Confident70.4Confident49 Ų4988.4 Ų88.434%0.34346%0.463SS..  trans-112.7151.5172.253.90000112.3C1101 R1102 Q1104 N1121C1101-S1106 CarbonylContact C-O 3.58Å; C1101-S1106 WeakPolarHBondContact CA-OG 3.41Å; C1101-S1106 VanDerWaalsContact CB-O 3.24Å; C1101-S1106 WeakPolarHBondContact CB-O 3.37Å; C1101-S1106 PolarHBondContact O-N 3.07Å; C1101-S1106 PolarHBondContact O-OG 2.99Å; R1102-S1106 PolarHBondContact N-O 3.27Å; Q1104-S1106 VanDerWaalsContact C-N 3.29Å; Q1104-S1106 PolarHBondContact O-N 3.39Å; S1106-N1121 PolarHBondContact O-ND2 3.08Å; S1106-N1121 VanDerWaalsContact O-ND2 3.12Å
1107D78.6Confident70.6Confident82 Ų8289 Ų8944%0.43947%0.471SS..  trans-79.4158.4173.1-67.1-43.2000111.6G1109 Q1123D1107-G1109 PolarHBondContact O-N 3.2Å; D1107-Q1123 PolarHBondContact OD2-NE2 3.08Å
1108C78.4Confident71.1Confident2 Ų285.5 Ų85.51%0.01446%0.456CS..  trans-84.4100.1-179.9-650000110.4C1112 N1121 R1122C1108-C1112 HydrophobicContact CB-CB 4.1Å; C1108-N1121 WeakPolarHBondContact CB-O 3.38Å; C1108-N1121 PolarHBondContact N-O 2.67Å; C1108-N1121 PolarHBondContact SG-ND2 3.29Å; C1108-R1122 HydrophobicContact CB-CB 4.41Å; C1108-R1122 WeakPolarHBondContact O-CG 3.36Å; C1108-R1122 PolarHBondContact O-NE 3.49Å
1109G73.3Confident71.8Confident36 Ų3677.5 Ų77.537%0.37142%0.419SS..  trans-71.4-152.5-179.700000115.2D1107 R1122D1107-G1109 PolarHBondContact O-N 3.2Å; G1109-R1122 PolarHBondContact O-NE 3.14Å; G1109-R1122 PolarHBondContact O-NH2 3.43Å
1110V69.8Low71.7Confident123 Ų12388 Ų8875%0.74546%0.459SS*.THydrogen-bonded Turntrans-74.7-30.6172.2-100.40000112.5C1112V1110-C1112 PolarHBondContact O-N 2.97Å; V1110-C1112 VanDerWaalsContact O-N 3.11Å
1111D66.5Low72Confident114 Ų11487.1 Ų87.161%0.6145%0.446SS*.THydrogen-bonded Turntrans-76.85.8-176.7-41.8-75.7000114.2G1087G1087-D1111 WeakPolarHBondContact CA-O 3.46Å
1112C74.9Confident72.1Confident14 Ų1490.5 Ų90.510%0.09546%0.458CS..  trans-98.2123.4178.5-65.80000111.1G1087 C1088 C1108 V1110 C1114G1087-C1112 VanDerWaalsContact CA-SG 3.57Å; C1088-C1112 PolarHBondContact N-SG 2.98Å; C1088-C1112 VanDerWaalsContact N-SG 3.4Å; C1088-C1112 CarbonylContact O-C 3.59Å; C1108-C1112 HydrophobicContact CB-CB 4.1Å; V1110-C1112 PolarHBondContact O-N 2.97Å; V1110-C1112 VanDerWaalsContact O-N 3.11Å; C1112-C1114 WeakPolarHBondContact CB-SG 3.32Å; C1112-C1114 PolarHBondContact O-N 3.16Å
1113C68.9Low71.7Confident110 Ų11092 Ų9274%0.74347%0.47SS*.  trans-7225.1174.1-41.90000113.5C1088C1088-C1113 PolarHBondContact O-N 3.07Å
1114C75.5Confident70.7Confident4 Ų492.9 Ų92.93%0.02748%0.476CS..SBendtrans-92.3133.9174.760.60000110.2C1090 C1112 P1116 C1119C1090-C1114 WeakPolarHBondContact O-CA 3.04Å; C1090-C1114 WeakPolarHBondContact O-CB 3.41Å; C1112-C1114 WeakPolarHBondContact CB-SG 3.32Å; C1112-C1114 PolarHBondContact O-N 3.16Å; C1114-P1116 VanDerWaalsContact O-CD 3.28Å; C1114-P1116 WeakPolarHBondContact O-CD 3.4Å; C1114-P1116 VanDerWaalsContact O-N 3.07Å; C1114-C1119 HydrophobicContact CB-CB 4.34Å; C1114-C1119 PolarHBondContact SG-SG 2.99Å
1115D69.3Low69.5Low48 Ų4889.1 Ų89.126%0.25748%0.48SS..  trans-47.3113.9178.2-179.1-25.9000111.5T1117 K1118 C1119D1115-T1117 PolarHBondContact O-N 3.13Å; D1115-T1117 VanDerWaalsContact O-N 3.14Å; D1115-T1117 WeakPolarHBondContact OD1-CA 3.34Å; D1115-T1117 WeakPolarHBondContact OD1-CB 3.46Å; D1115-T1117 PolarHBondContact OD1-N 3.43Å; D1115-T1117 PolarHBondContact OD1-OG1 2.71Å; D1115-K1118 HydrophobicContact CB-CB 4.18Å; D1115-K1118 HydrophobicContact CB-CG 4.45Å; D1115-K1118 PolarHBondContact O-N 3.41Å; D1115-K1118 VanDerWaalsContact O-N 3.15Å; D1115-K1118 PolarHBondContact OD1-N 2.95Å; D1115-K1118 WeakPolarHBondContact OD2-CD 3.48Å; D1115-K1118 WeakPolarHBondContact OD2-CG 3.46Å; D1115-K1118 IonicContact OD2-NZ 3.53Å; D1115-K1118 PolarHBondContact OD2-NZ 2.61Å; D1115-C1119 WeakPolarHBondContact O-CB 3.49Å; D1115-C1119 PolarHBondContact O-N 3.24Å
1116P68.3Low67.6Low79 Ų7989 Ų8951%0.51348%0.48SS..THydrogen-bonded Turntrans-58.2-27.1-177.1-28.436.9000114.5C1114C1114-P1116 VanDerWaalsContact O-CD 3.28Å; C1114-P1116 WeakPolarHBondContact O-CD 3.4Å; C1114-P1116 VanDerWaalsContact O-N 3.07Å
1117T65.4Low65.7Low121 Ų12194.7 Ų94.774%0.74251%0.506SS*.THydrogen-bonded Turntrans-84.9-25-177.768.70000112.7D1115D1115-T1117 PolarHBondContact O-N 3.13Å; D1115-T1117 VanDerWaalsContact O-N 3.14Å; D1115-T1117 WeakPolarHBondContact OD1-CA 3.34Å; D1115-T1117 WeakPolarHBondContact OD1-CB 3.46Å; D1115-T1117 PolarHBondContact OD1-N 3.43Å; D1115-T1117 PolarHBondContact OD1-OG1 2.71Å
1118K69.2Low63.4Low130 Ų13095.4 Ų95.457%0.56552%0.518SS*.THydrogen-bonded Turntrans-106.2-16.5-176.8-56.8-174-174.784.10113.4G1092 D1115 R1120G1092-K1118 CarbonylContact O-C 3.48Å; G1092-K1118 VanDerWaalsContact O-O 3.04Å; D1115-K1118 HydrophobicContact CB-CB 4.18Å; D1115-K1118 HydrophobicContact CB-CG 4.45Å; D1115-K1118 PolarHBondContact O-N 3.41Å; D1115-K1118 VanDerWaalsContact O-N 3.15Å; D1115-K1118 PolarHBondContact OD1-N 2.95Å; D1115-K1118 WeakPolarHBondContact OD2-CD 3.48Å; D1115-K1118 WeakPolarHBondContact OD2-CG 3.46Å; D1115-K1118 IonicContact OD2-NZ 3.53Å; D1115-K1118 PolarHBondContact OD2-NZ 2.61Å; K1118-R1120 PolarHBondContact O-N 2.7Å
1119C74.4Confident61.1Low10 Ų10103.4 Ų103.47%0.06856%0.559CS.*  trans-69.495.7-175.6-176.20000113.6G1092 C1094 C1114 D1115 N1121 R1122G1092-C1119 WeakPolarHBondContact O-CA 3.47Å; C1094-C1119 PolarHBondContact SG-SG 3.2Å; C1114-C1119 HydrophobicContact CB-CB 4.34Å; C1114-C1119 PolarHBondContact SG-SG 2.99Å; D1115-C1119 WeakPolarHBondContact O-CB 3.49Å; D1115-C1119 PolarHBondContact O-N 3.24Å; C1119-N1121 PolarHBondContact O-N 2.99Å; C1119-R1122 HydrophobicContact CB-CB 4.2Å; C1119-R1122 PolarHBondContact O-N 3.15Å
1120R70.4Confident58.9Low223 Ų223104.8 Ų104.884%0.84257%0.574SS**THydrogen-bonded Turntrans-63.712.1171.7-71.2-170.7171.6-163.2-3.2115.9K1118K1118-R1120 PolarHBondContact O-N 2.7Å
1121N76Confident56.9Low14 Ų14105.4 Ų105.48%0.07558%0.578CS.*THydrogen-bonded Turntrans-13025.7178.5-162.585.5000111.4C1094 R1102 S1106 C1108 C1119C1094-N1121 HydrophobicContact CB-CB 3.55Å; R1102-N1121 WeakPolarHBondContact CB-OD1 3.24Å; R1102-N1121 WeakPolarHBondContact CD-OD1 3.29Å; R1102-N1121 WeakPolarHBondContact CG-OD1 3.01Å; S1106-N1121 PolarHBondContact O-ND2 3.08Å; S1106-N1121 VanDerWaalsContact O-ND2 3.12Å; C1108-N1121 WeakPolarHBondContact CB-O 3.38Å; C1108-N1121 PolarHBondContact N-O 2.67Å; C1108-N1121 PolarHBondContact SG-ND2 3.29Å; C1119-N1121 PolarHBondContact O-N 2.99Å
1122R78.3Confident55.1Low83 Ų83105.6 Ų105.631%0.31358%0.583SS.*SBendtrans-123123.6178.2177.2176-123.6-124.48.5108.4C1108 G1109 C1119C1108-R1122 HydrophobicContact CB-CB 4.41Å; C1108-R1122 WeakPolarHBondContact O-CG 3.36Å; C1108-R1122 PolarHBondContact O-NE 3.49Å; G1109-R1122 PolarHBondContact O-NE 3.14Å; G1109-R1122 PolarHBondContact O-NH2 3.43Å; C1119-R1122 HydrophobicContact CB-CB 4.2Å; C1119-R1122 PolarHBondContact O-N 3.15Å
1123Q64.4Low52.8Low152 Ų152111.6 Ų111.671%0.7161%0.61SS**  trans-70.4135.5176.2-61.5-168.220.900110.3D1107D1107-Q1123 PolarHBondContact OD2-NE2 3.08Å
1124Q50.6Low50.8Low191 Ų191115.4 Ų115.489%0.89361%0.609SS**  trans-88.2113.4165.2-69.8-177-5.400108.3
1125G41.4Very low48.5Very low80 Ų80120.1 Ų120.183%0.82564%0.637SS**  trans-71.1136.4174.700000111.2
1126K32.5Very low46.6Very low204 Ų204125.2 Ų125.289%0.88766%0.66SS**  trans-85.9128.9159.3-74.4-176.3176-179.70108.4
1127D33.4Very low44.7Very low168 Ų168127.5 Ų127.590%0.89867%0.667SS**  trans-135.8159.5149.4-102.7-46.4000108.4
1128S31Very low42.9Very low97 Ų97126.4 Ų126.468%0.67867%0.665SS**  trans-139.6143.6-157.356.40000113.6
1129L30.1Very low41.1Very low170 Ų170129.6 Ų129.689%0.8968%0.682SS**  176.5129.7124.5-114.691.8000112.3
1130G27.3Very low39Very low66 Ų66132.7 Ų132.768%0.6872%0.715SS**  trans62.1160.5150.300000121.3
1131T26.9Very low36.9Very low135 Ų135127.8 Ų127.883%0.82872%0.715SS**  cis-165.2145.9-17.5-00000110.9
1132V28.1Very low34.6Very low118 Ų118136.9 Ų136.972%0.71575%0.754SS**  trans69.7108.8149.1173.20000119.6
1133E27.8Very low32.2Very low141 Ų141142.4 Ų142.466%0.65978%0.781SS**  trans60.8154.9136.2-64.2-173.4164.900120.6
1134R26.9Very low30.6Very low190 Ų190143.3 Ų143.372%0.71779%0.789SS**  cis-167.3156.34.4-118.5168.5160.2119.83.8106.3
1135T26.6Very low29.5Very low102 Ų102143.6 Ų143.663%0.62679%0.791SS**  cis-171.7159.2-12.48.90000109.6
1136Q29.7Very low28.9Very low156 Ų156146.3 Ų146.373%0.72979%0.786SS**  trans68.4146.4155.2-70.9-174.6-97.600118.6
1137D27.3Very low28.8Very low126 Ų126142.4 Ų142.467%0.67478%0.782SS**  cis-148.1165.71.4-96.8-31.3000112.3
1138S29.3Very low28.7Very low99 Ų99139.9 Ų139.969%0.69277%0.773SS**  trans44.5113.2160.557.60000120
1139E31.6Very low28.5Very low197 Ų197144.2 Ų144.292%0.92178%0.782SS**  64.6131.180-69.2-166.1161.400115.9
1140G28.9Very low28.6Very low74 Ų74142.5 Ų142.576%0.76378%0.778SS**  cis179.2159.6-4.600000113.8
1141S26.6Very low28.5Very low121 Ų121145.9 Ų145.985%0.84679%0.786SS**  trans-154.2122.2171.4-172.60000110.4
1142F28Very low28.6Very low204 Ų204145.1 Ų145.190%0.89578%0.784SS**  trans-88.8147.5-176-85.6-99.9000112.7
1143K28.4Very low28.7Very low199 Ų199142.9 Ų142.987%0.86578%0.784SS**  trans-119.9148.6161.1-76.2-175.5175.5179.10109.8
1144L29.3Very low28.7Very low171 Ų171145.1 Ų145.190%0.89580%0.8SS**  trans-77.9146.3167-83.366.7000109.9
1145E29.1Very low29.2Very low197 Ų197140.4 Ų140.492%0.92180%0.796SS**  trans-129.6161.3161-89.5-163.6150.600111.3
1146D27.1Very low29.2Very low137 Ų137145.4 Ų145.473%0.73381%0.809SS**  trans-101.2120.6-168.7176.59000111.2T1148D1146-T1148 PolarHBondContact O-N 3.02Å
1147P31.5Very low29.1Very low123 Ų123146 Ų14680%0.79981%0.81SS**  trans-91.170.3-171.136.4-36000114.3
1148T30.6Very low28.9Very low114 Ų114146.7 Ų146.770%0.69981%0.813SS**  trans-139.9126.5155.435.50000110.7D1146D1146-T1148 PolarHBondContact O-N 3.02Å
1149E28.3Very low28.9Very low189 Ų189146.8 Ų146.888%0.88381%0.811SS**  cis-134.6172.66.9-64.5-175.7108.100112.9
1150V31.6Very low28.7Very low133 Ų133144.3 Ų144.381%0.80681%0.809SS**  trans-59140.6-176.2179.30000114.9
1151T24.9Very low28.6Very low137 Ų137146.5 Ų146.584%0.8481%0.812SS**  trans-113.6140.9150.218.30000111.3
1152P29.7Very low28.6Very low120 Ų120144.7 Ų144.778%0.77980%0.804SS**  trans-101163.6-170.138.8-36.1000114.2
1153G28.4Very low28.5Very low70 Ų70141.3 Ų141.372%0.72280%0.801SS**  trans12076.3147.700000118
1154L29.2Very low29.3Very low189 Ų189137.1 Ų137.199%0.9979%0.794SS**  trans-106.8107.8135.8-84.1175.2000107.4
1155S36.2Very low29.1Very low90 Ų90137 Ų13763%0.62979%0.794SS**  trans-103.9133.2-171.955.70000111.8
1156F27Very low28.9Very low208 Ų208131.4 Ų131.491%0.91278%0.777SS**  trans-127.6140.8154.7-117.8-96.5000110.6
1157F27.1Very low28.9Very low168 Ų168133.9 Ų133.974%0.73778%0.781SS**  trans-71.2162.5-171.6-68.8-112.8000111
1158N24.3Very low28.7Very low141 Ų141135.1 Ų135.175%0.75478%0.779SS**  cis-154.517511.1-129.1-8.3000110.3
1159P30.1Very low28.3Very low100 Ų100136.1 Ų136.165%0.64978%0.78SS**  trans-89.5171-168.937.7-38.5000115.1
1160V26.6Very low28.2Very low145 Ų145134.3 Ų134.388%0.87977%0.769SS**  trans-124.5141.4158.21790000109.1
1161C27.5Very low27.8Very low120 Ų120134.2 Ų134.281%0.81176%0.76SS**  trans-84.3170.3-166.9-57.50000114.4
1162A25.6Very low27.8Very low83 Ų83135.7 Ų135.769%0.68676%0.759SS**  trans-88.1138.3169.700000112.1
1163T25.4Very low27.5Very low134 Ų134134.2 Ų134.282%0.82275%0.75SS**  trans64.6172.9159.568.10000117.8
1164P46.2Very low27.3Very low111 Ų111137.5 Ų137.572%0.72175%0.751SS**  cis-127.6176.8-47.632.7-18000112
1165N24.1Very low27Very low167 Ų167134.1 Ų134.189%0.89374%0.739SS**  trans-154.2166.6144.4-124.6-42.8000113.7
1166S25.3Very low26.4Very low81 Ų81137.5 Ų137.557%0.56674%0.744SS**  trans-135.5153.4-158.377.40000115.8
1167K27.2Very low26.4Very low189 Ų189134.8 Ų134.882%0.82274%0.735SS**  trans71145.6168.3-56.1165.4-174.7173.90112.3
1168I26.9Very low26.5Very low149 Ų149133 Ų13376%0.76474%0.737SS**  -156126.267.3-93.5171.7000111.9
1169L23.7Very low27.4Very low135 Ų135131.3 Ų131.371%0.70773%0.734SS**  trans52.1134.9134.5-55.8179.2000124.1
1170K25Very low27.3Very low151 Ų151131.4 Ų131.466%0.65774%0.737SS**  trans61.1158.6133.8-68.8169.1156-87.70118.1
1171E24Very low27.3Very low131 Ų131133.3 Ų133.361%0.61273%0.733SS**  cis-151.1155.9-18.5-109.9152.6169.400104.8
1172M24.9Very low27.4Very low167 Ų167136.2 Ų136.282%0.82373%0.732SS**  -152.2145.759.2-72.916463.200107.7
1173C22.9Very low27.4Very low89 Ų89138.5 Ų138.560%0.60174%0.737SS**  74.8138.659.6-620000114.8
1174D23.9Very low28.6Very low139 Ų139137.4 Ų137.474%0.74373%0.733SS**  trans69.1124.6169.7-44.5-36.9000117.9
1175V23.4Very low28.7Very low119 Ų119137.3 Ų137.372%0.72173%0.732SS**  cis90130.826.5-177.50000113.7
1176E24Very low28.8Very low160 Ų160134 Ų13475%0.74873%0.728SS**  trans67.6145.8169.6-82.4177.6-141.200117.2
1177Q25.8Very low29.7Very low152 Ų152135.1 Ų135.171%0.7173%0.733SS**  cis-139155.2-6.1-87.1146.138.900106.8
1178V29.6Very low29.7Very low130 Ų130131.1 Ų131.179%0.78873%0.729SS**  cis69.6141.744.2176.80000111.8
1179P44.2Very low29.7Very low105 Ų105130.4 Ų130.468%0.68273%0.726SS**  cis-133.1-177.46.635.3-14.5000118
1180S26.8Very low29.9Very low102 Ų102132.2 Ų132.271%0.71373%0.728SS**  trans88149.4145.387.10000119.4
1181K27.9Very low30Very low185 Ų185131.7 Ų131.780%0.80473%0.733SS**  cis-160.2133.1-3-127.3164.3-166.9171.10113.2
1182K28.7Very low29.9Very low182 Ų182132.6 Ų132.679%0.79174%0.741SS**  trans53.2107.6138.8-76.2-167.8174.7-167.40124.5
1183T26.8Very low30.9Very low130 Ų130129 Ų12980%0.79873%0.731SS**  63.3163.212041.10000123.7
1184P49.8Very low31.1Very low112 Ų112132.8 Ų132.873%0.72774%0.739SS**  trans-119.2-143.6-150.349.1-37.5000113.3
1185P48.7Very low31.1Very low108 Ų108131.8 Ų131.870%0.70173%0.733SS**  cis-140.7163.5-15.638.8-19.7000119.1
1186A26.1Very low31.2Very low97 Ų97133.4 Ų133.480%0.80273%0.731SS**  trans55.4-171.3148.900000118.7
1187P44Very low31.3Very low106 Ų106133.7 Ų133.769%0.68873%0.732SS**  cis-130.9-179.9-22.339.4-22.9000115.1
1188S27.3Very low31.4Very low104 Ų104132.4 Ų132.473%0.72773%0.734SS**  trans65167.8147.271.40000119.3
1189L26.9Very low31.3Very low134 Ų134130.8 Ų130.870%0.70273%0.734SS**  cis-165.2155.1-20.2-114.7173.5000108.6
1190F27Very low30.5Very low173 Ų173132.2 Ų132.276%0.75974%0.741SS**  trans59166.5167.8-65.5-64.9000115.9
1191D26.5Very low30.6Very low140 Ų140134.8 Ų134.875%0.74974%0.742SS**  cis-145.1173.5-0.1-137.8-28.2000112.4
1192L23.9Very low30.7Very low151 Ų151134.8 Ų134.879%0.79174%0.738SS**  trans-84-178.6164.6-109.9100.8000110.4
1193P45.6Very low30.7Very low92 Ų92132.9 Ų132.960%0.59773%0.732SS**  cis-137.9-178.31.236.3-14.6000116.6
1194E25.8Very low30.8Very low168 Ų168133 Ų13379%0.78572%0.723SS**  trans81.1156.2130.7-95.9-176.215700126.9
1195L24.3Very low29.8Very low117 Ų117132.7 Ų132.761%0.61372%0.716SS**  trans82.185.2150.2-101.583000123.2
1196K25.6Very low28.8Very low154 Ų154136.1 Ų136.167%0.6772%0.72SS**  71.2117114.7-73.3-178.8-164170.10122.7
1197H26.2Very low29.2Very low166 Ų166135.8 Ų135.877%0.76972%0.717SS**  trans74.5165.6130.1-68.8-56.7000121.7
1198V27.1Very low29.4Very low124 Ų124136.3 Ų136.375%0.75272%0.72SS**  trans65.493.2173.4-162.10000112.9
1199A29.2Very low29.4Very low96 Ų96134.9 Ų134.979%0.79372%0.722SS**  cis65.185.231.900000114.5
1200T26.7Very low29.7Very low136 Ų136137.6 Ų137.683%0.83473%0.728SS**  trans-146.8134.2152.631.80000109.7
1201E28.5Very low30.2Very low156 Ų156138.6 Ų138.673%0.72973%0.732SS**  trans-74.8156.5168.3-59.1150.5115.300110.6
1202Y30.1Very low30.6Very low185 Ų185141.4 Ų141.473%0.72574%0.738SS**  160.5143.6111.7-97.4-75.2000113.9
1203Q29.3Very low30.9Very low142 Ų142143.5 Ų143.566%0.66474%0.741SS**  trans24.6144.6136.7-83.5-178.8-46.600121.4
1204E28.1Very low30.2Very low132 Ų132150.8 Ų150.862%0.61776%0.756SS**  cis-174.3175.7-3.8-154173.1-110.300109.4
1205N29.5Very low30.5Very low105 Ų105146.6 Ų146.656%0.56175%0.75SS**  trans69.1156157.2-69.9-56.4000117.6
1206K27.5Very low30.7Very low181 Ų181149 Ų14979%0.78776%0.763SS**  cis-153.7153.41.1-124.4151.9-160.4157.80110.5
1207A33.6Very low30.9Very low90 Ų90146 Ų14674%0.74477%0.766SS**  trans-85.4166.9167.500000111.8
1208P48.9Very low31.4Very low116 Ų116142.8 Ų142.875%0.75376%0.762SS**  -155160.89039.3-20.7000117.8
1209G27.6Very low31.5Very low75 Ų75143.7 Ų143.777%0.77376%0.763SS**  trans-160.2135.8168.800000113.8
1210K33.8Very low31.5Very low190 Ų190144.8 Ų144.883%0.82676%0.76SS**  trans-156.8152-161.1-64.3172.6-174.31660109.6
1211K35.6Very low31.8Very low194 Ų194142.7 Ų142.784%0.84375%0.751SS**  cis-167.8167.6-3.9-140.2-178.4-176.7-178.10109.4
1212K35.2Very low31.9Very low199 Ų199143.2 Ų143.287%0.86575%0.751SS**  trans100.4117.1159-60.1168.8173.4174.40120.9
1213K31Very low32Very low196 Ų196142.7 Ų142.785%0.85275%0.753SS**  -178128.3107.4-93.5171.7-178.3178.50108.2
1214R31.4Very low32.1Very low245 Ų245141 Ų14193%0.92576%0.757SS**  57.9136.792.2-80.2-166.2170.9179.4-2.8115.2
1215A30.5Very low32.1Very low79 Ų79137.5 Ų137.565%0.65376%0.756SS**  cis-173.4173.2-1200000111.8
1216L29.6Very low32.3Very low169 Ų169138.7 Ų138.789%0.88577%0.771SS**  trans73.7139.4167-55.3172.9000116.1
1217A30Very low32.5Very low89 Ų89135.7 Ų135.774%0.73677%0.773SS**  cis115.5141.415.900000111
1218S35.3Very low33.1Very low99 Ų99137.2 Ų137.269%0.69278%0.775SS**  cis-164.1-173.7-4.854.50000111.8
1219N30Very low32.2Very low144 Ų144139.7 Ų139.777%0.7778%0.78SS**  trans85.9134.7170-56.39.4000115.1
1220T29.1Very low33Very low119 Ų119145 Ų14573%0.7379%0.785SS**  cis-154.7126.5-0.813.10000107.3
1221S32.7Very low32.9Very low91 Ų91145.4 Ų145.464%0.63679%0.79SS**  59141.388.982.30000115.2
1222F32.1Very low33.3Very low167 Ų167145.1 Ų145.173%0.73279%0.791SS**  cis-166.7-174.1-7.8-117.3-27.8000108.4
1223F31.4Very low33.7Very low175 Ų175139.6 Ų139.677%0.76878%0.783SS**  cis-128.3-12211-135.3-53.3000114.1
1224S31.6Very low33.9Very low106 Ų106142.6 Ų142.674%0.74180%0.799SS**  trans-152.4161.5-170.2-1730000112.5
1225G27.9Very low34.1Very low58 Ų58137.5 Ų137.560%0.59879%0.793SS**  trans-89.4176.4160.900000113.1
1226C33.7Very low34.3Very low131 Ų131140.5 Ų140.589%0.88580%0.8SS**  trans64.7123.9171.9-600000119.1
1227S31.1Very low34.5Very low118 Ų118138.9 Ų138.983%0.82580%0.796SS**  trans-154.7123.9141.7-82.10000109.2
1228P45.8Very low34.8Very low121 Ų121141.9 Ų141.979%0.78680%0.799SS**  trans-90.8152.1166.735.9-31.6000111.1
1229I31.1Very low34.8Very low168 Ų168144.6 Ų144.686%0.86281%0.806SS**  trans-134.9141.6163.3-66.4-177000107.2
1230E43.2Very low35.1Very low188 Ų188144.6 Ų144.688%0.87981%0.808SS**  trans-82.7139.8176.1-59.8165.6120.500110.1
1231E33.5Very low35.5Very low198 Ų198146.4 Ų146.493%0.92581%0.814SS**  trans-152.9159.1155.1-131.5164.1-146.700110.7
1232E44.1Very low35.7Very low187 Ų187150.7 Ų150.787%0.87483%0.828SS**  trans-95.2169.3-164.1-58.6-178.8112.600113.9
1233A42.8Very low36Very low83 Ų83149.3 Ų149.369%0.68684%0.836SS**  trans42.4111.7156.700000118.1
1234H36.1Very low36.4Very low259 Ų259147 Ų147100%1.19984%0.842SS**  -162.3082.2-108.2-66.9000115.3

Retrieved 1,234 of 1,234 residues in 1339.3 ms (Link to these results)

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