A0A5K4F869_SCHMA Loading...

RNA polymerase III subunit C3

AlphaFold DB , UniProt , Accession A0A5K4F869, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 387 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M46.7Very low67.2Low239 Ų239140.2 Ų140.2100%1.17769%0.687SS**  0108.50-67.8-177.7-16600106.5E3M1-E3 PolarHBondContact O-N 3.3Å
2Q54.2Low68.5Low195 Ų195134.8 Ų134.891%0.91166%0.659SS**  trans-73.6106.3167.3-81.2174.3-11.600105.5Y4Q2-Y4 PolarHBondContact O-N 3.18Å; Q2-Y4 VanDerWaalsContact O-N 3.15Å
3E52.5Low69.6Low149 Ų149133.8 Ų133.870%0.69665%0.649SS**  trans-50.8123.2165.1-76.9179.4161.500106.9M1 Q5M1-E3 PolarHBondContact O-N 3.3Å; E3-Q5 HydrophobicContact CB-CG 3.94Å; E3-Q5 PolarHBondContact O-N 3.15Å; E3-Q5 PolarHBondContact OE2-NE2 2.76Å
4Y60.1Low69.9Low185 Ų185131.5 Ų131.573%0.72563%0.631SS**  trans-70.281.6174.2-153.4-98.2000106.7Q2 S6 L8Q2-Y4 PolarHBondContact O-N 3.18Å; Q2-Y4 VanDerWaalsContact O-N 3.15Å; Y4-S6 WeakPolarHBondContact CD1-OG 3.17Å; Y4-S6 WeakPolarHBondContact CE1-OG 2.92Å; Y4-S6 PolarHBondContact O-N 3.14Å; Y4-S6 VanDerWaalsContact O-N 3.14Å; Y4-L8 HydrophobicContact CE1-CD1 4.25Å
5Q61.4Low70.5Confident169 Ų169126.4 Ų126.479%0.7963%0.627SS**  trans-77.214-177.3-71.1-168.5-12.100112.7E3E3-Q5 HydrophobicContact CB-CG 3.94Å; E3-Q5 PolarHBondContact O-N 3.15Å; E3-Q5 PolarHBondContact OE2-NE2 2.76Å
6S74.1Confident71.2Confident66 Ų66129 Ų12946%0.46264%0.637SS.*SBendtrans-97.2145.8174.860.10000111.2Y4 L8Y4-S6 WeakPolarHBondContact CD1-OG 3.17Å; Y4-S6 WeakPolarHBondContact CE1-OG 2.92Å; Y4-S6 PolarHBondContact O-N 3.14Å; Y4-S6 VanDerWaalsContact O-N 3.14Å; S6-L8 PolarHBondContact O-N 3.12Å; S6-L8 VanDerWaalsContact O-N 3.12Å
7T70.6Confident71.9Confident98 Ų98129.2 Ų129.260%0.60163%0.633SS**  trans-63.9110.5176-51.50000109.9
8L73.3Confident72.7Confident122 Ų122130.6 Ų130.664%0.63963%0.632SS**SBendtrans-74.2-37.8-178.6-170.667.2000112.5Y4 S6Y4-L8 HydrophobicContact CE1-CD1 4.25Å; S6-L8 PolarHBondContact O-N 3.12Å; S6-L8 VanDerWaalsContact O-N 3.12Å
9F78.4Confident73.4Confident133 Ų133125.2 Ų125.258%0.58361%0.605SS**  trans-139.5125178.5-61.8-72.4000110.9V11F9-V11 HydrophobicContact CB-CG2 4.13Å
10H81.7Confident74.2Confident107 Ų107121.1 Ų121.150%0.49559%0.588SS.*  trans-81.4122.3160.2-65.6-67.9000108.6T20 D21H10-T20 WeakPolarHBondContact O-CA 3.4Å; H10-D21 VanDerWaalsContact CB-OD2 3.25Å; H10-D21 WeakPolarHBondContact CB-OD2 2.86Å; H10-D21 IonicContact CD2-OD2 3.87Å; H10-D21 IonicContact CG-OD2 3.69Å; H10-D21 PolarHBondContact O-N 3.43Å
11V86.1Confident74.9Confident79 Ų79118.1 Ų118.148%0.47958%0.575SS.*EExtended strand (participates in β ladder)trans-119130-178-176.40000109F9 Y18 F19F9-V11 HydrophobicContact CB-CG2 4.13Å; V11-Y18 HydrophobicContact CG1-CD1 3.78Å; V11-Y18 HydrophobicContact CG1-CG 4.16Å; V11-F19 CarbonylContact C-O 3.59Å; V11-F19 WeakPolarHBondContact CA-O 3.38Å
12H82.6Confident76.9Confident75 Ų75111.7 Ų111.735%0.34755%0.549SS..EExtended strand (participates in β ladder)trans-110.4129179-59-94.9000109.7Y14 Y18 F19 D21 L24H12-Y14 HydrophobicContact CB-CD2 4.1Å; H12-Y14 HydrophobicContact CB-CE2 3.82Å; H12-Y18 CarbonylContact O-C 3.49Å; H12-Y18 WeakPolarHBondContact O-CA 3.48Å; H12-F19 PolarHBondContact N-O 3.22Å; H12-F19 PolarHBondContact O-N 3.42Å; H12-D21 IonicContact CD2-OD1 2.9Å; H12-D21 PolarHBondContact CD2-OD1 3.31Å; H12-D21 IonicContact CE1-OD1 2.97Å; H12-D21 IonicContact NE2-OD1 3.43Å; H12-D21 PolarHBondContact NE2-OD1 3.28Å; H12-L24 HydrophobicContact CB-CD1 3.96Å; H12-L24 VanDerWaalsContact CD2-CD1 3.4Å; H12-L24 WeakPolarHBondContact CD2-CD1 3.26Å
13K83.1Confident78.6Confident122 Ų122106.9 Ų106.953%0.5353%0.525SS..EExtended strand (participates in β ladder)trans-86.7127.1174.1-174.6178177.3176.50110G15 K17 Y18K13-G15 WeakPolarHBondContact CE-O 3.48Å; K13-G15 VanDerWaalsContact CG-O 3.26Å; K13-G15 WeakPolarHBondContact CG-O 3.43Å; K13-K17 WeakPolarHBondContact CA-O 3.48Å; K13-Y18 HydrophobicContact CB-CD1 4.05Å; K13-Y18 HydrophobicContact CB-CE1 3.87Å; K13-Y18 HydrophobicContact CD-CE1 4.08Å; K13-Y18 HydrophobicContact CG-CD1 4.37Å; K13-Y18 HydrophobicContact CG-CE1 3.98Å
14Y74.4Confident80.4Confident102 Ų102100.8 Ų100.840%0.450%0.498SS..EExtended strand (participates in β ladder)trans-12998.4173.2-81.6-94.2000109H12 E16 K17 F19 L24 L57H12-Y14 HydrophobicContact CB-CD2 4.1Å; H12-Y14 HydrophobicContact CB-CE2 3.82Å; Y14-E16 PolarHBondContact O-N 2.82Å; Y14-K17 PolarHBondContact N-O 2.78Å; Y14-K17 PolarHBondContact O-N 3.18Å; Y14-F19 AromaticContact CD2-CD2 3.54Å; Y14-F19 HydrophobicContact CD2-CD2 3.54Å; Y14-F19 HydrophobicContact CD2-CE2 4.1Å; Y14-F19 HydrophobicContact CE2-CD2 4.35Å; Y14-F19 AromaticContact CG-CD2 3.94Å; Y14-F19 HydrophobicContact CG-CD2 3.94Å; Y14-F19 HydrophobicContact CG-CE2 4.01Å; Y14-L24 HydrophobicContact CE2-CD1 4.26Å; Y14-L24 HydrophobicContact CE2-CD2 4.25Å; Y14-L57 HydrophobicContact CD1-CD1 4.39Å; Y14-L57 HydrophobicContact CE1-CD1 3.9Å
15G77.9Confident81.9Confident55 Ų5596.8 Ų96.857%0.56749%0.488SS*.THydrogen-bonded Turntrans60.6-130.5-168.400000110.4K13 K17K13-G15 WeakPolarHBondContact CE-O 3.48Å; K13-G15 VanDerWaalsContact CG-O 3.26Å; K13-G15 WeakPolarHBondContact CG-O 3.43Å; G15-K17 VanDerWaalsContact C-N 3.27Å; G15-K17 PolarHBondContact O-N 2.81Å
16E82.6Confident83.5Confident168 Ų16891.7 Ų91.779%0.78548%0.476SS*.THydrogen-bonded Turntrans-855.9177.9-58.3-50.4122.800114Y14Y14-E16 PolarHBondContact O-N 2.82Å
17K82.5Confident84.4Confident133 Ų13389.1 Ų89.158%0.57846%0.457SS*.EExtended strand (participates in β ladder)trans-109.5146-178.6-65.7-176.2178.9-179.40111.6K13 Y14 G15 F19K13-K17 WeakPolarHBondContact CA-O 3.48Å; Y14-K17 PolarHBondContact N-O 2.78Å; Y14-K17 PolarHBondContact O-N 3.18Å; G15-K17 VanDerWaalsContact C-N 3.27Å; G15-K17 PolarHBondContact O-N 2.81Å; K17-F19 HydrophobicContact CB-CE1 4.34Å; K17-F19 HydrophobicContact CB-CE2 4.29Å; K17-F19 HydrophobicContact CB-CZ 3.93Å; K17-F19 HydrophobicContact CD-CZ 4.16Å
18Y86.5Confident85.6Confident154 Ų15488.2 Ų88.260%0.60445%0.445SS*.EExtended strand (participates in β ladder)trans-111.9130.4174.4-67.5-87.6000109.5V11 H12 K13V11-Y18 HydrophobicContact CG1-CD1 3.78Å; V11-Y18 HydrophobicContact CG1-CG 4.16Å; H12-Y18 CarbonylContact O-C 3.49Å; H12-Y18 WeakPolarHBondContact O-CA 3.48Å; K13-Y18 HydrophobicContact CB-CD1 4.05Å; K13-Y18 HydrophobicContact CB-CE1 3.87Å; K13-Y18 HydrophobicContact CD-CE1 4.08Å; K13-Y18 HydrophobicContact CG-CD1 4.37Å; K13-Y18 HydrophobicContact CG-CE1 3.98Å
19F85Confident86.7Confident28 Ų2884.6 Ų84.612%0.12343%0.433CS..EExtended strand (participates in β ladder)trans-121137.5-179.6-61.8-56.2000110.9V11 H12 Y14 K17 F23 L24 L57V11-F19 CarbonylContact C-O 3.59Å; V11-F19 WeakPolarHBondContact CA-O 3.38Å; H12-F19 PolarHBondContact N-O 3.22Å; H12-F19 PolarHBondContact O-N 3.42Å; Y14-F19 AromaticContact CD2-CD2 3.54Å; Y14-F19 HydrophobicContact CD2-CD2 3.54Å; Y14-F19 HydrophobicContact CD2-CE2 4.1Å; Y14-F19 HydrophobicContact CE2-CD2 4.35Å; Y14-F19 AromaticContact CG-CD2 3.94Å; Y14-F19 HydrophobicContact CG-CD2 3.94Å; Y14-F19 HydrophobicContact CG-CE2 4.01Å; K17-F19 HydrophobicContact CB-CE1 4.34Å; K17-F19 HydrophobicContact CB-CE2 4.29Å; K17-F19 HydrophobicContact CB-CZ 3.93Å; K17-F19 HydrophobicContact CD-CZ 4.16Å; F19-F23 HydrophobicContact CB-CD1 3.95Å; F19-F23 AromaticContact CD1-CD1 3.32Å; F19-F23 HydrophobicContact CD1-CD1 3.32Å; F19-F23 AromaticContact CD1-CE1 3.29Å; F19-F23 HydrophobicContact CD1-CE1 3.29Å; F19-F23 HydrophobicContact CD1-CG 4.23Å; F19-F23 HydrophobicContact CD1-CZ 4.17Å; F19-F23 AromaticContact CE1-CD1 3.99Å; F19-F23 HydrophobicContact CE1-CD1 3.99Å; F19-F23 AromaticContact CE1-CE1 3.43Å; F19-F23 HydrophobicContact CE1-CE1 3.43Å; F19-F23 VanDerWaalsContact CE1-CE1 3.43Å; F19-F23 HydrophobicContact CE1-CZ 4.03Å; F19-F23 AromaticContact CG-CD1 3.8Å; F19-F23 HydrophobicContact CG-CD1 3.8Å; F19-F23 AromaticContact CG-CE1 3.98Å; F19-F23 HydrophobicContact CG-CE1 3.98Å; F19-F23 HydrophobicContact CZ-CE1 4.22Å; F19-L24 HydrophobicContact CB-CD1 4.43Å; F19-L24 HydrophobicContact CB-CD2 3.89Å; F19-L24 HydrophobicContact CB-CG 3.93Å; F19-L24 HydrophobicContact CD2-CD2 4.17Å; F19-L24 HydrophobicContact CG-CD2 4.22Å; F19-L57 HydrophobicContact CE2-CD2 4.42Å
20T90.9Very high87.5Confident43 Ų4383.4 Ų83.426%0.26443%0.427SS..EExtended strand (participates in β ladder)trans-80.6158.2170.9590000110.9H10 T22 F23 L24H10-T20 WeakPolarHBondContact O-CA 3.4Å; T20-T22 PolarHBondContact O-N 2.82Å; T20-T22 PolarHBondContact OG1-OG1 3.38Å; T20-F23 PolarHBondContact O-N 2.7Å; T20-F23 VanDerWaalsContact O-N 3.15Å; T20-F23 WeakPolarHBondContact OG1-CB 3.25Å; T20-F23 PolarHBondContact OG1-N 3.24Å; T20-L24 PolarHBondContact O-N 3.13Å
21D88Confident88.3Confident58 Ų5878.3 Ų78.331%0.3140%0.404SS..Hα-helixtrans-53.6-40169.7-82.4-9.7000112.5H10 H12 F23 L24 N25H10-D21 VanDerWaalsContact CB-OD2 3.25Å; H10-D21 WeakPolarHBondContact CB-OD2 2.86Å; H10-D21 IonicContact CD2-OD2 3.87Å; H10-D21 IonicContact CG-OD2 3.69Å; H10-D21 PolarHBondContact O-N 3.43Å; H12-D21 IonicContact CD2-OD1 2.9Å; H12-D21 PolarHBondContact CD2-OD1 3.31Å; H12-D21 IonicContact CE1-OD1 2.97Å; H12-D21 IonicContact NE2-OD1 3.43Å; H12-D21 PolarHBondContact NE2-OD1 3.28Å; D21-F23 VanDerWaalsContact C-N 3.34Å; D21-F23 PolarHBondContact O-N 3.44Å; D21-L24 PolarHBondContact O-N 2.82Å; D21-N25 VanDerWaalsContact O-CB 3.24Å; D21-N25 WeakPolarHBondContact O-CB 3.46Å; D21-N25 PolarHBondContact O-N 2.96Å; D21-N25 PolarHBondContact O-ND2 3.35Å; D21-N25 VanDerWaalsContact O-ND2 3.13Å
22T89.6Confident88.7Confident104 Ų10479.7 Ų79.764%0.63840%0.4SS*.Hα-helixtrans-60.4-44.4178.451.10000111.6T20 A26T20-T22 PolarHBondContact O-N 2.82Å; T20-T22 PolarHBondContact OG1-OG1 3.38Å; T22-A26 WeakPolarHBondContact O-CB 3.39Å; T22-A26 PolarHBondContact O-N 3.15Å
23F89.9Confident89.4Confident94 Ų9478.5 Ų78.541%0.41241%0.408SS..Hα-helixtrans-66.4-44.3176.3178.3-93.3000111.9F19 T20 D21 N25 A26 T27F19-F23 HydrophobicContact CB-CD1 3.95Å; F19-F23 AromaticContact CD1-CD1 3.32Å; F19-F23 HydrophobicContact CD1-CD1 3.32Å; F19-F23 AromaticContact CD1-CE1 3.29Å; F19-F23 HydrophobicContact CD1-CE1 3.29Å; F19-F23 HydrophobicContact CD1-CG 4.23Å; F19-F23 HydrophobicContact CD1-CZ 4.17Å; F19-F23 AromaticContact CE1-CD1 3.99Å; F19-F23 HydrophobicContact CE1-CD1 3.99Å; F19-F23 AromaticContact CE1-CE1 3.43Å; F19-F23 HydrophobicContact CE1-CE1 3.43Å; F19-F23 VanDerWaalsContact CE1-CE1 3.43Å; F19-F23 HydrophobicContact CE1-CZ 4.03Å; F19-F23 AromaticContact CG-CD1 3.8Å; F19-F23 HydrophobicContact CG-CD1 3.8Å; F19-F23 AromaticContact CG-CE1 3.98Å; F19-F23 HydrophobicContact CG-CE1 3.98Å; F19-F23 HydrophobicContact CZ-CE1 4.22Å; T20-F23 PolarHBondContact O-N 2.7Å; T20-F23 VanDerWaalsContact O-N 3.15Å; T20-F23 WeakPolarHBondContact OG1-CB 3.25Å; T20-F23 PolarHBondContact OG1-N 3.24Å; D21-F23 VanDerWaalsContact C-N 3.34Å; D21-F23 PolarHBondContact O-N 3.44Å; F23-N25 PolarHBondContact O-N 3.03Å; F23-A26 PolarHBondContact O-N 3.08Å; F23-T27 WeakPolarHBondContact CE1-OG1 3.24Å; F23-T27 VanDerWaalsContact O-CB 3.29Å; F23-T27 WeakPolarHBondContact O-CB 3.48Å; F23-T27 PolarHBondContact O-N 3.35Å; F23-T27 PolarHBondContact O-OG1 3.09Å
24L90Very high90.1Very high22 Ų2275.4 Ų75.412%0.11539%0.394CS..Hα-helixtrans-64.6-40.6178.9-70.4-179.9000111.9H12 Y14 F19 T20 D21 T27 K28 L57H12-L24 HydrophobicContact CB-CD1 3.96Å; H12-L24 VanDerWaalsContact CD2-CD1 3.4Å; H12-L24 WeakPolarHBondContact CD2-CD1 3.26Å; Y14-L24 HydrophobicContact CE2-CD1 4.26Å; Y14-L24 HydrophobicContact CE2-CD2 4.25Å; F19-L24 HydrophobicContact CB-CD1 4.43Å; F19-L24 HydrophobicContact CB-CD2 3.89Å; F19-L24 HydrophobicContact CB-CG 3.93Å; F19-L24 HydrophobicContact CD2-CD2 4.17Å; F19-L24 HydrophobicContact CG-CD2 4.22Å; T20-L24 PolarHBondContact O-N 3.13Å; D21-L24 PolarHBondContact O-N 2.82Å; L24-T27 PolarHBondContact O-N 3.32Å; L24-K28 VanDerWaalsContact O-CB 3.24Å; L24-K28 WeakPolarHBondContact O-CB 3.23Å; L24-K28 PolarHBondContact O-N 2.78Å; L24-L57 HydrophobicContact CD2-CD1 4.31Å
25N92.1Very high91.1Very high100 Ų10070.7 Ų70.754%0.53538%0.375SS..Hα-helixtrans-65.9-43.6177.1-73.9-30.3000111.7D21 F23 T27 K28 A29D21-N25 VanDerWaalsContact O-CB 3.24Å; D21-N25 WeakPolarHBondContact O-CB 3.46Å; D21-N25 PolarHBondContact O-N 2.96Å; D21-N25 PolarHBondContact O-ND2 3.35Å; D21-N25 VanDerWaalsContact O-ND2 3.13Å; F23-N25 PolarHBondContact O-N 3.03Å; N25-T27 VanDerWaalsContact C-N 3.35Å; N25-K28 PolarHBondContact O-N 3.4Å; N25-A29 WeakPolarHBondContact O-CB 3.4Å; N25-A29 PolarHBondContact O-N 3.21Å
26A93.7Very high92Very high63 Ų6372.5 Ų72.552%0.52138%0.376SS..Hα-helixtrans-61.9-43.3173.800000111.6T22 F23 A29 K30T22-A26 WeakPolarHBondContact O-CB 3.39Å; T22-A26 PolarHBondContact O-N 3.15Å; F23-A26 PolarHBondContact O-N 3.08Å; A26-A29 PolarHBondContact O-N 2.93Å; A26-K30 WeakPolarHBondContact O-CB 3.36Å; A26-K30 PolarHBondContact O-N 3.41Å
27T93.9Very high92.6Very high11 Ų1167.4 Ų67.47%0.06737%0.368CS..Hα-helixtrans-63.9-44.6177.3-58.80000111.4F23 L24 N25 A29 K30 I31 I53 L57 I61F23-T27 WeakPolarHBondContact CE1-OG1 3.24Å; F23-T27 VanDerWaalsContact O-CB 3.29Å; F23-T27 WeakPolarHBondContact O-CB 3.48Å; F23-T27 PolarHBondContact O-N 3.35Å; F23-T27 PolarHBondContact O-OG1 3.09Å; L24-T27 PolarHBondContact O-N 3.32Å; N25-T27 VanDerWaalsContact C-N 3.35Å; T27-A29 PolarHBondContact O-N 3.05Å; T27-K30 WeakPolarHBondContact O-CB 3.33Å; T27-K30 PolarHBondContact O-N 3.1Å; T27-I31 HydrophobicContact CG2-CD1 3.93Å; T27-I31 WeakPolarHBondContact O-CG1 3.24Å; T27-I31 PolarHBondContact O-N 2.97Å; T27-I53 HydrophobicContact CG2-CD1 3.82Å; T27-I53 HydrophobicContact CG2-CG1 4.26Å; T27-I53 HydrophobicContact CG2-CG2 4.12Å; T27-L57 HydrophobicContact CG2-CD2 4.16Å; T27-I61 HydrophobicContact CG2-CD1 4.23Å
28K95.4Very high93.2Very high79 Ų7962 Ų6234%0.34335%0.346SS..Hα-helixtrans-61.3-42.5175.3-179.4171.4-175.3174.40111.7L24 N25 R32 I61 L65L24-K28 VanDerWaalsContact O-CB 3.24Å; L24-K28 WeakPolarHBondContact O-CB 3.23Å; L24-K28 PolarHBondContact O-N 2.78Å; N25-K28 PolarHBondContact O-N 3.4Å; K28-R32 VanDerWaalsContact O-CB 3.29Å; K28-R32 WeakPolarHBondContact O-CB 3.29Å; K28-R32 PolarHBondContact O-N 2.76Å; K28-I61 HydrophobicContact CB-CD1 4.48Å; K28-I61 HydrophobicContact CB-CG2 4.23Å; K28-I61 HydrophobicContact CG-CG2 3.95Å; K28-L65 HydrophobicContact CG-CD2 4.33Å
29A96.4Very high93.7Very high47 Ų4760.5 Ų60.539%0.38835%0.347SS..Hα-helixtrans-63.3-42.8175.400000111.8N25 A26 T27 R32 G33N25-A29 WeakPolarHBondContact O-CB 3.4Å; N25-A29 PolarHBondContact O-N 3.21Å; A26-A29 PolarHBondContact O-N 2.93Å; T27-A29 PolarHBondContact O-N 3.05Å; A29-R32 PolarHBondContact O-N 2.87Å; A29-G33 PolarHBondContact O-N 3.35Å
30K96.1Very high94.1Very high108 Ų10867.7 Ų67.747%0.4737%0.374SS..Hα-helixtrans-61.2-48.5175.9-173.9-179.9-179-170.90111.9A26 T27 G33 Y34 L51 I53A26-K30 WeakPolarHBondContact O-CB 3.36Å; A26-K30 PolarHBondContact O-N 3.41Å; T27-K30 WeakPolarHBondContact O-CB 3.33Å; T27-K30 PolarHBondContact O-N 3.1Å; K30-G33 PolarHBondContact O-N 3.5Å; K30-Y34 PolarHBondContact O-N 3.08Å; K30-L51 PolarHBondContact NZ-O 3.35Å; K30-I53 HydrophobicContact CD-CD1 4.34Å
31I96.6Very high94.2Very high0 Ų068.4 Ų68.40%038%0.379CS..Hα-helixtrans-61.5-49.3177.4-70.2166.5000110.2T27 G33 Y34 F35 L51 I53 I58 I61 V62 L65T27-I31 HydrophobicContact CG2-CD1 3.93Å; T27-I31 WeakPolarHBondContact O-CG1 3.24Å; T27-I31 PolarHBondContact O-N 2.97Å; I31-G33 PolarHBondContact O-N 2.9Å; I31-Y34 PolarHBondContact O-N 3.5Å; I31-F35 HydrophobicContact CG2-CD2 3.65Å; I31-F35 HydrophobicContact CG2-CE2 3.9Å; I31-F35 WeakPolarHBondContact O-CD2 3.39Å; I31-F35 PolarHBondContact O-N 2.87Å; I31-L51 HydrophobicContact CG1-CD1 4.45Å; I31-I53 HydrophobicContact CD1-CD1 4.06Å; I31-I53 HydrophobicContact CD1-CG2 4.42Å; I31-I53 HydrophobicContact CG1-CD1 3.77Å; I31-I58 HydrophobicContact CD1-CG1 4.09Å; I31-I58 HydrophobicContact CG1-CG1 4.46Å; I31-I61 HydrophobicContact CB-CG2 4.12Å; I31-I61 HydrophobicContact CD1-CB 3.92Å; I31-I61 HydrophobicContact CD1-CD1 3.56Å; I31-I61 HydrophobicContact CD1-CG1 4.31Å; I31-I61 HydrophobicContact CD1-CG2 3.87Å; I31-I61 HydrophobicContact CG2-CG2 3.87Å; I31-V62 HydrophobicContact CG2-CG2 3.72Å; I31-L65 HydrophobicContact CG2-CD1 4.3Å
32R96.1Very high94.5Very high107 Ų10767.3 Ų67.340%0.40437%0.374SS..Hα-helixtrans-55.9-50.8177.5-177.1-179.662.1-177.5-1.3111.1K28 A29 Y34 F35 T36 L65K28-R32 VanDerWaalsContact O-CB 3.29Å; K28-R32 WeakPolarHBondContact O-CB 3.29Å; K28-R32 PolarHBondContact O-N 2.76Å; A29-R32 PolarHBondContact O-N 2.87Å; R32-Y34 VanDerWaalsContact C-N 3.29Å; R32-Y34 PolarHBondContact O-N 2.96Å; R32-F35 PolarHBondContact O-N 2.86Å; R32-T36 VanDerWaalsContact O-CB 3.32Å; R32-T36 WeakPolarHBondContact O-CB 3.39Å; R32-T36 PolarHBondContact O-N 3.5Å; R32-T36 PolarHBondContact O-OG1 3.2Å; R32-L65 HydrophobicContact CB-CD1 3.82Å; R32-L65 HydrophobicContact CB-CD2 4.44Å; R32-L65 HydrophobicContact CG-CD1 4.39Å; R32-L65 HydrophobicContact CG-CD2 4.48Å
33G96.6Very high94.8Very high50 Ų5065.7 Ų65.752%0.51536%0.361SS..Hα-helixtrans-56.9-42.317900000112.8A29 K30 I31A29-G33 PolarHBondContact O-N 3.35Å; K30-G33 PolarHBondContact O-N 3.5Å; I31-G33 PolarHBondContact O-N 2.9Å
34Y97.2Very high94.9Very high58 Ų5861.2 Ų61.223%0.22734%0.342CS..Hα-helixtrans-61.5-58.2175.3-174.7-88.2000111.7K30 I31 R32 T36 G37 V38 V47 K50 L51K30-Y34 PolarHBondContact O-N 3.08Å; I31-Y34 PolarHBondContact O-N 3.5Å; R32-Y34 VanDerWaalsContact C-N 3.29Å; R32-Y34 PolarHBondContact O-N 2.96Å; Y34-T36 VanDerWaalsContact C-N 3.33Å; Y34-T36 PolarHBondContact O-N 3.4Å; Y34-G37 PolarHBondContact O-N 3.3Å; Y34-V38 HydrophobicContact CD1-CG2 3.96Å; Y34-V38 HydrophobicContact CE1-CG2 3.67Å; Y34-V38 WeakPolarHBondContact O-CG2 3.29Å; Y34-V38 PolarHBondContact O-N 2.92Å; Y34-V47 HydrophobicContact CD1-CG1 3.66Å; Y34-V47 HydrophobicContact CD1-CG2 4.39Å; Y34-V47 HydrophobicContact CE1-CB 4.15Å; Y34-V47 HydrophobicContact CE1-CG1 3.48Å; Y34-V47 VanDerWaalsContact CE1-CG1 3.48Å; Y34-V47 HydrophobicContact CE1-CG2 3.48Å; Y34-V47 VanDerWaalsContact CE1-CG2 3.48Å; Y34-V47 HydrophobicContact CG-CG1 4.35Å; Y34-K50 HydrophobicContact CE2-CD 4.02Å; Y34-L51 HydrophobicContact CD2-CD1 4.39Å; Y34-L51 HydrophobicContact CD2-CD2 3.83Å; Y34-L51 HydrophobicContact CD2-CG 4.44Å; Y34-L51 HydrophobicContact CE2-CD2 4.36Å; Y34-L51 HydrophobicContact CG-CD1 4.08Å; Y34-L51 HydrophobicContact CG-CD2 4.32Å
35F97.1Very high95Very high2 Ų262 Ų621%0.00935%0.349CS..Hα-helixtrans-70.2-26.9-172.6-78.5-81.5000113.7I31 R32 G37 V38 V42 L44 V47 I58 V62 L71 F82I31-F35 HydrophobicContact CG2-CD2 3.65Å; I31-F35 HydrophobicContact CG2-CE2 3.9Å; I31-F35 WeakPolarHBondContact O-CD2 3.39Å; I31-F35 PolarHBondContact O-N 2.87Å; R32-F35 PolarHBondContact O-N 2.86Å; F35-G37 PolarHBondContact O-N 2.82Å; F35-V38 PolarHBondContact O-N 3.31Å; F35-V42 HydrophobicContact CD1-CG2 4.32Å; F35-V42 HydrophobicContact CE1-CG2 3.78Å; F35-L44 HydrophobicContact CE1-CD2 3.64Å; F35-L44 HydrophobicContact CE2-CD2 4.49Å; F35-L44 HydrophobicContact CZ-CD2 3.39Å; F35-V47 HydrophobicContact CE1-CG2 4.42Å; F35-V47 HydrophobicContact CE2-CG1 3.81Å; F35-V47 HydrophobicContact CZ-CB 4.08Å; F35-V47 HydrophobicContact CZ-CG1 3.73Å; F35-V47 HydrophobicContact CZ-CG2 4.09Å; F35-I58 HydrophobicContact CE2-CG2 3.96Å; F35-I58 HydrophobicContact CZ-CG2 4.1Å; F35-V62 HydrophobicContact CD2-CG2 3.72Å; F35-V62 HydrophobicContact CE1-CG2 4.44Å; F35-V62 HydrophobicContact CE2-CG2 3.5Å; F35-V62 VanDerWaalsContact CE2-CG2 3.5Å; F35-V62 HydrophobicContact CG-CG2 4.3Å; F35-V62 HydrophobicContact CZ-CG2 3.89Å; F35-L71 HydrophobicContact CB-CD1 3.7Å; F35-L71 HydrophobicContact CB-CD2 3.7Å; F35-L71 HydrophobicContact CB-CG 4.36Å; F35-L71 HydrophobicContact CG-CD2 4.26Å; F35-F82 HydrophobicContact CB-CE1 4.46Å; F35-F82 HydrophobicContact CD1-CB 4.15Å; F35-F82 AromaticContact CD1-CD1 3.48Å; F35-F82 HydrophobicContact CD1-CD1 3.48Å; F35-F82 VanDerWaalsContact CD1-CD1 3.48Å; F35-F82 HydrophobicContact CD1-CD2 4.44Å; F35-F82 AromaticContact CD1-CE1 3.88Å; F35-F82 HydrophobicContact CD1-CE1 3.88Å; F35-F82 AromaticContact CD1-CG 3.77Å; F35-F82 HydrophobicContact CD1-CG 3.77Å; F35-F82 HydrophobicContact CE1-CB 3.8Å; F35-F82 AromaticContact CE1-CD1 3.98Å; F35-F82 HydrophobicContact CE1-CD1 3.98Å; F35-F82 AromaticContact CE1-CG 3.96Å; F35-F82 HydrophobicContact CE1-CG 3.96Å
36T95.9Very high95.1Very high94 Ų9460.8 Ų60.858%0.57735%0.349SS*.Hα-helixtrans-63.5-31.4170.8-62.90000112R32 Y34R32-T36 VanDerWaalsContact O-CB 3.32Å; R32-T36 WeakPolarHBondContact O-CB 3.39Å; R32-T36 PolarHBondContact O-N 3.5Å; R32-T36 PolarHBondContact O-OG1 3.2Å; Y34-T36 VanDerWaalsContact C-N 3.33Å; Y34-T36 PolarHBondContact O-N 3.4Å
37G95.6Very high95.2Very high61 Ų6157.9 Ų57.963%0.62933%0.325SS*.THydrogen-bonded Turntrans-86-4.6178.500000114.9Y34 F35Y34-G37 PolarHBondContact O-N 3.3Å; F35-G37 PolarHBondContact O-N 2.82Å
38V95.7Very high95.2Very high19 Ų1957.8 Ų57.812%0.11533%0.325CS..  trans-80.4127.4-178.4176.70000110Y34 F35 R40 V42 P84Y34-V38 HydrophobicContact CD1-CG2 3.96Å; Y34-V38 HydrophobicContact CE1-CG2 3.67Å; Y34-V38 WeakPolarHBondContact O-CG2 3.29Å; Y34-V38 PolarHBondContact O-N 2.92Å; F35-V38 PolarHBondContact O-N 3.31Å; V38-R40 WeakPolarHBondContact CG1-O 3.29Å; V38-V42 HydrophobicContact CG1-CB 4.42Å; V38-V42 HydrophobicContact CG1-CG1 3.61Å; V38-V42 HydrophobicContact CG1-CG2 3.96Å; V38-V42 HydrophobicContact CG2-CG1 4.43Å; V38-V42 HydrophobicContact CG2-CG2 4.43Å; V38-P84 HydrophobicContact CB-CG 4.23Å; V38-P84 HydrophobicContact CG1-CG 3.67Å; V38-P84 WeakPolarHBondContact O-CB 3.28Å; V38-P84 WeakPolarHBondContact O-CG 3.35Å
39I95.8Very high95.1Very high122 Ų12258.7 Ų58.763%0.62634%0.341SS*.  trans-113.20.418061.8165000114.1Y87I39-Y87 WeakPolarHBondContact O-CD2 3.39Å
40R93.5Very high95.1Very high180 Ų18063.3 Ų63.368%0.67935%0.352SS*.SBendtrans-136.2157.6178.3-72.3-176.8-179.9173.1-0.2110.3V38 V42 Y87V38-R40 WeakPolarHBondContact CG1-O 3.29Å; R40-V42 PolarHBondContact O-N 3.4Å; R40-Y87 HydrophobicContact CB-CD2 4.48Å; R40-Y87 HydrophobicContact CG-CD2 4.22Å; R40-Y87 HydrophobicContact CG-CE2 4.28Å
41P93.4Very high95Very high57 Ų5759 Ų5937%0.3733%0.334SS..  trans-53.4134.9174.3-26.835.2000112.1F82 V83 Y87P41-F82 WeakPolarHBondContact CA-O 2.93Å; P41-V83 HydrophobicContact CB-CG2 4.26Å; P41-V83 HydrophobicContact CG-CG1 4.37Å; P41-V83 HydrophobicContact CG-CG2 4.31Å; P41-Y87 HydrophobicContact CG-CD1 3.92Å; P41-Y87 HydrophobicContact CG-CE1 3.7Å; P41-Y87 HydrophobicContact CG-CE2 4.43Å; P41-Y87 HydrophobicContact CG-CG 4.38Å
42V94.9Very high94.9Very high35 Ų3567.5 Ų67.521%0.21237%0.374CS..EExtended strand (participates in β ladder)trans-130.8144.4178.4-67.60000111.2F35 V38 R40 V47 G81 F82F35-V42 HydrophobicContact CD1-CG2 4.32Å; F35-V42 HydrophobicContact CE1-CG2 3.78Å; V38-V42 HydrophobicContact CG1-CB 4.42Å; V38-V42 HydrophobicContact CG1-CG1 3.61Å; V38-V42 HydrophobicContact CG1-CG2 3.96Å; V38-V42 HydrophobicContact CG2-CG1 4.43Å; V38-V42 HydrophobicContact CG2-CG2 4.43Å; R40-V42 PolarHBondContact O-N 3.4Å; V42-V47 HydrophobicContact CB-CG2 4.22Å; V42-V47 HydrophobicContact CG2-CG2 4.12Å; V42-G81 CarbonylContact O-C 3.48Å; V42-G81 VanDerWaalsContact O-CA 3.25Å; V42-G81 WeakPolarHBondContact O-CA 3.46Å; V42-F82 HydrophobicContact CG2-CB 4.13Å; V42-F82 HydrophobicContact CG2-CD1 4.2Å; V42-F82 PolarHBondContact N-O 3.32Å; V42-F82 PolarHBondContact O-N 2.87Å
43N94.1Very high94.6Very high70 Ų7063.1 Ų63.137%0.37436%0.358SS..EExtended strand (participates in β ladder)trans-83.1128.2171.9-170.5-52.8000110.1S45 S46 V47 S80N43-S45 VanDerWaalsContact C-N 3.3Å; N43-S45 PolarHBondContact O-N 2.95Å; N43-S45 WeakPolarHBondContact OD1-CB 3.47Å; N43-S45 PolarHBondContact OD1-N 3.48Å; N43-S45 PolarHBondContact OD1-OG 3.25Å; N43-S46 WeakPolarHBondContact O-CB 3.27Å; N43-S46 PolarHBondContact O-N 2.84Å; N43-V47 WeakPolarHBondContact O-CG2 3.33Å; N43-V47 PolarHBondContact O-N 2.91Å; N43-V47 VanDerWaalsContact O-N 3.09Å; N43-S80 CarbonylContact C-O 3.49Å; N43-S80 PolarHBondContact OD1-O 2.93Å
44L93.7Very high94.3Very high0 Ų064 Ų640%036%0.355CS..Hα-helixtrans-62.1-33.7-179.6-61.6-179.9000112.5F35 S46 V47 A48 I58 N59 L75 S80 F82F35-L44 HydrophobicContact CE1-CD2 3.64Å; F35-L44 HydrophobicContact CE2-CD2 4.49Å; F35-L44 HydrophobicContact CZ-CD2 3.39Å; L44-S46 VanDerWaalsContact C-N 3.35Å; L44-V47 CarbonylContact O-C 3.56Å; L44-V47 PolarHBondContact O-N 2.72Å; L44-A48 VanDerWaalsContact O-CB 3.27Å; L44-A48 WeakPolarHBondContact O-CB 2.99Å; L44-A48 PolarHBondContact O-N 2.96Å; L44-I58 HydrophobicContact CD2-CG2 4.13Å; L44-N59 WeakPolarHBondContact CD1-OD1 3.38Å; L44-L75 HydrophobicContact CD1-CD2 3.85Å; L44-L75 HydrophobicContact CD2-CD2 4.42Å; L44-S80 VanDerWaalsContact CB-O 3.31Å; L44-S80 WeakPolarHBondContact CB-O 3.25Å; L44-S80 WeakPolarHBondContact CG-O 3.33Å; L44-S80 PolarHBondContact N-O 3.34Å; L44-F82 HydrophobicContact CD2-CB 4.08Å
45S92Very high94Very high39 Ų3964.4 Ų64.427%0.27336%0.359SS..Hα-helixtrans-65.8-38.6176.168.50000111.8N43 A48 S49 E55N43-S45 VanDerWaalsContact C-N 3.3Å; N43-S45 PolarHBondContact O-N 2.95Å; N43-S45 WeakPolarHBondContact OD1-CB 3.47Å; N43-S45 PolarHBondContact OD1-N 3.48Å; N43-S45 PolarHBondContact OD1-OG 3.25Å; S45-A48 PolarHBondContact O-N 3.18Å; S45-S49 PolarHBondContact O-N 3.41Å; S45-S49 PolarHBondContact O-OG 3.38Å; S45-E55 VanDerWaalsContact CB-OE2 3.29Å; S45-E55 WeakPolarHBondContact CB-OE2 3.24Å
46S93.4Very high93.5Very high75 Ų7570.9 Ų70.952%0.52439%0.394SS..Hα-helixtrans-66.3-39.7174-49.40000111.3N43 L44 K50N43-S46 WeakPolarHBondContact O-CB 3.27Å; N43-S46 PolarHBondContact O-N 2.84Å; L44-S46 VanDerWaalsContact C-N 3.35Å; S46-K50 WeakPolarHBondContact O-CB 3.35Å; S46-K50 PolarHBondContact O-N 3.02Å
47V95.5Very high93.2Very high2 Ų266.7 Ų66.71%0.01237%0.368CS..Hα-helixtrans-69-39175.3-179.10000111.5Y34 F35 V42 N43 L44 S49 K50 L51 I58Y34-V47 HydrophobicContact CD1-CG1 3.66Å; Y34-V47 HydrophobicContact CD1-CG2 4.39Å; Y34-V47 HydrophobicContact CE1-CB 4.15Å; Y34-V47 HydrophobicContact CE1-CG1 3.48Å; Y34-V47 VanDerWaalsContact CE1-CG1 3.48Å; Y34-V47 HydrophobicContact CE1-CG2 3.48Å; Y34-V47 VanDerWaalsContact CE1-CG2 3.48Å; Y34-V47 HydrophobicContact CG-CG1 4.35Å; F35-V47 HydrophobicContact CE1-CG2 4.42Å; F35-V47 HydrophobicContact CE2-CG1 3.81Å; F35-V47 HydrophobicContact CZ-CB 4.08Å; F35-V47 HydrophobicContact CZ-CG1 3.73Å; F35-V47 HydrophobicContact CZ-CG2 4.09Å; V42-V47 HydrophobicContact CB-CG2 4.22Å; V42-V47 HydrophobicContact CG2-CG2 4.12Å; N43-V47 WeakPolarHBondContact O-CG2 3.33Å; N43-V47 PolarHBondContact O-N 2.91Å; N43-V47 VanDerWaalsContact O-N 3.09Å; L44-V47 CarbonylContact O-C 3.56Å; L44-V47 PolarHBondContact O-N 2.72Å; V47-S49 PolarHBondContact O-N 3.35Å; V47-K50 PolarHBondContact O-N 2.82Å; V47-L51 HydrophobicContact CG1-CD1 3.64Å; V47-L51 HydrophobicContact CG1-CG 3.95Å; V47-L51 WeakPolarHBondContact O-CB 3.49Å; V47-L51 WeakPolarHBondContact O-CG 3.45Å; V47-L51 PolarHBondContact O-N 3.29Å; V47-I58 HydrophobicContact CG1-CD1 4.12Å
48A93.8Very high93.1Very high8 Ų863.8 Ų63.87%0.06634%0.338CS..Hα-helixtrans-58.4-48.1176.300000111.5L44 S45 K50 L51 Q52 I53 E55 I58L44-A48 VanDerWaalsContact O-CB 3.27Å; L44-A48 WeakPolarHBondContact O-CB 2.99Å; L44-A48 PolarHBondContact O-N 2.96Å; S45-A48 PolarHBondContact O-N 3.18Å; A48-K50 PolarHBondContact O-N 2.9Å; A48-L51 PolarHBondContact O-N 2.9Å; A48-Q52 WeakPolarHBondContact O-CA 3.32Å; A48-Q52 PolarHBondContact O-N 3.46Å; A48-I53 WeakPolarHBondContact CA-O 3.46Å; A48-I53 WeakPolarHBondContact CB-O 3.24Å; A48-I53 PolarHBondContact O-N 2.96Å; A48-I53 VanDerWaalsContact O-N 3.08Å; A48-E55 HydrophobicContact CB-CB 3.86Å; A48-E55 HydrophobicContact CB-CG 4.44Å; A48-I58 VanDerWaalsContact CA-CD1 3.41Å; A48-I58 HydrophobicContact CB-CD1 3.9Å
49S94.3Very high92.9Very high98 Ų9864.9 Ų64.969%0.68534%0.343SS*.Hα-helixtrans-60.8-45.2174.5-56.30000111.5S45 V47 Q52S45-S49 PolarHBondContact O-N 3.41Å; S45-S49 PolarHBondContact O-OG 3.38Å; V47-S49 PolarHBondContact O-N 3.35Å; S49-Q52 PolarHBondContact O-N 3.33Å
50K95.2Very high92.6Very high144 Ų14461.5 Ų61.563%0.62633%0.33SS*.Hα-helixtrans-66-40.9-179.4-176173.3-179.51770113.5Y34 S46 V47 A48 Q52Y34-K50 HydrophobicContact CE2-CD 4.02Å; S46-K50 WeakPolarHBondContact O-CB 3.35Å; S46-K50 PolarHBondContact O-N 3.02Å; V47-K50 PolarHBondContact O-N 2.82Å; A48-K50 PolarHBondContact O-N 2.9Å; K50-Q52 VanDerWaalsContact C-N 3.34Å
51L95Very high92.6Very high17 Ų1753.7 Ų53.79%0.08930%0.302CS..Hα-helixtrans-86.9-7.7-178.9-61.6-176.4000113.1K30 I31 Y34 V47 A48 I53 I58K30-L51 PolarHBondContact NZ-O 3.35Å; I31-L51 HydrophobicContact CG1-CD1 4.45Å; Y34-L51 HydrophobicContact CD2-CD1 4.39Å; Y34-L51 HydrophobicContact CD2-CD2 3.83Å; Y34-L51 HydrophobicContact CD2-CG 4.44Å; Y34-L51 HydrophobicContact CE2-CD2 4.36Å; Y34-L51 HydrophobicContact CG-CD1 4.08Å; Y34-L51 HydrophobicContact CG-CD2 4.32Å; V47-L51 HydrophobicContact CG1-CD1 3.64Å; V47-L51 HydrophobicContact CG1-CG 3.95Å; V47-L51 WeakPolarHBondContact O-CB 3.49Å; V47-L51 WeakPolarHBondContact O-CG 3.45Å; V47-L51 PolarHBondContact O-N 3.29Å; A48-L51 PolarHBondContact O-N 2.9Å; L51-I53 VanDerWaalsContact C-N 3.3Å; L51-I53 HydrophobicContact CB-CD1 3.72Å; L51-I53 HydrophobicContact CB-CG1 4.03Å; L51-I53 HydrophobicContact CD1-CD1 4.19Å; L51-I58 HydrophobicContact CD1-CD1 4.32Å
52Q93.2Very high92.8Very high179 Ų17951 Ų5184%0.83628%0.284SS*.THydrogen-bonded Turntrans55.443.3-172.6-59178.1-3.600112.3A48 S49 K50A48-Q52 WeakPolarHBondContact O-CA 3.32Å; A48-Q52 PolarHBondContact O-N 3.46Å; S49-Q52 PolarHBondContact O-N 3.33Å; K50-Q52 VanDerWaalsContact C-N 3.34Å
53I91.6Very high92.7Very high16 Ų1651.8 Ų51.88%0.08229%0.291CS..  trans-119.1136.5179.8-61.1166.3000107.8T27 K30 I31 A48 L51 E55 L57 I58T27-I53 HydrophobicContact CG2-CD1 3.82Å; T27-I53 HydrophobicContact CG2-CG1 4.26Å; T27-I53 HydrophobicContact CG2-CG2 4.12Å; K30-I53 HydrophobicContact CD-CD1 4.34Å; I31-I53 HydrophobicContact CD1-CD1 4.06Å; I31-I53 HydrophobicContact CD1-CG2 4.42Å; I31-I53 HydrophobicContact CG1-CD1 3.77Å; A48-I53 WeakPolarHBondContact CA-O 3.46Å; A48-I53 WeakPolarHBondContact CB-O 3.24Å; A48-I53 PolarHBondContact O-N 2.96Å; A48-I53 VanDerWaalsContact O-N 3.08Å; L51-I53 VanDerWaalsContact C-N 3.3Å; L51-I53 HydrophobicContact CB-CD1 3.72Å; L51-I53 HydrophobicContact CB-CG1 4.03Å; L51-I53 HydrophobicContact CD1-CD1 4.19Å; I53-E55 PolarHBondContact O-N 3.09Å; I53-L57 HydrophobicContact CG2-CB 4.13Å; I53-L57 HydrophobicContact CG2-CD2 4.03Å; I53-L57 HydrophobicContact CG2-CG 4.23Å; I53-I58 HydrophobicContact CB-CD1 4.06Å; I53-I58 HydrophobicContact CB-CG1 3.89Å; I53-I58 HydrophobicContact CG2-CD1 4.38Å; I53-I58 HydrophobicContact CG2-CG1 3.65Å
54P90.1Very high92.7Very high68 Ų6850.6 Ų50.644%0.44229%0.289SS..  trans-53132.7175.1-25.934.4000111.9N56 L57 I58P54-N56 VanDerWaalsContact C-N 3.26Å; P54-N56 PolarHBondContact O-N 3.27Å; P54-L57 HydrophobicContact CB-CB 4.34Å; P54-L57 WeakPolarHBondContact O-CA 3.22Å; P54-L57 WeakPolarHBondContact O-CB 3.27Å; P54-L57 PolarHBondContact O-N 2.71Å; P54-I58 PolarHBondContact O-N 3.01Å; P54-I58 VanDerWaalsContact O-N 3.08Å
55E89.9Confident92.9Very high67 Ų6750.7 Ų50.731%0.31329%0.289SS..Hα-helixtrans-58.2-36.8-175.3179.6168.3-174.700112.7S45 A48 I53 L57 I58 N59 S80S45-E55 VanDerWaalsContact CB-OE2 3.29Å; S45-E55 WeakPolarHBondContact CB-OE2 3.24Å; A48-E55 HydrophobicContact CB-CB 3.86Å; A48-E55 HydrophobicContact CB-CG 4.44Å; I53-E55 PolarHBondContact O-N 3.09Å; E55-L57 VanDerWaalsContact C-N 3.27Å; E55-L57 PolarHBondContact O-N 3.03Å; E55-I58 PolarHBondContact O-N 2.96Å; E55-N59 VanDerWaalsContact CG-ND2 3.29Å; E55-N59 WeakPolarHBondContact CG-ND2 3.34Å; E55-N59 PolarHBondContact O-N 2.84Å; E55-N59 PolarHBondContact O-ND2 3.21Å; E55-S80 PolarHBondContact OE1-OG 3.22Å
56N87.8Confident93.1Very high137 Ų13750.7 Ų50.773%0.73329%0.286SS*.Hα-helixtrans-60.3-37.7175.2-66.5-17.7000112.4P54 S60P54-N56 VanDerWaalsContact C-N 3.26Å; P54-N56 PolarHBondContact O-N 3.27Å; N56-S60 PolarHBondContact O-N 2.98Å; N56-S60 PolarHBondContact O-OG 3.37Å
57L89Confident93.2Very high6 Ų651.9 Ų51.93%0.03129%0.294CS..Hα-helixtrans-74-35.3178.3-173.460.7000111.2Y14 F19 L24 T27 I53 P54 E55 S60 I61Y14-L57 HydrophobicContact CD1-CD1 4.39Å; Y14-L57 HydrophobicContact CE1-CD1 3.9Å; F19-L57 HydrophobicContact CE2-CD2 4.42Å; L24-L57 HydrophobicContact CD2-CD1 4.31Å; T27-L57 HydrophobicContact CG2-CD2 4.16Å; I53-L57 HydrophobicContact CG2-CB 4.13Å; I53-L57 HydrophobicContact CG2-CD2 4.03Å; I53-L57 HydrophobicContact CG2-CG 4.23Å; P54-L57 HydrophobicContact CB-CB 4.34Å; P54-L57 WeakPolarHBondContact O-CA 3.22Å; P54-L57 WeakPolarHBondContact O-CB 3.27Å; P54-L57 PolarHBondContact O-N 2.71Å; E55-L57 VanDerWaalsContact C-N 3.27Å; E55-L57 PolarHBondContact O-N 3.03Å; L57-S60 PolarHBondContact O-OG 3.04Å; L57-S60 VanDerWaalsContact O-OG 3.09Å; L57-I61 HydrophobicContact CD1-CD1 3.79Å; L57-I61 HydrophobicContact CD1-CG1 4.23Å; L57-I61 HydrophobicContact CG-CD1 3.83Å; L57-I61 WeakPolarHBondContact O-CB 3.44Å; L57-I61 VanDerWaalsContact O-CG1 3.23Å; L57-I61 WeakPolarHBondContact O-CG1 3.29Å; L57-I61 PolarHBondContact O-N 3.2Å; L57-I61 VanDerWaalsContact O-N 3.1Å
58I92.7Very high93.2Very high0 Ų055.5 Ų55.50%032%0.316CS..Hα-helixtrans-63.6-49.7170.8-66.5-159.8000110.6I31 F35 L44 V47 A48 L51 I53 P54 E55 S60 I61 V62I31-I58 HydrophobicContact CD1-CG1 4.09Å; I31-I58 HydrophobicContact CG1-CG1 4.46Å; F35-I58 HydrophobicContact CE2-CG2 3.96Å; F35-I58 HydrophobicContact CZ-CG2 4.1Å; L44-I58 HydrophobicContact CD2-CG2 4.13Å; V47-I58 HydrophobicContact CG1-CD1 4.12Å; A48-I58 VanDerWaalsContact CA-CD1 3.41Å; A48-I58 HydrophobicContact CB-CD1 3.9Å; L51-I58 HydrophobicContact CD1-CD1 4.32Å; I53-I58 HydrophobicContact CB-CD1 4.06Å; I53-I58 HydrophobicContact CB-CG1 3.89Å; I53-I58 HydrophobicContact CG2-CD1 4.38Å; I53-I58 HydrophobicContact CG2-CG1 3.65Å; P54-I58 PolarHBondContact O-N 3.01Å; P54-I58 VanDerWaalsContact O-N 3.08Å; E55-I58 PolarHBondContact O-N 2.96Å; I58-S60 VanDerWaalsContact C-N 3.35Å; I58-S60 PolarHBondContact O-N 3.49Å; I58-I61 PolarHBondContact O-N 3.33Å; I58-V62 HydrophobicContact CG2-CG2 3.86Å; I58-V62 WeakPolarHBondContact O-CB 3.46Å; I58-V62 VanDerWaalsContact O-CG2 3.24Å; I58-V62 WeakPolarHBondContact O-CG2 3.29Å; I58-V62 PolarHBondContact O-N 2.6Å
59N91.8Very high93.3Very high43 Ų4356.9 Ų56.923%0.2333%0.331CS..Hα-helixtrans-56.2-48-179.9-85.3-79.2000111.7L44 E55 S63L44-N59 WeakPolarHBondContact CD1-OD1 3.38Å; E55-N59 VanDerWaalsContact CG-ND2 3.29Å; E55-N59 WeakPolarHBondContact CG-ND2 3.34Å; E55-N59 PolarHBondContact O-N 2.84Å; E55-N59 PolarHBondContact O-ND2 3.21Å; N59-S63 VanDerWaalsContact O-CB 3.27Å; N59-S63 WeakPolarHBondContact O-CB 3.42Å; N59-S63 PolarHBondContact O-N 3.06Å; N59-S63 PolarHBondContact O-OG 2.96Å
60S90.7Very high93.4Very high51 Ų5160 Ų6036%0.35733%0.328SS..Hα-helixtrans-64.8-43.8-179.467.40000112.1N56 L57 I58 S64N56-S60 PolarHBondContact O-N 2.98Å; N56-S60 PolarHBondContact O-OG 3.37Å; L57-S60 PolarHBondContact O-OG 3.04Å; L57-S60 VanDerWaalsContact O-OG 3.09Å; I58-S60 VanDerWaalsContact C-N 3.35Å; I58-S60 PolarHBondContact O-N 3.49Å; S60-S64 WeakPolarHBondContact O-CB 3.49Å; S60-S64 PolarHBondContact O-N 3.39Å
61I93.3Very high93.4Very high16 Ų1653.5 Ų53.58%0.08230%0.3CS..Hα-helixtrans-69.3-44.6-179.9-69.1173.4000111.2T27 K28 I31 L57 I58 S64 L65T27-I61 HydrophobicContact CG2-CD1 4.23Å; K28-I61 HydrophobicContact CB-CD1 4.48Å; K28-I61 HydrophobicContact CB-CG2 4.23Å; K28-I61 HydrophobicContact CG-CG2 3.95Å; I31-I61 HydrophobicContact CB-CG2 4.12Å; I31-I61 HydrophobicContact CD1-CB 3.92Å; I31-I61 HydrophobicContact CD1-CD1 3.56Å; I31-I61 HydrophobicContact CD1-CG1 4.31Å; I31-I61 HydrophobicContact CD1-CG2 3.87Å; I31-I61 HydrophobicContact CG2-CG2 3.87Å; L57-I61 HydrophobicContact CD1-CD1 3.79Å; L57-I61 HydrophobicContact CD1-CG1 4.23Å; L57-I61 HydrophobicContact CG-CD1 3.83Å; L57-I61 WeakPolarHBondContact O-CB 3.44Å; L57-I61 VanDerWaalsContact O-CG1 3.23Å; L57-I61 WeakPolarHBondContact O-CG1 3.29Å; L57-I61 PolarHBondContact O-N 3.2Å; L57-I61 VanDerWaalsContact O-N 3.1Å; I58-I61 PolarHBondContact O-N 3.33Å; I61-S64 PolarHBondContact O-N 2.76Å; I61-L65 HydrophobicContact CG2-CD1 3.8Å; I61-L65 HydrophobicContact CG2-CG 4.21Å; I61-L65 WeakPolarHBondContact O-CB 3.37Å; I61-L65 VanDerWaalsContact O-CG 3.24Å; I61-L65 WeakPolarHBondContact O-CG 3.34Å; I61-L65 PolarHBondContact O-N 3.27Å
62V95.8Very high93.5Very high0 Ų060.4 Ų60.40%033%0.326CS..Hα-helixtrans-61.5-45.9177.6171.30000110.3I31 F35 I58 S64 L65 I66 L71 L75 F82I31-V62 HydrophobicContact CG2-CG2 3.72Å; F35-V62 HydrophobicContact CD2-CG2 3.72Å; F35-V62 HydrophobicContact CE1-CG2 4.44Å; F35-V62 HydrophobicContact CE2-CG2 3.5Å; F35-V62 VanDerWaalsContact CE2-CG2 3.5Å; F35-V62 HydrophobicContact CG-CG2 4.3Å; F35-V62 HydrophobicContact CZ-CG2 3.89Å; I58-V62 HydrophobicContact CG2-CG2 3.86Å; I58-V62 WeakPolarHBondContact O-CB 3.46Å; I58-V62 VanDerWaalsContact O-CG2 3.24Å; I58-V62 WeakPolarHBondContact O-CG2 3.29Å; I58-V62 PolarHBondContact O-N 2.6Å; V62-S64 VanDerWaalsContact C-N 3.34Å; V62-S64 PolarHBondContact O-N 2.72Å; V62-L65 PolarHBondContact O-N 3.09Å; V62-I66 HydrophobicContact CG1-CD1 3.85Å; V62-I66 WeakPolarHBondContact O-CG1 3.44Å; V62-I66 PolarHBondContact O-N 2.82Å; V62-L71 HydrophobicContact CG1-CD2 3.97Å; V62-L75 HydrophobicContact CG1-CD1 4.37Å; V62-L75 HydrophobicContact CG1-CD2 3.82Å; V62-L75 HydrophobicContact CG1-CG 4.32Å; V62-F82 HydrophobicContact CG1-CD2 4.17Å
63S93.7Very high93.6Very high52 Ų5252.2 Ų52.236%0.36429%0.29SS..Hα-helixtrans-58.7-44.7175.9-57.80000111.9N59 I66 S67 L75N59-S63 VanDerWaalsContact O-CB 3.27Å; N59-S63 WeakPolarHBondContact O-CB 3.42Å; N59-S63 PolarHBondContact O-N 3.06Å; N59-S63 PolarHBondContact O-OG 2.96Å; S63-I66 PolarHBondContact O-N 3.45Å; S63-S67 PolarHBondContact O-N 2.96Å; S63-S67 PolarHBondContact O-OG 2.64Å; S63-L75 VanDerWaalsContact OG-CD1 3.22Å; S63-L75 WeakPolarHBondContact OG-CD1 3.43Å
64S94.7Very high93.7Very high45 Ų4556.6 Ų56.632%0.31531%0.313SS..Hα-helixtrans-64.7-39176.2176.10000112.6S60 I61 V62 S67 T68S60-S64 WeakPolarHBondContact O-CB 3.49Å; S60-S64 PolarHBondContact O-N 3.39Å; I61-S64 PolarHBondContact O-N 2.76Å; V62-S64 VanDerWaalsContact C-N 3.34Å; V62-S64 PolarHBondContact O-N 2.72Å; S64-S67 PolarHBondContact O-OG 3.31Å; S64-S67 VanDerWaalsContact O-OG 3.09Å; S64-T68 WeakPolarHBondContact O-CB 3.33Å; S64-T68 VanDerWaalsContact O-CG2 3.29Å; S64-T68 WeakPolarHBondContact O-CG2 3.31Å; S64-T68 PolarHBondContact O-N 3.21Å; S64-T68 PolarHBondContact O-OG1 3.01Å
65L96.6Very high93.8Very high1 Ų156 Ų561%0.00531%0.306CS..Hα-helixtrans-67.7-36.9177.8-72170.4000111.7K28 I31 R32 I61 V62 T68 G69 R70 L71K28-L65 HydrophobicContact CG-CD2 4.33Å; I31-L65 HydrophobicContact CG2-CD1 4.3Å; R32-L65 HydrophobicContact CB-CD1 3.82Å; R32-L65 HydrophobicContact CB-CD2 4.44Å; R32-L65 HydrophobicContact CG-CD1 4.39Å; R32-L65 HydrophobicContact CG-CD2 4.48Å; I61-L65 HydrophobicContact CG2-CD1 3.8Å; I61-L65 HydrophobicContact CG2-CG 4.21Å; I61-L65 WeakPolarHBondContact O-CB 3.37Å; I61-L65 VanDerWaalsContact O-CG 3.24Å; I61-L65 WeakPolarHBondContact O-CG 3.34Å; I61-L65 PolarHBondContact O-N 3.27Å; V62-L65 PolarHBondContact O-N 3.09Å; L65-T68 PolarHBondContact O-OG1 3.33Å; L65-G69 PolarHBondContact O-N 3.41Å; L65-R70 HydrophobicContact CB-CB 4.47Å; L65-R70 HydrophobicContact CD2-CB 3.78Å; L65-R70 WeakPolarHBondContact O-CA 3.33Å; L65-R70 PolarHBondContact O-N 3.41Å; L65-L71 HydrophobicContact CB-CB 3.71Å; L65-L71 HydrophobicContact CB-CD2 4.42Å; L65-L71 PolarHBondContact O-N 3.38Å
66I96.4Very high93.6Very high40 Ų4056.1 Ų56.121%0.20531%0.308CS..Hα-helixtrans-67-50174.5-66.6165.6000110.1V62 S63 T68 G69 L71 G73 L75 F82V62-I66 HydrophobicContact CG1-CD1 3.85Å; V62-I66 WeakPolarHBondContact O-CG1 3.44Å; V62-I66 PolarHBondContact O-N 2.82Å; S63-I66 PolarHBondContact O-N 3.45Å; I66-T68 VanDerWaalsContact C-N 3.26Å; I66-T68 PolarHBondContact O-N 2.92Å; I66-G69 PolarHBondContact O-N 2.97Å; I66-L71 HydrophobicContact CG1-CB 4.3Å; I66-L71 HydrophobicContact CG1-CD2 4.18Å; I66-L71 HydrophobicContact CG1-CG 4.33Å; I66-G73 WeakPolarHBondContact CG2-O 3.39Å; I66-L75 HydrophobicContact CD1-CD1 4.47Å; I66-L75 HydrophobicContact CD1-CD2 4.49Å; I66-L75 HydrophobicContact CD1-CG 3.9Å; I66-F82 HydrophobicContact CD1-CD2 4.16Å; I66-F82 HydrophobicContact CD1-CE2 4.04Å; I66-F82 HydrophobicContact CG1-CE2 4.44Å
67S96Very high93Very high100 Ų10054.4 Ų54.470%0.69931%0.313SS*.Hα-helixtrans-63.9-30.6-17868.80000113.3S63 S64 G69S63-S67 PolarHBondContact O-N 2.96Å; S63-S67 PolarHBondContact O-OG 2.64Å; S64-S67 PolarHBondContact O-OG 3.31Å; S64-S67 VanDerWaalsContact O-OG 3.09Å; S67-G69 VanDerWaalsContact C-N 3.29Å
68T96.4Very high92.2Very high77 Ų7758.5 Ų58.547%0.47236%0.356SS..THydrogen-bonded Turntrans-85.54174.8570000113.9S64 L65 I66 R70S64-T68 WeakPolarHBondContact O-CB 3.33Å; S64-T68 VanDerWaalsContact O-CG2 3.29Å; S64-T68 WeakPolarHBondContact O-CG2 3.31Å; S64-T68 PolarHBondContact O-N 3.21Å; S64-T68 PolarHBondContact O-OG1 3.01Å; L65-T68 PolarHBondContact O-OG1 3.33Å; I66-T68 VanDerWaalsContact C-N 3.26Å; I66-T68 PolarHBondContact O-N 2.92Å; T68-R70 PolarHBondContact O-N 2.88Å; T68-R70 WeakPolarHBondContact OG1-CG 3.32Å
69G95.4Very high91Very high38 Ų3867.5 Ų67.539%0.39239%0.39SS..THydrogen-bonded Turntrans66.915.3-178.900000114.3L65 I66 S67L65-G69 PolarHBondContact O-N 3.41Å; I66-G69 PolarHBondContact O-N 2.97Å; S67-G69 VanDerWaalsContact C-N 3.29Å
70R95.5Very high90.5Very high163 Ų16367.5 Ų67.562%0.61539%0.394SS*.SBendtrans-87-13.7179-64.2-61.8-170.9154.51113.2L65 T68L65-R70 HydrophobicContact CB-CB 4.47Å; L65-R70 HydrophobicContact CD2-CB 3.78Å; L65-R70 WeakPolarHBondContact O-CA 3.33Å; L65-R70 PolarHBondContact O-N 3.41Å; T68-R70 PolarHBondContact O-N 2.88Å; T68-R70 WeakPolarHBondContact OG1-CG 3.32Å
71L96.5Very high90.5Very high7 Ų765.4 Ų65.44%0.03738%0.381CS..SBendtrans-135.1128.3174.3-179.864.4000109.3F35 V62 L65 I66 F82F35-L71 HydrophobicContact CB-CD1 3.7Å; F35-L71 HydrophobicContact CB-CD2 3.7Å; F35-L71 HydrophobicContact CB-CG 4.36Å; F35-L71 HydrophobicContact CG-CD2 4.26Å; V62-L71 HydrophobicContact CG1-CD2 3.97Å; L65-L71 HydrophobicContact CB-CB 3.71Å; L65-L71 HydrophobicContact CB-CD2 4.42Å; L65-L71 PolarHBondContact O-N 3.38Å; I66-L71 HydrophobicContact CG1-CB 4.3Å; I66-L71 HydrophobicContact CG1-CD2 4.18Å; I66-L71 HydrophobicContact CG1-CG 4.33Å; L71-F82 HydrophobicContact CD1-CZ 3.98Å; L71-F82 HydrophobicContact CD2-CD2 4.44Å; L71-F82 HydrophobicContact CD2-CE2 3.72Å; L71-F82 HydrophobicContact CD2-CZ 3.91Å; L71-F82 HydrophobicContact CG-CE2 3.95Å; L71-F82 HydrophobicContact CG-CZ 3.85Å
72Y95.8Very high90.6Very high162 Ų16264.7 Ų64.764%0.63538%0.377SS*.  trans-98.4105-178.4-64.3-81.5000111K85Y72-K85 HydrophobicContact CD1-CD 4.36Å; Y72-K85 PolarHBondContact O-N 2.85Å
73G95.4Very high90.6Very high7 Ų765.8 Ų65.87%0.07238%0.384CS..EExtended strand (participates in β ladder)trans166.6179177.100000109.9I66 V83I66-G73 WeakPolarHBondContact CG2-O 3.39Å; G73-V83 CarbonylContact C-O 3.59Å; G73-V83 WeakPolarHBondContact CA-O 3.09Å
74N93.9Very high90.7Very high109 Ų10963.5 Ų63.558%0.58337%0.367SS*.EExtended strand (participates in β ladder)trans-125.4147.5-177.8-66.9-45.6000110.5V83N74-V83 PolarHBondContact N-O 3.01Å; N74-V83 PolarHBondContact O-N 3.42Å
75L92.6Very high90.7Very high56 Ų5667.2 Ų67.229%0.29338%0.378SS..EExtended strand (participates in β ladder)trans-86.5134.7166.2-67.3178.5000109L44 V62 S63 I66 G81 F82L44-L75 HydrophobicContact CD1-CD2 3.85Å; L44-L75 HydrophobicContact CD2-CD2 4.42Å; V62-L75 HydrophobicContact CG1-CD1 4.37Å; V62-L75 HydrophobicContact CG1-CD2 3.82Å; V62-L75 HydrophobicContact CG1-CG 4.32Å; S63-L75 VanDerWaalsContact OG-CD1 3.22Å; S63-L75 WeakPolarHBondContact OG-CD1 3.43Å; I66-L75 HydrophobicContact CD1-CD1 4.47Å; I66-L75 HydrophobicContact CD1-CD2 4.49Å; I66-L75 HydrophobicContact CD1-CG 3.9Å; L75-G81 WeakPolarHBondContact CA-O 3.45Å; L75-F82 HydrophobicContact CD2-CB 4.09Å; L75-F82 HydrophobicContact CD2-CD2 4.27Å
76I85.7Confident90.7Very high69 Ų6970.5 Ų70.535%0.35440%0.4SS..PPolyproline II helixtrans-76.7127.4176-59.7165.5000108.2G78 R79 G81 V83I76-G78 PolarHBondContact O-N 3.46Å; I76-R79 HydrophobicContact CB-CB 4.16Å; I76-R79 HydrophobicContact CG2-CB 3.86Å; I76-R79 HydrophobicContact CG2-CG 4.17Å; I76-R79 PolarHBondContact O-N 3.07Å; I76-G81 PolarHBondContact N-O 3.39Å; I76-V83 HydrophobicContact CD1-CG2 3.58Å; I76-V83 HydrophobicContact CG1-CG2 3.75Å
77A75.4Confident90.6Very high100 Ų10070.7 Ų70.783%0.82640%0.399SS*.THydrogen-bonded Turntrans-63.2132.7175.800000110.8R79A77-R79 PolarHBondContact O-N 3.39Å
78G72.1Confident90.4Very high92 Ų9268 Ų6895%0.94838%0.378SS*.THydrogen-bonded Turntrans73.9-13.417800000115.9I76I76-G78 PolarHBondContact O-N 3.46Å
79R67.2Low90.3Very high189 Ų18972 Ų7271%0.71339%0.385SS*.SBendtrans-113.9121170.7-59.9-178.5179.1176-0.7106.6I76 A77 G81I76-R79 HydrophobicContact CB-CB 4.16Å; I76-R79 HydrophobicContact CG2-CB 3.86Å; I76-R79 HydrophobicContact CG2-CG 4.17Å; I76-R79 PolarHBondContact O-N 3.07Å; A77-R79 PolarHBondContact O-N 3.39Å; R79-G81 PolarHBondContact O-N 2.92Å
80S81.4Confident90.3Very high43 Ų4372.8 Ų72.830%0.30139%0.389SS..  trans-68.863.3176.853.90000111N43 L44 E55N43-S80 CarbonylContact C-O 3.49Å; N43-S80 PolarHBondContact OD1-O 2.93Å; L44-S80 VanDerWaalsContact CB-O 3.31Å; L44-S80 WeakPolarHBondContact CB-O 3.25Å; L44-S80 WeakPolarHBondContact CG-O 3.33Å; L44-S80 PolarHBondContact N-O 3.34Å; E55-S80 PolarHBondContact OE1-OG 3.22Å
81G91.5Very high90.1Very high8 Ų866.1 Ų66.18%0.08237%0.365CS..EExtended strand (participates in β ladder)trans-128.6142.1-173.700000111V42 L75 I76 R79V42-G81 CarbonylContact O-C 3.48Å; V42-G81 VanDerWaalsContact O-CA 3.25Å; V42-G81 WeakPolarHBondContact O-CA 3.46Å; L75-G81 WeakPolarHBondContact CA-O 3.45Å; I76-G81 PolarHBondContact N-O 3.39Å; R79-G81 PolarHBondContact O-N 2.92Å
82F95Very high90Very high1 Ų168.2 Ų68.20%0.00438%0.376CS..EExtended strand (participates in β ladder)trans-108.2130174.5172.1-101.2000109.7F35 P41 V42 L44 V62 I66 L71 L75 P84F35-F82 HydrophobicContact CB-CE1 4.46Å; F35-F82 HydrophobicContact CD1-CB 4.15Å; F35-F82 AromaticContact CD1-CD1 3.48Å; F35-F82 HydrophobicContact CD1-CD1 3.48Å; F35-F82 VanDerWaalsContact CD1-CD1 3.48Å; F35-F82 HydrophobicContact CD1-CD2 4.44Å; F35-F82 AromaticContact CD1-CE1 3.88Å; F35-F82 HydrophobicContact CD1-CE1 3.88Å; F35-F82 AromaticContact CD1-CG 3.77Å; F35-F82 HydrophobicContact CD1-CG 3.77Å; F35-F82 HydrophobicContact CE1-CB 3.8Å; F35-F82 AromaticContact CE1-CD1 3.98Å; F35-F82 HydrophobicContact CE1-CD1 3.98Å; F35-F82 AromaticContact CE1-CG 3.96Å; F35-F82 HydrophobicContact CE1-CG 3.96Å; P41-F82 WeakPolarHBondContact CA-O 2.93Å; V42-F82 HydrophobicContact CG2-CB 4.13Å; V42-F82 HydrophobicContact CG2-CD1 4.2Å; V42-F82 PolarHBondContact N-O 3.32Å; V42-F82 PolarHBondContact O-N 2.87Å; L44-F82 HydrophobicContact CD2-CB 4.08Å; V62-F82 HydrophobicContact CG1-CD2 4.17Å; I66-F82 HydrophobicContact CD1-CD2 4.16Å; I66-F82 HydrophobicContact CD1-CE2 4.04Å; I66-F82 HydrophobicContact CG1-CE2 4.44Å; L71-F82 HydrophobicContact CD1-CZ 3.98Å; L71-F82 HydrophobicContact CD2-CD2 4.44Å; L71-F82 HydrophobicContact CD2-CE2 3.72Å; L71-F82 HydrophobicContact CD2-CZ 3.91Å; L71-F82 HydrophobicContact CG-CE2 3.95Å; L71-F82 HydrophobicContact CG-CZ 3.85Å; L75-F82 HydrophobicContact CD2-CB 4.09Å; L75-F82 HydrophobicContact CD2-CD2 4.27Å; F82-P84 HydrophobicContact CD1-CG 4.14Å; F82-P84 HydrophobicContact CE1-CB 4.07Å; F82-P84 HydrophobicContact CE1-CG 3.75Å
83V94.6Very high90Very high23 Ų2363.3 Ų63.314%0.13936%0.363CS..EExtended strand (participates in β ladder)trans-110.6113.8173.6-177.30000108.6P41 G73 N74 I76 Y87 T88P41-V83 HydrophobicContact CB-CG2 4.26Å; P41-V83 HydrophobicContact CG-CG1 4.37Å; P41-V83 HydrophobicContact CG-CG2 4.31Å; G73-V83 CarbonylContact C-O 3.59Å; G73-V83 WeakPolarHBondContact CA-O 3.09Å; N74-V83 PolarHBondContact N-O 3.01Å; N74-V83 PolarHBondContact O-N 3.42Å; I76-V83 HydrophobicContact CD1-CG2 3.58Å; I76-V83 HydrophobicContact CG1-CG2 3.75Å; V83-Y87 HydrophobicContact CG1-CD1 4.01Å; V83-T88 HydrophobicContact CG1-CG2 3.64Å
84P96.3Very high89.9Confident3 Ų368 Ų682%0.01938%0.379CS..EExtended strand (participates in β ladder)trans-62.8142.4176-18.429.4000111.8V38 F82 C86 Y87 T88V38-P84 HydrophobicContact CB-CG 4.23Å; V38-P84 HydrophobicContact CG1-CG 3.67Å; V38-P84 WeakPolarHBondContact O-CB 3.28Å; V38-P84 WeakPolarHBondContact O-CG 3.35Å; F82-P84 HydrophobicContact CD1-CG 4.14Å; F82-P84 HydrophobicContact CE1-CB 4.07Å; F82-P84 HydrophobicContact CE1-CG 3.75Å; P84-C86 VanDerWaalsContact C-N 3.26Å; P84-C86 PolarHBondContact O-N 3.04Å; P84-Y87 WeakPolarHBondContact O-CB 3.34Å; P84-Y87 PolarHBondContact O-N 3.03Å; P84-Y87 VanDerWaalsContact O-N 3.11Å; P84-T88 PolarHBondContact O-N 3.38Å
85K95.7Very high89.9Confident123 Ų12363 Ų6354%0.53535%0.352SS..Hα-helixtrans-62.7-33177.3-175.4175.5-179.5179.10112.9Y72 Y87 T88 Y89Y72-K85 HydrophobicContact CD1-CD 4.36Å; Y72-K85 PolarHBondContact O-N 2.85Å; K85-Y87 PolarHBondContact O-N 3.5Å; K85-T88 PolarHBondContact O-OG1 3.42Å; K85-T88 VanDerWaalsContact O-OG1 3.04Å; K85-Y89 WeakPolarHBondContact O-CB 3.19Å; K85-Y89 PolarHBondContact O-N 3.11Å
86C95.8Very high90.1Very high70 Ų7063.9 Ų63.947%0.47336%0.357SS..Hα-helixtrans-64.8-30.1177.157.80000112.6P84 A90P84-C86 VanDerWaalsContact C-N 3.26Å; P84-C86 PolarHBondContact O-N 3.04Å; C86-A90 WeakPolarHBondContact O-CB 3.17Å; C86-A90 PolarHBondContact O-N 3.34Å
87Y94Very high90.6Very high45 Ų4563 Ų6318%0.17636%0.357CS..Hα-helixtrans-68.5-52.2177.8179.2-93.5000110.7I39 R40 P41 V83 P84 K85 Y89 A90 E91I39-Y87 WeakPolarHBondContact O-CD2 3.39Å; R40-Y87 HydrophobicContact CB-CD2 4.48Å; R40-Y87 HydrophobicContact CG-CD2 4.22Å; R40-Y87 HydrophobicContact CG-CE2 4.28Å; P41-Y87 HydrophobicContact CG-CD1 3.92Å; P41-Y87 HydrophobicContact CG-CE1 3.7Å; P41-Y87 HydrophobicContact CG-CE2 4.43Å; P41-Y87 HydrophobicContact CG-CG 4.38Å; V83-Y87 HydrophobicContact CG1-CD1 4.01Å; P84-Y87 WeakPolarHBondContact O-CB 3.34Å; P84-Y87 PolarHBondContact O-N 3.03Å; P84-Y87 VanDerWaalsContact O-N 3.11Å; K85-Y87 PolarHBondContact O-N 3.5Å; Y87-Y89 VanDerWaalsContact C-N 3.32Å; Y87-Y89 PolarHBondContact O-N 3.07Å; Y87-A90 WeakPolarHBondContact O-CB 3.33Å; Y87-A90 PolarHBondContact O-N 2.64Å; Y87-A90 VanDerWaalsContact O-N 3.14Å; Y87-E91 HydrophobicContact CD1-CG 4.49Å; Y87-E91 HydrophobicContact CE1-CG 4.1Å; Y87-E91 WeakPolarHBondContact CE1-OE1 3.39Å; Y87-E91 WeakPolarHBondContact CE1-OE2 3.17Å; Y87-E91 PolarHBondContact O-N 3.48Å; Y87-E91 PolarHBondContact OH-OE1 3.26Å
88T92.3Very high91.5Very high44 Ų4460.1 Ų60.127%0.2733%0.326SS..Hα-helixtrans-61.9-41.9177.858.20000111.4V83 P84 K85 A90 E91 D92V83-T88 HydrophobicContact CG1-CG2 3.64Å; P84-T88 PolarHBondContact O-N 3.38Å; K85-T88 PolarHBondContact O-OG1 3.42Å; K85-T88 VanDerWaalsContact O-OG1 3.04Å; T88-A90 VanDerWaalsContact C-N 3.29Å; T88-A90 PolarHBondContact O-N 3.17Å; T88-E91 WeakPolarHBondContact O-CB 2.94Å; T88-E91 PolarHBondContact O-N 3.12Å; T88-E91 VanDerWaalsContact O-N 3.15Å; T88-D92 PolarHBondContact O-N 3.32Å
89Y94.5Very high92.5Very high159 Ų15956.6 Ų56.662%0.62428%0.284SS*.Hα-helixtrans-59-40.3175.7177.9-94.6000112.6K85 Y87 T93K85-Y89 WeakPolarHBondContact O-CB 3.19Å; K85-Y89 PolarHBondContact O-N 3.11Å; Y87-Y89 VanDerWaalsContact C-N 3.32Å; Y87-Y89 PolarHBondContact O-N 3.07Å; Y89-T93 VanDerWaalsContact O-CB 3.3Å; Y89-T93 WeakPolarHBondContact O-CB 3.49Å; Y89-T93 PolarHBondContact O-N 3.4Å; Y89-T93 PolarHBondContact O-OG1 3.07Å
90A94.3Very high93.8Very high56 Ų5651.5 Ų51.546%0.46328%0.278SS..Hα-helixtrans-67.5-3917700000111.8C86 Y87 T88 Y94C86-A90 WeakPolarHBondContact O-CB 3.17Å; C86-A90 PolarHBondContact O-N 3.34Å; Y87-A90 WeakPolarHBondContact O-CB 3.33Å; Y87-A90 PolarHBondContact O-N 2.64Å; Y87-A90 VanDerWaalsContact O-N 3.14Å; T88-A90 VanDerWaalsContact C-N 3.29Å; T88-A90 PolarHBondContact O-N 3.17Å; A90-Y94 WeakPolarHBondContact O-CB 3.4Å; A90-Y94 PolarHBondContact O-N 3.02Å
91E93.1Very high94.3Very high23 Ų2356.9 Ų56.911%0.10730%0.298CS..Hα-helixtrans-62.1-49.8173.7-69.4178.8142.600111.6Y87 T88 T93 Y94 I95Y87-E91 HydrophobicContact CD1-CG 4.49Å; Y87-E91 HydrophobicContact CE1-CG 4.1Å; Y87-E91 WeakPolarHBondContact CE1-OE1 3.39Å; Y87-E91 WeakPolarHBondContact CE1-OE2 3.17Å; Y87-E91 PolarHBondContact O-N 3.48Å; Y87-E91 PolarHBondContact OH-OE1 3.26Å; T88-E91 WeakPolarHBondContact O-CB 2.94Å; T88-E91 PolarHBondContact O-N 3.12Å; T88-E91 VanDerWaalsContact O-N 3.15Å; E91-T93 VanDerWaalsContact C-N 3.35Å; E91-T93 PolarHBondContact O-N 3.09Å; E91-Y94 WeakPolarHBondContact O-CB 3.4Å; E91-Y94 PolarHBondContact O-N 3.33Å; E91-I95 VanDerWaalsContact O-CG1 3.3Å; E91-I95 WeakPolarHBondContact O-CG1 3.3Å; E91-I95 PolarHBondContact O-N 2.97Å
92D93.3Very high94.2Very high51 Ų5159.9 Ų59.927%0.27331%0.312SS..Hα-helixtrans-58.9-47.7178.8-60.2-26.2000110.9T88 Y94 I95 N96 Y121T88-D92 PolarHBondContact O-N 3.32Å; D92-Y94 VanDerWaalsContact C-N 3.31Å; D92-Y94 PolarHBondContact O-N 3.14Å; D92-I95 PolarHBondContact O-N 3.41Å; D92-N96 VanDerWaalsContact O-CB 3.26Å; D92-N96 WeakPolarHBondContact O-CB 3.46Å; D92-N96 PolarHBondContact O-N 2.57Å; D92-Y121 WeakPolarHBondContact CA-OH 3.41Å; D92-Y121 WeakPolarHBondContact OD1-CE2 3.3Å; D92-Y121 PolarHBondContact OD1-OH 3.15Å
93T95.3Very high94.1Very high59 Ų5960.2 Ų60.236%0.36232%0.316SS..Hα-helixtrans-61-42177.8-57.60000111.4Y89 E91 S97Y89-T93 VanDerWaalsContact O-CB 3.3Å; Y89-T93 WeakPolarHBondContact O-CB 3.49Å; Y89-T93 PolarHBondContact O-N 3.4Å; Y89-T93 PolarHBondContact O-OG1 3.07Å; E91-T93 VanDerWaalsContact C-N 3.35Å; E91-T93 PolarHBondContact O-N 3.09Å; T93-S97 WeakPolarHBondContact O-CB 3.33Å; T93-S97 PolarHBondContact O-N 3.49Å; T93-S97 PolarHBondContact O-OG 3.09Å
94Y93.6Very high94Very high106 Ų10660.4 Ų60.442%0.41632%0.315SS..Hα-helixtrans-64.5-48.6178.5179.4-87.9000111.3A90 E91 D92 N96 S97 F98 Y109A90-Y94 WeakPolarHBondContact O-CB 3.4Å; A90-Y94 PolarHBondContact O-N 3.02Å; E91-Y94 WeakPolarHBondContact O-CB 3.4Å; E91-Y94 PolarHBondContact O-N 3.33Å; D92-Y94 VanDerWaalsContact C-N 3.31Å; D92-Y94 PolarHBondContact O-N 3.14Å; Y94-N96 VanDerWaalsContact C-N 3.35Å; Y94-N96 PolarHBondContact O-N 3.03Å; Y94-S97 PolarHBondContact O-N 2.73Å; Y94-F98 HydrophobicContact CE1-CB 4.47Å; Y94-F98 WeakPolarHBondContact O-CB 3.43Å; Y94-F98 PolarHBondContact O-N 3.36Å; Y94-Y109 HydrophobicContact CD1-CE1 4.14Å; Y94-Y109 AromaticContact CE1-CE1 3.43Å; Y94-Y109 HydrophobicContact CE1-CE1 3.43Å; Y94-Y109 VanDerWaalsContact CE1-CE1 3.43Å; Y94-Y109 AromaticContact CE1-CZ 3.58Å; Y94-Y109 WeakPolarHBondContact CE1-OH 3.49Å; Y94-Y109 PolarHBondContact OH-OH 3.29Å
95I95.3Very high93.9Very high3 Ų360.4 Ų60.42%0.01531%0.314CS..Hα-helixtrans-64-42.6-179.1-67.1163.3000110.4E91 D92 S97 F98 Y99 V105 L110 L113 I115 Y121 L122 F126E91-I95 VanDerWaalsContact O-CG1 3.3Å; E91-I95 WeakPolarHBondContact O-CG1 3.3Å; E91-I95 PolarHBondContact O-N 2.97Å; D92-I95 PolarHBondContact O-N 3.41Å; I95-S97 PolarHBondContact O-N 2.9Å; I95-F98 PolarHBondContact O-N 2.85Å; I95-Y99 WeakPolarHBondContact O-CB 3.48Å; I95-Y99 PolarHBondContact O-N 3.26Å; I95-V105 HydrophobicContact CG2-CG1 4.49Å; I95-V105 HydrophobicContact CG2-CG2 4.34Å; I95-L110 HydrophobicContact CD1-CD1 4.35Å; I95-L110 HydrophobicContact CD1-CD2 4.42Å; I95-L110 HydrophobicContact CD1-CG 4.06Å; I95-L113 HydrophobicContact CD1-CD1 4.02Å; I95-L113 HydrophobicContact CG1-CD1 4.12Å; I95-I115 HydrophobicContact CD1-CD1 3.58Å; I95-Y121 HydrophobicContact CD1-CE1 3.67Å; I95-Y121 WeakPolarHBondContact CD1-OH 3.07Å; I95-Y121 HydrophobicContact CG2-CE1 4.24Å; I95-L122 HydrophobicContact CG2-CD2 4.11Å; I95-F126 HydrophobicContact CG2-CE2 3.91Å; I95-F126 HydrophobicContact CG2-CZ 4.08Å
96N95.5Very high93.7Very high75 Ų7556.2 Ų56.240%0.40130%0.297SS..Hα-helixtrans-61.4-43.7175.7-167.1-78.5000112.1D92 Y94 Y99 S100D92-N96 VanDerWaalsContact O-CB 3.26Å; D92-N96 WeakPolarHBondContact O-CB 3.46Å; D92-N96 PolarHBondContact O-N 2.57Å; Y94-N96 VanDerWaalsContact C-N 3.35Å; Y94-N96 PolarHBondContact O-N 3.03Å; N96-Y99 PolarHBondContact O-N 3.03Å; N96-S100 VanDerWaalsContact O-CB 3.32Å; N96-S100 WeakPolarHBondContact O-CB 3.49Å; N96-S100 PolarHBondContact O-N 2.96Å; N96-S100 PolarHBondContact O-OG 3.32Å
97S96.4Very high93.5Very high49 Ų4954.9 Ų54.934%0.34328%0.282SS..Hα-helixtrans-64.8-43.8176.8-59.50000111.6T93 Y94 I95 S100 Q101T93-S97 WeakPolarHBondContact O-CB 3.33Å; T93-S97 PolarHBondContact O-N 3.49Å; T93-S97 PolarHBondContact O-OG 3.09Å; Y94-S97 PolarHBondContact O-N 2.73Å; I95-S97 PolarHBondContact O-N 2.9Å; S97-S100 PolarHBondContact O-N 3.01Å; S97-Q101 WeakPolarHBondContact O-CB 3.46Å; S97-Q101 VanDerWaalsContact O-CG 3.26Å; S97-Q101 WeakPolarHBondContact O-CG 3.44Å; S97-Q101 PolarHBondContact O-N 3.33Å
98F93.6Very high93.3Very high40 Ų4056.6 Ų56.618%0.17529%0.294CS..Hα-helixtrans-61.7-47.6177.7-175.8-84.6000111.4Y94 I95 S100 Q101 N102 Y104 V105Y94-F98 HydrophobicContact CE1-CB 4.47Å; Y94-F98 WeakPolarHBondContact O-CB 3.43Å; Y94-F98 PolarHBondContact O-N 3.36Å; I95-F98 PolarHBondContact O-N 2.85Å; F98-S100 VanDerWaalsContact C-N 3.34Å; F98-S100 PolarHBondContact O-N 3.32Å; F98-Q101 PolarHBondContact O-N 3.19Å; F98-N102 WeakPolarHBondContact CD2-ND2 3.15Å; F98-N102 HydrophobicContact CE1-CB 4.24Å; F98-N102 WeakPolarHBondContact CE2-ND2 3.45Å; F98-N102 HydrophobicContact CZ-CB 4.45Å; F98-N102 WeakPolarHBondContact O-CB 3.42Å; F98-N102 PolarHBondContact O-N 3.45Å; F98-N102 PolarHBondContact O-ND2 3.14Å; F98-Y104 VanDerWaalsContact CD1-O 3.26Å; F98-Y104 WeakPolarHBondContact CD1-O 3.42Å; F98-Y104 WeakPolarHBondContact CE1-O 3.3Å; F98-V105 HydrophobicContact CD1-CG2 4.12Å
99Y94.6Very high93.1Very high18 Ų1857.3 Ų57.37%0.07129%0.292CS..Hα-helixtrans-62.3-42.1177.5178-107.9000111.8I95 N96 Q101 G103 V105 F126 A129 N138I95-Y99 WeakPolarHBondContact O-CB 3.48Å; I95-Y99 PolarHBondContact O-N 3.26Å; N96-Y99 PolarHBondContact O-N 3.03Å; Y99-Q101 VanDerWaalsContact C-N 3.33Å; Y99-Q101 PolarHBondContact O-N 3.37Å; Y99-G103 WeakPolarHBondContact O-CA 3.29Å; Y99-G103 PolarHBondContact O-N 3.22Å; Y99-V105 HydrophobicContact CD2-CG2 3.94Å; Y99-V105 HydrophobicContact CG-CG2 4.24Å; Y99-F126 AromaticContact CD1-CD1 3.65Å; Y99-F126 HydrophobicContact CD1-CD1 3.65Å; Y99-F126 HydrophobicContact CD1-CD2 4.4Å; Y99-F126 AromaticContact CD1-CE1 3.52Å; Y99-F126 HydrophobicContact CD1-CE1 3.52Å; Y99-F126 HydrophobicContact CD1-CE2 4.29Å; Y99-F126 HydrophobicContact CD1-CG 4.11Å; Y99-F126 AromaticContact CD1-CZ 3.87Å; Y99-F126 HydrophobicContact CD1-CZ 3.87Å; Y99-F126 HydrophobicContact CD2-CD2 4.43Å; Y99-F126 HydrophobicContact CD2-CE2 4.4Å; Y99-F126 AromaticContact CE1-CD1 3.81Å; Y99-F126 HydrophobicContact CE1-CD1 3.81Å; Y99-F126 HydrophobicContact CE1-CE1 4.17Å; Y99-F126 HydrophobicContact CE1-CG 4.1Å; Y99-F126 HydrophobicContact CG-CD1 4.27Å; Y99-F126 HydrophobicContact CG-CD2 4.25Å; Y99-F126 AromaticContact CG-CE1 3.97Å; Y99-F126 HydrophobicContact CG-CE1 3.97Å; Y99-F126 AromaticContact CG-CE2 3.94Å; Y99-F126 HydrophobicContact CG-CE2 3.94Å; Y99-F126 HydrophobicContact CG-CG 4.41Å; Y99-F126 AromaticContact CG-CZ 3.8Å; Y99-F126 HydrophobicContact CG-CZ 3.8Å; Y99-A129 HydrophobicContact CE2-CB 4.44Å; Y99-A129 WeakPolarHBondContact OH-CB 3.26Å; Y99-N138 HydrophobicContact CE2-CB 3.99Å; Y99-N138 WeakPolarHBondContact OH-CA 3.17Å; Y99-N138 WeakPolarHBondContact OH-CB 3.17Å
100S93.1Very high93Very high83 Ų8349.7 Ų49.758%0.5826%0.262SS*.Hα-helixtrans-66.2-35.5179.7-60.50000112.6N96 S97 F98N96-S100 VanDerWaalsContact O-CB 3.32Å; N96-S100 WeakPolarHBondContact O-CB 3.49Å; N96-S100 PolarHBondContact O-N 2.96Å; N96-S100 PolarHBondContact O-OG 3.32Å; S97-S100 PolarHBondContact O-N 3.01Å; F98-S100 VanDerWaalsContact C-N 3.34Å; F98-S100 PolarHBondContact O-N 3.32Å
101Q92Very high92.8Very high156 Ų15652.5 Ų52.573%0.72926%0.264SS*.Hα-helixtrans-80-41.8-179.7-71.7172.715.100112.9S97 F98 Y99S97-Q101 WeakPolarHBondContact O-CB 3.46Å; S97-Q101 VanDerWaalsContact O-CG 3.26Å; S97-Q101 WeakPolarHBondContact O-CG 3.44Å; S97-Q101 PolarHBondContact O-N 3.33Å; F98-Q101 PolarHBondContact O-N 3.19Å; Y99-Q101 VanDerWaalsContact C-N 3.33Å; Y99-Q101 PolarHBondContact O-N 3.37Å
102N91.2Very high92.6Very high70 Ų7058.9 Ų58.937%0.37429%0.287SS..Hα-helixtrans-101.9-18.7-171.3-60.3-72.1000113.3F98 Y104F98-N102 WeakPolarHBondContact CD2-ND2 3.15Å; F98-N102 HydrophobicContact CE1-CB 4.24Å; F98-N102 WeakPolarHBondContact CE2-ND2 3.45Å; F98-N102 HydrophobicContact CZ-CB 4.45Å; F98-N102 WeakPolarHBondContact O-CB 3.42Å; F98-N102 PolarHBondContact O-N 3.45Å; F98-N102 PolarHBondContact O-ND2 3.14Å; N102-Y104 HydrophobicContact CB-CD1 3.78Å; N102-Y104 HydrophobicContact CB-CE1 3.65Å; N102-Y104 WeakPolarHBondContact O-CD1 3.49Å; N102-Y104 PolarHBondContact O-N 3.48Å
103G92Very high92.3Very high9 Ų958.1 Ų58.19%0.09328%0.283CS..SBendtrans747.3-176.100000114.5Y99 N138 I141Y99-G103 WeakPolarHBondContact O-CA 3.29Å; Y99-G103 PolarHBondContact O-N 3.22Å; G103-N138 WeakPolarHBondContact O-CB 3.3Å; G103-N138 PolarHBondContact O-N 2.95Å; G103-I141 VanDerWaalsContact O-CD1 3.3Å; G103-I141 WeakPolarHBondContact O-CD1 3.24Å
104Y93Very high91.8Very high27 Ų2761.3 Ų61.311%0.10630%0.298CS..EExtended strand (participates in β ladder)trans-147.9164.7175.976-76.4000111.9F98 N102 E106 L135 T136 P166 L169F98-Y104 VanDerWaalsContact CD1-O 3.26Å; F98-Y104 WeakPolarHBondContact CD1-O 3.42Å; F98-Y104 WeakPolarHBondContact CE1-O 3.3Å; N102-Y104 HydrophobicContact CB-CD1 3.78Å; N102-Y104 HydrophobicContact CB-CE1 3.65Å; N102-Y104 WeakPolarHBondContact O-CD1 3.49Å; N102-Y104 PolarHBondContact O-N 3.48Å; Y104-E106 HydrophobicContact CD2-CG 4.29Å; Y104-E106 HydrophobicContact CE2-CG 3.94Å; Y104-L135 HydrophobicContact CD2-CD1 3.74Å; Y104-L135 HydrophobicContact CG-CD1 4.38Å; Y104-T136 CarbonylContact C-O 3.5Å; Y104-T136 WeakPolarHBondContact CA-O 3.35Å; Y104-T136 WeakPolarHBondContact CB-O 3.48Å; Y104-P166 HydrophobicContact CD1-CB 3.46Å; Y104-P166 VanDerWaalsContact CD1-CB 3.46Å; Y104-P166 HydrophobicContact CD1-CG 3.61Å; Y104-P166 HydrophobicContact CD2-CB 4.2Å; Y104-P166 HydrophobicContact CE1-CB 3.34Å; Y104-P166 HydrophobicContact CE1-CG 4.03Å; Y104-P166 HydrophobicContact CE2-CB 4.06Å; Y104-P166 HydrophobicContact CG-CB 3.92Å; Y104-P166 HydrophobicContact CG-CG 3.94Å; Y104-L169 HydrophobicContact CD2-CD2 4.1Å; Y104-L169 HydrophobicContact CE2-CD2 4.28Å
105V93.7Very high91.6Very high2 Ų257.1 Ų57.11%0.01228%0.282CS..EExtended strand (participates in β ladder)trans-144.4124.9172.3179.60000110.3I95 F98 Y99 L110 L122 F126 T136I95-V105 HydrophobicContact CG2-CG1 4.49Å; I95-V105 HydrophobicContact CG2-CG2 4.34Å; F98-V105 HydrophobicContact CD1-CG2 4.12Å; Y99-V105 HydrophobicContact CD2-CG2 3.94Å; Y99-V105 HydrophobicContact CG-CG2 4.24Å; V105-L110 HydrophobicContact CG1-CD1 3.26Å; V105-L122 HydrophobicContact CB-CD1 4.41Å; V105-L122 HydrophobicContact CB-CD2 4.3Å; V105-L122 HydrophobicContact CG1-CD1 4.06Å; V105-L122 HydrophobicContact CG1-CD2 4Å; V105-F126 HydrophobicContact CG2-CE2 4.25Å; V105-T136 PolarHBondContact N-O 2.92Å; V105-T136 PolarHBondContact O-N 2.85Å
106E91.9Very high91.1Very high35 Ų3563 Ų6316%0.16432%0.321CS..EExtended strand (participates in β ladder)trans-79.2133.4173.5-59.8163173.500111Y104 N108 Y109 G168Y104-E106 HydrophobicContact CD2-CG 4.29Å; Y104-E106 HydrophobicContact CE2-CG 3.94Å; E106-N108 VanDerWaalsContact C-N 3.27Å; E106-N108 PolarHBondContact O-N 3.4Å; E106-Y109 VanDerWaalsContact O-CB 3.24Å; E106-Y109 WeakPolarHBondContact O-CB 3.39Å; E106-Y109 PolarHBondContact O-N 3.43Å; E106-Y109 VanDerWaalsContact O-N 3.1Å; E106-G168 VanDerWaalsContact OE1-CA 3.31Å; E106-G168 WeakPolarHBondContact OE1-CA 3.21Å
107W92.2Very high90.9Very high42 Ų4263.6 Ų63.616%0.15932%0.324CS..Hα-helixtrans-69.7-29.2179.6-6715.3000112Y109 L110 K111 P118 S119 L122 L132 G134 T136W107-Y109 PolarHBondContact O-N 3.34Å; W107-L110 PolarHBondContact O-N 2.87Å; W107-K111 PolarHBondContact O-N 3.18Å; W107-K111 VanDerWaalsContact O-N 3.14Å; W107-P118 HydrophobicContact CB-CB 3.74Å; W107-P118 HydrophobicContact CB-CG 4.19Å; W107-P118 HydrophobicContact CD2-CB 4.24Å; W107-P118 HydrophobicContact CG-CB 3.87Å; W107-P118 WeakPolarHBondContact O-CG 3.38Å; W107-S119 VanDerWaalsContact CH2-CB 3.46Å; W107-S119 WeakPolarHBondContact CH2-OG 3.32Å; W107-L122 VanDerWaalsContact CD1-CD1 3.41Å; W107-L122 HydrophobicContact CG-CD1 4.35Å; W107-L132 VanDerWaalsContact CZ2-O 3.29Å; W107-L132 WeakPolarHBondContact CZ2-O 3.26Å; W107-G134 WeakPolarHBondContact CB-O 3.37Å; W107-G134 VanDerWaalsContact CG-C 3.47Å; W107-G134 PolarHBondContact N-O 2.77Å; W107-T136 PolarHBondContact NE1-OG1 2.92Å; W107-T136 VanDerWaalsContact NE1-OG1 3.11Å
108N88.5Confident90.8Very high81 Ų8161.5 Ų61.543%0.43331%0.309SS..Hα-helixtrans-64.6-28.7174.1-72.7-28.5000112E106 R112E106-N108 VanDerWaalsContact C-N 3.27Å; E106-N108 PolarHBondContact O-N 3.4Å; N108-R112 PolarHBondContact O-N 2.8Å
109Y88.2Confident90.8Very high59 Ų5960.7 Ų60.723%0.23131%0.308CS..Hα-helixtrans-64.4-44.1173.3-166.8-86.4000111.3Y94 E106 W107 K111 R112 L113Y94-Y109 HydrophobicContact CD1-CE1 4.14Å; Y94-Y109 AromaticContact CE1-CE1 3.43Å; Y94-Y109 HydrophobicContact CE1-CE1 3.43Å; Y94-Y109 VanDerWaalsContact CE1-CE1 3.43Å; Y94-Y109 AromaticContact CE1-CZ 3.58Å; Y94-Y109 WeakPolarHBondContact CE1-OH 3.49Å; Y94-Y109 PolarHBondContact OH-OH 3.29Å; E106-Y109 VanDerWaalsContact O-CB 3.24Å; E106-Y109 WeakPolarHBondContact O-CB 3.39Å; E106-Y109 PolarHBondContact O-N 3.43Å; E106-Y109 VanDerWaalsContact O-N 3.1Å; W107-Y109 PolarHBondContact O-N 3.34Å; Y109-K111 PolarHBondContact O-N 3.41Å; Y109-R112 WeakPolarHBondContact O-CB 3.47Å; Y109-R112 PolarHBondContact O-N 2.89Å; Y109-L113 HydrophobicContact CD1-CD1 4.11Å; Y109-L113 HydrophobicContact CD1-CG 4.47Å; Y109-L113 HydrophobicContact CE1-CD1 3.79Å; Y109-L113 HydrophobicContact CE1-CG 4.19Å; Y109-L113 PolarHBondContact O-N 2.8Å
110L92.2Very high90.9Very high0 Ų062.9 Ų62.90%033%0.326CS..Hα-helixtrans-66.2-37.4178.2-87.971000113.1I95 V105 W107 R112 L113 N114 I115 P118 Y121 L122I95-L110 HydrophobicContact CD1-CD1 4.35Å; I95-L110 HydrophobicContact CD1-CD2 4.42Å; I95-L110 HydrophobicContact CD1-CG 4.06Å; V105-L110 HydrophobicContact CG1-CD1 3.26Å; W107-L110 PolarHBondContact O-N 2.87Å; L110-R112 PolarHBondContact O-N 2.85Å; L110-L113 CarbonylContact O-C 3.56Å; L110-L113 WeakPolarHBondContact O-CA 3.41Å; L110-L113 WeakPolarHBondContact O-CB 3.26Å; L110-L113 PolarHBondContact O-N 3.36Å; L110-N114 PolarHBondContact O-N 3.1Å; L110-I115 HydrophobicContact CB-CB 4.15Å; L110-I115 HydrophobicContact CB-CD1 4.28Å; L110-I115 HydrophobicContact CD2-CD1 4.09Å; L110-I115 HydrophobicContact CD2-CG2 4.34Å; L110-I115 HydrophobicContact CG-CD1 3.91Å; L110-I115 WeakPolarHBondContact O-CB 3.38Å; L110-I115 PolarHBondContact O-N 3.1Å; L110-P118 HydrophobicContact CB-CB 3.9Å; L110-P118 HydrophobicContact CB-CG 3.9Å; L110-P118 HydrophobicContact CD2-CB 3.96Å; L110-Y121 HydrophobicContact CD2-CD1 3.41Å; L110-Y121 VanDerWaalsContact CD2-CD1 3.41Å; L110-Y121 HydrophobicContact CD2-CE1 3.87Å; L110-Y121 HydrophobicContact CD2-CG 4.3Å; L110-L122 HydrophobicContact CD1-CD1 4.42Å; L110-L122 HydrophobicContact CD1-CD2 4.46Å; L110-L122 HydrophobicContact CD2-CD1 3.84Å; L110-L122 HydrophobicContact CD2-CD2 3.78Å; L110-L122 HydrophobicContact CD2-CG 3.59Å
111K90.4Very high91Very high115 Ų11560.9 Ų60.950%0.531%0.306SS..Hα-helixtrans-59.6-36.7174.6-68.7176.3-174.1167.90111.8W107 Y109 L113 N114 P118W107-K111 PolarHBondContact O-N 3.18Å; W107-K111 VanDerWaalsContact O-N 3.14Å; Y109-K111 PolarHBondContact O-N 3.41Å; K111-L113 VanDerWaalsContact C-N 3.27Å; K111-L113 PolarHBondContact O-N 3.06Å; K111-N114 PolarHBondContact O-N 2.89Å; K111-N114 VanDerWaalsContact O-N 3.07Å; K111-P118 HydrophobicContact CG-CG 3.8Å
112R88.6Confident91.2Very high157 Ų15753.5 Ų53.559%0.59227%0.272SS*.Hα-helixtrans-68.7-25.3175.4-67.1-173.9-65.6-100.76.5112.9N108 Y109 L110 N114N108-R112 PolarHBondContact O-N 2.8Å; Y109-R112 WeakPolarHBondContact O-CB 3.47Å; Y109-R112 PolarHBondContact O-N 2.89Å; L110-R112 PolarHBondContact O-N 2.85Å; R112-N114 PolarHBondContact O-N 3.05Å
113L86.6Confident91.4Very high35 Ų3555.4 Ų55.418%0.18328%0.277CS..THydrogen-bonded Turntrans-82.410.4170.4-61.3-179.6000113I95 Y109 L110 K111 I115I95-L113 HydrophobicContact CD1-CD1 4.02Å; I95-L113 HydrophobicContact CG1-CD1 4.12Å; Y109-L113 HydrophobicContact CD1-CD1 4.11Å; Y109-L113 HydrophobicContact CD1-CG 4.47Å; Y109-L113 HydrophobicContact CE1-CD1 3.79Å; Y109-L113 HydrophobicContact CE1-CG 4.19Å; Y109-L113 PolarHBondContact O-N 2.8Å; L110-L113 CarbonylContact O-C 3.56Å; L110-L113 WeakPolarHBondContact O-CA 3.41Å; L110-L113 WeakPolarHBondContact O-CB 3.26Å; L110-L113 PolarHBondContact O-N 3.36Å; K111-L113 VanDerWaalsContact C-N 3.27Å; K111-L113 PolarHBondContact O-N 3.06Å; L113-I115 HydrophobicContact CB-CD1 4.44Å; L113-I115 PolarHBondContact O-N 2.91Å
114N84.9Confident91.5Very high126 Ų12659.7 Ų59.767%0.67430%0.301SS*.THydrogen-bonded Turntrans6324.3-176.4-52.8-70.5000114.7L110 K111 R112 P116L110-N114 PolarHBondContact O-N 3.1Å; K111-N114 PolarHBondContact O-N 2.89Å; K111-N114 VanDerWaalsContact O-N 3.07Å; R112-N114 PolarHBondContact O-N 3.05Å; N114-P116 VanDerWaalsContact O-CD 3.28Å; N114-P116 WeakPolarHBondContact O-CD 3.24Å
115I89.1Confident91.6Very high18 Ų1861.8 Ų61.89%0.09231%0.312CS..  trans-85108.7168.5-62.1167.1000107.6I95 L110 L113 Y121I95-I115 HydrophobicContact CD1-CD1 3.58Å; L110-I115 HydrophobicContact CB-CB 4.15Å; L110-I115 HydrophobicContact CB-CD1 4.28Å; L110-I115 HydrophobicContact CD2-CD1 4.09Å; L110-I115 HydrophobicContact CD2-CG2 4.34Å; L110-I115 HydrophobicContact CG-CD1 3.91Å; L110-I115 WeakPolarHBondContact O-CB 3.38Å; L110-I115 PolarHBondContact O-N 3.1Å; L113-I115 HydrophobicContact CB-CD1 4.44Å; L113-I115 PolarHBondContact O-N 2.91Å; I115-Y121 HydrophobicContact CD1-CD1 4.36Å; I115-Y121 HydrophobicContact CD1-CE1 4.17Å; I115-Y121 HydrophobicContact CD1-CE2 4.32Å; I115-Y121 HydrophobicContact CG2-CD2 4.33Å; I115-Y121 HydrophobicContact CG2-CG 4Å
116P85.5Confident91.7Very high126 Ų12662.3 Ų62.382%0.81831%0.314SS*.SBendtrans-73.9-32.4-168.729-35000113.2N114 P118N114-P116 VanDerWaalsContact O-CD 3.28Å; N114-P116 WeakPolarHBondContact O-CD 3.24Å; P116-P118 WeakPolarHBondContact O-CD 3.32Å
117D92.1Very high91.8Very high87 Ų8765.6 Ų65.647%0.46534%0.339SS..  trans-120.484175.9-174.6-1.6000110.7S119 S120 Y121D117-S119 PolarHBondContact O-N 2.77Å; D117-S119 WeakPolarHBondContact OD1-CB 3.4Å; D117-S119 PolarHBondContact OD1-N 3.11Å; D117-S119 VanDerWaalsContact OD1-N 3.09Å; D117-S120 PolarHBondContact OD1-N 3.49Å; D117-S120 VanDerWaalsContact OD1-N 3.12Å; D117-S120 WeakPolarHBondContact OD2-CB 3.42Å; D117-Y121 WeakPolarHBondContact O-CB 3.12Å; D117-Y121 PolarHBondContact O-N 3.35Å
118P94Very high91.9Very high6 Ų668.1 Ų68.14%0.03936%0.363CS..Hα-helixtrans-57.8-30.8175.6-26.134.8000113.5W107 L110 K111 P116 L122W107-P118 HydrophobicContact CB-CB 3.74Å; W107-P118 HydrophobicContact CB-CG 4.19Å; W107-P118 HydrophobicContact CD2-CB 4.24Å; W107-P118 HydrophobicContact CG-CB 3.87Å; W107-P118 WeakPolarHBondContact O-CG 3.38Å; L110-P118 HydrophobicContact CB-CB 3.9Å; L110-P118 HydrophobicContact CB-CG 3.9Å; L110-P118 HydrophobicContact CD2-CB 3.96Å; K111-P118 HydrophobicContact CG-CG 3.8Å; P116-P118 WeakPolarHBondContact O-CD 3.32Å; P118-L122 VanDerWaalsContact O-CB 3.3Å; P118-L122 WeakPolarHBondContact O-CB 3.4Å; P118-L122 VanDerWaalsContact O-CG 3.24Å; P118-L122 WeakPolarHBondContact O-CG 3.37Å; P118-L122 PolarHBondContact O-N 2.9Å
119S94Very high92.2Very high22 Ų2264.8 Ų64.815%0.15435%0.347CS..Hα-helixtrans-69.6-51.5-175.3-1660000110.7W107 D117 Y121 K123W107-S119 VanDerWaalsContact CH2-CB 3.46Å; W107-S119 WeakPolarHBondContact CH2-OG 3.32Å; D117-S119 PolarHBondContact O-N 2.77Å; D117-S119 WeakPolarHBondContact OD1-CB 3.4Å; D117-S119 PolarHBondContact OD1-N 3.11Å; D117-S119 VanDerWaalsContact OD1-N 3.09Å; S119-Y121 VanDerWaalsContact C-N 3.32Å; S119-Y121 PolarHBondContact O-N 2.85Å; S119-K123 WeakPolarHBondContact O-CB 3.37Å; S119-K123 VanDerWaalsContact O-CG 3.26Å; S119-K123 WeakPolarHBondContact O-CG 3.44Å; S119-K123 PolarHBondContact O-N 3.46Å
120S94.7Very high92.4Very high65 Ų6564.8 Ų64.846%0.45535%0.35SS..Hα-helixtrans-64.5-39.5177.9-174.10000111.6D117 T124D117-S120 PolarHBondContact OD1-N 3.49Å; D117-S120 VanDerWaalsContact OD1-N 3.12Å; D117-S120 WeakPolarHBondContact OD2-CB 3.42Å; S120-T124 PolarHBondContact O-N 2.84Å; S120-T124 PolarHBondContact O-OG1 3.49Å
121Y95.2Very high92.5Very high41 Ų4167.3 Ų67.316%0.16136%0.361CS..Hα-helixtrans-61.2-55.3177.3176.5-89.8000111.1D92 I95 L110 I115 D117 S119 K123 T124 E125D92-Y121 WeakPolarHBondContact CA-OH 3.41Å; D92-Y121 WeakPolarHBondContact OD1-CE2 3.3Å; D92-Y121 PolarHBondContact OD1-OH 3.15Å; I95-Y121 HydrophobicContact CD1-CE1 3.67Å; I95-Y121 WeakPolarHBondContact CD1-OH 3.07Å; I95-Y121 HydrophobicContact CG2-CE1 4.24Å; L110-Y121 HydrophobicContact CD2-CD1 3.41Å; L110-Y121 VanDerWaalsContact CD2-CD1 3.41Å; L110-Y121 HydrophobicContact CD2-CE1 3.87Å; L110-Y121 HydrophobicContact CD2-CG 4.3Å; I115-Y121 HydrophobicContact CD1-CD1 4.36Å; I115-Y121 HydrophobicContact CD1-CE1 4.17Å; I115-Y121 HydrophobicContact CD1-CE2 4.32Å; I115-Y121 HydrophobicContact CG2-CD2 4.33Å; I115-Y121 HydrophobicContact CG2-CG 4Å; D117-Y121 WeakPolarHBondContact O-CB 3.12Å; D117-Y121 PolarHBondContact O-N 3.35Å; S119-Y121 VanDerWaalsContact C-N 3.32Å; S119-Y121 PolarHBondContact O-N 2.85Å; Y121-K123 VanDerWaalsContact C-N 3.32Å; Y121-K123 PolarHBondContact O-N 3.27Å; Y121-T124 WeakPolarHBondContact O-CB 3.31Å; Y121-T124 PolarHBondContact O-N 2.92Å; Y121-E125 HydrophobicContact CD1-CG 4.12Å; Y121-E125 HydrophobicContact CD2-CG 4.45Å; Y121-E125 HydrophobicContact CE1-CG 3.68Å; Y121-E125 HydrophobicContact CE2-CG 4.04Å; Y121-E125 HydrophobicContact CG-CG 4.49Å; Y121-E125 PolarHBondContact O-N 3.48Å
122L96.3Very high92.5Very high0 Ų063.4 Ų63.40%035%0.346CS..Hα-helixtrans-67.6-29.3-176.2-68.1169.9000113.3I95 V105 W107 L110 P118 T124 F126 H131 T136I95-L122 HydrophobicContact CG2-CD2 4.11Å; V105-L122 HydrophobicContact CB-CD1 4.41Å; V105-L122 HydrophobicContact CB-CD2 4.3Å; V105-L122 HydrophobicContact CG1-CD1 4.06Å; V105-L122 HydrophobicContact CG1-CD2 4Å; W107-L122 VanDerWaalsContact CD1-CD1 3.41Å; W107-L122 HydrophobicContact CG-CD1 4.35Å; L110-L122 HydrophobicContact CD1-CD1 4.42Å; L110-L122 HydrophobicContact CD1-CD2 4.46Å; L110-L122 HydrophobicContact CD2-CD1 3.84Å; L110-L122 HydrophobicContact CD2-CD2 3.78Å; L110-L122 HydrophobicContact CD2-CG 3.59Å; P118-L122 VanDerWaalsContact O-CB 3.3Å; P118-L122 WeakPolarHBondContact O-CB 3.4Å; P118-L122 VanDerWaalsContact O-CG 3.24Å; P118-L122 WeakPolarHBondContact O-CG 3.37Å; P118-L122 PolarHBondContact O-N 2.9Å; L122-T124 VanDerWaalsContact C-N 3.27Å; L122-F126 HydrophobicContact CD2-CD2 3.73Å; L122-F126 HydrophobicContact CD2-CE2 3.6Å; L122-F126 WeakPolarHBondContact O-CA 3.35Å; L122-F126 WeakPolarHBondContact O-CB 3.42Å; L122-F126 PolarHBondContact O-N 2.99Å; L122-H131 PolarHBondContact O-CE1 3.17Å; L122-T136 WeakPolarHBondContact CD1-OG1 3.5Å
123K95.8Very high92.4Very high110 Ų11061 Ų6148%0.47835%0.351SS..Hα-helixtrans-67.5-29.6172.5-77.4171.6179.3172.90112.9S119 Y121 P127S119-K123 WeakPolarHBondContact O-CB 3.37Å; S119-K123 VanDerWaalsContact O-CG 3.26Å; S119-K123 WeakPolarHBondContact O-CG 3.44Å; S119-K123 PolarHBondContact O-N 3.46Å; Y121-K123 VanDerWaalsContact C-N 3.32Å; Y121-K123 PolarHBondContact O-N 3.27Å; K123-P127 WeakPolarHBondContact O-CA 3.41Å
124T95.2Very high92.5Very high99 Ų9960.2 Ų60.261%0.60735%0.351SS*.Hα-helixtrans-78.9-44.8176.4-530000110.3S120 Y121 L122S120-T124 PolarHBondContact O-N 2.84Å; S120-T124 PolarHBondContact O-OG1 3.49Å; Y121-T124 WeakPolarHBondContact O-CB 3.31Å; Y121-T124 PolarHBondContact O-N 2.92Å; L122-T124 VanDerWaalsContact C-N 3.27Å
125E93.7Very high92.8Very high72 Ų7254.2 Ų54.234%0.33632%0.318SS..Hα-helixtrans-72-38.2-179.7-67.5-55123.800113.1Y121Y121-E125 HydrophobicContact CD1-CG 4.12Å; Y121-E125 HydrophobicContact CD2-CG 4.45Å; Y121-E125 HydrophobicContact CE1-CG 3.68Å; Y121-E125 HydrophobicContact CE2-CG 4.04Å; Y121-E125 HydrophobicContact CG-CG 4.49Å; Y121-E125 PolarHBondContact O-N 3.48Å
126F95.8Very high93Very high12 Ų1253.3 Ų53.35%0.05331%0.314CS..  trans-129.367.9-175.2-49.5-55.9000111.8I95 Y99 V105 L122 S128 A129 H131I95-F126 HydrophobicContact CG2-CE2 3.91Å; I95-F126 HydrophobicContact CG2-CZ 4.08Å; Y99-F126 AromaticContact CD1-CD1 3.65Å; Y99-F126 HydrophobicContact CD1-CD1 3.65Å; Y99-F126 HydrophobicContact CD1-CD2 4.4Å; Y99-F126 AromaticContact CD1-CE1 3.52Å; Y99-F126 HydrophobicContact CD1-CE1 3.52Å; Y99-F126 HydrophobicContact CD1-CE2 4.29Å; Y99-F126 HydrophobicContact CD1-CG 4.11Å; Y99-F126 AromaticContact CD1-CZ 3.87Å; Y99-F126 HydrophobicContact CD1-CZ 3.87Å; Y99-F126 HydrophobicContact CD2-CD2 4.43Å; Y99-F126 HydrophobicContact CD2-CE2 4.4Å; Y99-F126 AromaticContact CE1-CD1 3.81Å; Y99-F126 HydrophobicContact CE1-CD1 3.81Å; Y99-F126 HydrophobicContact CE1-CE1 4.17Å; Y99-F126 HydrophobicContact CE1-CG 4.1Å; Y99-F126 HydrophobicContact CG-CD1 4.27Å; Y99-F126 HydrophobicContact CG-CD2 4.25Å; Y99-F126 AromaticContact CG-CE1 3.97Å; Y99-F126 HydrophobicContact CG-CE1 3.97Å; Y99-F126 AromaticContact CG-CE2 3.94Å; Y99-F126 HydrophobicContact CG-CE2 3.94Å; Y99-F126 HydrophobicContact CG-CG 4.41Å; Y99-F126 AromaticContact CG-CZ 3.8Å; Y99-F126 HydrophobicContact CG-CZ 3.8Å; V105-F126 HydrophobicContact CG2-CE2 4.25Å; L122-F126 HydrophobicContact CD2-CD2 3.73Å; L122-F126 HydrophobicContact CD2-CE2 3.6Å; L122-F126 WeakPolarHBondContact O-CA 3.35Å; L122-F126 WeakPolarHBondContact O-CB 3.42Å; L122-F126 PolarHBondContact O-N 2.99Å; F126-S128 PolarHBondContact O-N 2.8Å; F126-A129 HydrophobicContact CB-CB 3.74Å; F126-A129 VanDerWaalsContact O-CB 3.3Å; F126-A129 WeakPolarHBondContact O-CB 3.49Å; F126-A129 PolarHBondContact O-N 2.76Å; F126-H131 PolarHBondContact O-NE2 3.2Å
127P94.9Very high93.4Very high105 Ų10547.3 Ų47.368%0.68228%0.275SS*.THydrogen-bonded Turntrans-64.9-22.9-174.425.9-35.6000114.2K123K123-P127 WeakPolarHBondContact O-CA 3.41Å
128S93.3Very high93.5Very high95 Ų9545 Ų4566%0.66426%0.262SS*.THydrogen-bonded Turntrans-87.9-3.9176.556.40000113.6F126 P139F126-S128 PolarHBondContact O-N 2.8Å; S128-P139 WeakPolarHBondContact O-CG 3.15Å
129A95.5Very high93.5Very high11 Ų1146.3 Ų46.39%0.09127%0.271CS..SBendtrans-78.8160.5-178.900000112.3Y99 F126 H131 T136Y99-A129 HydrophobicContact CE2-CB 4.44Å; Y99-A129 WeakPolarHBondContact OH-CB 3.26Å; F126-A129 HydrophobicContact CB-CB 3.74Å; F126-A129 VanDerWaalsContact O-CB 3.3Å; F126-A129 WeakPolarHBondContact O-CB 3.49Å; F126-A129 PolarHBondContact O-N 2.76Å; A129-H131 PolarHBondContact O-CD2 3.01Å; A129-T136 HydrophobicContact CB-CG2 3.48Å; A129-T136 VanDerWaalsContact CB-CG2 3.48Å
130I93Very high93.4Very high59 Ų5950.4 Ų50.430%0.30329%0.291SS..EExtended strand (participates in β ladder)trans-91.2120.3172.7-60.7170.4000107.7L132 T136 V137 P139 V142I130-L132 HydrophobicContact CG2-CD2 4.31Å; I130-L132 HydrophobicContact CG2-CG 4.3Å; I130-T136 CarbonylContact O-C 3.57Å; I130-T136 WeakPolarHBondContact O-CA 3.38Å; I130-V137 PolarHBondContact N-O 2.81Å; I130-V137 PolarHBondContact O-N 2.97Å; I130-P139 HydrophobicContact CD1-CB 4.32Å; I130-P139 HydrophobicContact CD1-CG 4.49Å; I130-P139 HydrophobicContact CG1-CG 4.28Å; I130-V142 HydrophobicContact CD1-CB 4.1Å; I130-V142 HydrophobicContact CD1-CG2 3.6Å
131H93.3Very high93.2Very high52 Ų5248.1 Ų48.124%0.24127%0.273CS..EExtended strand (participates in β ladder)trans-104100.6-178.3-56-72.2000110.8L122 F126 A129 T136L122-H131 PolarHBondContact O-CE1 3.17Å; F126-H131 PolarHBondContact O-NE2 3.2Å; A129-H131 PolarHBondContact O-CD2 3.01Å; H131-T136 WeakPolarHBondContact ND1-CG2 3.3Å; H131-T136 PolarHBondContact ND1-OG1 3.08Å
132L89.8Confident93Very high34 Ų3446.8 Ų46.818%0.17827%0.27CS..EExtended strand (participates in β ladder)trans-90.3159.6171.2-59.3174.2000109.9W107 I130 G134 L135 L177W107-L132 VanDerWaalsContact CZ2-O 3.29Å; W107-L132 WeakPolarHBondContact CZ2-O 3.26Å; I130-L132 HydrophobicContact CG2-CD2 4.31Å; I130-L132 HydrophobicContact CG2-CG 4.3Å; L132-G134 PolarHBondContact O-N 3.32Å; L132-L135 CarbonylContact C-O 3.44Å; L132-L135 WeakPolarHBondContact CA-O 3.19Å; L132-L135 HydrophobicContact CB-CB 4.35Å; L132-L135 HydrophobicContact CD1-CD2 4.35Å; L132-L135 PolarHBondContact N-O 3.4Å; L132-L135 PolarHBondContact O-N 2.98Å; L132-L135 VanDerWaalsContact O-N 3.1Å; L132-L177 HydrophobicContact CD1-CB 4.13Å; L132-L177 HydrophobicContact CD1-CD1 4.15Å
133P86.6Confident92.9Very high107 Ų10750.9 Ų50.970%0.69529%0.291SS*.THydrogen-bonded Turntrans-59.3113.8174.3-22.233.8000110.9L135P133-L135 VanDerWaalsContact C-N 3.34Å
134G88.8Confident92.8Very high17 Ų1750.7 Ų50.718%0.17529%0.292CS..THydrogen-bonded Turntrans90.9-13.1-179.300000115.2W107 L132W107-G134 WeakPolarHBondContact CB-O 3.37Å; W107-G134 VanDerWaalsContact CG-C 3.47Å; W107-G134 PolarHBondContact N-O 2.77Å; L132-G134 PolarHBondContact O-N 3.32Å
135L91.4Very high92.7Very high0 Ų046.2 Ų46.20%027%0.265CS..EExtended strand (participates in β ladder)trans-143.6132.7-169.2179.365.5000112.4Y104 L132 P133 V137 L169 E173Y104-L135 HydrophobicContact CD2-CD1 3.74Å; Y104-L135 HydrophobicContact CG-CD1 4.38Å; L132-L135 CarbonylContact C-O 3.44Å; L132-L135 WeakPolarHBondContact CA-O 3.19Å; L132-L135 HydrophobicContact CB-CB 4.35Å; L132-L135 HydrophobicContact CD1-CD2 4.35Å; L132-L135 PolarHBondContact N-O 3.4Å; L132-L135 PolarHBondContact O-N 2.98Å; L132-L135 VanDerWaalsContact O-N 3.1Å; P133-L135 VanDerWaalsContact C-N 3.34Å; L135-V137 HydrophobicContact CD1-CG2 4.18Å; L135-V137 HydrophobicContact CD2-CG2 3.37Å; L135-V137 HydrophobicContact CG-CG2 3.48Å; L135-V137 VanDerWaalsContact CG-CG2 3.48Å; L135-L169 HydrophobicContact CD1-CD2 3.3Å; L135-L169 HydrophobicContact CD2-CD1 3.65Å; L135-L169 HydrophobicContact CD2-CD2 3.37Å; L135-L169 HydrophobicContact CD2-CG 4.13Å; L135-L169 HydrophobicContact CG-CD2 3.89Å; L135-E173 HydrophobicContact CB-CG 4.38Å; L135-E173 HydrophobicContact CD2-CB 4.37Å
136T94.2Very high92.7Very high0 Ų047.5 Ų47.50%027%0.269CS..EExtended strand (participates in β ladder)trans-109.7129.8166.7-64.60000109.2Y104 V105 W107 L122 A129 I130 H131Y104-T136 CarbonylContact C-O 3.5Å; Y104-T136 WeakPolarHBondContact CA-O 3.35Å; Y104-T136 WeakPolarHBondContact CB-O 3.48Å; V105-T136 PolarHBondContact N-O 2.92Å; V105-T136 PolarHBondContact O-N 2.85Å; W107-T136 PolarHBondContact NE1-OG1 2.92Å; W107-T136 VanDerWaalsContact NE1-OG1 3.11Å; L122-T136 WeakPolarHBondContact CD1-OG1 3.5Å; A129-T136 HydrophobicContact CB-CG2 3.48Å; A129-T136 VanDerWaalsContact CB-CG2 3.48Å; I130-T136 CarbonylContact O-C 3.57Å; I130-T136 WeakPolarHBondContact O-CA 3.38Å; H131-T136 WeakPolarHBondContact ND1-CG2 3.3Å; H131-T136 PolarHBondContact ND1-OG1 3.08Å
137V93.7Very high92.7Very high0 Ų050.9 Ų50.90%029%0.294CS..EExtended strand (participates in β ladder)trans-127.2141.2-174.3-168.10000110.8I130 L135 I141 L177I130-V137 PolarHBondContact N-O 2.81Å; I130-V137 PolarHBondContact O-N 2.97Å; L135-V137 HydrophobicContact CD1-CG2 4.18Å; L135-V137 HydrophobicContact CD2-CG2 3.37Å; L135-V137 HydrophobicContact CG-CG2 3.48Å; L135-V137 VanDerWaalsContact CG-CG2 3.48Å; V137-I141 HydrophobicContact CG1-CB 3.91Å; V137-I141 HydrophobicContact CG1-CD1 3.73Å; V137-I141 HydrophobicContact CG1-CG1 4.33Å; V137-I141 HydrophobicContact CG1-CG2 4.18Å; V137-L177 HydrophobicContact CG1-CD1 4.46Å; V137-L177 HydrophobicContact CG2-CD1 4.43Å
138N94.5Very high92.7Very high37 Ų3747.4 Ų47.420%0.19827%0.27CS..  trans-67.7128.2171.4-171.5-38.9000110Y99 G103 L140 I141Y99-N138 HydrophobicContact CE2-CB 3.99Å; Y99-N138 WeakPolarHBondContact OH-CA 3.17Å; Y99-N138 WeakPolarHBondContact OH-CB 3.17Å; G103-N138 WeakPolarHBondContact O-CB 3.3Å; G103-N138 PolarHBondContact O-N 2.95Å; N138-L140 PolarHBondContact O-N 3.36Å; N138-L140 WeakPolarHBondContact OD1-CB 3.26Å; N138-L140 WeakPolarHBondContact OD1-CG 3.41Å; N138-L140 PolarHBondContact OD1-N 2.92Å; N138-I141 PolarHBondContact O-N 2.86Å
139P93.5Very high92.8Very high35 Ų3543.5 Ų43.523%0.22724%0.241CC..Hα-helixtrans-52.9-29.2179.2-25.732.6000114S128 I130 I141 V142 D143S128-P139 WeakPolarHBondContact O-CG 3.15Å; I130-P139 HydrophobicContact CD1-CB 4.32Å; I130-P139 HydrophobicContact CD1-CG 4.49Å; I130-P139 HydrophobicContact CG1-CG 4.28Å; P139-I141 PolarHBondContact O-N 2.73Å; P139-V142 WeakPolarHBondContact O-CA 3.43Å; P139-V142 WeakPolarHBondContact O-CB 3.21Å; P139-V142 PolarHBondContact O-N 3.36Å; P139-D143 PolarHBondContact O-N 3.45Å
140L92.2Very high92.8Very high108 Ų10846.3 Ų46.357%0.56526%0.26SS*.Hα-helixtrans-56.9-34.7177.1-67.4175.8000112.9N138 V142 D143 Q144N138-L140 PolarHBondContact O-N 3.36Å; N138-L140 WeakPolarHBondContact OD1-CB 3.26Å; N138-L140 WeakPolarHBondContact OD1-CG 3.41Å; N138-L140 PolarHBondContact OD1-N 2.92Å; L140-V142 VanDerWaalsContact C-N 3.33Å; L140-D143 PolarHBondContact O-N 2.99Å; L140-Q144 WeakPolarHBondContact O-CB 3.34Å; L140-Q144 WeakPolarHBondContact O-CG 3.37Å; L140-Q144 PolarHBondContact O-N 3.48Å
141I91.4Very high93Very high17 Ų1744 Ų449%0.08725%0.251CS..Hα-helixtrans-64.9-42.7176.1-66.5173.1000109.8G103 V137 N138 P139 Q144 L145 P166G103-I141 VanDerWaalsContact O-CD1 3.3Å; G103-I141 WeakPolarHBondContact O-CD1 3.24Å; V137-I141 HydrophobicContact CG1-CB 3.91Å; V137-I141 HydrophobicContact CG1-CD1 3.73Å; V137-I141 HydrophobicContact CG1-CG1 4.33Å; V137-I141 HydrophobicContact CG1-CG2 4.18Å; N138-I141 PolarHBondContact O-N 2.86Å; P139-I141 PolarHBondContact O-N 2.73Å; I141-Q144 PolarHBondContact O-N 2.99Å; I141-L145 HydrophobicContact CG2-CD1 4.23Å; I141-L145 VanDerWaalsContact O-CG 3.31Å; I141-L145 WeakPolarHBondContact O-CG 3.37Å; I141-L145 PolarHBondContact O-N 2.72Å; I141-P166 HydrophobicContact CD1-CG 4.36Å
142V91.2Very high93.1Very high13 Ų1341.8 Ų41.88%0.07924%0.241CC..Hα-helixtrans-65.6-41.9178.3173.10000111.2I130 P139 L140 Q144 L145 K146 L177 L181I130-V142 HydrophobicContact CD1-CB 4.1Å; I130-V142 HydrophobicContact CD1-CG2 3.6Å; P139-V142 WeakPolarHBondContact O-CA 3.43Å; P139-V142 WeakPolarHBondContact O-CB 3.21Å; P139-V142 PolarHBondContact O-N 3.36Å; L140-V142 VanDerWaalsContact C-N 3.33Å; V142-Q144 VanDerWaalsContact C-N 3.34Å; V142-L145 PolarHBondContact O-N 2.79Å; V142-K146 HydrophobicContact CG1-CD 4.39Å; V142-K146 WeakPolarHBondContact O-CG 3.48Å; V142-K146 PolarHBondContact O-N 2.85Å; V142-L177 HydrophobicContact CG2-CD1 3.84Å; V142-L181 HydrophobicContact CG1-CD1 4.26Å; V142-L181 HydrophobicContact CG1-CD2 3.87Å
143D93.4Very high93.4Very high86 Ų8642.5 Ų42.546%0.4625%0.247SC..Hα-helixtrans-67-37178-67.8-25.5000111.9P139 L140 K146 S147P139-D143 PolarHBondContact O-N 3.45Å; L140-D143 PolarHBondContact O-N 2.99Å; D143-K146 PolarHBondContact O-N 3.27Å; D143-K146 IonicContact OD1-NZ 2.7Å; D143-S147 PolarHBondContact O-N 3.36Å
144Q93.6Very high93.9Very high106 Ų10645.4 Ų45.450%0.49524%0.244SC..Hα-helixtrans-61.2-49.7170.8-75.9173.50.500111.3L140 I141 V142 K146 S147 L148L140-Q144 WeakPolarHBondContact O-CB 3.34Å; L140-Q144 WeakPolarHBondContact O-CG 3.37Å; L140-Q144 PolarHBondContact O-N 3.48Å; I141-Q144 PolarHBondContact O-N 2.99Å; V142-Q144 VanDerWaalsContact C-N 3.34Å; Q144-K146 VanDerWaalsContact C-N 3.33Å; Q144-K146 PolarHBondContact O-N 3.06Å; Q144-S147 WeakPolarHBondContact O-CB 3.35Å; Q144-S147 PolarHBondContact O-N 3.2Å; Q144-S147 VanDerWaalsContact O-N 3.08Å; Q144-L148 WeakPolarHBondContact O-CG 3.35Å; Q144-L148 PolarHBondContact O-N 3.03Å
145L93.4Very high94.2Very high5 Ų549.1 Ų49.13%0.02626%0.26CS..Hα-helixtrans-58.7-42.7178.2-70.6173.7000112.1I141 V142 S147 L148 I149 L161 I165 L177 L181I141-L145 HydrophobicContact CG2-CD1 4.23Å; I141-L145 VanDerWaalsContact O-CG 3.31Å; I141-L145 WeakPolarHBondContact O-CG 3.37Å; I141-L145 PolarHBondContact O-N 2.72Å; V142-L145 PolarHBondContact O-N 2.79Å; L145-S147 VanDerWaalsContact C-N 3.32Å; L145-S147 PolarHBondContact O-N 2.97Å; L145-L148 PolarHBondContact O-N 3.47Å; L145-I149 WeakPolarHBondContact O-CD1 3.12Å; L145-I149 VanDerWaalsContact O-CG1 3.27Å; L145-I149 WeakPolarHBondContact O-CG1 3.31Å; L145-I149 PolarHBondContact O-N 2.88Å; L145-L161 HydrophobicContact CD2-CD2 4.24Å; L145-I165 HydrophobicContact CD2-CG1 4.37Å; L145-L177 HydrophobicContact CD1-CD2 4.25Å; L145-L177 HydrophobicContact CD1-CG 4.24Å; L145-L181 HydrophobicContact CB-CD1 3.78Å; L145-L181 HydrophobicContact CD1-CD1 4.04Å
146K94.1Very high94.3Very high99 Ų9951.1 Ų51.143%0.4327%0.272SS..Hα-helixtrans-59.9-41.1174.4-73.3172.9-176.8167.10112.6V142 D143 Q144 S150 L181V142-K146 HydrophobicContact CG1-CD 4.39Å; V142-K146 WeakPolarHBondContact O-CG 3.48Å; V142-K146 PolarHBondContact O-N 2.85Å; D143-K146 PolarHBondContact O-N 3.27Å; D143-K146 IonicContact OD1-NZ 2.7Å; Q144-K146 VanDerWaalsContact C-N 3.33Å; Q144-K146 PolarHBondContact O-N 3.06Å; K146-S150 WeakPolarHBondContact O-CB 3.24Å; K146-S150 PolarHBondContact O-N 2.96Å; K146-S150 PolarHBondContact O-OG 3.49Å; K146-L181 HydrophobicContact CG-CD2 4.12Å
147S95.6Very high94.3Very high83 Ų8352.8 Ų52.858%0.5828%0.283SS*.Hα-helixtrans-63.2-43.5176.4-172.70000111.4D143 Q144 L145 S150 G151D143-S147 PolarHBondContact O-N 3.36Å; Q144-S147 WeakPolarHBondContact O-CB 3.35Å; Q144-S147 PolarHBondContact O-N 3.2Å; Q144-S147 VanDerWaalsContact O-N 3.08Å; L145-S147 VanDerWaalsContact C-N 3.32Å; L145-S147 PolarHBondContact O-N 2.97Å; S147-S150 PolarHBondContact O-N 3.28Å; S147-G151 PolarHBondContact O-N 3.28Å
148L95Very high94.3Very high32 Ų3255.4 Ų55.417%0.16829%0.293CS..Hα-helixtrans-63.4-46.7176.9-64177000112.1Q144 L145 S150 G151 V152 I159 L161 Y164Q144-L148 WeakPolarHBondContact O-CG 3.35Å; Q144-L148 PolarHBondContact O-N 3.03Å; L145-L148 PolarHBondContact O-N 3.47Å; L148-S150 VanDerWaalsContact C-N 3.29Å; L148-S150 PolarHBondContact O-N 3.29Å; L148-G151 PolarHBondContact O-N 3.26Å; L148-G151 VanDerWaalsContact O-N 3.1Å; L148-V152 WeakPolarHBondContact O-CG2 3.47Å; L148-V152 PolarHBondContact O-N 2.9Å; L148-I159 HydrophobicContact CB-CD1 4.44Å; L148-I159 HydrophobicContact CD1-CD1 4.31Å; L148-I159 HydrophobicContact CD2-CD1 3.7Å; L148-I159 HydrophobicContact CG-CD1 4.35Å; L148-L161 HydrophobicContact CD1-CD2 3.99Å; L148-Y164 HydrophobicContact CD1-CD1 3.53Å; L148-Y164 HydrophobicContact CD1-CD2 3.65Å; L148-Y164 HydrophobicContact CD1-CE1 3.72Å; L148-Y164 HydrophobicContact CD1-CE2 3.84Å; L148-Y164 HydrophobicContact CD1-CG 3.46Å; L148-Y164 VanDerWaalsContact CD1-CG 3.46Å; L148-Y164 HydrophobicContact CD2-CE1 4.29Å
149I95.7Very high94.3Very high13 Ų1355.3 Ų55.37%0.06729%0.292CS..Hα-helixtrans-56.2-47.3175.8-66.4158.7000110L145 G151 V152 V153 L181 L182 A185 V187 L194L145-I149 WeakPolarHBondContact O-CD1 3.12Å; L145-I149 VanDerWaalsContact O-CG1 3.27Å; L145-I149 WeakPolarHBondContact O-CG1 3.31Å; L145-I149 PolarHBondContact O-N 2.88Å; I149-G151 VanDerWaalsContact C-N 3.29Å; I149-G151 PolarHBondContact O-N 3.06Å; I149-V152 PolarHBondContact O-N 3.43Å; I149-V153 VanDerWaalsContact O-CG2 3.3Å; I149-V153 WeakPolarHBondContact O-CG2 3.4Å; I149-V153 PolarHBondContact O-N 3.29Å; I149-L181 HydrophobicContact CD1-CB 3.73Å; I149-L182 HydrophobicContact CD1-CD2 3.78Å; I149-L182 HydrophobicContact CG1-CD2 4.09Å; I149-A185 HydrophobicContact CG2-CB 3.75Å; I149-V187 HydrophobicContact CG2-CG1 4.46Å; I149-V187 HydrophobicContact CG2-CG2 4.34Å; I149-L194 HydrophobicContact CB-CD2 4.16Å; I149-L194 HydrophobicContact CG1-CD2 3.52Å
150S95.6Very high94.2Very high70 Ų7055.6 Ų55.649%0.4929%0.292SS..Hα-helixtrans-62.8-36.5178.8-570000112.4K146 S147 L148 R154K146-S150 WeakPolarHBondContact O-CB 3.24Å; K146-S150 PolarHBondContact O-N 2.96Å; K146-S150 PolarHBondContact O-OG 3.49Å; S147-S150 PolarHBondContact O-N 3.28Å; L148-S150 VanDerWaalsContact C-N 3.29Å; L148-S150 PolarHBondContact O-N 3.29Å; S150-R154 VanDerWaalsContact O-CB 3.32Å; S150-R154 WeakPolarHBondContact O-CB 3.4Å; S150-R154 PolarHBondContact O-N 3.45Å; S150-R154 VanDerWaalsContact O-N 3.12Å
151G95.8Very high94.2Very high11 Ų1150.7 Ų50.711%0.11327%0.266CS..Hα-helixtrans-64-51.3174.600000112.6S147 L148 I149 V153 R154 D155S147-G151 PolarHBondContact O-N 3.28Å; L148-G151 PolarHBondContact O-N 3.26Å; L148-G151 VanDerWaalsContact O-N 3.1Å; I149-G151 VanDerWaalsContact C-N 3.29Å; I149-G151 PolarHBondContact O-N 3.06Å; G151-V153 VanDerWaalsContact C-N 3.31Å; G151-V153 PolarHBondContact O-N 3.46Å; G151-R154 PolarHBondContact O-N 3.32Å; G151-D155 WeakPolarHBondContact O-CB 3.26Å; G151-D155 VanDerWaalsContact O-CG 3.28Å; G151-D155 PolarHBondContact O-N 3.39Å
152V96.5Very high94.1Very high5 Ų551.4 Ų51.43%0.0327%0.273CS..Hα-helixtrans-57.2-43.7178.7169.60000112L148 I149 V156 S157 I159 V187 L194 A196L148-V152 WeakPolarHBondContact O-CG2 3.47Å; L148-V152 PolarHBondContact O-N 2.9Å; I149-V152 PolarHBondContact O-N 3.43Å; V152-V156 WeakPolarHBondContact O-CA 3.42Å; V152-V156 PolarHBondContact O-N 2.95Å; V152-S157 WeakPolarHBondContact CG1-O 3.29Å; V152-S157 PolarHBondContact O-N 2.97Å; V152-I159 HydrophobicContact CG2-CB 3.82Å; V152-I159 HydrophobicContact CG2-CG2 3.38Å; V152-V187 HydrophobicContact CG1-CG1 4.32Å; V152-L194 HydrophobicContact CB-CD2 4.47Å; V152-L194 HydrophobicContact CG2-CD2 4.3Å; V152-A196 HydrophobicContact CG1-CB 3.97Å
153V96.4Very high93.9Very high48 Ų4858.8 Ų58.829%0.29131%0.306SS..Hα-helixtrans-64.8-44.1177.9172.50000111.7I149 G151 P186 V187I149-V153 VanDerWaalsContact O-CG2 3.3Å; I149-V153 WeakPolarHBondContact O-CG2 3.4Å; I149-V153 PolarHBondContact O-N 3.29Å; G151-V153 VanDerWaalsContact C-N 3.31Å; G151-V153 PolarHBondContact O-N 3.46Å; V153-P186 HydrophobicContact CG1-CG 3.78Å; V153-P186 HydrophobicContact CG2-CG 3.95Å; V153-V187 HydrophobicContact CG2-CG1 3.37Å
154R96.1Very high93.6Very high168 Ų16859.3 Ų59.363%0.63430%0.302SS*.Hα-helixtrans-67.4-44-178.5-180-171.661.8-119.4-7.5111.7S150 G151 V156S150-R154 VanDerWaalsContact O-CB 3.32Å; S150-R154 WeakPolarHBondContact O-CB 3.4Å; S150-R154 PolarHBondContact O-N 3.45Å; S150-R154 VanDerWaalsContact O-N 3.12Å; G151-R154 PolarHBondContact O-N 3.32Å; R154-V156 VanDerWaalsContact C-N 3.28Å; R154-V156 PolarHBondContact O-N 3.23Å
155D94.6Very high93.3Very high96 Ų9655.1 Ų55.151%0.51328%0.283SS..Hα-helixtrans-88-2.9-172.1-55.6-24.4000111.7G151 S157G151-D155 WeakPolarHBondContact O-CB 3.26Å; G151-D155 VanDerWaalsContact O-CG 3.28Å; G151-D155 PolarHBondContact O-N 3.39Å; D155-S157 VanDerWaalsContact C-N 3.34Å; D155-S157 PolarHBondContact O-N 2.87Å
156V93.9Very high92.8Very high42 Ų4255.6 Ų55.626%0.25529%0.286SS..THydrogen-bonded Turntrans50.956.3-178.8-173.10000109.9V152 R154 K198 F199V152-V156 WeakPolarHBondContact O-CA 3.42Å; V152-V156 PolarHBondContact O-N 2.95Å; R154-V156 VanDerWaalsContact C-N 3.28Å; R154-V156 PolarHBondContact O-N 3.23Å; V156-K198 HydrophobicContact CB-CB 4.5Å; V156-K198 HydrophobicContact CG1-CB 3.49Å; V156-K198 VanDerWaalsContact CG1-CB 3.49Å; V156-K198 HydrophobicContact CG2-CB 4.24Å; V156-K198 HydrophobicContact CG2-CD 4.2Å; V156-F199 HydrophobicContact CG1-CB 4.27Å; V156-F199 WeakPolarHBondContact O-CD2 3.48Å
157S93.4Very high92.1Very high34 Ų3456.9 Ų56.924%0.23830%0.298CS..  trans-131.1-162.3-168.966.60000111.8V152 D155 A196V152-S157 WeakPolarHBondContact CG1-O 3.29Å; V152-S157 PolarHBondContact O-N 2.97Å; D155-S157 VanDerWaalsContact C-N 3.34Å; D155-S157 PolarHBondContact O-N 2.87Å; S157-A196 WeakPolarHBondContact O-CB 3.3Å; S157-A196 PolarHBondContact O-N 2.92Å
158W94.1Very high91.2Very high55 Ų5554.7 Ų54.721%0.20829%0.288CS..EExtended strand (participates in β ladder)trans-134160.9173.562.8-87.2000108.9Y193 L194 I195 F199 D323 P325 V328W158-Y193 HydrophobicContact CE3-CD1 4.11Å; W158-Y193 HydrophobicContact CZ3-CD1 4.23Å; W158-Y193 HydrophobicContact CZ3-CE1 4.21Å; W158-L194 CarbonylContact C-O 3.54Å; W158-L194 VanDerWaalsContact CA-O 3.22Å; W158-L194 WeakPolarHBondContact CA-O 3.38Å; W158-I195 HydrophobicContact CB-CB 4.47Å; W158-I195 HydrophobicContact CB-CG1 3.87Å; W158-F199 AromaticContact CD1-CZ 3.8Å; W158-D323 WeakPolarHBondContact CZ2-O 3.39Å; W158-P325 HydrophobicContact CH2-CG 3.62Å; W158-P325 HydrophobicContact CZ2-CG 4.26Å; W158-P325 HydrophobicContact CZ3-CG 4.05Å; W158-V328 HydrophobicContact CD2-CG1 4.47Å; W158-V328 HydrophobicContact CD2-CG2 4.31Å; W158-V328 HydrophobicContact CE3-CG2 3.96Å; W158-V328 HydrophobicContact CG-CG1 4.32Å; W158-V328 HydrophobicContact CZ3-CG2 4.25Å
159I94.4Very high90.6Very high36 Ų3653.3 Ų53.319%0.18528%0.281CS..EExtended strand (participates in β ladder)trans-148.6145.7172.6-166.2171.5000110.5L148 V152 L161 Y164 Y193 L194L148-I159 HydrophobicContact CB-CD1 4.44Å; L148-I159 HydrophobicContact CD1-CD1 4.31Å; L148-I159 HydrophobicContact CD2-CD1 3.7Å; L148-I159 HydrophobicContact CG-CD1 4.35Å; V152-I159 HydrophobicContact CG2-CB 3.82Å; V152-I159 HydrophobicContact CG2-CG2 3.38Å; I159-L161 HydrophobicContact CG2-CD2 3.89Å; I159-L161 HydrophobicContact CG2-CG 4.45Å; I159-Y164 HydrophobicContact CD1-CE2 4.04Å; I159-Y164 HydrophobicContact CG1-CE2 4.5Å; I159-Y193 WeakPolarHBondContact O-CA 3.22Å; I159-L194 HydrophobicContact CG2-CB 3.9Å; I159-L194 HydrophobicContact CG2-CD2 4.35Å; I159-L194 PolarHBondContact N-O 2.83Å; I159-L194 PolarHBondContact O-N 3.04Å
160D93.1Very high90.1Very high41 Ų4156 Ų5622%0.21930%0.296CS..EExtended strand (participates in β ladder)trans-85.2119.8169.2-1743.1000110.8S162 T192 Y193D160-S162 WeakPolarHBondContact OD1-CB 3.22Å; D160-S162 PolarHBondContact OD1-N 3.42Å; D160-S162 PolarHBondContact OD1-OG 2.96Å; D160-S162 PolarHBondContact OD2-OG 2.98Å; D160-T192 PolarHBondContact OD1-OG1 3.24Å; D160-Y193 HydrophobicContact CB-CD1 3.89Å; D160-Y193 HydrophobicContact CB-CE1 3.7Å
161L91.2Very high89.4Confident4 Ų456.8 Ų56.82%0.02130%0.301CS..  trans-86.6-2177.8-60.9-177.4000113.7L145 L148 I159 H163 Y164 I165 L189 T192 L194L145-L161 HydrophobicContact CD2-CD2 4.24Å; L148-L161 HydrophobicContact CD1-CD2 3.99Å; I159-L161 HydrophobicContact CG2-CD2 3.89Å; I159-L161 HydrophobicContact CG2-CG 4.45Å; L161-H163 PolarHBondContact O-N 3.24Å; L161-H163 VanDerWaalsContact O-N 3.11Å; L161-Y164 HydrophobicContact CD2-CD2 4.37Å; L161-Y164 PolarHBondContact O-N 3.23Å; L161-I165 HydrophobicContact CB-CD1 3.7Å; L161-I165 HydrophobicContact CB-CG1 4.14Å; L161-I165 HydrophobicContact CD1-CD1 4.24Å; L161-I165 PolarHBondContact O-N 2.99Å; L161-L189 HydrophobicContact CD1-CD1 4Å; L161-T192 VanDerWaalsContact CB-O 3.28Å; L161-T192 WeakPolarHBondContact CB-O 3.23Å; L161-T192 PolarHBondContact N-O 2.84Å; L161-L194 HydrophobicContact CD1-CB 3.91Å; L161-L194 HydrophobicContact CD1-CD2 4.5Å; L161-L194 HydrophobicContact CG-CB 4.07Å
162S88.9Confident88.9Confident33 Ų3361.6 Ų61.623%0.23133%0.325CS..THydrogen-bonded Turntrans-53.5-35.3-176.8-60.70000113.6D160 T192D160-S162 WeakPolarHBondContact OD1-CB 3.22Å; D160-S162 PolarHBondContact OD1-N 3.42Å; D160-S162 PolarHBondContact OD1-OG 2.96Å; D160-S162 PolarHBondContact OD2-OG 2.98Å; S162-T192 VanDerWaalsContact OG-CB 3.23Å; S162-T192 WeakPolarHBondContact OG-CB 3.41Å; S162-T192 WeakPolarHBondContact OG-CG2 3.24Å; S162-T192 PolarHBondContact OG-OG1 3.37Å
163H87.6Confident88.4Confident167 Ų16762.2 Ų62.277%0.77333%0.327SS*.THydrogen-bonded Turntrans-89.5-11-179.4-61.7-51.5000114.4L161L161-H163 PolarHBondContact O-N 3.24Å; L161-H163 VanDerWaalsContact O-N 3.11Å
164Y88Confident87.9Confident98 Ų9864.7 Ų64.738%0.38433%0.331SS..THydrogen-bonded Turntrans-101.5-23.8-178.7-60.7-80.4000112.4L148 I159 L161L148-Y164 HydrophobicContact CD1-CD1 3.53Å; L148-Y164 HydrophobicContact CD1-CD2 3.65Å; L148-Y164 HydrophobicContact CD1-CE1 3.72Å; L148-Y164 HydrophobicContact CD1-CE2 3.84Å; L148-Y164 HydrophobicContact CD1-CG 3.46Å; L148-Y164 VanDerWaalsContact CD1-CG 3.46Å; L148-Y164 HydrophobicContact CD2-CE1 4.29Å; I159-Y164 HydrophobicContact CD1-CE2 4.04Å; I159-Y164 HydrophobicContact CG1-CE2 4.5Å; L161-Y164 HydrophobicContact CD2-CD2 4.37Å; L161-Y164 PolarHBondContact O-N 3.23Å
165I86.8Confident87.4Confident18 Ų1858.9 Ų58.99%0.09232%0.316CS..SBendtrans-94.7130.4175.4-60.9171.3000108.3L145 L161 N167 L169 R174 V178L145-I165 HydrophobicContact CD2-CG1 4.37Å; L161-I165 HydrophobicContact CB-CD1 3.7Å; L161-I165 HydrophobicContact CB-CG1 4.14Å; L161-I165 HydrophobicContact CD1-CD1 4.24Å; L161-I165 PolarHBondContact O-N 2.99Å; I165-N167 PolarHBondContact O-N 3.03Å; I165-L169 HydrophobicContact CG2-CD1 4.16Å; I165-R174 HydrophobicContact CG2-CG 3.86Å; I165-V178 HydrophobicContact CD1-CG2 3.75Å; I165-V178 HydrophobicContact CG1-CG2 4.36Å
166P83.2Confident86.9Confident14 Ų1456.1 Ų56.19%0.09131%0.307CS..  trans-61.3130.9178.9-20.329.1000113.4Y104 I141 G168 L169Y104-P166 HydrophobicContact CD1-CB 3.46Å; Y104-P166 VanDerWaalsContact CD1-CB 3.46Å; Y104-P166 HydrophobicContact CD1-CG 3.61Å; Y104-P166 HydrophobicContact CD2-CB 4.2Å; Y104-P166 HydrophobicContact CE1-CB 3.34Å; Y104-P166 HydrophobicContact CE1-CG 4.03Å; Y104-P166 HydrophobicContact CE2-CB 4.06Å; Y104-P166 HydrophobicContact CG-CB 3.92Å; Y104-P166 HydrophobicContact CG-CG 3.94Å; I141-P166 HydrophobicContact CD1-CG 4.36Å; P166-G168 VanDerWaalsContact C-N 3.26Å; P166-G168 PolarHBondContact O-N 2.91Å; P166-L169 HydrophobicContact CB-CD1 4.35Å; P166-L169 HydrophobicContact CB-CG 4.05Å; P166-L169 HydrophobicContact CG-CD1 4.26Å; P166-L169 HydrophobicContact CG-CG 4.47Å; P166-L169 VanDerWaalsContact O-CG 3.31Å; P166-L169 WeakPolarHBondContact O-CG 3.33Å; P166-L169 PolarHBondContact O-N 2.99Å
167N79.2Confident86.7Confident126 Ų12654.5 Ų54.567%0.67430%0.297SS*.THydrogen-bonded Turntrans-65.3-26.8-174.9-70.4-28.3000114.1I165 L169 R174I165-N167 PolarHBondContact O-N 3.03Å; N167-L169 PolarHBondContact O-N 2.96Å; N167-R174 PolarHBondContact O-NH2 3.18Å
168G77Confident86.5Confident37 Ų3753 Ų5338%0.38129%0.286SS..THydrogen-bonded Turntrans-68.2-16.9-179.700000114.3E106 P166E106-G168 VanDerWaalsContact OE1-CA 3.31Å; E106-G168 WeakPolarHBondContact OE1-CA 3.21Å; P166-G168 VanDerWaalsContact C-N 3.26Å; P166-G168 PolarHBondContact O-N 2.91Å
169L82.4Confident86.3Confident3 Ų354.7 Ų54.72%0.01630%0.299CS..  trans-69.7138.8-177-56.1-169.9000111.8Y104 L135 I165 P166 N167 E173 R174 L177Y104-L169 HydrophobicContact CD2-CD2 4.1Å; Y104-L169 HydrophobicContact CE2-CD2 4.28Å; L135-L169 HydrophobicContact CD1-CD2 3.3Å; L135-L169 HydrophobicContact CD2-CD1 3.65Å; L135-L169 HydrophobicContact CD2-CD2 3.37Å; L135-L169 HydrophobicContact CD2-CG 4.13Å; L135-L169 HydrophobicContact CG-CD2 3.89Å; I165-L169 HydrophobicContact CG2-CD1 4.16Å; P166-L169 HydrophobicContact CB-CD1 4.35Å; P166-L169 HydrophobicContact CB-CG 4.05Å; P166-L169 HydrophobicContact CG-CD1 4.26Å; P166-L169 HydrophobicContact CG-CG 4.47Å; P166-L169 VanDerWaalsContact O-CG 3.31Å; P166-L169 WeakPolarHBondContact O-CG 3.33Å; P166-L169 PolarHBondContact O-N 2.99Å; N167-L169 PolarHBondContact O-N 2.96Å; L169-E173 WeakPolarHBondContact CA-OE2 3.34Å; L169-E173 HydrophobicContact CB-CB 4.11Å; L169-E173 HydrophobicContact CD2-CB 4.48Å; L169-R174 HydrophobicContact CB-CG 3.57Å; L169-R174 HydrophobicContact CD1-CG 4.26Å; L169-R174 PolarHBondContact O-NE 3.3Å; L169-R174 PolarHBondContact O-NH2 3.02Å; L169-L177 HydrophobicContact CD1-CD2 4.09Å
170D83.3Confident86.1Confident71 Ų7157.3 Ų57.338%0.3832%0.319SS..  trans-75.9173.3168.876.526.2000112N172 E173 R174D170-N172 PolarHBondContact O-N 3.16Å; D170-N172 WeakPolarHBondContact OD1-CA 3.45Å; D170-N172 WeakPolarHBondContact OD1-CB 3.31Å; D170-N172 PolarHBondContact OD1-N 3.01Å; D170-E173 PolarHBondContact N-OE2 3.31Å; D170-E173 VanDerWaalsContact N-OE2 3.08Å; D170-E173 PolarHBondContact O-N 3.37Å; D170-E173 WeakPolarHBondContact OD1-CB 3.37Å; D170-E173 WeakPolarHBondContact OD1-CG 3.38Å; D170-E173 PolarHBondContact OD1-N 3.47Å; D170-R174 WeakPolarHBondContact O-CB 3.49Å; D170-R174 VanDerWaalsContact O-CG 3.24Å; D170-R174 WeakPolarHBondContact O-CG 3.23Å; D170-R174 PolarHBondContact O-N 2.93Å
171S82.9Confident85.9Confident86 Ų8657 Ų5760%0.60132%0.317SS*.Hα-helixtrans-60.1-34.1-179.457.40000113.2S175S171-S175 WeakPolarHBondContact O-CB 3.2Å; S171-S175 PolarHBondContact O-N 2.95Å; S171-S175 PolarHBondContact O-OG 2.75Å
172N84.3Confident85.9Confident112 Ų11257.9 Ų57.960%0.59932%0.322SS*.Hα-helixtrans-74.2-45.1-178-61.1-39.7000110.3D170 S175 A176D170-N172 PolarHBondContact O-N 3.16Å; D170-N172 WeakPolarHBondContact OD1-CA 3.45Å; D170-N172 WeakPolarHBondContact OD1-CB 3.31Å; D170-N172 PolarHBondContact OD1-N 3.01Å; N172-S175 PolarHBondContact O-N 3.31Å; N172-S175 PolarHBondContact O-OG 2.76Å; N172-A176 WeakPolarHBondContact O-CB 3.45Å; N172-A176 PolarHBondContact O-N 2.96Å
173E84.9Confident85.9Confident17 Ų1764.7 Ų64.78%0.07935%0.347CS..Hα-helixtrans-62.3-43.6176.6-70.9173.4155.400111.4L135 L169 D170 S175 A176 L177L135-E173 HydrophobicContact CB-CG 4.38Å; L135-E173 HydrophobicContact CD2-CB 4.37Å; L169-E173 WeakPolarHBondContact CA-OE2 3.34Å; L169-E173 HydrophobicContact CB-CB 4.11Å; L169-E173 HydrophobicContact CD2-CB 4.48Å; D170-E173 PolarHBondContact N-OE2 3.31Å; D170-E173 VanDerWaalsContact N-OE2 3.08Å; D170-E173 PolarHBondContact O-N 3.37Å; D170-E173 WeakPolarHBondContact OD1-CB 3.37Å; D170-E173 WeakPolarHBondContact OD1-CG 3.38Å; D170-E173 PolarHBondContact OD1-N 3.47Å; E173-S175 PolarHBondContact O-N 3.08Å; E173-A176 PolarHBondContact O-N 2.72Å; E173-L177 WeakPolarHBondContact O-CB 3.27Å; E173-L177 PolarHBondContact O-N 3.25Å
174R86.5Confident85.9Confident100 Ų10064 Ų6438%0.37735%0.349SS..Hα-helixtrans-59.8-46.8173.5-69.3179.5-166.3156.44.6111.3I165 N167 L169 D170 A176 L177 V178I165-R174 HydrophobicContact CG2-CG 3.86Å; N167-R174 PolarHBondContact O-NH2 3.18Å; L169-R174 HydrophobicContact CB-CG 3.57Å; L169-R174 HydrophobicContact CD1-CG 4.26Å; L169-R174 PolarHBondContact O-NE 3.3Å; L169-R174 PolarHBondContact O-NH2 3.02Å; D170-R174 WeakPolarHBondContact O-CB 3.49Å; D170-R174 VanDerWaalsContact O-CG 3.24Å; D170-R174 WeakPolarHBondContact O-CG 3.23Å; D170-R174 PolarHBondContact O-N 2.93Å; R174-A176 VanDerWaalsContact C-N 3.32Å; R174-A176 PolarHBondContact O-N 3.08Å; R174-L177 PolarHBondContact O-N 2.85Å; R174-V178 WeakPolarHBondContact O-CG2 3.38Å; R174-V178 PolarHBondContact O-N 3.37Å
175S85Confident86.1Confident46 Ų4660.5 Ų60.532%0.32234%0.34SS..Hα-helixtrans-63.5-38.9178.579.60000112.1S171 N172 E173 L177 V178 N179S171-S175 WeakPolarHBondContact O-CB 3.2Å; S171-S175 PolarHBondContact O-N 2.95Å; S171-S175 PolarHBondContact O-OG 2.75Å; N172-S175 PolarHBondContact O-N 3.31Å; N172-S175 PolarHBondContact O-OG 2.76Å; E173-S175 PolarHBondContact O-N 3.08Å; S175-L177 VanDerWaalsContact C-N 3.3Å; S175-L177 PolarHBondContact O-N 3.37Å; S175-V178 PolarHBondContact O-N 3.04Å; S175-N179 WeakPolarHBondContact O-CB 3.45Å; S175-N179 PolarHBondContact O-N 3.38Å; S175-N179 PolarHBondContact O-ND2 2.61Å
176A85.6Confident86.5Confident38 Ų3862.7 Ų62.731%0.31436%0.356SS..Hα-helixtrans-68.1-30.9177.900000112.3N172 E173 R174 P180N172-A176 WeakPolarHBondContact O-CB 3.45Å; N172-A176 PolarHBondContact O-N 2.96Å; E173-A176 PolarHBondContact O-N 2.72Å; R174-A176 VanDerWaalsContact C-N 3.32Å; R174-A176 PolarHBondContact O-N 3.08Å; A176-P180 VanDerWaalsContact O-CD 3.26Å; A176-P180 WeakPolarHBondContact O-CD 3.28Å; A176-P180 VanDerWaalsContact O-CG 3.29Å; A176-P180 WeakPolarHBondContact O-CG 3.43Å
177L88.2Confident87Confident8 Ų862.7 Ų62.74%0.04236%0.355CS..Hα-helixtrans-75.4-44.7175.2-17962.8000112L132 V137 V142 L145 L169 E173 R174 S175L132-L177 HydrophobicContact CD1-CB 4.13Å; L132-L177 HydrophobicContact CD1-CD1 4.15Å; V137-L177 HydrophobicContact CG1-CD1 4.46Å; V137-L177 HydrophobicContact CG2-CD1 4.43Å; V142-L177 HydrophobicContact CG2-CD1 3.84Å; L145-L177 HydrophobicContact CD1-CD2 4.25Å; L145-L177 HydrophobicContact CD1-CG 4.24Å; L169-L177 HydrophobicContact CD1-CD2 4.09Å; E173-L177 WeakPolarHBondContact O-CB 3.27Å; E173-L177 PolarHBondContact O-N 3.25Å; R174-L177 PolarHBondContact O-N 2.85Å; S175-L177 VanDerWaalsContact C-N 3.3Å; S175-L177 PolarHBondContact O-N 3.37Å
178V90.3Very high87.6Confident4 Ų460.9 Ų60.92%0.02434%0.341CS..Hα-helixtrans-92.6-44-168.1-177.10000112.8I165 R174 S175 P180 L181 L182 L189I165-V178 HydrophobicContact CD1-CG2 3.75Å; I165-V178 HydrophobicContact CG1-CG2 4.36Å; R174-V178 WeakPolarHBondContact O-CG2 3.38Å; R174-V178 PolarHBondContact O-N 3.37Å; S175-V178 PolarHBondContact O-N 3.04Å; V178-P180 VanDerWaalsContact C-CD 3.43Å; V178-P180 VanDerWaalsContact C-N 3.34Å; V178-L181 WeakPolarHBondContact O-CA 3.31Å; V178-L181 WeakPolarHBondContact O-CB 3.2Å; V178-L181 PolarHBondContact O-N 2.83Å; V178-L182 HydrophobicContact CG1-CD1 3.69Å; V178-L182 HydrophobicContact CG1-CD2 4.21Å; V178-L182 HydrophobicContact CG1-CG 3.83Å; V178-L182 PolarHBondContact O-N 2.88Å; V178-L189 HydrophobicContact CB-CD2 4.39Å; V178-L189 HydrophobicContact CG1-CD2 3.82Å
179N89.7Confident88.3Confident90 Ų9061.7 Ų61.748%0.48134%0.337SS..Hα-helixtrans-55.3-39.7-174.6-68.6-13.6000114.3S175 L181 L182 K183S175-N179 WeakPolarHBondContact O-CB 3.45Å; S175-N179 PolarHBondContact O-N 3.38Å; S175-N179 PolarHBondContact O-ND2 2.61Å; N179-L181 PolarHBondContact O-N 2.82Å; N179-L182 PolarHBondContact O-N 3.4Å; N179-L182 VanDerWaalsContact O-N 3.16Å; N179-K183 PolarHBondContact O-N 3.33Å
180P89.6Confident88.6Confident91 Ų9163 Ų6359%0.59134%0.344SS*.Hα-helixtrans-61.6-27.2175.7-24.436.1000113.7A176 V178A176-P180 VanDerWaalsContact O-CD 3.26Å; A176-P180 WeakPolarHBondContact O-CD 3.28Å; A176-P180 VanDerWaalsContact O-CG 3.29Å; A176-P180 WeakPolarHBondContact O-CG 3.43Å; V178-P180 VanDerWaalsContact C-CD 3.43Å; V178-P180 VanDerWaalsContact C-N 3.34Å
181L89.8Confident88.6Confident34 Ų3467.2 Ų67.218%0.17836%0.361CS..Hα-helixtrans-81.5-22.6179-52.5179.3000112.4V142 L145 K146 I149 V178 N179V142-L181 HydrophobicContact CG1-CD1 4.26Å; V142-L181 HydrophobicContact CG1-CD2 3.87Å; L145-L181 HydrophobicContact CB-CD1 3.78Å; L145-L181 HydrophobicContact CD1-CD1 4.04Å; K146-L181 HydrophobicContact CG-CD2 4.12Å; I149-L181 HydrophobicContact CD1-CB 3.73Å; V178-L181 WeakPolarHBondContact O-CA 3.31Å; V178-L181 WeakPolarHBondContact O-CB 3.2Å; V178-L181 PolarHBondContact O-N 2.83Å; N179-L181 PolarHBondContact O-N 2.82Å
182L91.7Very high88.8Confident23 Ų2365.2 Ų65.212%0.1235%0.345CS..Hα-helixtrans-92.8-17.8-176.4-56.7-174.3000114I149 V178 N179 D184 A185 V187 L189 L194I149-L182 HydrophobicContact CD1-CD2 3.78Å; I149-L182 HydrophobicContact CG1-CD2 4.09Å; V178-L182 HydrophobicContact CG1-CD1 3.69Å; V178-L182 HydrophobicContact CG1-CD2 4.21Å; V178-L182 HydrophobicContact CG1-CG 3.83Å; V178-L182 PolarHBondContact O-N 2.88Å; N179-L182 PolarHBondContact O-N 3.4Å; N179-L182 VanDerWaalsContact O-N 3.16Å; L182-D184 PolarHBondContact O-N 3.11Å; L182-A185 PolarHBondContact O-N 2.82Å; L182-V187 HydrophobicContact CD2-CG2 3.77Å; L182-L189 HydrophobicContact CD1-CB 3.55Å; L182-L189 HydrophobicContact CD1-CD2 4.12Å; L182-L189 HydrophobicContact CD1-CG 4.42Å; L182-L194 HydrophobicContact CD1-CD1 4.39Å; L182-L194 HydrophobicContact CD2-CD1 3.67Å
183K88.4Confident89.2Confident175 Ų17561.1 Ų61.176%0.76132%0.321SS*.THydrogen-bonded Turntrans-50.1-37.1-168.9-173.3-179.6175.2-172.90114.6N179N179-K183 PolarHBondContact O-N 3.33Å
184D87Confident89.7Confident154 Ų15460.3 Ų60.382%0.82432%0.318SS*.THydrogen-bonded Turntrans-114.58.5-176.5-56.7-49.2000113L182L182-D184 PolarHBondContact O-N 3.11Å
185A91.9Very high90.1Very high24 Ų2455.5 Ų55.520%0.19830%0.3CS..SBendtrans-99.6136.7-177.400000110.9I149 L182 V187I149-A185 HydrophobicContact CG2-CB 3.75Å; L182-A185 PolarHBondContact O-N 2.82Å; A185-V187 HydrophobicContact CB-CG2 3.63Å; A185-V187 PolarHBondContact O-N 3.02Å
186P94.8Very high90.6Very high64 Ų6453.4 Ų53.442%0.41629%0.285SS..SBendtrans-78.462179.134-36.3000111.1V153 D197V153-P186 HydrophobicContact CG1-CG 3.78Å; V153-P186 HydrophobicContact CG2-CG 3.95Å; P186-D197 VanDerWaalsContact CA-OD2 3.23Å; P186-D197 WeakPolarHBondContact CA-OD2 3.39Å; P186-D197 HydrophobicContact CB-CB 4.47Å; P186-D197 PolarHBondContact O-N 3.01Å
187V94.5Very high91.1Very high13 Ų1353.9 Ų53.98%0.07928%0.282CS..EExtended strand (participates in β ladder)trans-141.5151.7-174.7-620000109.9I149 V152 V153 L182 A185 L194 I195I149-V187 HydrophobicContact CG2-CG1 4.46Å; I149-V187 HydrophobicContact CG2-CG2 4.34Å; V152-V187 HydrophobicContact CG1-CG1 4.32Å; V153-V187 HydrophobicContact CG2-CG1 3.37Å; L182-V187 HydrophobicContact CD2-CG2 3.77Å; A185-V187 HydrophobicContact CB-CG2 3.63Å; A185-V187 PolarHBondContact O-N 3.02Å; V187-L194 HydrophobicContact CB-CD1 3.78Å; V187-L194 HydrophobicContact CB-CG 4.22Å; V187-L194 HydrophobicContact CG2-CD1 3.66Å; V187-L194 HydrophobicContact CG2-CG 4.45Å; V187-I195 CarbonylContact C-O 3.48Å; V187-I195 VanDerWaalsContact CA-O 3.24Å; V187-I195 WeakPolarHBondContact CA-O 3.39Å
188K92Very high91.5Very high88 Ų8859.7 Ų59.738%0.38331%0.307SS..EExtended strand (participates in β ladder)trans-117.1134.6171-63.4-172.3-173.8-173.40109.8L190 L194 I195 D197 I200 V335K188-L190 HydrophobicContact CB-CD2 4.48Å; K188-L194 WeakPolarHBondContact O-CA 3.4Å; K188-I195 PolarHBondContact N-O 2.85Å; K188-I195 PolarHBondContact O-N 2.87Å; K188-D197 VanDerWaalsContact CE-OD1 3.31Å; K188-D197 WeakPolarHBondContact CE-OD1 3.45Å; K188-D197 WeakPolarHBondContact CG-OD1 3.31Å; K188-I200 HydrophobicContact CB-CD1 4.44Å; K188-I200 HydrophobicContact CD-CD1 3.76Å; K188-I200 HydrophobicContact CG-CD1 4.27Å; K188-V335 HydrophobicContact CD-CG1 4.28Å
189L91.6Very high91.7Very high55 Ų5560.1 Ų60.129%0.28831%0.309SS..EExtended strand (participates in β ladder)trans-94.8114.8168.7179.969.5000108.5L161 V178 L182 Y193 L194L161-L189 HydrophobicContact CD1-CD1 4Å; V178-L189 HydrophobicContact CB-CD2 4.39Å; V178-L189 HydrophobicContact CG1-CD2 3.82Å; L182-L189 HydrophobicContact CD1-CB 3.55Å; L182-L189 HydrophobicContact CD1-CD2 4.12Å; L182-L189 HydrophobicContact CD1-CG 4.42Å; L189-Y193 WeakPolarHBondContact CA-O 3.49Å; L189-L194 HydrophobicContact CB-CD1 4.45Å
190L88Confident91.9Very high30 Ų3056.4 Ų56.416%0.15729%0.289CS..EExtended strand (participates in β ladder)trans-111.7102.7174.1-54-178.1000107K188 T192 Y193 I195 Q331 V335K188-L190 HydrophobicContact CB-CD2 4.48Å; L190-T192 PolarHBondContact O-N 3.42Å; L190-Y193 PolarHBondContact N-O 3.37Å; L190-Y193 PolarHBondContact O-N 2.93Å; L190-I195 HydrophobicContact CB-CD1 4.47Å; L190-I195 HydrophobicContact CD1-CD1 3.51Å; L190-I195 HydrophobicContact CG-CD1 4.07Å; L190-Q331 HydrophobicContact CB-CB 4.25Å; L190-Q331 HydrophobicContact CD1-CB 3.74Å; L190-Q331 PolarHBondContact O-OE1 3.39Å; L190-Q331 VanDerWaalsContact O-OE1 3.04Å; L190-V335 HydrophobicContact CD1-CG2 3.73Å; L190-V335 HydrophobicContact CD2-CG2 3.73Å; L190-V335 HydrophobicContact CG-CG2 4.42Å
191E84.3Confident92.1Very high160 Ų16057.9 Ų57.975%0.74829%0.288SS*.THydrogen-bonded Turntrans55.2-94.7-172-55.7-175.4159.600112.7Q331E191-Q331 PolarHBondContact OE2-NE2 2.92Å
192T86.8Confident92.2Very high43 Ų4363.2 Ų63.226%0.26431%0.305SS..THydrogen-bonded Turntrans-109.1-13.8177.757.20000113D160 L161 S162 L190D160-T192 PolarHBondContact OD1-OG1 3.24Å; L161-T192 VanDerWaalsContact CB-O 3.28Å; L161-T192 WeakPolarHBondContact CB-O 3.23Å; L161-T192 PolarHBondContact N-O 2.84Å; S162-T192 VanDerWaalsContact OG-CB 3.23Å; S162-T192 WeakPolarHBondContact OG-CB 3.41Å; S162-T192 WeakPolarHBondContact OG-CG2 3.24Å; S162-T192 PolarHBondContact OG-OG1 3.37Å; L190-T192 PolarHBondContact O-N 3.42Å
193Y92.7Very high92.3Very high26 Ų2662.1 Ų62.110%0.10230%0.3CS..EExtended strand (participates in β ladder)trans-89.7125.7-177.2-61.2-75.8000111.2W158 I159 D160 L189 L190 E327 V328W158-Y193 HydrophobicContact CE3-CD1 4.11Å; W158-Y193 HydrophobicContact CZ3-CD1 4.23Å; W158-Y193 HydrophobicContact CZ3-CE1 4.21Å; I159-Y193 WeakPolarHBondContact O-CA 3.22Å; D160-Y193 HydrophobicContact CB-CD1 3.89Å; D160-Y193 HydrophobicContact CB-CE1 3.7Å; L189-Y193 WeakPolarHBondContact CA-O 3.49Å; L190-Y193 PolarHBondContact N-O 3.37Å; L190-Y193 PolarHBondContact O-N 2.93Å; Y193-E327 HydrophobicContact CE2-CB 3.94Å; Y193-V328 HydrophobicContact CD1-CG2 3.53Å; Y193-V328 HydrophobicContact CD2-CG2 4.17Å; Y193-V328 HydrophobicContact CE1-CG2 3.65Å; Y193-V328 HydrophobicContact CE2-CG2 4.29Å; Y193-V328 HydrophobicContact CG-CG2 3.8Å
194L94.4Very high92.5Very high0 Ų056.1 Ų56.10%027%0.274CS..EExtended strand (participates in β ladder)trans-98.8120.1170.9-176.575.1000109I149 V152 W158 I159 L161 L182 V187 K188 L189I149-L194 HydrophobicContact CB-CD2 4.16Å; I149-L194 HydrophobicContact CG1-CD2 3.52Å; V152-L194 HydrophobicContact CB-CD2 4.47Å; V152-L194 HydrophobicContact CG2-CD2 4.3Å; W158-L194 CarbonylContact C-O 3.54Å; W158-L194 VanDerWaalsContact CA-O 3.22Å; W158-L194 WeakPolarHBondContact CA-O 3.38Å; I159-L194 HydrophobicContact CG2-CB 3.9Å; I159-L194 HydrophobicContact CG2-CD2 4.35Å; I159-L194 PolarHBondContact N-O 2.83Å; I159-L194 PolarHBondContact O-N 3.04Å; L161-L194 HydrophobicContact CD1-CB 3.91Å; L161-L194 HydrophobicContact CD1-CD2 4.5Å; L161-L194 HydrophobicContact CG-CB 4.07Å; L182-L194 HydrophobicContact CD1-CD1 4.39Å; L182-L194 HydrophobicContact CD2-CD1 3.67Å; V187-L194 HydrophobicContact CB-CD1 3.78Å; V187-L194 HydrophobicContact CB-CG 4.22Å; V187-L194 HydrophobicContact CG2-CD1 3.66Å; V187-L194 HydrophobicContact CG2-CG 4.45Å; K188-L194 WeakPolarHBondContact O-CA 3.4Å; L189-L194 HydrophobicContact CB-CD1 4.45Å
195I95.4Very high92.7Very high0 Ų051.9 Ų51.90%026%0.261CS..EExtended strand (participates in β ladder)trans-123.6132-172.6-59.8158000109.2W158 V187 K188 L190 F199 I200 V328 V332W158-I195 HydrophobicContact CB-CB 4.47Å; W158-I195 HydrophobicContact CB-CG1 3.87Å; V187-I195 CarbonylContact C-O 3.48Å; V187-I195 VanDerWaalsContact CA-O 3.24Å; V187-I195 WeakPolarHBondContact CA-O 3.39Å; K188-I195 PolarHBondContact N-O 2.85Å; K188-I195 PolarHBondContact O-N 2.87Å; L190-I195 HydrophobicContact CB-CD1 4.47Å; L190-I195 HydrophobicContact CD1-CD1 3.51Å; L190-I195 HydrophobicContact CG-CD1 4.07Å; I195-F199 HydrophobicContact CG2-CB 4.25Å; I195-F199 HydrophobicContact CG2-CD1 3.65Å; I195-F199 HydrophobicContact CG2-CE1 4.46Å; I195-F199 HydrophobicContact CG2-CG 4.32Å; I195-I200 HydrophobicContact CG2-CD1 4.13Å; I195-I200 HydrophobicContact CG2-CG1 3.76Å; I195-V328 HydrophobicContact CD1-CG1 4.22Å; I195-V332 HydrophobicContact CD1-CG2 3.81Å
196A96.5Very high92.7Very high2 Ų253.2 Ų53.22%0.01726%0.262CS..EExtended strand (participates in β ladder)trans-67.6139.3174.800000111.8V152 S157 K198 F199 I200V152-A196 HydrophobicContact CG1-CB 3.97Å; S157-A196 WeakPolarHBondContact O-CB 3.3Å; S157-A196 PolarHBondContact O-N 2.92Å; A196-K198 PolarHBondContact O-N 3.35Å; A196-F199 HydrophobicContact CB-CB 4.16Å; A196-F199 WeakPolarHBondContact O-CA 3.46Å; A196-F199 VanDerWaalsContact O-CB 3.27Å; A196-F199 WeakPolarHBondContact O-CB 3.26Å; A196-F199 PolarHBondContact O-N 3.04Å; A196-I200 PolarHBondContact O-N 3.34Å
197D95.7Very high92.6Very high47 Ų4750.2 Ų50.225%0.25124%0.242SC..Hα-helixtrans-57.8-40.6176.8-76.2-33.1000111.7P186 K188 F199 I200 E201P186-D197 VanDerWaalsContact CA-OD2 3.23Å; P186-D197 WeakPolarHBondContact CA-OD2 3.39Å; P186-D197 HydrophobicContact CB-CB 4.47Å; P186-D197 PolarHBondContact O-N 3.01Å; K188-D197 VanDerWaalsContact CE-OD1 3.31Å; K188-D197 WeakPolarHBondContact CE-OD1 3.45Å; K188-D197 WeakPolarHBondContact CG-OD1 3.31Å; D197-F199 PolarHBondContact O-N 2.81Å; D197-I200 WeakPolarHBondContact O-CA 3.38Å; D197-I200 WeakPolarHBondContact O-CB 3.27Å; D197-I200 PolarHBondContact O-N 2.91Å; D197-E201 WeakPolarHBondContact O-CG 3.29Å; D197-E201 PolarHBondContact O-N 2.89Å
198K95.4Very high92.5Very high131 Ų13151.3 Ų51.357%0.5725%0.248SC*.Hα-helixtrans-62.9-26.9175.7-70.4-176.2178.7179.20113.5V156 A196 R202V156-K198 HydrophobicContact CB-CB 4.5Å; V156-K198 HydrophobicContact CG1-CB 3.49Å; V156-K198 VanDerWaalsContact CG1-CB 3.49Å; V156-K198 HydrophobicContact CG2-CB 4.24Å; V156-K198 HydrophobicContact CG2-CD 4.2Å; A196-K198 PolarHBondContact O-N 3.35Å; K198-R202 WeakPolarHBondContact O-CB 3.32Å; K198-R202 PolarHBondContact O-N 3.17Å
199F94.8Very high92.5Very high13 Ų1351.1 Ų51.16%0.05725%0.254CS..Hα-helixtrans-70.8-39.5173.9-179.7-90.8000110.2V156 W158 I195 A196 D197 R202 C203 L320V156-F199 HydrophobicContact CG1-CB 4.27Å; V156-F199 WeakPolarHBondContact O-CD2 3.48Å; W158-F199 AromaticContact CD1-CZ 3.8Å; I195-F199 HydrophobicContact CG2-CB 4.25Å; I195-F199 HydrophobicContact CG2-CD1 3.65Å; I195-F199 HydrophobicContact CG2-CE1 4.46Å; I195-F199 HydrophobicContact CG2-CG 4.32Å; A196-F199 HydrophobicContact CB-CB 4.16Å; A196-F199 WeakPolarHBondContact O-CA 3.46Å; A196-F199 VanDerWaalsContact O-CB 3.27Å; A196-F199 WeakPolarHBondContact O-CB 3.26Å; A196-F199 PolarHBondContact O-N 3.04Å; D197-F199 PolarHBondContact O-N 2.81Å; F199-R202 WeakPolarHBondContact O-CB 3.16Å; F199-R202 PolarHBondContact O-N 3.38Å; F199-C203 PolarHBondContact O-N 3.1Å; F199-C203 PolarHBondContact O-SG 3.38Å; F199-L320 HydrophobicContact CE2-CD2 4.04Å; F199-L320 HydrophobicContact CZ-CD1 4.45Å; F199-L320 HydrophobicContact CZ-CD2 3.68Å
200I94.3Very high92.5Very high12 Ų1250.2 Ų50.26%0.06225%0.247CC..Hα-helixtrans-64.7-45.2174.4-60.1171000110.6K188 I195 A196 D197 R202 C203 E204 V335 L336K188-I200 HydrophobicContact CB-CD1 4.44Å; K188-I200 HydrophobicContact CD-CD1 3.76Å; K188-I200 HydrophobicContact CG-CD1 4.27Å; I195-I200 HydrophobicContact CG2-CD1 4.13Å; I195-I200 HydrophobicContact CG2-CG1 3.76Å; A196-I200 PolarHBondContact O-N 3.34Å; D197-I200 WeakPolarHBondContact O-CA 3.38Å; D197-I200 WeakPolarHBondContact O-CB 3.27Å; D197-I200 PolarHBondContact O-N 2.91Å; I200-R202 VanDerWaalsContact C-N 3.27Å; I200-R202 PolarHBondContact O-N 2.89Å; I200-C203 WeakPolarHBondContact O-CA 3.36Å; I200-C203 WeakPolarHBondContact O-CB 3.36Å; I200-C203 PolarHBondContact O-N 3.12Å; I200-E204 PolarHBondContact O-N 3.23Å; I200-V335 HydrophobicContact CD1-CG1 4.42Å; I200-L336 HydrophobicContact CG2-CD2 3.46Å; I200-L336 VanDerWaalsContact CG2-CD2 3.46Å; I200-L336 HydrophobicContact CG2-CG 4.01Å
201E93.7Very high92.8Very high121 Ų12148.9 Ų48.957%0.56524%0.24SC*.Hα-helixtrans-58.6-39.6175-69.1173.8-175.100112D197 C203 E204 A205D197-E201 WeakPolarHBondContact O-CG 3.29Å; D197-E201 PolarHBondContact O-N 2.89Å; E201-C203 VanDerWaalsContact C-N 3.33Å; E201-E204 WeakPolarHBondContact O-CB 3.48Å; E201-E204 PolarHBondContact O-N 2.91Å; E201-A205 PolarHBondContact O-N 3.49Å; E201-A205 VanDerWaalsContact O-N 3.12Å
202R92.7Very high93.1Very high146 Ų14645.1 Ų45.155%0.55122%0.222SC*.Hα-helixtrans-64.1-39.1174.7-174.8179.3-179.9-179.7-1.7111.8K198 F199 I200 A205 F206K198-R202 WeakPolarHBondContact O-CB 3.32Å; K198-R202 PolarHBondContact O-N 3.17Å; F199-R202 WeakPolarHBondContact O-CB 3.16Å; F199-R202 PolarHBondContact O-N 3.38Å; I200-R202 VanDerWaalsContact C-N 3.27Å; I200-R202 PolarHBondContact O-N 2.89Å; R202-A205 WeakPolarHBondContact O-CB 3.36Å; R202-A205 PolarHBondContact O-N 2.98Å; R202-F206 HydrophobicContact CG-CE2 4.12Å; R202-F206 HydrophobicContact CG-CZ 3.97Å; R202-F206 WeakPolarHBondContact O-CD2 3.5Å; R202-F206 PolarHBondContact O-N 3.43Å
203C93.5Very high93.2Very high0 Ų049.3 Ų49.30%024%0.236CC..Hα-helixtrans-64.1-40.4174.8-67.20000111.7F199 I200 E201 A205 F206 I207 L316 V332 L336F199-C203 PolarHBondContact O-N 3.1Å; F199-C203 PolarHBondContact O-SG 3.38Å; I200-C203 WeakPolarHBondContact O-CA 3.36Å; I200-C203 WeakPolarHBondContact O-CB 3.36Å; I200-C203 PolarHBondContact O-N 3.12Å; E201-C203 VanDerWaalsContact C-N 3.33Å; C203-A205 VanDerWaalsContact C-N 3.3Å; C203-A205 PolarHBondContact O-N 3.22Å; C203-F206 WeakPolarHBondContact O-CB 3.47Å; C203-F206 PolarHBondContact O-N 2.9Å; C203-I207 WeakPolarHBondContact O-CD1 3.47Å; C203-I207 PolarHBondContact O-N 3.28Å; C203-L316 HydrophobicContact CB-CD2 3.69Å; C203-V332 HydrophobicContact CB-CG1 4.09Å; C203-L336 HydrophobicContact CB-CD1 3.83Å
204E92Very high93.1Very high49 Ų4950.8 Ų50.823%0.22924%0.243CC..Hα-helixtrans-59.3-41.2174.5-170.4175.5176.600111.7I200 E201 F206 I207 D208 L336 L340 S343I200-E204 PolarHBondContact O-N 3.23Å; E201-E204 WeakPolarHBondContact O-CB 3.48Å; E201-E204 PolarHBondContact O-N 2.91Å; E204-F206 VanDerWaalsContact C-N 3.26Å; E204-F206 PolarHBondContact O-N 3.23Å; E204-I207 PolarHBondContact O-N 3.46Å; E204-D208 PolarHBondContact O-N 3.39Å; E204-L336 HydrophobicContact CB-CD2 3.98Å; E204-L340 HydrophobicContact CG-CD2 4.19Å; E204-S343 PolarHBondContact OE1-OG 3.37Å
205A92Very high92.8Very high65 Ų6550.8 Ų50.854%0.53724%0.243SC..Hα-helixtrans-61.4-31.6178.500000113.4E201 R202 C203 I207E201-A205 PolarHBondContact O-N 3.49Å; E201-A205 VanDerWaalsContact O-N 3.12Å; R202-A205 WeakPolarHBondContact O-CB 3.36Å; R202-A205 PolarHBondContact O-N 2.98Å; C203-A205 VanDerWaalsContact C-N 3.3Å; C203-A205 PolarHBondContact O-N 3.22Å; A205-I207 VanDerWaalsContact C-N 3.31Å
206F91.8Very high92.4Very high53 Ų5355.3 Ų55.323%0.23226%0.264CS..Hα-helixtrans-68.4-32.4175-62.5-39.8000112.6R202 C203 E204 Q319 L320R202-F206 HydrophobicContact CG-CE2 4.12Å; R202-F206 HydrophobicContact CG-CZ 3.97Å; R202-F206 WeakPolarHBondContact O-CD2 3.5Å; R202-F206 PolarHBondContact O-N 3.43Å; C203-F206 WeakPolarHBondContact O-CB 3.47Å; C203-F206 PolarHBondContact O-N 2.9Å; E204-F206 VanDerWaalsContact C-N 3.26Å; E204-F206 PolarHBondContact O-N 3.23Å; F206-Q319 HydrophobicContact CB-CB 4.2Å; F206-Q319 HydrophobicContact CB-CG 4.11Å; F206-Q319 HydrophobicContact CD1-CB 4.12Å; F206-Q319 HydrophobicContact CD1-CG 4.37Å; F206-Q319 HydrophobicContact CD2-CB 3.79Å; F206-Q319 HydrophobicContact CE1-CB 4.44Å; F206-Q319 HydrophobicContact CE2-CB 4.14Å; F206-Q319 HydrophobicContact CG-CB 3.79Å; F206-Q319 HydrophobicContact CG-CG 4.14Å; F206-Q319 HydrophobicContact CZ-CB 4.44Å; F206-L320 HydrophobicContact CE2-CD2 4.15Å
207I93.5Very high91.8Very high0 Ų057.9 Ų57.90%028%0.28CS..Hα-helixtrans-86.4-21.7-176.4-57.6156.2000111.1C203 E204 A205 T209 Y210 L211 V312 I315 L316 L336 L340C203-I207 WeakPolarHBondContact O-CD1 3.47Å; C203-I207 PolarHBondContact O-N 3.28Å; E204-I207 PolarHBondContact O-N 3.46Å; A205-I207 VanDerWaalsContact C-N 3.31Å; I207-T209 VanDerWaalsContact C-N 3.28Å; I207-T209 PolarHBondContact O-N 3.11Å; I207-T209 VanDerWaalsContact O-N 3.15Å; I207-Y210 HydrophobicContact CG2-CD1 4.22Å; I207-Y210 WeakPolarHBondContact O-CB 3.27Å; I207-Y210 PolarHBondContact O-N 3.22Å; I207-L211 PolarHBondContact O-N 3.05Å; I207-V312 HydrophobicContact CD1-CG1 3.56Å; I207-V312 HydrophobicContact CG1-CG1 4.16Å; I207-V312 HydrophobicContact CG2-CG2 4.34Å; I207-I315 HydrophobicContact CG1-CG2 4.38Å; I207-L316 HydrophobicContact CD1-CD1 4.29Å; I207-L316 HydrophobicContact CD1-CD2 3.88Å; I207-L316 HydrophobicContact CD1-CG 4.09Å; I207-L316 HydrophobicContact CG1-CD2 4.19Å; I207-L316 HydrophobicContact CG1-CG 4.46Å; I207-L336 HydrophobicContact CD1-CD1 3.86Å; I207-L340 HydrophobicContact CB-CD2 4.03Å; I207-L340 HydrophobicContact CD1-CD1 4.09Å; I207-L340 HydrophobicContact CD1-CD2 4.3Å; I207-L340 HydrophobicContact CG2-CD1 4.17Å; I207-L340 HydrophobicContact CG2-CD2 3.68Å
208D91.9Very high91.4Very high36 Ų3655.6 Ų55.619%0.19327%0.268CS..Hα-helixtrans-52.7-41.2-175.3-172.455.4000114E204 L211 K212 Y347E204-D208 PolarHBondContact O-N 3.39Å; D208-L211 PolarHBondContact O-N 3.15Å; D208-K212 WeakPolarHBondContact O-CB 3.39Å; D208-K212 WeakPolarHBondContact O-CG 3.45Å; D208-K212 PolarHBondContact O-N 3.03Å; D208-K212 WeakPolarHBondContact OD2-CE 3.39Å; D208-K212 IonicContact OD2-NZ 3.9Å; D208-K212 PolarHBondContact OD2-NZ 2.91Å; D208-Y347 WeakPolarHBondContact OD1-CE2 3.45Å; D208-Y347 VanDerWaalsContact OD1-CZ 3.28Å; D208-Y347 PolarHBondContact OD1-OH 3.36Å
209T91Very high90.7Very high85 Ų8549.6 Ų49.652%0.52124%0.242SC..Hα-helixtrans-67.4-40178.7-61.10000112.1I207 K213I207-T209 VanDerWaalsContact C-N 3.28Å; I207-T209 PolarHBondContact O-N 3.11Å; I207-T209 VanDerWaalsContact O-N 3.15Å; T209-K213 WeakPolarHBondContact O-CG 3.47Å; T209-K213 PolarHBondContact O-N 3.47Å
210Y92.9Very high90Very high36 Ų3652.9 Ų52.914%0.14126%0.257CS..Hα-helixtrans-66.3-44.5174.9166.1-94.6000110.5I207 K212 K213 K214 V307 L308 D311 V312 I315I207-Y210 HydrophobicContact CG2-CD1 4.22Å; I207-Y210 WeakPolarHBondContact O-CB 3.27Å; I207-Y210 PolarHBondContact O-N 3.22Å; Y210-K212 PolarHBondContact O-N 3.23Å; Y210-K213 PolarHBondContact O-N 3.31Å; Y210-K214 HydrophobicContact CD1-CG 4.36Å; Y210-K214 HydrophobicContact CD2-CG 4.33Å; Y210-K214 HydrophobicContact CE1-CG 3.95Å; Y210-K214 HydrophobicContact CE2-CD 4.29Å; Y210-K214 HydrophobicContact CE2-CG 3.95Å; Y210-K214 VanDerWaalsContact CZ-CE 3.43Å; Y210-K214 PolarHBondContact O-N 2.88Å; Y210-K214 VanDerWaalsContact OH-CE 3.26Å; Y210-K214 WeakPolarHBondContact OH-CE 3.25Å; Y210-V307 HydrophobicContact CE1-CG1 4.27Å; Y210-L308 PolarHBondContact OH-N 3.49Å; Y210-D311 HydrophobicContact CE1-CB 4.39Å; Y210-D311 HydrophobicContact CE2-CB 3.85Å; Y210-D311 WeakPolarHBondContact CE2-OD2 3.4Å; Y210-D311 VanDerWaalsContact OH-CB 3.23Å; Y210-D311 WeakPolarHBondContact OH-CB 3.48Å; Y210-D311 PolarHBondContact OH-OD2 3.29Å; Y210-V312 HydrophobicContact CE1-CG2 4.46Å; Y210-I315 HydrophobicContact CD1-CD1 3.87Å; Y210-I315 HydrophobicContact CD2-CD1 3.64Å; Y210-I315 HydrophobicContact CE1-CD1 4.47Å; Y210-I315 HydrophobicContact CE2-CD1 4.24Å; Y210-I315 HydrophobicContact CG-CD1 3.41Å; Y210-I315 VanDerWaalsContact CG-CD1 3.41Å
211L92.5Very high89.3Confident1 Ų158.7 Ų58.71%0.00528%0.283CS..Hα-helixtrans-61.8-44.4-178.9-162.967.9000112I207 D208 K213 K214 A215 F303 V307 L340 F344 Y347I207-L211 PolarHBondContact O-N 3.05Å; D208-L211 PolarHBondContact O-N 3.15Å; L211-K213 PolarHBondContact O-N 3.11Å; L211-K214 PolarHBondContact O-N 2.89Å; L211-A215 VanDerWaalsContact O-CB 3.32Å; L211-A215 WeakPolarHBondContact O-CB 3.45Å; L211-A215 PolarHBondContact O-N 3.02Å; L211-F303 HydrophobicContact CD1-CE2 4.3Å; L211-V307 HydrophobicContact CD1-CG1 4.49Å; L211-V307 HydrophobicContact CD1-CG2 3.79Å; L211-L340 HydrophobicContact CD2-CD2 4.18Å; L211-L340 WeakPolarHBondContact CD2-O 3.32Å; L211-F344 HydrophobicContact CD1-CB 4.03Å; L211-F344 HydrophobicContact CD1-CD2 3.81Å; L211-F344 HydrophobicContact CD1-CG 4.39Å; L211-F344 HydrophobicContact CD2-CB 4.36Å; L211-F344 HydrophobicContact CG-CB 4.27Å; L211-F344 HydrophobicContact CG-CD2 4.23Å; L211-Y347 HydrophobicContact CD2-CD2 4.23Å; L211-Y347 HydrophobicContact CD2-CE2 4.17Å; L211-Y347 HydrophobicContact CG-CD2 4.39Å
212K91Very high88.6Confident82 Ų8255.8 Ų55.836%0.35727%0.27SS..Hα-helixtrans-56.8-45.7174.5-78.3170.7177.3159.80112.4D208 Y210 A215 Q216 Y347D208-K212 WeakPolarHBondContact O-CB 3.39Å; D208-K212 WeakPolarHBondContact O-CG 3.45Å; D208-K212 PolarHBondContact O-N 3.03Å; D208-K212 WeakPolarHBondContact OD2-CE 3.39Å; D208-K212 IonicContact OD2-NZ 3.9Å; D208-K212 PolarHBondContact OD2-NZ 2.91Å; Y210-K212 PolarHBondContact O-N 3.23Å; K212-A215 PolarHBondContact O-N 3.26Å; K212-Q216 WeakPolarHBondContact O-CG 3.5Å; K212-Q216 PolarHBondContact O-N 3.03Å; K212-Y347 HydrophobicContact CD-CE1 4.23Å; K212-Y347 WeakPolarHBondContact CE-OH 3.42Å; K212-Y347 HydrophobicContact CG-CD1 4.02Å; K212-Y347 HydrophobicContact CG-CD2 4.12Å; K212-Y347 HydrophobicContact CG-CE1 3.76Å; K212-Y347 HydrophobicContact CG-CE2 3.83Å; K212-Y347 HydrophobicContact CG-CG 4.24Å
213K90.4Very high87.6Confident131 Ų13149.7 Ų49.757%0.5725%0.248SC*.Hα-helixtrans-64.6-44.2178.9-71.6175.9-179.5177.60111.5T209 Y210 L211 Q216 T217T209-K213 WeakPolarHBondContact O-CG 3.47Å; T209-K213 PolarHBondContact O-N 3.47Å; Y210-K213 PolarHBondContact O-N 3.31Å; L211-K213 PolarHBondContact O-N 3.11Å; K213-Q216 PolarHBondContact O-N 3.26Å; K213-T217 WeakPolarHBondContact O-CB 3.42Å; K213-T217 PolarHBondContact O-N 3.26Å; K213-T217 PolarHBondContact O-OG1 2.93Å
214K90Very high86.4Confident56 Ų5656.9 Ų56.924%0.24328%0.281CS..Hα-helixtrans-65.7-39.1177.1-68.8-62.7-166.3154.10112Y210 L211 T217 A218 Y306 V307 D311 F344Y210-K214 HydrophobicContact CD1-CG 4.36Å; Y210-K214 HydrophobicContact CD2-CG 4.33Å; Y210-K214 HydrophobicContact CE1-CG 3.95Å; Y210-K214 HydrophobicContact CE2-CD 4.29Å; Y210-K214 HydrophobicContact CE2-CG 3.95Å; Y210-K214 VanDerWaalsContact CZ-CE 3.43Å; Y210-K214 PolarHBondContact O-N 2.88Å; Y210-K214 VanDerWaalsContact OH-CE 3.26Å; Y210-K214 WeakPolarHBondContact OH-CE 3.25Å; L211-K214 PolarHBondContact O-N 2.89Å; K214-T217 PolarHBondContact O-N 3.45Å; K214-A218 WeakPolarHBondContact O-CB 3.2Å; K214-A218 PolarHBondContact O-N 3.47Å; K214-Y306 VanDerWaalsContact CD-O 3.26Å; K214-Y306 WeakPolarHBondContact CD-O 3.48Å; K214-Y306 WeakPolarHBondContact CE-O 3.39Å; K214-Y306 PolarHBondContact NZ-O 2.99Å; K214-V307 HydrophobicContact CB-CG2 4.38Å; K214-D311 IonicContact NZ-OD2 3.77Å; K214-F344 HydrophobicContact CB-CE2 4.32Å
215A87.6Confident85.4Confident1 Ų156.4 Ų56.41%0.00829%0.285CS..Hα-helixtrans-63.3-44175.800000112.2L211 K212 A218 F219 F344 I348L211-A215 VanDerWaalsContact O-CB 3.32Å; L211-A215 WeakPolarHBondContact O-CB 3.45Å; L211-A215 PolarHBondContact O-N 3.02Å; K212-A215 PolarHBondContact O-N 3.26Å; A215-A218 PolarHBondContact O-N 3.15Å; A215-F219 WeakPolarHBondContact O-CB 3.46Å; A215-F219 PolarHBondContact O-N 3.45Å; A215-F344 VanDerWaalsContact CA-CE2 3.46Å; A215-F344 HydrophobicContact CB-CD2 3.85Å; A215-F344 HydrophobicContact CB-CE2 3.82Å; A215-I348 HydrophobicContact CB-CG1 4.12Å
216Q86.7Confident84.2Confident95 Ų9554.1 Ų54.144%0.44426%0.264SS..Hα-helixtrans-61.6-44.1173.5-72.7171.7-12.800111.7K212 K213 F219 H220 L351K212-Q216 WeakPolarHBondContact O-CG 3.5Å; K212-Q216 PolarHBondContact O-N 3.03Å; K213-Q216 PolarHBondContact O-N 3.26Å; Q216-F219 PolarHBondContact O-N 3.47Å; Q216-H220 PolarHBondContact O-CD2 2.88Å; Q216-H220 PolarHBondContact O-N 3.03Å; Q216-L351 HydrophobicContact CB-CD1 4.5Å; Q216-L351 HydrophobicContact CG-CD1 3.96Å
217T85.3Confident83Confident55 Ų5554.7 Ų54.734%0.33727%0.269SS..Hα-helixtrans-61.9-45.8177.7-53.50000111K213 K214 H220 H221 Y306K213-T217 WeakPolarHBondContact O-CB 3.42Å; K213-T217 PolarHBondContact O-N 3.26Å; K213-T217 PolarHBondContact O-OG1 2.93Å; K214-T217 PolarHBondContact O-N 3.45Å; T217-H220 PolarHBondContact O-N 2.93Å; T217-H221 VanDerWaalsContact CG2-CE1 3.45Å; T217-H221 WeakPolarHBondContact CG2-CE1 3.41Å; T217-H221 WeakPolarHBondContact CG2-ND1 3.43Å; T217-H221 PolarHBondContact O-N 3.49Å; T217-H221 VanDerWaalsContact O-N 3.07Å; T217-H221 PolarHBondContact O-ND1 3.26Å; T217-Y306 HydrophobicContact CG2-CD1 4.35Å; T217-Y306 HydrophobicContact CG2-CE1 4.03Å
218A85.7Confident81.4Confident0 Ų059 Ų590%030%0.299CS..Hα-helixtrans-61.1-45.6176.300000111.5K214 A215 H220 H221 E222 Y306 F344 I348K214-A218 WeakPolarHBondContact O-CB 3.2Å; K214-A218 PolarHBondContact O-N 3.47Å; A215-A218 PolarHBondContact O-N 3.15Å; A218-H220 VanDerWaalsContact C-N 3.34Å; A218-H220 PolarHBondContact O-N 3.17Å; A218-H221 PolarHBondContact O-N 3.49Å; A218-E222 WeakPolarHBondContact O-CB 3.46Å; A218-E222 PolarHBondContact O-N 3.05Å; A218-Y306 HydrophobicContact CB-CD1 3.99Å; A218-Y306 HydrophobicContact CB-CD2 3.62Å; A218-Y306 HydrophobicContact CB-CE1 4.21Å; A218-Y306 HydrophobicContact CB-CE2 3.84Å; A218-Y306 HydrophobicContact CB-CG 3.7Å; A218-F344 HydrophobicContact CB-CZ 3.86Å; A218-I348 HydrophobicContact CB-CD1 4.3Å
219F82.3Confident79.4Confident5 Ų558.7 Ų58.72%0.02230%0.3CS..Hα-helixtrans-59.8-41.9177.7179.7-101.4000112.6A215 Q216 H223 I226 L351 V352A215-F219 WeakPolarHBondContact O-CB 3.46Å; A215-F219 PolarHBondContact O-N 3.45Å; Q216-F219 PolarHBondContact O-N 3.47Å; F219-H223 AromaticContact CE1-CD2 3.63Å; F219-H223 AromaticContact CZ-CD2 3.54Å; F219-H223 AromaticContact CZ-NE2 3.96Å; F219-H223 WeakPolarHBondContact O-CA 3.29Å; F219-H223 VanDerWaalsContact O-CB 3.24Å; F219-H223 WeakPolarHBondContact O-CB 3.32Å; F219-H223 PolarHBondContact O-N 3Å; F219-I226 HydrophobicContact CB-CD1 4.47Å; F219-I226 HydrophobicContact CD2-CD1 3.97Å; F219-I226 HydrophobicContact CD2-CG2 4.36Å; F219-I226 HydrophobicContact CE2-CG2 4.35Å; F219-L351 HydrophobicContact CB-CD1 3.84Å; F219-L351 HydrophobicContact CD1-CB 4.05Å; F219-L351 HydrophobicContact CD1-CD1 4.34Å; F219-L351 HydrophobicContact CD2-CB 4.01Å; F219-L351 HydrophobicContact CE1-CB 4.24Å; F219-L351 HydrophobicContact CE2-CB 4.22Å; F219-L351 HydrophobicContact CG-CB 3.92Å; F219-L351 HydrophobicContact CG-CD1 4.08Å; F219-L351 HydrophobicContact CZ-CB 4.32Å; F219-L351 WeakPolarHBondContact CZ-O 3.45Å; F219-V352 HydrophobicContact CD2-CG2 4.26Å; F219-V352 HydrophobicContact CE2-CG2 3.82Å
220H78.7Confident77Confident82 Ų8260 Ų6038%0.3831%0.31SS..Hα-helixtrans-71.2-38.4-179.9-71.9-50.6000113.6Q216 T217 A218 F360Q216-H220 PolarHBondContact O-CD2 2.88Å; Q216-H220 PolarHBondContact O-N 3.03Å; T217-H220 PolarHBondContact O-N 2.93Å; A218-H220 VanDerWaalsContact C-N 3.34Å; A218-H220 PolarHBondContact O-N 3.17Å; H220-F360 AromaticContact CE1-CD2 3.45Å; H220-F360 VanDerWaalsContact CE1-CD2 3.45Å; H220-F360 WeakPolarHBondContact CE1-CD2 3.37Å; H220-F360 AromaticContact CE1-CE2 3.41Å; H220-F360 VanDerWaalsContact CE1-CE2 3.41Å; H220-F360 WeakPolarHBondContact CE1-CE2 3.46Å; H220-F360 AromaticContact ND1-CD2 3.4Å; H220-F360 WeakPolarHBondContact ND1-CD2 3.41Å; H220-F360 AromaticContact ND1-CE2 2.93Å; H220-F360 WeakPolarHBondContact ND1-CE2 3.47Å; H220-F360 AromaticContact ND1-CZ 3.73Å
221H80.3Confident74.8Confident133 Ų13363 Ų6362%0.61633%0.332SS*.Hα-helixtrans-75.3-39-179.9-74.288.5000112T217 A218 Y306T217-H221 VanDerWaalsContact CG2-CE1 3.45Å; T217-H221 WeakPolarHBondContact CG2-CE1 3.41Å; T217-H221 WeakPolarHBondContact CG2-ND1 3.43Å; T217-H221 PolarHBondContact O-N 3.49Å; T217-H221 VanDerWaalsContact O-N 3.07Å; T217-H221 PolarHBondContact O-ND1 3.26Å; A218-H221 PolarHBondContact O-N 3.49Å; H221-Y306 WeakPolarHBondContact CB-OH 3.18Å
222E78.7Confident72.5Confident61 Ų6169.4 Ų69.429%0.28536%0.362SS..SBendtrans-106.819.1-173.5-62-77.8175.700111.7A218 H224 A225 I226 L302 Y306A218-E222 WeakPolarHBondContact O-CB 3.46Å; A218-E222 PolarHBondContact O-N 3.05Å; E222-H224 VanDerWaalsContact C-N 3.26Å; E222-H224 PolarHBondContact O-N 3.05Å; E222-H224 VanDerWaalsContact O-N 3.15Å; E222-A225 PolarHBondContact O-N 3.18Å; E222-I226 HydrophobicContact CB-CD1 4.18Å; E222-I226 HydrophobicContact CB-CG1 4.44Å; E222-I226 WeakPolarHBondContact O-CG1 3.28Å; E222-I226 PolarHBondContact O-N 3.48Å; E222-L302 HydrophobicContact CB-CD2 3.94Å; E222-L302 HydrophobicContact CG-CD2 3.57Å; E222-Y306 HydrophobicContact CG-CE2 4.36Å
223H71.9Confident70Confident18 Ų1874.6 Ų74.68%0.08339%0.387CS..Hα-helixtrans-48.3-45.4-175.4-176.4-100000113F219 L227 F360F219-H223 AromaticContact CE1-CD2 3.63Å; F219-H223 AromaticContact CZ-CD2 3.54Å; F219-H223 AromaticContact CZ-NE2 3.96Å; F219-H223 WeakPolarHBondContact O-CA 3.29Å; F219-H223 VanDerWaalsContact O-CB 3.24Å; F219-H223 WeakPolarHBondContact O-CB 3.32Å; F219-H223 PolarHBondContact O-N 3Å; H223-L227 WeakPolarHBondContact CE1-CD1 3.35Å; H223-L227 VanDerWaalsContact NE2-CD1 3.25Å; H223-L227 WeakPolarHBondContact NE2-CD1 3.48Å; H223-L227 WeakPolarHBondContact O-CB 3.2Å; H223-L227 WeakPolarHBondContact O-CG 3.34Å; H223-L227 PolarHBondContact O-N 2.94Å; H223-F360 AromaticContact CD2-CD1 3.65Å; H223-F360 AromaticContact CD2-CE1 3.67Å; H223-F360 AromaticContact CE1-CD1 3.53Å; H223-F360 AromaticContact CE1-CE1 3.71Å; H223-F360 AromaticContact CG-CE1 3.84Å; H223-F360 AromaticContact ND1-CE1 3.88Å; H223-F360 AromaticContact NE2-CD1 3.17Å; H223-F360 WeakPolarHBondContact NE2-CD1 3.27Å; H223-F360 AromaticContact NE2-CE1 3.59Å; H223-F360 AromaticContact NE2-CG 3.94Å
224H68.8Low67.2Low150 Ų15076.8 Ų76.869%0.69440%0.4SS*.Hα-helixtrans-63.8-48.1178.5-78.2-73.2000111.6E222 I226 L227 S228E222-H224 VanDerWaalsContact C-N 3.26Å; E222-H224 PolarHBondContact O-N 3.05Å; E222-H224 VanDerWaalsContact O-N 3.15Å; H224-I226 VanDerWaalsContact C-N 3.33Å; H224-I226 PolarHBondContact O-N 3.22Å; H224-L227 PolarHBondContact O-N 3.24Å; H224-S228 WeakPolarHBondContact O-CB 3.3Å; H224-S228 PolarHBondContact O-N 2.96Å; H224-S228 PolarHBondContact O-OG 3.4Å
225A70.7Confident64.5Low39 Ų3979.6 Ų79.632%0.32243%0.426SS..Hα-helixtrans-62.3-41.1-179.600000111.9E222 S228E222-A225 PolarHBondContact O-N 3.18Å; A225-S228 PolarHBondContact O-OG 3.26Å
226I65.9Low61.9Low17 Ų1785.7 Ų85.79%0.08746%0.463CS..Hα-helixtrans-66.3-46.3-179.8-63.3166000110.9F219 E222 H224 S229 L302 I348 V352F219-I226 HydrophobicContact CB-CD1 4.47Å; F219-I226 HydrophobicContact CD2-CD1 3.97Å; F219-I226 HydrophobicContact CD2-CG2 4.36Å; F219-I226 HydrophobicContact CE2-CG2 4.35Å; E222-I226 HydrophobicContact CB-CD1 4.18Å; E222-I226 HydrophobicContact CB-CG1 4.44Å; E222-I226 WeakPolarHBondContact O-CG1 3.28Å; E222-I226 PolarHBondContact O-N 3.48Å; H224-I226 VanDerWaalsContact C-N 3.33Å; H224-I226 PolarHBondContact O-N 3.22Å; I226-S229 PolarHBondContact O-OG 3.41Å; I226-L302 HydrophobicContact CD1-CD1 3.87Å; I226-L302 HydrophobicContact CG1-CD1 3.99Å; I226-I348 HydrophobicContact CD1-CG2 4.27Å; I226-I348 HydrophobicContact CG2-CG2 4.32Å; I226-V352 HydrophobicContact CG2-CG2 3.38Å
227L68.1Low59.2Low65 Ų6589 Ų8934%0.3448%0.479SS..Hα-helixtrans-80-27-178.6-71.3173000114.2H223 H224 S229 V352H223-L227 WeakPolarHBondContact CE1-CD1 3.35Å; H223-L227 VanDerWaalsContact NE2-CD1 3.25Å; H223-L227 WeakPolarHBondContact NE2-CD1 3.48Å; H223-L227 WeakPolarHBondContact O-CB 3.2Å; H223-L227 WeakPolarHBondContact O-CG 3.34Å; H223-L227 PolarHBondContact O-N 2.94Å; H224-L227 PolarHBondContact O-N 3.24Å; L227-S229 PolarHBondContact O-N 3.21Å; L227-V352 HydrophobicContact CD2-CG1 4.11Å
228S59.9Low56.8Low91 Ų9191.9 Ų91.964%0.63650%0.496SS*.THydrogen-bonded Turntrans-74.6-3.217763.30000113.4H224 A225H224-S228 WeakPolarHBondContact O-CB 3.3Å; H224-S228 PolarHBondContact O-N 2.96Å; H224-S228 PolarHBondContact O-OG 3.4Å; A225-S228 PolarHBondContact O-OG 3.26Å
229S49.2Very low54.1Low30 Ų3099.2 Ų99.221%0.2154%0.535CS..SBendtrans-59.6128.5171.5600000109.6I226 L227 T231 S295I226-S229 PolarHBondContact O-OG 3.41Å; L227-S229 PolarHBondContact O-N 3.21Å; S229-T231 PolarHBondContact O-N 3.5Å; S229-S295 VanDerWaalsContact CB-OG 3.26Å; S229-S295 WeakPolarHBondContact CB-OG 3.49Å; S229-S295 PolarHBondContact OG-OG 3.23Å
230P41.7Very low51.8Low112 Ų112104.6 Ų104.673%0.72757%0.569SS**G310 helixtrans-71.115-155.724.3-33.7000116.7Q232P230-Q232 VanDerWaalsContact C-N 3.31Å; P230-Q232 PolarHBondContact O-N 3.47Å
231T44.7Very low49.6Very low99 Ų99106.6 Ų106.661%0.60759%0.589SS**G310 helixtrans-81.5-2.4-174.5-28.20000114.2S229S229-T231 PolarHBondContact O-N 3.5Å
232Q44.6Very low47.2Very low136 Ų136109.9 Ų109.964%0.63660%0.601SS**G310 helixtrans-128.114.2-174.2-69-167.43.800117P230 Q234P230-Q232 VanDerWaalsContact C-N 3.31Å; P230-Q232 PolarHBondContact O-N 3.47Å; Q232-Q234 PolarHBondContact O-N 3.43Å
233Q38.3Very low45.1Very low190 Ų190115.9 Ų115.989%0.88863%0.629SS**  trans-80.962.4166.1-71.3-173.8-3.200111.4
234Q32.5Very low43.2Very low178 Ų178119.3 Ų119.383%0.83266%0.661SS**  trans-95.891.9146.5-83.4-177.22.500106.1Q232 V236Q232-Q234 PolarHBondContact O-N 3.43Å; Q234-V236 PolarHBondContact O-N 3.24Å
235S32.4Very low41.7Very low114 Ų114118 Ų11880%0.79766%0.663SS**  trans-56.5100.2168.449.80000108.9E237S235-E237 VanDerWaalsContact C-N 3.28Å; S235-E237 PolarHBondContact O-N 2.97Å
236V34.5Very low39.8Very low129 Ų129122.5 Ų122.578%0.78269%0.687SS**  trans-7293165.5179.40000106.2Q234 V238Q234-V236 PolarHBondContact O-N 3.24Å; V236-V238 PolarHBondContact O-N 2.93Å
237E29.1Very low38.2Very low164 Ų164129.2 Ų129.277%0.76672%0.722SS**  trans-58.1108.7171-165.8172.2-171.900108.2S235 N239S235-E237 VanDerWaalsContact C-N 3.28Å; S235-E237 PolarHBondContact O-N 2.97Å; E237-N239 PolarHBondContact O-N 2.98Å
238V34.9Very low36.5Very low116 Ų116130.9 Ų130.970%0.70374%0.739SS**  trans-68.9101.7178175.70000107.5V236 T240V236-V238 PolarHBondContact O-N 2.93Å; V238-T240 VanDerWaalsContact C-N 3.33Å; V238-T240 HydrophobicContact CG1-CG2 4.36Å; V238-T240 PolarHBondContact O-N 2.9Å
239N30.1Very low35Very low154 Ų154136.7 Ų136.782%0.82475%0.753SS**  trans-59.390.2172.1-71.6-71.7000110.1E237E237-N239 PolarHBondContact O-N 2.98Å
240T32.6Very low34Very low118 Ų118138.8 Ų138.872%0.72478%0.78SS**  trans-80.6132.2165.5490000109.4V238 K242V238-T240 VanDerWaalsContact C-N 3.33Å; V238-T240 HydrophobicContact CG1-CG2 4.36Å; V238-T240 PolarHBondContact O-N 2.9Å; T240-K242 PolarHBondContact O-N 3.36Å; T240-K242 VanDerWaalsContact O-N 3.16Å
241P33.5Very low33.4Very low124 Ų124137.2 Ų137.281%0.80578%0.784SS**  trans-74.3110.9-168.827.9-33.4000111.9Q243P241-Q243 PolarHBondContact O-N 3.47Å
242K30.2Very low32.7Very low202 Ų202141.1 Ų141.188%0.87879%0.792SS**  trans-6.798.2153.9-62.8171.1-179.7173.10115.3T240T240-K242 PolarHBondContact O-N 3.36Å; T240-K242 VanDerWaalsContact O-N 3.16Å
243Q34.6Very low32.1Very low187 Ų187138 Ų13887%0.87480%0.798SS**  trans-87.1102.5147.3-86.9-177.8-1.600107.9P241 V245P241-Q243 PolarHBondContact O-N 3.47Å; Q243-V245 PolarHBondContact O-N 3.36Å
244A32.2Very low31.9Very low90 Ų90137.8 Ų137.874%0.74479%0.794SS**  trans-7291.817600000109.6
245V37.2Very low32Very low122 Ų122133.4 Ų133.474%0.73980%0.796SS**  trans-91.3100.6159.6-179.30000107Q243 L247Q243-V245 PolarHBondContact O-N 3.36Å; V245-L247 VanDerWaalsContact C-N 3.34Å; V245-L247 PolarHBondContact O-N 2.91Å
246T29.9Very low32.2Very low135 Ų135132.6 Ų132.683%0.82880%0.797SS**  trans-63.188175.4-37.20000109.2
247L32Very low32.3Very low157 Ų157138.2 Ų138.282%0.82280%0.804SS**  trans-114.7113.7167.9-136.176.6000110.8V245V245-L247 VanDerWaalsContact C-N 3.34Å; V245-L247 PolarHBondContact O-N 2.91Å
248S31.8Very low33.4Very low101 Ų101139.7 Ų139.771%0.70681%0.811SS**  trans-38.1131.2174.852.70000116
249K28.7Very low33.9Very low212 Ų212141.8 Ų141.892%0.92282%0.816SS**  60.877.4121.7-151.8176.6-172179.30116.2
250G28.4Very low34.9Very low75 Ų75144 Ų14477%0.77382%0.818SS**  trans-130.587.2158.800000109.5F252G250-F252 PolarHBondContact O-N 3.47Å
251G29.1Very low36.1Very low78 Ų78145 Ų14580%0.80483%0.825SS**  trans-73112.1171.200000109.5
252F30.8Very low36.7Very low181 Ų181148.7 Ų148.779%0.79483%0.828SS**  trans-122.8101.7163.9-117.2-91.8000107.9G250 F254G250-F252 PolarHBondContact O-N 3.47Å; F252-F254 HydrophobicContact CD1-CD2 4.42Å; F252-F254 AromaticContact CD1-CE2 3.67Å; F252-F254 HydrophobicContact CD1-CE2 3.67Å; F252-F254 HydrophobicContact CD1-CZ 4.25Å; F252-F254 HydrophobicContact CE1-CE2 4.26Å; F252-F254 HydrophobicContact CE1-CZ 4.43Å
253G32Very low37.4Very low72 Ų72146.3 Ų146.374%0.74283%0.825SS**  trans-74.8121.9175.300000110.5
254F34.3Very low38Very low185 Ų185143.2 Ų143.281%0.81182%0.819SS**  trans-12578.1155.1-75.1-76.9000107.7F252F252-F254 HydrophobicContact CD1-CD2 4.42Å; F252-F254 AromaticContact CD1-CE2 3.67Å; F252-F254 HydrophobicContact CD1-CE2 3.67Å; F252-F254 HydrophobicContact CD1-CZ 4.25Å; F252-F254 HydrophobicContact CE1-CE2 4.26Å; F252-F254 HydrophobicContact CE1-CZ 4.43Å
255G32.9Very low38.6Very low85 Ų85147.7 Ų147.788%0.87682%0.821SS**  trans-86.895.7162.700000108.8
256A38.5Very low38.9Very low98 Ų98151.9 Ų151.981%0.8183%0.83SS**  trans-110.897.5164.200000108.1
257R35.6Very low39.1Very low247 Ų247153.9 Ų153.993%0.93283%0.827SS**  trans-79.2113.8168.5-91.3176.1168.4174.5-2.8107.8
258E52.3Low39.3Very low195 Ų195156.4 Ų156.491%0.91183%0.827SS**PPolyproline II helixtrans-103.7150.5163.8-82-170159.800112.5
259I45.8Very low39.5Very low159 Ų159159.3 Ų159.382%0.81583%0.834SS**PPolyproline II helixtrans-95.1139.5-147.6-69.7159.1000111.7T261I259-T261 PolarHBondContact O-N 3.19Å
260K51.4Low39.7Very low200 Ų200153.9 Ų153.987%0.8782%0.821SS**PPolyproline II helixtrans-66.6116.5173.3-67.3-179.8173.6-176.40111.3
261T57.7Low39.9Very low140 Ų140155.9 Ų155.986%0.85982%0.823SS**PPolyproline II helixtrans-74.5126.9171.6480000111.3I259I259-T261 PolarHBondContact O-N 3.19Å
262K44.4Very low40.2Very low202 Ų202161.6 Ų161.688%0.87883%0.826SS**PPolyproline II helixtrans-74.6131.7-179.9-75.4178.1175.1175.50111.6
263N46.7Very low40.1Very low152 Ų152164.1 Ų164.181%0.81383%0.83SS**PPolyproline II helixtrans-63.4124.8173.2-171.84.1000111.6
264V46.8Very low39.9Very low122 Ų122170.7 Ų170.774%0.73984%0.838SS**  trans-91.6108.8175.8175.50000109.2K266V264-K266 PolarHBondContact O-N 3.41Å
265K45Very low39.7Very low184 Ų184168.4 Ų168.480%0.884%0.839SS**  trans-66.2107.6170.5-80.8178.2172.2178.10110.1K267K265-K267 PolarHBondContact O-N 3.03Å
266K43.2Very low39.3Very low210 Ų210170.1 Ų170.191%0.91384%0.838SS**  trans-72106.2163.7-70.8-165.8178-177.90109.2V264V264-K266 PolarHBondContact O-N 3.41Å
267K33.9Very low38.7Very low176 Ų176170.5 Ų170.577%0.76584%0.835SS**  trans-82.4156.6164.4-75.8-176.3171.5-176.70109.4K265K265-K267 PolarHBondContact O-N 3.03Å
268Y35.3Very low38.2Very low211 Ų211164.9 Ų164.983%0.82783%0.833SS**  trans94.397.6171.6-69.8-92.2000117
269N36Very low37.1Very low162 Ų162160.5 Ų160.587%0.86682%0.824SS**  -162.1113.8101.4-1395.1000111.3
270P32.7Very low36.3Very low97 Ų97157.5 Ų157.563%0.6382%0.823SS**  trans-95.5156.417335-28.3000111.8
271S32.9Very low35.3Very low118 Ų118152.2 Ų152.283%0.82582%0.817SS**  trans92101.4169.4-62.50000117.4
272K34.9Very low33.9Very low198 Ų198152.8 Ų152.886%0.86182%0.815SS**  -161107.6121.7-105.5171.3-171.7-177.40111.2
273R30Very low33.1Very low233 Ų233150.2 Ų150.288%0.87981%0.81SS**  trans47113.1138.5-67.9-179.4-176.4170.10.5119.9T275R273-T275 PolarHBondContact O-N 3.43Å
274K26.5Very low32.4Very low211 Ų211148.3 Ų148.392%0.91781%0.806SS**  trans-15.6118.8138.4-75.5175.1168178.90114.6
275T30.1Very low31.7Very low137 Ų137151.2 Ų151.284%0.8481%0.812SS**  trans-148.4129137.347.80000109.1R273R273-T275 PolarHBondContact O-N 3.43Å
276S24.5Very low30.9Very low120 Ų120149 Ų14984%0.83981%0.809SS**  trans-61.3127.8174.446.20000113.3
277S27.8Very low30.2Very low107 Ų107145.8 Ų145.875%0.74880%0.801SS**  trans-172.3113.3138.353.40000108.5S279S277-S279 PolarHBondContact O-N 2.83Å; S277-S279 VanDerWaalsContact O-N 3.09Å
278S24.9Very low29.8Very low128 Ų128146.1 Ų146.190%0.89580%0.803SS**  trans-58.699.4169.143.70000110.9
279S28.1Very low29.6Very low104 Ų104141 Ų14173%0.72780%0.798SS**  trans-113.7102.5158.3-650000106.7S277 A281S277-S279 PolarHBondContact O-N 2.83Å; S277-S279 VanDerWaalsContact O-N 3.09Å; S279-A281 PolarHBondContact O-N 3.33Å
280A29.2Very low29.4Very low96 Ų96138.8 Ų138.879%0.79380%0.796SS**  trans-65.779.2165.300000108N282A280-N282 PolarHBondContact O-N 2.95Å
281A30.5Very low29.5Very low89 Ų89135.9 Ų135.974%0.73678%0.783SS**  trans-79.4101.716300000105.8S279 D283S279-A281 PolarHBondContact O-N 3.33Å; A281-D283 PolarHBondContact O-N 2.83Å
282N28.3Very low29.7Very low152 Ų152135.8 Ų135.881%0.81377%0.772SS**  trans-57.9103.7166.3-67.6-45.9000107.1A280 P284A280-N282 PolarHBondContact O-N 2.95Å; N282-P284 WeakPolarHBondContact O-CD 3.5Å
283D28Very low30.2Very low147 Ų147128.3 Ų128.379%0.78675%0.752SS**  trans-58.5115.3170.5-128.6-19.8000106.5A281 E285A281-D283 PolarHBondContact O-N 2.83Å; D283-E285 PolarHBondContact O-N 3.19Å
284P32.4Very low31.4Very low113 Ų113122.8 Ų122.873%0.73474%0.739SS**  trans-65.6115172.827.4-28.4000105.9N282 N286N282-P284 WeakPolarHBondContact O-CD 3.5Å; P284-N286 PolarHBondContact O-N 2.94Å
285E31.5Very low32.9Very low182 Ų182113.8 Ų113.885%0.8570%0.703SS**  trans-45.4126.5-178.9-68.5-159.7147.100110.6D283 N287D283-E285 PolarHBondContact O-N 3.19Å; E285-N287 PolarHBondContact O-N 3.05Å
286N27.3Very low34.7Very low139 Ų139112 Ų11274%0.74369%0.685SS**  trans-42.179.9172.6-169.919.2000111.9P284 F288P284-N286 PolarHBondContact O-N 2.94Å; N286-F288 PolarHBondContact O-N 3.3Å; N286-F288 VanDerWaalsContact O-N 3.08Å
287N29Very low37Very low141 Ų141108.9 Ų108.975%0.75466%0.664SS**  trans-75102.8175.8-118.4-26.2000107.2E285 S289E285-N287 PolarHBondContact O-N 3.05Å; N287-S289 VanDerWaalsContact C-N 3.29Å; N287-S289 WeakPolarHBondContact O-CB 3.2Å; N287-S289 PolarHBondContact O-N 3.02Å; N287-S289 PolarHBondContact O-OG 3.35Å
288F26.5Very low39.2Very low183 Ų183107.7 Ų107.780%0.80365%0.649SS**  trans-45.888170.4-83.5-101.7000111.2N286N286-F288 PolarHBondContact O-N 3.3Å; N286-F288 VanDerWaalsContact O-N 3.08Å
289S31.2Very low41.6Very low103 Ų103102.7 Ų102.772%0.7261%0.611SS**  trans-115.357.6-176.7-49.90000109.4N287N287-S289 VanDerWaalsContact C-N 3.29Å; N287-S289 WeakPolarHBondContact O-CB 3.2Å; N287-S289 PolarHBondContact O-N 3.02Å; N287-S289 PolarHBondContact O-OG 3.35Å
290S32.1Very low44Very low117 Ų117102.4 Ų102.482%0.81860%0.597SS**SBendtrans-11636.5-174.267.80000113.8
291G33.6Very low46.6Very low35 Ų35101.8 Ų101.836%0.36158%0.58SS.*SBendtrans-162.9-24.5174.800000117.4
292I37.6Very low49.1Very low116 Ų11698 Ų9860%0.59555%0.548SS*.Hα-helixtrans-84.2-23.1178.6-61.8172.2000111.9D294 S295 Q296I292-D294 VanDerWaalsContact C-N 3.35Å; I292-D294 PolarHBondContact O-N 3.32Å; I292-S295 PolarHBondContact O-N 3.34Å; I292-Q296 HydrophobicContact CG2-CG 4.31Å; I292-Q296 PolarHBondContact O-N 3.21Å
293G44.9Very low51.9Low42 Ų4291.1 Ų91.143%0.43351%0.511SS..Hα-helixtrans-58.6-42.9-177.700000113.2Q296 S297G293-Q296 PolarHBondContact O-N 3.31Å; G293-S297 PolarHBondContact O-N 3.07Å; G293-S297 PolarHBondContact O-OG 3.05Å
294D54.6Low54.7Low116 Ų11687.5 Ų87.562%0.6250%0.501SS*.Hα-helixtrans-67.3-40.1-175.5-67.7-10.4000112.3I292 S297 L298I292-D294 VanDerWaalsContact C-N 3.35Å; I292-D294 PolarHBondContact O-N 3.32Å; D294-S297 WeakPolarHBondContact CA-OG 3.36Å; D294-S297 PolarHBondContact O-N 2.8Å; D294-S297 PolarHBondContact O-OG 3.37Å; D294-L298 WeakPolarHBondContact O-CB 3.2Å; D294-L298 WeakPolarHBondContact O-CD1 3.48Å; D294-L298 VanDerWaalsContact O-CG 3.25Å; D294-L298 WeakPolarHBondContact O-CG 3.46Å; D294-L298 PolarHBondContact O-N 3.28Å
295S59.8Low57.3Low23 Ų2389.9 Ų89.916%0.16150%0.496CS..Hα-helixtrans-65.2-40.9174.9-59.90000111.1S229 I292 L298 I299S229-S295 VanDerWaalsContact CB-OG 3.26Å; S229-S295 WeakPolarHBondContact CB-OG 3.49Å; S229-S295 PolarHBondContact OG-OG 3.23Å; I292-S295 PolarHBondContact O-N 3.34Å; S295-L298 PolarHBondContact O-N 2.98Å; S295-I299 WeakPolarHBondContact O-CD1 3.33Å; S295-I299 WeakPolarHBondContact O-CG1 3.48Å; S295-I299 PolarHBondContact O-N 2.79Å
296Q66.2Low59.9Low98 Ų9883.1 Ų83.146%0.45846%0.463SS..Hα-helixtrans-67.9-41.4178.4-72.6-172.3-10.300111.9I292 G293 I299 K300I292-Q296 HydrophobicContact CG2-CG 4.31Å; I292-Q296 PolarHBondContact O-N 3.21Å; G293-Q296 PolarHBondContact O-N 3.31Å; Q296-I299 PolarHBondContact O-N 3.31Å; Q296-K300 VanDerWaalsContact O-CG 3.32Å; Q296-K300 WeakPolarHBondContact O-CG 3.26Å; Q296-K300 PolarHBondContact O-N 3.13Å
297S73.3Confident62.8Low55 Ų5576.8 Ų76.839%0.38543%0.429SS..Hα-helixtrans-62.3-42.5175.553.20000111.9G293 D294 I299 K300 D301G293-S297 PolarHBondContact O-N 3.07Å; G293-S297 PolarHBondContact O-OG 3.05Å; D294-S297 WeakPolarHBondContact CA-OG 3.36Å; D294-S297 PolarHBondContact O-N 2.8Å; D294-S297 PolarHBondContact O-OG 3.37Å; S297-I299 VanDerWaalsContact C-N 3.32Å; S297-I299 PolarHBondContact O-N 2.97Å; S297-K300 WeakPolarHBondContact O-CB 3.46Å; S297-K300 PolarHBondContact O-N 2.88Å; S297-D301 PolarHBondContact O-N 3.22Å
298L74.5Confident65.7Low83 Ų8374.2 Ų74.244%0.43542%0.415SS..Hα-helixtrans-59.4-43174.7-74.3165.8000111.7D294 S295 K300 D301 L302D294-L298 WeakPolarHBondContact O-CB 3.2Å; D294-L298 WeakPolarHBondContact O-CD1 3.48Å; D294-L298 VanDerWaalsContact O-CG 3.25Å; D294-L298 WeakPolarHBondContact O-CG 3.46Å; D294-L298 PolarHBondContact O-N 3.28Å; S295-L298 PolarHBondContact O-N 2.98Å; L298-K300 VanDerWaalsContact C-N 3.33Å; L298-K300 PolarHBondContact O-N 3.5Å; L298-D301 WeakPolarHBondContact O-CB 3.38Å; L298-D301 PolarHBondContact O-N 3.19Å; L298-L302 WeakPolarHBondContact O-CG 3.47Å; L298-L302 PolarHBondContact O-N 3.05Å
299I74.1Confident68.8Low22 Ų2267.1 Ų67.111%0.11338%0.384CS..Hα-helixtrans-70.1-31.8179.1-59.3161.3000111.6S295 Q296 S297 D301 L302 F303 F344 I345 I348S295-I299 WeakPolarHBondContact O-CD1 3.33Å; S295-I299 WeakPolarHBondContact O-CG1 3.48Å; S295-I299 PolarHBondContact O-N 2.79Å; Q296-I299 PolarHBondContact O-N 3.31Å; S297-I299 VanDerWaalsContact C-N 3.32Å; S297-I299 PolarHBondContact O-N 2.97Å; I299-D301 VanDerWaalsContact C-N 3.33Å; I299-L302 WeakPolarHBondContact O-CB 3.42Å; I299-L302 PolarHBondContact O-N 3.2Å; I299-F303 PolarHBondContact O-N 3.25Å; I299-F344 HydrophobicContact CG2-CD1 4.22Å; I299-F344 HydrophobicContact CG2-CE1 4.35Å; I299-I345 HydrophobicContact CB-CG1 4.19Å; I299-I345 HydrophobicContact CD1-CG2 4.45Å; I299-I345 HydrophobicContact CG2-CB 4.15Å; I299-I345 HydrophobicContact CG2-CG1 3.48Å; I299-I345 VanDerWaalsContact CG2-CG1 3.48Å; I299-I345 HydrophobicContact CG2-CG2 4.47Å; I299-I348 HydrophobicContact CD1-CG2 4.48Å; I299-I348 HydrophobicContact CG2-CD1 3.93Å
300K79.2Confident71.6Confident98 Ų9867.6 Ų67.643%0.42638%0.379SS..Hα-helixtrans-63.3-40.2171.2-69.6-175.6179.4-175.50111.5Q296 S297 L298 L302 F303 A304 Q341 I345Q296-K300 VanDerWaalsContact O-CG 3.32Å; Q296-K300 WeakPolarHBondContact O-CG 3.26Å; Q296-K300 PolarHBondContact O-N 3.13Å; S297-K300 WeakPolarHBondContact O-CB 3.46Å; S297-K300 PolarHBondContact O-N 2.88Å; L298-K300 VanDerWaalsContact C-N 3.33Å; L298-K300 PolarHBondContact O-N 3.5Å; K300-L302 VanDerWaalsContact C-N 3.31Å; K300-L302 PolarHBondContact O-N 3.24Å; K300-F303 WeakPolarHBondContact O-CB 3.34Å; K300-F303 PolarHBondContact O-N 2.95Å; K300-A304 PolarHBondContact O-N 3.31Å; K300-Q341 VanDerWaalsContact CG-NE2 3.34Å; K300-I345 HydrophobicContact CG-CD1 4.45Å
301D83.1Confident74.5Confident83 Ų8364.7 Ų64.744%0.44435%0.354SS..Hα-helixtrans-65-36.1174-67.3-14.7000111.7S297 L298 I299 A304 R305S297-D301 PolarHBondContact O-N 3.22Å; L298-D301 WeakPolarHBondContact O-CB 3.38Å; L298-D301 PolarHBondContact O-N 3.19Å; I299-D301 VanDerWaalsContact C-N 3.33Å; D301-A304 PolarHBondContact O-N 2.92Å; D301-R305 WeakPolarHBondContact O-CG 3.39Å; D301-R305 PolarHBondContact O-N 3.5Å; D301-R305 VanDerWaalsContact O-N 3.13Å
302L83.5Confident77.2Confident10 Ų1063 Ų635%0.05234%0.337CS..Hα-helixtrans-64.1-39.8173.4-67.1176.4000112E222 I226 L298 I299 K300 A304 R305 Y306 F344 I348E222-L302 HydrophobicContact CB-CD2 3.94Å; E222-L302 HydrophobicContact CG-CD2 3.57Å; I226-L302 HydrophobicContact CD1-CD1 3.87Å; I226-L302 HydrophobicContact CG1-CD1 3.99Å; L298-L302 WeakPolarHBondContact O-CG 3.47Å; L298-L302 PolarHBondContact O-N 3.05Å; I299-L302 WeakPolarHBondContact O-CB 3.42Å; I299-L302 PolarHBondContact O-N 3.2Å; K300-L302 VanDerWaalsContact C-N 3.31Å; K300-L302 PolarHBondContact O-N 3.24Å; L302-A304 PolarHBondContact O-N 3.45Å; L302-R305 PolarHBondContact O-N 2.86Å; L302-Y306 HydrophobicContact CD2-CD2 4.34Å; L302-Y306 HydrophobicContact CD2-CE2 4.02Å; L302-Y306 WeakPolarHBondContact O-CB 3.34Å; L302-Y306 WeakPolarHBondContact O-CD2 3.37Å; L302-Y306 PolarHBondContact O-N 2.86Å; L302-F344 HydrophobicContact CB-CE1 4.01Å; L302-F344 HydrophobicContact CB-CZ 4.46Å; L302-I348 HydrophobicContact CD1-CD1 4.24Å
303F87.9Confident79.9Confident7 Ų760.7 Ų60.73%0.03132%0.321CS..Hα-helixtrans-57.4-51.5175178.6-95.4000110.4L211 I299 K300 R305 Y306 V307 E337 L340 Q341 F344L211-F303 HydrophobicContact CD1-CE2 4.3Å; I299-F303 PolarHBondContact O-N 3.25Å; K300-F303 WeakPolarHBondContact O-CB 3.34Å; K300-F303 PolarHBondContact O-N 2.95Å; F303-R305 PolarHBondContact O-N 3.42Å; F303-Y306 PolarHBondContact O-N 3.38Å; F303-V307 HydrophobicContact CD2-CB 3.93Å; F303-V307 HydrophobicContact CD2-CG1 4.35Å; F303-V307 HydrophobicContact CD2-CG2 3.69Å; F303-V307 HydrophobicContact CE2-CB 3.81Å; F303-V307 HydrophobicContact CE2-CG1 3.7Å; F303-V307 HydrophobicContact CE2-CG2 3.8Å; F303-V307 HydrophobicContact CG-CB 4.38Å; F303-V307 HydrophobicContact CG-CG2 4.44Å; F303-V307 HydrophobicContact CZ-CB 4.14Å; F303-V307 HydrophobicContact CZ-CG1 3.79Å; F303-V307 WeakPolarHBondContact O-CB 3.41Å; F303-V307 PolarHBondContact O-N 2.9Å; F303-E337 HydrophobicContact CE1-CG 4.12Å; F303-E337 HydrophobicContact CZ-CG 4.47Å; F303-L340 HydrophobicContact CE2-CB 4.07Å; F303-L340 HydrophobicContact CZ-CB 4.14Å; F303-Q341 HydrophobicContact CB-CG 4.34Å; F303-Q341 HydrophobicContact CD1-CB 4.26Å; F303-Q341 HydrophobicContact CD1-CG 4.2Å; F303-Q341 HydrophobicContact CD2-CB 4.23Å; F303-Q341 HydrophobicContact CD2-CG 4.4Å; F303-Q341 HydrophobicContact CE1-CB 4.23Å; F303-Q341 HydrophobicContact CE2-CB 4.18Å; F303-Q341 HydrophobicContact CG-CB 4.25Å; F303-Q341 HydrophobicContact CG-CG 4.06Å; F303-Q341 HydrophobicContact CZ-CB 4.18Å; F303-F344 HydrophobicContact CB-CD1 3.9Å; F303-F344 HydrophobicContact CB-CE1 4.1Å; F303-F344 HydrophobicContact CD2-CB 3.74Å; F303-F344 HydrophobicContact CD2-CD1 4.04Å; F303-F344 HydrophobicContact CD2-CD2 4.34Å; F303-F344 AromaticContact CD2-CG 3.81Å; F303-F344 HydrophobicContact CD2-CG 3.81Å; F303-F344 HydrophobicContact CE2-CB 4.3Å; F303-F344 HydrophobicContact CG-CD1 4.49Å
304A86.4Confident82.2Confident72 Ų7262.4 Ų62.460%0.59533%0.326SS*.Hα-helixtrans-61.7-27.6179.800000114K300 D301 L302K300-A304 PolarHBondContact O-N 3.31Å; D301-A304 PolarHBondContact O-N 2.92Å; L302-A304 PolarHBondContact O-N 3.45Å
305R86.1Confident84Confident162 Ų16258.4 Ų58.461%0.61130%0.304SS*.Hα-helixtrans-84-36.1178.5-71177.7-167.11796.5113.8D301 L302 F303D301-R305 WeakPolarHBondContact O-CG 3.39Å; D301-R305 PolarHBondContact O-N 3.5Å; D301-R305 VanDerWaalsContact O-N 3.13Å; L302-R305 PolarHBondContact O-N 2.86Å; F303-R305 PolarHBondContact O-N 3.42Å
306Y86.5Confident85.6Confident40 Ų4057.3 Ų57.316%0.15730%0.297CS..Hα-helixtrans-102.3-27.6-170.7-77.8-90.4000113.8K214 T217 A218 H221 E222 L302 F303K214-Y306 VanDerWaalsContact CD-O 3.26Å; K214-Y306 WeakPolarHBondContact CD-O 3.48Å; K214-Y306 WeakPolarHBondContact CE-O 3.39Å; K214-Y306 PolarHBondContact NZ-O 2.99Å; T217-Y306 HydrophobicContact CG2-CD1 4.35Å; T217-Y306 HydrophobicContact CG2-CE1 4.03Å; A218-Y306 HydrophobicContact CB-CD1 3.99Å; A218-Y306 HydrophobicContact CB-CD2 3.62Å; A218-Y306 HydrophobicContact CB-CE1 4.21Å; A218-Y306 HydrophobicContact CB-CE2 3.84Å; A218-Y306 HydrophobicContact CB-CG 3.7Å; H221-Y306 WeakPolarHBondContact CB-OH 3.18Å; E222-Y306 HydrophobicContact CG-CE2 4.36Å; L302-Y306 HydrophobicContact CD2-CD2 4.34Å; L302-Y306 HydrophobicContact CD2-CE2 4.02Å; L302-Y306 WeakPolarHBondContact O-CB 3.34Å; L302-Y306 WeakPolarHBondContact O-CD2 3.37Å; L302-Y306 PolarHBondContact O-N 2.86Å; F303-Y306 PolarHBondContact O-N 3.38Å
307V89.6Confident86.8Confident6 Ų656.3 Ų56.34%0.03630%0.301CS..  trans-103.4112.1179.6-179.60000108.1Y210 L211 K214 F303 V312 F344Y210-V307 HydrophobicContact CE1-CG1 4.27Å; L211-V307 HydrophobicContact CD1-CG1 4.49Å; L211-V307 HydrophobicContact CD1-CG2 3.79Å; K214-V307 HydrophobicContact CB-CG2 4.38Å; F303-V307 HydrophobicContact CD2-CB 3.93Å; F303-V307 HydrophobicContact CD2-CG1 4.35Å; F303-V307 HydrophobicContact CD2-CG2 3.69Å; F303-V307 HydrophobicContact CE2-CB 3.81Å; F303-V307 HydrophobicContact CE2-CG1 3.7Å; F303-V307 HydrophobicContact CE2-CG2 3.8Å; F303-V307 HydrophobicContact CG-CB 4.38Å; F303-V307 HydrophobicContact CG-CG2 4.44Å; F303-V307 HydrophobicContact CZ-CB 4.14Å; F303-V307 HydrophobicContact CZ-CG1 3.79Å; F303-V307 WeakPolarHBondContact O-CB 3.41Å; F303-V307 PolarHBondContact O-N 2.9Å; V307-V312 HydrophobicContact CG1-CG2 4.19Å; V307-F344 HydrophobicContact CG2-CD2 3.9Å; V307-F344 HydrophobicContact CG2-CE2 3.89Å
308L89.9Confident87.6Confident88 Ų8857.5 Ų57.546%0.46131%0.309SS..  trans-96.8126.7176.3-64.9173.7000108.9Y210 D310 D311 V312Y210-L308 PolarHBondContact OH-N 3.49Å; L308-D310 PolarHBondContact O-N 2.93Å; L308-D311 HydrophobicContact CB-CB 4.33Å; L308-D311 WeakPolarHBondContact O-CB 3.33Å; L308-D311 PolarHBondContact O-N 2.96Å; L308-V312 PolarHBondContact O-N 3.35Å
309M89.7Confident88.4Confident33 Ų3358.7 Ų58.716%0.16331%0.313CS..Hα-helixtrans-63-27178.9-65.6-54.8-69.800112.4V312 R313 A333 E337M309-V312 WeakPolarHBondContact O-CB 3.28Å; M309-V312 PolarHBondContact O-N 2.93Å; M309-V312 HydrophobicContact SD-CG2 4.44Å; M309-R313 WeakPolarHBondContact O-CG 3.38Å; M309-R313 PolarHBondContact O-N 3.21Å; M309-A333 HydrophobicContact CE-CB 4.18Å; M309-A333 VanDerWaalsContact CE-O 3.27Å; M309-A333 WeakPolarHBondContact CE-O 3.04Å; M309-E337 HydrophobicContact CE-CB 3.96Å; M309-E337 HydrophobicContact CE-CG 4.21Å; M309-E337 HydrophobicContact SD-CB 4.45Å; M309-E337 HydrophobicContact SD-CG 4.09Å
310D91.5Very high89.2Confident114 Ų11458.6 Ų58.661%0.6131%0.312SS*.Hα-helixtrans-68.1-35174-62.3-25.6000112.6L308 V312 R313 S314L308-D310 PolarHBondContact O-N 2.93Å; D310-V312 VanDerWaalsContact C-N 3.32Å; D310-R313 PolarHBondContact O-N 2.73Å; D310-R313 IonicContact OD1-NH1 3.52Å; D310-R313 PolarHBondContact OD1-NH1 3.1Å; D310-S314 WeakPolarHBondContact O-CB 3.47Å; D310-S314 PolarHBondContact O-N 3.28Å
311D91.7Very high89.5Confident55 Ų5557.7 Ų57.729%0.29432%0.316SS..Hα-helixtrans-65.5-40.7171.5-70.4-12000109.9Y210 K214 L308 S314 I315Y210-D311 HydrophobicContact CE1-CB 4.39Å; Y210-D311 HydrophobicContact CE2-CB 3.85Å; Y210-D311 WeakPolarHBondContact CE2-OD2 3.4Å; Y210-D311 VanDerWaalsContact OH-CB 3.23Å; Y210-D311 WeakPolarHBondContact OH-CB 3.48Å; Y210-D311 PolarHBondContact OH-OD2 3.29Å; K214-D311 IonicContact NZ-OD2 3.77Å; L308-D311 HydrophobicContact CB-CB 4.33Å; L308-D311 WeakPolarHBondContact O-CB 3.33Å; L308-D311 PolarHBondContact O-N 2.96Å; D311-S314 PolarHBondContact O-N 2.85Å; D311-I315 WeakPolarHBondContact O-CB 3.38Å; D311-I315 WeakPolarHBondContact O-CD1 3.33Å; D311-I315 WeakPolarHBondContact O-CG1 3.29Å; D311-I315 PolarHBondContact O-N 3.4Å
312V92.1Very high89.4Confident0 Ų060 Ų600%034%0.339CS..Hα-helixtrans-61.4-48.7177.6175.60000110.6I207 Y210 V307 L308 M309 D310 S314 I315 L316 A333 L340I207-V312 HydrophobicContact CD1-CG1 3.56Å; I207-V312 HydrophobicContact CG1-CG1 4.16Å; I207-V312 HydrophobicContact CG2-CG2 4.34Å; Y210-V312 HydrophobicContact CE1-CG2 4.46Å; V307-V312 HydrophobicContact CG1-CG2 4.19Å; L308-V312 PolarHBondContact O-N 3.35Å; M309-V312 WeakPolarHBondContact O-CB 3.28Å; M309-V312 PolarHBondContact O-N 2.93Å; M309-V312 HydrophobicContact SD-CG2 4.44Å; D310-V312 VanDerWaalsContact C-N 3.32Å; V312-S314 VanDerWaalsContact C-N 3.33Å; V312-S314 PolarHBondContact O-N 3.24Å; V312-I315 PolarHBondContact O-N 3Å; V312-L316 HydrophobicContact CG1-CD1 4.27Å; V312-L316 WeakPolarHBondContact O-CG 3.41Å; V312-L316 PolarHBondContact O-N 3.04Å; V312-A333 HydrophobicContact CG1-CB 4.47Å; V312-L340 HydrophobicContact CG1-CD1 4.14Å; V312-L340 HydrophobicContact CG2-CD1 4.35Å
313R93.5Very high89.5Confident67 Ų6764.7 Ų64.725%0.25336%0.364SS..Hα-helixtrans-59.1-43.4175-70.3171.1179.7122.49111.7M309 D310 L316 S317 I329 D330 A333 D334M309-R313 WeakPolarHBondContact O-CG 3.38Å; M309-R313 PolarHBondContact O-N 3.21Å; D310-R313 PolarHBondContact O-N 2.73Å; D310-R313 IonicContact OD1-NH1 3.52Å; D310-R313 PolarHBondContact OD1-NH1 3.1Å; R313-L316 PolarHBondContact O-N 3.04Å; R313-S317 WeakPolarHBondContact O-CB 3.09Å; R313-S317 PolarHBondContact O-N 3.01Å; R313-I329 HydrophobicContact CB-CG2 4.45Å; R313-D330 WeakPolarHBondContact CD-OD1 3.49Å; R313-D330 IonicContact CZ-OD1 3.86Å; R313-D330 IonicContact NE-OD1 2.65Å; R313-D330 PolarHBondContact NE-OD1 2.93Å; R313-A333 HydrophobicContact CG-CB 4.05Å; R313-D334 IonicContact NH2-OD1 3.38Å; R313-D334 PolarHBondContact NH2-OD1 3.46Å
314S92.3Very high89.7Confident78 Ų7865.1 Ų65.155%0.54537%0.367SS..Hα-helixtrans-62.7-43177.2-177.90000112.3D310 D311 V312 S317 S318D310-S314 WeakPolarHBondContact O-CB 3.47Å; D310-S314 PolarHBondContact O-N 3.28Å; D311-S314 PolarHBondContact O-N 2.85Å; V312-S314 VanDerWaalsContact C-N 3.33Å; V312-S314 PolarHBondContact O-N 3.24Å; S314-S317 PolarHBondContact O-N 3.2Å; S314-S318 WeakPolarHBondContact O-CB 3.48Å; S314-S318 PolarHBondContact O-N 3.42Å; S314-S318 PolarHBondContact O-OG 3.32Å
315I92.7Very high89.9Confident32 Ų3263.3 Ų63.316%0.16435%0.35CS..Hα-helixtrans-61.7-49.7175.5-68.7160.6000109.8I207 Y210 D311 V312 S317 S318 Q319I207-I315 HydrophobicContact CG1-CG2 4.38Å; Y210-I315 HydrophobicContact CD1-CD1 3.87Å; Y210-I315 HydrophobicContact CD2-CD1 3.64Å; Y210-I315 HydrophobicContact CE1-CD1 4.47Å; Y210-I315 HydrophobicContact CE2-CD1 4.24Å; Y210-I315 HydrophobicContact CG-CD1 3.41Å; Y210-I315 VanDerWaalsContact CG-CD1 3.41Å; D311-I315 WeakPolarHBondContact O-CB 3.38Å; D311-I315 WeakPolarHBondContact O-CD1 3.33Å; D311-I315 WeakPolarHBondContact O-CG1 3.29Å; D311-I315 PolarHBondContact O-N 3.4Å; V312-I315 PolarHBondContact O-N 3Å; I315-S317 PolarHBondContact O-N 3.46Å; I315-S318 PolarHBondContact O-N 3.19Å; I315-S318 VanDerWaalsContact O-N 3.1Å; I315-S318 PolarHBondContact O-OG 2.89Å; I315-Q319 HydrophobicContact CG2-CG 4.22Å; I315-Q319 VanDerWaalsContact O-CG 3.29Å; I315-Q319 WeakPolarHBondContact O-CG 3.47Å; I315-Q319 PolarHBondContact O-N 2.51Å
316L92.9Very high90.1Very high0 Ų059.1 Ų59.10%035%0.345CS..Hα-helixtrans-59.6-46.9179-70.7178.3000111.7C203 I207 V312 R313 S318 Q319 L320 I329 V332 A333C203-L316 HydrophobicContact CB-CD2 3.69Å; I207-L316 HydrophobicContact CD1-CD1 4.29Å; I207-L316 HydrophobicContact CD1-CD2 3.88Å; I207-L316 HydrophobicContact CD1-CG 4.09Å; I207-L316 HydrophobicContact CG1-CD2 4.19Å; I207-L316 HydrophobicContact CG1-CG 4.46Å; V312-L316 HydrophobicContact CG1-CD1 4.27Å; V312-L316 WeakPolarHBondContact O-CG 3.41Å; V312-L316 PolarHBondContact O-N 3.04Å; R313-L316 PolarHBondContact O-N 3.04Å; L316-S318 PolarHBondContact O-N 3.39Å; L316-Q319 PolarHBondContact O-N 3.27Å; L316-L320 HydrophobicContact CB-CD1 4.2Å; L316-L320 VanDerWaalsContact O-CB 3.28Å; L316-L320 WeakPolarHBondContact O-CB 3.47Å; L316-L320 WeakPolarHBondContact O-CG 3.14Å; L316-L320 PolarHBondContact O-N 3.49Å; L316-I329 HydrophobicContact CB-CG2 3.91Å; L316-I329 HydrophobicContact CD1-CG2 4.31Å; L316-V332 HydrophobicContact CD1-CG1 4.47Å; L316-A333 HydrophobicContact CD1-CB 4.35Å
317S91.3Very high90.3Very high78 Ų7861.7 Ų61.755%0.54536%0.358SS..Hα-helixtrans-60.3-29.3176.2179.10000113.3R313 S314 I315R313-S317 WeakPolarHBondContact O-CB 3.09Å; R313-S317 PolarHBondContact O-N 3.01Å; S314-S317 PolarHBondContact O-N 3.2Å; I315-S317 PolarHBondContact O-N 3.46Å
318S90.9Very high90.4Very high80 Ų8061.4 Ų61.456%0.55936%0.357SS*.Hα-helixtrans-82.8-27.3177.675.90000114.2S314 I315 L316S314-S318 WeakPolarHBondContact O-CB 3.48Å; S314-S318 PolarHBondContact O-N 3.42Å; S314-S318 PolarHBondContact O-OG 3.32Å; I315-S318 PolarHBondContact O-N 3.19Å; I315-S318 VanDerWaalsContact O-N 3.1Å; I315-S318 PolarHBondContact O-OG 2.89Å; L316-S318 PolarHBondContact O-N 3.39Å
319Q91.3Very high90.5Very high108 Ų10858 Ų5851%0.50534%0.339SS..Hα-helixtrans-99-27.2-173.9-64-62.6-41.800112.9F206 I315 L316F206-Q319 HydrophobicContact CB-CB 4.2Å; F206-Q319 HydrophobicContact CB-CG 4.11Å; F206-Q319 HydrophobicContact CD1-CB 4.12Å; F206-Q319 HydrophobicContact CD1-CG 4.37Å; F206-Q319 HydrophobicContact CD2-CB 3.79Å; F206-Q319 HydrophobicContact CE1-CB 4.44Å; F206-Q319 HydrophobicContact CE2-CB 4.14Å; F206-Q319 HydrophobicContact CG-CB 3.79Å; F206-Q319 HydrophobicContact CG-CG 4.14Å; F206-Q319 HydrophobicContact CZ-CB 4.44Å; I315-Q319 HydrophobicContact CG2-CG 4.22Å; I315-Q319 VanDerWaalsContact O-CG 3.29Å; I315-Q319 WeakPolarHBondContact O-CG 3.47Å; I315-Q319 PolarHBondContact O-N 2.51Å; L316-Q319 PolarHBondContact O-N 3.27Å
320L90.5Very high90.7Very high19 Ų1959.5 Ų59.510%0.09935%0.347CS..SBendtrans-81.3153.9175.1-69.8168.7000110.8F199 F206 L316 V324 I329F199-L320 HydrophobicContact CE2-CD2 4.04Å; F199-L320 HydrophobicContact CZ-CD1 4.45Å; F199-L320 HydrophobicContact CZ-CD2 3.68Å; F206-L320 HydrophobicContact CE2-CD2 4.15Å; L316-L320 HydrophobicContact CB-CD1 4.2Å; L316-L320 VanDerWaalsContact O-CB 3.28Å; L316-L320 WeakPolarHBondContact O-CB 3.47Å; L316-L320 WeakPolarHBondContact O-CG 3.14Å; L316-L320 PolarHBondContact O-N 3.49Å; L320-V324 HydrophobicContact CB-CG2 4.13Å; L320-V324 HydrophobicContact CD1-CG1 4.5Å; L320-I329 HydrophobicContact CD1-CG1 4.33Å
321P85.5Confident90.7Very high79 Ų7955.4 Ų55.451%0.51333%0.325SS..  trans-67.7158.7175.774.6000111.5D323 V324P321-D323 WeakPolarHBondContact CB-OD1 3.38Å; P321-D323 WeakPolarHBondContact CG-OD1 3.47Å; P321-D323 PolarHBondContact O-N 3.12Å; P321-V324 PolarHBondContact O-N 2.81Å
322S82.3Confident90.7Very high133 Ų13352.9 Ų52.993%0.9331%0.311SS*.THydrogen-bonded Turntrans-70.7-0.9-173.663.30000114.7
323D86Confident90.8Very high108 Ų10852.9 Ų52.958%0.57831%0.311SS*.THydrogen-bonded Turntrans-84.7-14.9177.561.2-19.5000112.8W158 P321 P325W158-D323 WeakPolarHBondContact CZ2-O 3.39Å; P321-D323 WeakPolarHBondContact CB-OD1 3.38Å; P321-D323 WeakPolarHBondContact CG-OD1 3.47Å; P321-D323 PolarHBondContact O-N 3.12Å; D323-P325 WeakPolarHBondContact O-CD 3.38Å
324V90.7Very high90.7Very high15 Ų1554 Ų549%0.09132%0.322CS..SBendtrans-77.3121.2179.6-170.70000110.6L320 P321 V328 I329L320-V324 HydrophobicContact CB-CG2 4.13Å; L320-V324 HydrophobicContact CD1-CG1 4.5Å; P321-V324 PolarHBondContact O-N 2.81Å; V324-V328 HydrophobicContact CG1-CB 3.91Å; V324-V328 HydrophobicContact CG1-CG1 3.91Å; V324-I329 HydrophobicContact CG1-CG1 4.01Å
325P91.2Very high90.7Very high35 Ų3552.1 Ų52.123%0.22731%0.307CS..  trans-62.9150.7175.4-21.331.6000112.4W158 D323 E327 V328 I329W158-P325 HydrophobicContact CH2-CG 3.62Å; W158-P325 HydrophobicContact CZ2-CG 4.26Å; W158-P325 HydrophobicContact CZ3-CG 4.05Å; D323-P325 WeakPolarHBondContact O-CD 3.38Å; P325-E327 VanDerWaalsContact CB-OE2 3.26Å; P325-E327 WeakPolarHBondContact CB-OE2 3.43Å; P325-E327 PolarHBondContact O-N 3.42Å; P325-V328 HydrophobicContact CB-CG2 4.25Å; P325-V328 HydrophobicContact CG-CG2 4.15Å; P325-V328 PolarHBondContact O-N 3.05Å; P325-V328 VanDerWaalsContact O-N 3.15Å; P325-I329 PolarHBondContact O-N 3.43Å
326S89.9Confident90.7Very high73 Ų7350.6 Ų50.651%0.5130%0.3SS..Hα-helixtrans-57.4-36.2174.734.50000112.5V328 I329 D330S326-V328 VanDerWaalsContact C-N 3.3Å; S326-V328 PolarHBondContact O-N 3.29Å; S326-I329 WeakPolarHBondContact O-CB 3.12Å; S326-I329 PolarHBondContact O-N 2.82Å; S326-I329 VanDerWaalsContact O-N 3.11Å; S326-D330 PolarHBondContact O-N 2.98Å
327E90.4Very high90.6Very high94 Ų9454.9 Ų54.944%0.43932%0.32SS..Hα-helixtrans-61.5-39.8179.4-62.980179.700111.2Y193 P325 Q331Y193-E327 HydrophobicContact CE2-CB 3.94Å; P325-E327 VanDerWaalsContact CB-OE2 3.26Å; P325-E327 WeakPolarHBondContact CB-OE2 3.43Å; P325-E327 PolarHBondContact O-N 3.42Å; E327-Q331 WeakPolarHBondContact O-CB 3.4Å; E327-Q331 WeakPolarHBondContact O-CG 3.4Å; E327-Q331 PolarHBondContact O-N 3.39Å
328V91.5Very high90.5Very high1 Ų156.2 Ų56.21%0.00632%0.32CS..Hα-helixtrans-68.1-40.1176.2178.70000110.2W158 Y193 I195 V324 P325 S326 V332W158-V328 HydrophobicContact CD2-CG1 4.47Å; W158-V328 HydrophobicContact CD2-CG2 4.31Å; W158-V328 HydrophobicContact CE3-CG2 3.96Å; W158-V328 HydrophobicContact CG-CG1 4.32Å; W158-V328 HydrophobicContact CZ3-CG2 4.25Å; Y193-V328 HydrophobicContact CD1-CG2 3.53Å; Y193-V328 HydrophobicContact CD2-CG2 4.17Å; Y193-V328 HydrophobicContact CE1-CG2 3.65Å; Y193-V328 HydrophobicContact CE2-CG2 4.29Å; Y193-V328 HydrophobicContact CG-CG2 3.8Å; I195-V328 HydrophobicContact CD1-CG1 4.22Å; V324-V328 HydrophobicContact CG1-CB 3.91Å; V324-V328 HydrophobicContact CG1-CG1 3.91Å; P325-V328 HydrophobicContact CB-CG2 4.25Å; P325-V328 HydrophobicContact CG-CG2 4.15Å; P325-V328 PolarHBondContact O-N 3.05Å; P325-V328 VanDerWaalsContact O-N 3.15Å; S326-V328 VanDerWaalsContact C-N 3.3Å; S326-V328 PolarHBondContact O-N 3.29Å; V328-V332 HydrophobicContact CG1-CG2 4.17Å; V328-V332 VanDerWaalsContact O-CB 3.29Å; V328-V332 WeakPolarHBondContact O-CB 3.38Å; V328-V332 WeakPolarHBondContact O-CG2 3.26Å; V328-V332 PolarHBondContact O-N 3.39Å
329I93.1Very high90.5Very high16 Ų1654.7 Ų54.78%0.08231%0.307CS..Hα-helixtrans-63.6-45.4178.3-62.8171.3000110.6R313 L316 L320 V324 P325 S326 V332 A333R313-I329 HydrophobicContact CB-CG2 4.45Å; L316-I329 HydrophobicContact CB-CG2 3.91Å; L316-I329 HydrophobicContact CD1-CG2 4.31Å; L320-I329 HydrophobicContact CD1-CG1 4.33Å; V324-I329 HydrophobicContact CG1-CG1 4.01Å; P325-I329 PolarHBondContact O-N 3.43Å; S326-I329 WeakPolarHBondContact O-CB 3.12Å; S326-I329 PolarHBondContact O-N 2.82Å; S326-I329 VanDerWaalsContact O-N 3.11Å; I329-V332 PolarHBondContact O-N 2.6Å; I329-A333 VanDerWaalsContact O-CB 3.28Å; I329-A333 WeakPolarHBondContact O-CB 3.02Å; I329-A333 PolarHBondContact O-N 2.91Å
330D92.7Very high90.6Very high64 Ų6449.6 Ų49.634%0.34228%0.284SS..Hα-helixtrans-62.2-48.9178.5-74.9-33.7000111.3R313 S326 V332 A333 D334R313-D330 WeakPolarHBondContact CD-OD1 3.49Å; R313-D330 IonicContact CZ-OD1 3.86Å; R313-D330 IonicContact NE-OD1 2.65Å; R313-D330 PolarHBondContact NE-OD1 2.93Å; S326-D330 PolarHBondContact O-N 2.98Å; D330-V332 PolarHBondContact O-N 2.98Å; D330-A333 PolarHBondContact O-N 3.15Å; D330-D334 VanDerWaalsContact O-CG 3.29Å; D330-D334 PolarHBondContact O-N 3.01Å
331Q91.5Very high90.6Very high28 Ų2850.5 Ų50.513%0.13129%0.287CS..Hα-helixtrans-65.2-38.2179.7-68.517825.400112.4L190 E191 E327 V335L190-Q331 HydrophobicContact CB-CB 4.25Å; L190-Q331 HydrophobicContact CD1-CB 3.74Å; L190-Q331 PolarHBondContact O-OE1 3.39Å; L190-Q331 VanDerWaalsContact O-OE1 3.04Å; E191-Q331 PolarHBondContact OE2-NE2 2.92Å; E327-Q331 WeakPolarHBondContact O-CB 3.4Å; E327-Q331 WeakPolarHBondContact O-CG 3.4Å; E327-Q331 PolarHBondContact O-N 3.39Å; Q331-V335 VanDerWaalsContact O-CG2 3.31Å; Q331-V335 WeakPolarHBondContact O-CG2 3.39Å; Q331-V335 PolarHBondContact O-N 3.4Å; Q331-V335 VanDerWaalsContact O-N 3.11Å
332V93Very high90.8Very high3 Ų352.3 Ų52.32%0.01829%0.289CS..Hα-helixtrans-67.5-40.4174.8170.70000111I195 C203 L316 V328 I329 D330 D334 V335 L336I195-V332 HydrophobicContact CD1-CG2 3.81Å; C203-V332 HydrophobicContact CB-CG1 4.09Å; L316-V332 HydrophobicContact CD1-CG1 4.47Å; V328-V332 HydrophobicContact CG1-CG2 4.17Å; V328-V332 VanDerWaalsContact O-CB 3.29Å; V328-V332 WeakPolarHBondContact O-CB 3.38Å; V328-V332 WeakPolarHBondContact O-CG2 3.26Å; V328-V332 PolarHBondContact O-N 3.39Å; I329-V332 PolarHBondContact O-N 2.6Å; D330-V332 PolarHBondContact O-N 2.98Å; V332-D334 VanDerWaalsContact C-N 3.35Å; V332-D334 PolarHBondContact O-N 2.9Å; V332-V335 PolarHBondContact O-N 2.83Å; V332-L336 HydrophobicContact CG1-CD1 3.72Å; V332-L336 HydrophobicContact CG1-CG 4.17Å; V332-L336 WeakPolarHBondContact O-CB 3.26Å; V332-L336 VanDerWaalsContact O-CG 3.27Å; V332-L336 WeakPolarHBondContact O-CG 3.23Å; V332-L336 PolarHBondContact O-N 3.01Å
333A92.8Very high91.1Very high0 Ų047.3 Ų47.30%025%0.254CS..Hα-helixtrans-61.2-4417700000111.5M309 V312 R313 L316 I329 D330 V335 L336 E337M309-A333 HydrophobicContact CE-CB 4.18Å; M309-A333 VanDerWaalsContact CE-O 3.27Å; M309-A333 WeakPolarHBondContact CE-O 3.04Å; V312-A333 HydrophobicContact CG1-CB 4.47Å; R313-A333 HydrophobicContact CG-CB 4.05Å; L316-A333 HydrophobicContact CD1-CB 4.35Å; I329-A333 VanDerWaalsContact O-CB 3.28Å; I329-A333 WeakPolarHBondContact O-CB 3.02Å; I329-A333 PolarHBondContact O-N 2.91Å; D330-A333 PolarHBondContact O-N 3.15Å; A333-V335 VanDerWaalsContact C-N 3.34Å; A333-V335 PolarHBondContact O-N 3.45Å; A333-L336 PolarHBondContact O-N 3.42Å; A333-E337 PolarHBondContact O-N 3.29Å
334D92.5Very high91.3Very high89 Ų8942.1 Ų42.148%0.47623%0.226SC..Hα-helixtrans-63.9-39.1177.6-66.8-10.9000111.7R313 D330 V332 E337R313-D334 IonicContact NH2-OD1 3.38Å; R313-D334 PolarHBondContact NH2-OD1 3.46Å; D330-D334 VanDerWaalsContact O-CG 3.29Å; D330-D334 PolarHBondContact O-N 3.01Å; V332-D334 VanDerWaalsContact C-N 3.35Å; V332-D334 PolarHBondContact O-N 2.9Å; D334-E337 PolarHBondContact O-N 3.33Å
335V92.2Very high91.1Very high39 Ų3943.3 Ų43.324%0.23623%0.232CC..Hα-helixtrans-67.8-37.1175.1171.20000112.1K188 L190 I200 Q331 V332 A333 E337K188-V335 HydrophobicContact CD-CG1 4.28Å; L190-V335 HydrophobicContact CD1-CG2 3.73Å; L190-V335 HydrophobicContact CD2-CG2 3.73Å; L190-V335 HydrophobicContact CG-CG2 4.42Å; I200-V335 HydrophobicContact CD1-CG1 4.42Å; Q331-V335 VanDerWaalsContact O-CG2 3.31Å; Q331-V335 WeakPolarHBondContact O-CG2 3.39Å; Q331-V335 PolarHBondContact O-N 3.4Å; Q331-V335 VanDerWaalsContact O-N 3.11Å; V332-V335 PolarHBondContact O-N 2.83Å; A333-V335 VanDerWaalsContact C-N 3.34Å; A333-V335 PolarHBondContact O-N 3.45Å; V335-E337 VanDerWaalsContact C-N 3.33Å
336L92.6Very high90.9Very high1 Ų151.1 Ų51.11%0.00526%0.256CS..Hα-helixtrans-74.8-20.1179.8-75.7175.7000113I200 C203 E204 I207 V332 A333 L338 T339 L340I200-L336 HydrophobicContact CG2-CD2 3.46Å; I200-L336 VanDerWaalsContact CG2-CD2 3.46Å; I200-L336 HydrophobicContact CG2-CG 4.01Å; C203-L336 HydrophobicContact CB-CD1 3.83Å; E204-L336 HydrophobicContact CB-CD2 3.98Å; I207-L336 HydrophobicContact CD1-CD1 3.86Å; V332-L336 HydrophobicContact CG1-CD1 3.72Å; V332-L336 HydrophobicContact CG1-CG 4.17Å; V332-L336 WeakPolarHBondContact O-CB 3.26Å; V332-L336 VanDerWaalsContact O-CG 3.27Å; V332-L336 WeakPolarHBondContact O-CG 3.23Å; V332-L336 PolarHBondContact O-N 3.01Å; A333-L336 PolarHBondContact O-N 3.42Å; L336-L338 PolarHBondContact O-N 2.98Å; L336-L338 VanDerWaalsContact O-N 3.15Å; L336-T339 PolarHBondContact O-N 3.31Å; L336-T339 PolarHBondContact O-OG1 2.84Å; L336-L340 HydrophobicContact CB-CD1 3.97Å; L336-L340 HydrophobicContact CB-CG 4.18Å; L336-L340 WeakPolarHBondContact O-CB 3.43Å; L336-L340 WeakPolarHBondContact O-CG 3.49Å; L336-L340 PolarHBondContact O-N 3.42Å
337E90.8Very high90.8Very high90 Ų9050.2 Ų50.242%0.42124%0.242SC..Hα-helixtrans-51.3-45.2-176.3-171.5-179.1175.500112.1F303 M309 A333 D334 V335 Q341F303-E337 HydrophobicContact CE1-CG 4.12Å; F303-E337 HydrophobicContact CZ-CG 4.47Å; M309-E337 HydrophobicContact CE-CB 3.96Å; M309-E337 HydrophobicContact CE-CG 4.21Å; M309-E337 HydrophobicContact SD-CB 4.45Å; M309-E337 HydrophobicContact SD-CG 4.09Å; A333-E337 PolarHBondContact O-N 3.29Å; D334-E337 PolarHBondContact O-N 3.33Å; V335-E337 VanDerWaalsContact C-N 3.33Å; E337-Q341 WeakPolarHBondContact O-CB 3.43Å; E337-Q341 PolarHBondContact O-N 3.3Å
338L89.8Confident90.4Very high105 Ų10545.8 Ų45.855%0.5522%0.221SC..Hα-helixtrans-68.2-40.3-180-174.264.3000112.8L336 Q342L336-L338 PolarHBondContact O-N 2.98Å; L336-L338 VanDerWaalsContact O-N 3.15Å; L338-Q342 WeakPolarHBondContact O-CG 3.43Å; L338-Q342 PolarHBondContact O-N 3.39Å
339T91.4Very high89.9Confident48 Ų4847.7 Ų47.729%0.29424%0.241SC..Hα-helixtrans-71.5-41179.456.80000110.9L336 Q341 Q342 S343L336-T339 PolarHBondContact O-N 3.31Å; L336-T339 PolarHBondContact O-OG1 2.84Å; T339-Q341 VanDerWaalsContact C-N 3.33Å; T339-Q341 PolarHBondContact O-N 3.23Å; T339-Q342 PolarHBondContact O-N 2.66Å; T339-S343 WeakPolarHBondContact O-CB 3.42Å; T339-S343 PolarHBondContact O-N 3.45Å; T339-S343 PolarHBondContact O-OG 2.99Å
340L92Very high89.4Confident1 Ų150.4 Ų50.41%0.00526%0.262CS..Hα-helixtrans-61.6-40.3174.2-66173.6000111.7E204 I207 L211 F303 V312 L336 Q342 S343 F344E204-L340 HydrophobicContact CG-CD2 4.19Å; I207-L340 HydrophobicContact CB-CD2 4.03Å; I207-L340 HydrophobicContact CD1-CD1 4.09Å; I207-L340 HydrophobicContact CD1-CD2 4.3Å; I207-L340 HydrophobicContact CG2-CD1 4.17Å; I207-L340 HydrophobicContact CG2-CD2 3.68Å; L211-L340 HydrophobicContact CD2-CD2 4.18Å; L211-L340 WeakPolarHBondContact CD2-O 3.32Å; F303-L340 HydrophobicContact CE2-CB 4.07Å; F303-L340 HydrophobicContact CZ-CB 4.14Å; V312-L340 HydrophobicContact CG1-CD1 4.14Å; V312-L340 HydrophobicContact CG2-CD1 4.35Å; L336-L340 HydrophobicContact CB-CD1 3.97Å; L336-L340 HydrophobicContact CB-CG 4.18Å; L336-L340 WeakPolarHBondContact O-CB 3.43Å; L336-L340 WeakPolarHBondContact O-CG 3.49Å; L336-L340 PolarHBondContact O-N 3.42Å; L340-Q342 VanDerWaalsContact C-N 3.34Å; L340-Q342 PolarHBondContact O-N 3.43Å; L340-S343 PolarHBondContact O-N 2.87Å; L340-F344 VanDerWaalsContact O-CB 3.3Å; L340-F344 WeakPolarHBondContact O-CB 3.34Å; L340-F344 PolarHBondContact O-N 2.9Å
341Q90.8Very high88.7Confident38 Ų3849.2 Ų49.218%0.17826%0.255CS..Hα-helixtrans-61.3-43175.3-173.4179.947.600111.7K300 F303 E337 T339 F344 I345K300-Q341 VanDerWaalsContact CG-NE2 3.34Å; F303-Q341 HydrophobicContact CB-CG 4.34Å; F303-Q341 HydrophobicContact CD1-CB 4.26Å; F303-Q341 HydrophobicContact CD1-CG 4.2Å; F303-Q341 HydrophobicContact CD2-CB 4.23Å; F303-Q341 HydrophobicContact CD2-CG 4.4Å; F303-Q341 HydrophobicContact CE1-CB 4.23Å; F303-Q341 HydrophobicContact CE2-CB 4.18Å; F303-Q341 HydrophobicContact CG-CB 4.25Å; F303-Q341 HydrophobicContact CG-CG 4.06Å; F303-Q341 HydrophobicContact CZ-CB 4.18Å; E337-Q341 WeakPolarHBondContact O-CB 3.43Å; E337-Q341 PolarHBondContact O-N 3.3Å; T339-Q341 VanDerWaalsContact C-N 3.33Å; T339-Q341 PolarHBondContact O-N 3.23Å; Q341-F344 PolarHBondContact O-N 3.22Å; Q341-I345 HydrophobicContact CG-CD1 4.21Å; Q341-I345 WeakPolarHBondContact O-CD1 3.24Å; Q341-I345 VanDerWaalsContact O-CG1 3.29Å; Q341-I345 WeakPolarHBondContact O-CG1 3.35Å; Q341-I345 PolarHBondContact O-N 3.26Å
342Q90.3Very high87.9Confident118 Ų11849.6 Ų49.655%0.55126%0.26SS*.Hα-helixtrans-65.4-43.9176.6-68.5175.413.200111.9L338 T339 L340 F344 I345 R346L338-Q342 WeakPolarHBondContact O-CG 3.43Å; L338-Q342 PolarHBondContact O-N 3.39Å; T339-Q342 PolarHBondContact O-N 2.66Å; L340-Q342 VanDerWaalsContact C-N 3.34Å; L340-Q342 PolarHBondContact O-N 3.43Å; Q342-F344 VanDerWaalsContact C-N 3.33Å; Q342-F344 PolarHBondContact O-N 3.21Å; Q342-I345 PolarHBondContact O-N 3.36Å; Q342-R346 WeakPolarHBondContact O-CB 3.42Å; Q342-R346 PolarHBondContact O-N 2.95Å
343S88.8Confident86.5Confident27 Ų2752.7 Ų52.719%0.18928%0.281CS..Hα-helixtrans-62-40175.8-71.80000111.6E204 T339 L340 R346 Y347E204-S343 PolarHBondContact OE1-OG 3.37Å; T339-S343 WeakPolarHBondContact O-CB 3.42Å; T339-S343 PolarHBondContact O-N 3.45Å; T339-S343 PolarHBondContact O-OG 2.99Å; L340-S343 PolarHBondContact O-N 2.87Å; S343-R346 WeakPolarHBondContact O-CB 3.18Å; S343-R346 PolarHBondContact O-N 2.99Å; S343-Y347 WeakPolarHBondContact O-CD2 3.09Å; S343-Y347 PolarHBondContact O-N 2.65Å
344F88.9Confident84.7Confident0 Ų057.2 Ų57.20%031%0.311CS..Hα-helixtrans-63.3-46.6175.4-174.7-99.2000112.5L211 K214 A215 A218 I299 L302 F303 V307 L340 Q341 Q342 R346 Y347 I348L211-F344 HydrophobicContact CD1-CB 4.03Å; L211-F344 HydrophobicContact CD1-CD2 3.81Å; L211-F344 HydrophobicContact CD1-CG 4.39Å; L211-F344 HydrophobicContact CD2-CB 4.36Å; L211-F344 HydrophobicContact CG-CB 4.27Å; L211-F344 HydrophobicContact CG-CD2 4.23Å; K214-F344 HydrophobicContact CB-CE2 4.32Å; A215-F344 VanDerWaalsContact CA-CE2 3.46Å; A215-F344 HydrophobicContact CB-CD2 3.85Å; A215-F344 HydrophobicContact CB-CE2 3.82Å; A218-F344 HydrophobicContact CB-CZ 3.86Å; I299-F344 HydrophobicContact CG2-CD1 4.22Å; I299-F344 HydrophobicContact CG2-CE1 4.35Å; L302-F344 HydrophobicContact CB-CE1 4.01Å; L302-F344 HydrophobicContact CB-CZ 4.46Å; F303-F344 HydrophobicContact CB-CD1 3.9Å; F303-F344 HydrophobicContact CB-CE1 4.1Å; F303-F344 HydrophobicContact CD2-CB 3.74Å; F303-F344 HydrophobicContact CD2-CD1 4.04Å; F303-F344 HydrophobicContact CD2-CD2 4.34Å; F303-F344 AromaticContact CD2-CG 3.81Å; F303-F344 HydrophobicContact CD2-CG 3.81Å; F303-F344 HydrophobicContact CE2-CB 4.3Å; F303-F344 HydrophobicContact CG-CD1 4.49Å; V307-F344 HydrophobicContact CG2-CD2 3.9Å; V307-F344 HydrophobicContact CG2-CE2 3.89Å; L340-F344 VanDerWaalsContact O-CB 3.3Å; L340-F344 WeakPolarHBondContact O-CB 3.34Å; L340-F344 PolarHBondContact O-N 2.9Å; Q341-F344 PolarHBondContact O-N 3.22Å; Q342-F344 VanDerWaalsContact C-N 3.33Å; Q342-F344 PolarHBondContact O-N 3.21Å; F344-R346 VanDerWaalsContact C-N 3.28Å; F344-R346 PolarHBondContact O-N 3.15Å; F344-Y347 PolarHBondContact O-N 3.33Å; F344-I348 HydrophobicContact CD1-CD1 3.85Å; F344-I348 HydrophobicContact CE1-CD1 3.26Å; F344-I348 HydrophobicContact CE1-CG1 4.33Å; F344-I348 HydrophobicContact CE2-CD1 4.45Å; F344-I348 HydrophobicContact CZ-CD1 3.62Å; F344-I348 PolarHBondContact O-N 2.75Å
345I86.6Confident82.8Confident39 Ų3959.4 Ų59.420%0.232%0.322CS..Hα-helixtrans-58.6-43.7175.2-68.5160.6000110.3I299 K300 Q341 Q342 Y347 I348 G349I299-I345 HydrophobicContact CB-CG1 4.19Å; I299-I345 HydrophobicContact CD1-CG2 4.45Å; I299-I345 HydrophobicContact CG2-CB 4.15Å; I299-I345 HydrophobicContact CG2-CG1 3.48Å; I299-I345 VanDerWaalsContact CG2-CG1 3.48Å; I299-I345 HydrophobicContact CG2-CG2 4.47Å; K300-I345 HydrophobicContact CG-CD1 4.45Å; Q341-I345 HydrophobicContact CG-CD1 4.21Å; Q341-I345 WeakPolarHBondContact O-CD1 3.24Å; Q341-I345 VanDerWaalsContact O-CG1 3.29Å; Q341-I345 WeakPolarHBondContact O-CG1 3.35Å; Q341-I345 PolarHBondContact O-N 3.26Å; Q342-I345 PolarHBondContact O-N 3.36Å; I345-Y347 PolarHBondContact O-N 2.99Å; I345-I348 PolarHBondContact O-N 3.06Å; I345-G349 PolarHBondContact O-N 3.01Å
346R87.4Confident80.7Confident199 Ų19959 Ų5975%0.75132%0.323SS*.Hα-helixtrans-62-42.5177.6-173.6-179-177.4168.51.3111.8Q342 S343 F344 G349 S350Q342-R346 WeakPolarHBondContact O-CB 3.42Å; Q342-R346 PolarHBondContact O-N 2.95Å; S343-R346 WeakPolarHBondContact O-CB 3.18Å; S343-R346 PolarHBondContact O-N 2.99Å; F344-R346 VanDerWaalsContact C-N 3.28Å; F344-R346 PolarHBondContact O-N 3.15Å; R346-G349 PolarHBondContact O-N 2.98Å; R346-S350 PolarHBondContact O-N 3.48Å
347Y87Confident78.8Confident55 Ų5559.8 Ų59.822%0.21633%0.331CS..Hα-helixtrans-63.1-46.3176.7-74.1-50.6000112D208 L211 K212 S343 F344 I345 S350 L351D208-Y347 WeakPolarHBondContact OD1-CE2 3.45Å; D208-Y347 VanDerWaalsContact OD1-CZ 3.28Å; D208-Y347 PolarHBondContact OD1-OH 3.36Å; L211-Y347 HydrophobicContact CD2-CD2 4.23Å; L211-Y347 HydrophobicContact CD2-CE2 4.17Å; L211-Y347 HydrophobicContact CG-CD2 4.39Å; K212-Y347 HydrophobicContact CD-CE1 4.23Å; K212-Y347 WeakPolarHBondContact CE-OH 3.42Å; K212-Y347 HydrophobicContact CG-CD1 4.02Å; K212-Y347 HydrophobicContact CG-CD2 4.12Å; K212-Y347 HydrophobicContact CG-CE1 3.76Å; K212-Y347 HydrophobicContact CG-CE2 3.83Å; K212-Y347 HydrophobicContact CG-CG 4.24Å; S343-Y347 WeakPolarHBondContact O-CD2 3.09Å; S343-Y347 PolarHBondContact O-N 2.65Å; F344-Y347 PolarHBondContact O-N 3.33Å; I345-Y347 PolarHBondContact O-N 2.99Å; Y347-S350 PolarHBondContact O-N 2.76Å; Y347-S350 PolarHBondContact O-OG 3.07Å; Y347-L351 WeakPolarHBondContact O-CG 3.33Å; Y347-L351 PolarHBondContact O-N 3Å
348I83.7Confident77Confident0 Ų058.8 Ų58.80%034%0.338CS..Hα-helixtrans-61.7-47.5175.4-70.7177.9000110.7A215 A218 I226 I299 L302 F344 I345 S350 L351 V352A215-I348 HydrophobicContact CB-CG1 4.12Å; A218-I348 HydrophobicContact CB-CD1 4.3Å; I226-I348 HydrophobicContact CD1-CG2 4.27Å; I226-I348 HydrophobicContact CG2-CG2 4.32Å; I299-I348 HydrophobicContact CD1-CG2 4.48Å; I299-I348 HydrophobicContact CG2-CD1 3.93Å; L302-I348 HydrophobicContact CD1-CD1 4.24Å; F344-I348 HydrophobicContact CD1-CD1 3.85Å; F344-I348 HydrophobicContact CE1-CD1 3.26Å; F344-I348 HydrophobicContact CE1-CG1 4.33Å; F344-I348 HydrophobicContact CE2-CD1 4.45Å; F344-I348 HydrophobicContact CZ-CD1 3.62Å; F344-I348 PolarHBondContact O-N 2.75Å; I345-I348 PolarHBondContact O-N 3.06Å; I348-S350 PolarHBondContact O-N 2.97Å; I348-L351 CarbonylContact O-C 3.57Å; I348-L351 WeakPolarHBondContact O-CA 3.25Å; I348-L351 WeakPolarHBondContact O-CB 3.07Å; I348-L351 PolarHBondContact O-N 2.8Å; I348-V352 HydrophobicContact CG2-CG2 4.21Å; I348-V352 WeakPolarHBondContact O-CG2 3.46Å; I348-V352 PolarHBondContact O-N 3.47Å
349G81.3Confident75.4Confident41 Ų4158.1 Ų58.142%0.42334%0.336SS..Hα-helixtrans-56.7-36.8177.700000113.1I345 R346 L351 V352 S353I345-G349 PolarHBondContact O-N 3.01Å; R346-G349 PolarHBondContact O-N 2.98Å; G349-L351 VanDerWaalsContact C-N 3.28Å; G349-L351 PolarHBondContact O-N 3.23Å; G349-V352 PolarHBondContact O-N 3.39Å; G349-S353 PolarHBondContact O-N 2.82Å
350S82.1Confident73.7Confident73 Ų7357 Ų5751%0.5133%0.326SS..Hα-helixtrans-66.3-28.5174.678.30000113.5R346 Y347 I348R346-S350 PolarHBondContact O-N 3.48Å; Y347-S350 PolarHBondContact O-N 2.76Å; Y347-S350 PolarHBondContact O-OG 3.07Å; I348-S350 PolarHBondContact O-N 2.97Å
351L78.4Confident72.2Confident40 Ų4061.3 Ų61.321%0.20935%0.35CS..Hα-helixtrans-83.5-23.8175.6-63.3170.3000113.1Q216 F219 Y347 I348 G349 S353 A356Q216-L351 HydrophobicContact CB-CD1 4.5Å; Q216-L351 HydrophobicContact CG-CD1 3.96Å; F219-L351 HydrophobicContact CB-CD1 3.84Å; F219-L351 HydrophobicContact CD1-CB 4.05Å; F219-L351 HydrophobicContact CD1-CD1 4.34Å; F219-L351 HydrophobicContact CD2-CB 4.01Å; F219-L351 HydrophobicContact CE1-CB 4.24Å; F219-L351 HydrophobicContact CE2-CB 4.22Å; F219-L351 HydrophobicContact CG-CB 3.92Å; F219-L351 HydrophobicContact CG-CD1 4.08Å; F219-L351 HydrophobicContact CZ-CB 4.32Å; F219-L351 WeakPolarHBondContact CZ-O 3.45Å; Y347-L351 WeakPolarHBondContact O-CG 3.33Å; Y347-L351 PolarHBondContact O-N 3Å; I348-L351 CarbonylContact O-C 3.57Å; I348-L351 WeakPolarHBondContact O-CA 3.25Å; I348-L351 WeakPolarHBondContact O-CB 3.07Å; I348-L351 PolarHBondContact O-N 2.8Å; G349-L351 VanDerWaalsContact C-N 3.28Å; G349-L351 PolarHBondContact O-N 3.23Å; L351-S353 VanDerWaalsContact C-N 3.32Å; L351-A356 WeakPolarHBondContact O-CB 3.17Å
352V72.8Confident70.8Confident36 Ų3667.5 Ų67.522%0.21837%0.371CS..Hα-helixtrans-75.1-25.7175.6179.30000111.7F219 I226 L227 I348 G349F219-V352 HydrophobicContact CD2-CG2 4.26Å; F219-V352 HydrophobicContact CE2-CG2 3.82Å; I226-V352 HydrophobicContact CG2-CG2 3.38Å; L227-V352 HydrophobicContact CD2-CG1 4.11Å; I348-V352 HydrophobicContact CG2-CG2 4.21Å; I348-V352 WeakPolarHBondContact O-CG2 3.46Å; I348-V352 PolarHBondContact O-N 3.47Å; G349-V352 PolarHBondContact O-N 3.39Å
353S64Low69.4Low68 Ų6867.8 Ų67.848%0.47637%0.373SS..SBendtrans-48.5135.9-176.8-145.40000111.6G349 L351 N355 A356G349-S353 PolarHBondContact O-N 2.82Å; L351-S353 VanDerWaalsContact C-N 3.32Å; S353-N355 PolarHBondContact O-N 2.91Å; S353-A356 VanDerWaalsContact O-CB 3.32Å; S353-A356 WeakPolarHBondContact O-CB 3.32Å; S353-A356 PolarHBondContact O-N 2.86Å
354P54.9Low68.2Low95 Ų9571.5 Ų71.562%0.61739%0.385SS*.Hα-helixtrans-58.2-25.5-156.316.6-30.8000115.7A356P354-A356 VanDerWaalsContact C-N 3.26Å; P354-A356 PolarHBondContact O-N 2.99Å
355N52.2Low67.2Low135 Ų13578.8 Ų78.872%0.72242%0.417SS*.Hα-helixtrans-71-20.1175.9-70.7-6.8000113.5S353 N359S353-N355 PolarHBondContact O-N 2.91Å; N355-N359 PolarHBondContact O-N 3.16Å; N355-N359 PolarHBondContact O-ND2 3.38Å
356A50Low66.4Low29 Ų2981.1 Ų81.124%0.2443%0.429CS..Hα-helixtrans-81.7-35.6179.600000112.2L351 S353 P354 A358 N359 F360L351-A356 WeakPolarHBondContact O-CB 3.17Å; S353-A356 VanDerWaalsContact O-CB 3.32Å; S353-A356 WeakPolarHBondContact O-CB 3.32Å; S353-A356 PolarHBondContact O-N 2.86Å; P354-A356 VanDerWaalsContact C-N 3.26Å; P354-A356 PolarHBondContact O-N 2.99Å; A356-A358 PolarHBondContact O-N 3.19Å; A356-N359 PolarHBondContact O-N 3.43Å; A356-F360 WeakPolarHBondContact O-CB 3.4Å; A356-F360 PolarHBondContact O-N 2.83Å
357G51.8Low65.7Low18 Ų1877.7 Ų77.719%0.18642%0.422CS..Hα-helixtrans-59.5-46.6175.600000112.6N359 F360 D361G357-N359 VanDerWaalsContact C-N 3.34Å; G357-N359 PolarHBondContact O-N 3.13Å; G357-F360 PolarHBondContact O-N 3.22Å; G357-D361 PolarHBondContact O-N 3.2Å
358A53.9Low65Low69 Ų6979.1 Ų79.157%0.5744%0.436SS*.Hα-helixtrans-64.3-37.1176.400000112.8A356 R362A356-A358 PolarHBondContact O-N 3.19Å; A358-R362 WeakPolarHBondContact O-CB 3.41Å; A358-R362 PolarHBondContact O-N 3.4Å
359N54.3Low64.6Low92 Ų9284.4 Ų84.449%0.49246%0.461SS..Hα-helixtrans-69.5-35.2174.1-91.7-34.9000112.3N355 A356 G357 R362 Q363N355-N359 PolarHBondContact O-N 3.16Å; N355-N359 PolarHBondContact O-ND2 3.38Å; A356-N359 PolarHBondContact O-N 3.43Å; G357-N359 VanDerWaalsContact C-N 3.34Å; G357-N359 PolarHBondContact O-N 3.13Å; N359-R362 PolarHBondContact O-N 3.19Å; N359-Q363 WeakPolarHBondContact O-CB 2.93Å; N359-Q363 WeakPolarHBondContact O-CG 3.45Å; N359-Q363 PolarHBondContact O-N 3.47Å
360F57.4Low64.5Low23 Ų2389.1 Ų89.110%0.10147%0.472CS..Hα-helixtrans-67.5-48.9177.5179.4-108.7000111.7H220 H223 A356 G357 R362 Q363 K364H220-F360 AromaticContact CE1-CD2 3.45Å; H220-F360 VanDerWaalsContact CE1-CD2 3.45Å; H220-F360 WeakPolarHBondContact CE1-CD2 3.37Å; H220-F360 AromaticContact CE1-CE2 3.41Å; H220-F360 VanDerWaalsContact CE1-CE2 3.41Å; H220-F360 WeakPolarHBondContact CE1-CE2 3.46Å; H220-F360 AromaticContact ND1-CD2 3.4Å; H220-F360 WeakPolarHBondContact ND1-CD2 3.41Å; H220-F360 AromaticContact ND1-CE2 2.93Å; H220-F360 WeakPolarHBondContact ND1-CE2 3.47Å; H220-F360 AromaticContact ND1-CZ 3.73Å; H223-F360 AromaticContact CD2-CD1 3.65Å; H223-F360 AromaticContact CD2-CE1 3.67Å; H223-F360 AromaticContact CE1-CD1 3.53Å; H223-F360 AromaticContact CE1-CE1 3.71Å; H223-F360 AromaticContact CG-CE1 3.84Å; H223-F360 AromaticContact ND1-CE1 3.88Å; H223-F360 AromaticContact NE2-CD1 3.17Å; H223-F360 WeakPolarHBondContact NE2-CD1 3.27Å; H223-F360 AromaticContact NE2-CE1 3.59Å; H223-F360 AromaticContact NE2-CG 3.94Å; A356-F360 WeakPolarHBondContact O-CB 3.4Å; A356-F360 PolarHBondContact O-N 2.83Å; G357-F360 PolarHBondContact O-N 3.22Å; F360-R362 PolarHBondContact O-N 2.83Å; F360-Q363 PolarHBondContact O-N 2.93Å; F360-Q363 VanDerWaalsContact O-N 3.13Å; F360-K364 HydrophobicContact CE1-CD 4.03Å; F360-K364 HydrophobicContact CZ-CD 3.92Å; F360-K364 WeakPolarHBondContact O-CB 3.42Å; F360-K364 PolarHBondContact O-N 3.05Å
361D59.5Low64.5Low92 Ų9289.1 Ų89.149%0.49247%0.469SS..Hα-helixtrans-58.4-35175.2-81.7-25.1000111.4G357 K365G357-D361 PolarHBondContact O-N 3.2Å; D361-K365 WeakPolarHBondContact O-CB 3.21Å; D361-K365 WeakPolarHBondContact O-CG 3.23Å; D361-K365 PolarHBondContact O-N 2.97Å; D361-K365 VanDerWaalsContact O-N 3.12Å
362R60.9Low64.7Low169 Ų16990.7 Ų90.764%0.63848%0.48SS*.Hα-helixtrans-69.6-46.2174.8-169177.8-179.4-175.30.1112.4A358 N359 F360 K365 L366A358-R362 WeakPolarHBondContact O-CB 3.41Å; A358-R362 PolarHBondContact O-N 3.4Å; N359-R362 PolarHBondContact O-N 3.19Å; F360-R362 PolarHBondContact O-N 2.83Å; R362-K365 PolarHBondContact O-N 3.37Å; R362-L366 HydrophobicContact CG-CD1 4.33Å; R362-L366 WeakPolarHBondContact O-CG 3.35Å; R362-L366 PolarHBondContact O-N 3.12Å
363Q61.2Low65.1Low123 Ų12393 Ų9358%0.57549%0.491SS*.Hα-helixtrans-64.5-43.7178.2-82-177.1-20.100111.8N359 F360 K365 L366 Q367N359-Q363 WeakPolarHBondContact O-CB 2.93Å; N359-Q363 WeakPolarHBondContact O-CG 3.45Å; N359-Q363 PolarHBondContact O-N 3.47Å; F360-Q363 PolarHBondContact O-N 2.93Å; F360-Q363 VanDerWaalsContact O-N 3.13Å; Q363-K365 VanDerWaalsContact C-N 3.32Å; Q363-K365 PolarHBondContact O-N 3.19Å; Q363-L366 PolarHBondContact O-N 3.43Å; Q363-Q367 WeakPolarHBondContact O-CB 3.33Å; Q363-Q367 PolarHBondContact O-N 2.85Å
364K64.8Low65.9Low106 Ų10693.1 Ų93.146%0.46149%0.492SS..Hα-helixtrans-62.9-40.5177.6-147.4-178-170.1-178.80111.1F360 T368F360-K364 HydrophobicContact CE1-CD 4.03Å; F360-K364 HydrophobicContact CZ-CD 3.92Å; F360-K364 WeakPolarHBondContact O-CB 3.42Å; F360-K364 PolarHBondContact O-N 3.05Å; K364-T368 VanDerWaalsContact O-CB 3.3Å; K364-T368 WeakPolarHBondContact O-CB 3.3Å; K364-T368 PolarHBondContact O-N 3.49Å; K364-T368 PolarHBondContact O-OG1 3.39Å
365K66.5Low67.3Low152 Ų15293.9 Ų93.966%0.66149%0.489SS*.Hα-helixtrans-61.4-45.7172.6-79.8175.3-177.7177.50112.2D361 R362 Q363 Q369D361-K365 WeakPolarHBondContact O-CB 3.21Å; D361-K365 WeakPolarHBondContact O-CG 3.23Å; D361-K365 PolarHBondContact O-N 2.97Å; D361-K365 VanDerWaalsContact O-N 3.12Å; R362-K365 PolarHBondContact O-N 3.37Å; Q363-K365 VanDerWaalsContact C-N 3.32Å; Q363-K365 PolarHBondContact O-N 3.19Å; K365-Q369 VanDerWaalsContact O-CB 3.24Å; K365-Q369 WeakPolarHBondContact O-CB 3.41Å; K365-Q369 PolarHBondContact O-N 2.93Å
366L70.8Confident68.7Low88 Ų8890.8 Ų90.846%0.46148%0.475SS..Hα-helixtrans-64.4-44.9178.3-73.5169.6000112.3R362 Q363 Q369 E370R362-L366 HydrophobicContact CG-CD1 4.33Å; R362-L366 WeakPolarHBondContact O-CG 3.35Å; R362-L366 PolarHBondContact O-N 3.12Å; Q363-L366 PolarHBondContact O-N 3.43Å; L366-Q369 WeakPolarHBondContact O-CB 3.41Å; L366-Q369 PolarHBondContact O-N 2.86Å; L366-E370 PolarHBondContact O-N 3.19Å
367Q72.1Confident70.2Confident128 Ų12894.5 Ų94.560%0.59849%0.49SS*.Hα-helixtrans-67.6-39.8-180-159.7174.119.700111.5Q363 Q369 E370 V371Q363-Q367 WeakPolarHBondContact O-CB 3.33Å; Q363-Q367 PolarHBondContact O-N 2.85Å; Q367-Q369 VanDerWaalsContact C-N 3.31Å; Q367-Q369 PolarHBondContact O-N 3.36Å; Q367-E370 PolarHBondContact O-N 2.89Å; Q367-V371 WeakPolarHBondContact O-CG2 3.45Å; Q367-V371 PolarHBondContact O-N 3.46Å
368T72.1Confident71.6Confident84 Ų8496.2 Ų96.252%0.51550%0.499SS..Hα-helixtrans-63.8-40.1172.8-50.20000110.6K364 V371 V372K364-T368 VanDerWaalsContact O-CB 3.3Å; K364-T368 WeakPolarHBondContact O-CB 3.3Å; K364-T368 PolarHBondContact O-N 3.49Å; K364-T368 PolarHBondContact O-OG1 3.39Å; T368-V371 PolarHBondContact O-N 2.65Å; T368-V372 HydrophobicContact CG2-CG2 4.42Å; T368-V372 WeakPolarHBondContact O-CB 3.33Å; T368-V372 VanDerWaalsContact O-CG2 3.23Å; T368-V372 WeakPolarHBondContact O-CG2 3.41Å; T368-V372 PolarHBondContact O-N 2.89Å
369Q75.6Confident72.8Confident112 Ų11298.2 Ų98.252%0.52350%0.5SS..Hα-helixtrans-63.7-42.1176.3-174.4176.111.100111.9K365 L366 Q367 V372 N373K365-Q369 VanDerWaalsContact O-CB 3.24Å; K365-Q369 WeakPolarHBondContact O-CB 3.41Å; K365-Q369 PolarHBondContact O-N 2.93Å; L366-Q369 WeakPolarHBondContact O-CB 3.41Å; L366-Q369 PolarHBondContact O-N 2.86Å; Q367-Q369 VanDerWaalsContact C-N 3.31Å; Q367-Q369 PolarHBondContact O-N 3.36Å; Q369-V372 PolarHBondContact O-N 2.96Å; Q369-N373 VanDerWaalsContact O-CB 3.3Å; Q369-N373 WeakPolarHBondContact O-CB 3.24Å; Q369-N373 PolarHBondContact O-N 2.91Å; Q369-N373 PolarHBondContact O-ND2 3.02Å; Q369-N373 PolarHBondContact O-OD1 2.85Å
370E78.8Confident74Confident140 Ų14098.6 Ų98.665%0.65450%0.499SS*.Hα-helixtrans-64-43.8174.4-83.4-176.6160.200112.5L366 Q367 N373 S374L366-E370 PolarHBondContact O-N 3.19Å; Q367-E370 PolarHBondContact O-N 2.89Å; E370-N373 PolarHBondContact O-N 3.42Å; E370-S374 VanDerWaalsContact O-CB 3.28Å; E370-S374 WeakPolarHBondContact O-CB 3.3Å; E370-S374 PolarHBondContact O-N 3.28Å
371V82.2Confident74.9Confident72 Ų72102.2 Ų102.244%0.43652%0.522SS..Hα-helixtrans-63.4-43.2177.1170.40000110.8Q367 T368 S374 M375Q367-V371 WeakPolarHBondContact O-CG2 3.45Å; Q367-V371 PolarHBondContact O-N 3.46Å; T368-V371 PolarHBondContact O-N 2.65Å; V371-S374 PolarHBondContact O-N 2.87Å; V371-M375 HydrophobicContact CG1-CE 3.56Å; V371-M375 WeakPolarHBondContact O-CG 3.27Å; V371-M375 PolarHBondContact O-N 3.37Å
372V82.1Confident75.7Confident74 Ų74102.5 Ų102.545%0.44852%0.523SS..Hα-helixtrans-63.2-44.5175.1170.50000110.6T368 Q369 S374 M375 V376T368-V372 HydrophobicContact CG2-CG2 4.42Å; T368-V372 WeakPolarHBondContact O-CB 3.33Å; T368-V372 VanDerWaalsContact O-CG2 3.23Å; T368-V372 WeakPolarHBondContact O-CG2 3.41Å; T368-V372 PolarHBondContact O-N 2.89Å; Q369-V372 PolarHBondContact O-N 2.96Å; V372-S374 VanDerWaalsContact C-N 3.34Å; V372-S374 PolarHBondContact O-N 2.8Å; V372-M375 PolarHBondContact O-N 3.33Å; V372-V376 HydrophobicContact CG1-CG2 4.36Å; V372-V376 WeakPolarHBondContact O-CB 3.26Å; V372-V376 VanDerWaalsContact O-CG2 3.26Å; V372-V376 WeakPolarHBondContact O-CG2 3.48Å; V372-V376 PolarHBondContact O-N 3.45Å
373N81.8Confident76.2Confident83 Ų83102 Ų10244%0.44453%0.525SS..Hα-helixtrans-62.2-41.4177-72.2-14.8000111.9Q369 E370 V376 L377Q369-N373 VanDerWaalsContact O-CB 3.3Å; Q369-N373 WeakPolarHBondContact O-CB 3.24Å; Q369-N373 PolarHBondContact O-N 2.91Å; Q369-N373 PolarHBondContact O-ND2 3.02Å; Q369-N373 PolarHBondContact O-OD1 2.85Å; E370-N373 PolarHBondContact O-N 3.42Å; N373-V376 PolarHBondContact O-N 3.44Å; N373-L377 WeakPolarHBondContact O-CB 3.41Å; N373-L377 VanDerWaalsContact O-CG 3.3Å; N373-L377 WeakPolarHBondContact O-CG 3.28Å; N373-L377 PolarHBondContact O-N 2.89Å
374S81.6Confident76.3Confident72 Ų72104.4 Ų104.450%0.50353%0.534SS..Hα-helixtrans-62-44.7174163.30000112.1E370 V371 V372 L377 S378E370-S374 VanDerWaalsContact O-CB 3.28Å; E370-S374 WeakPolarHBondContact O-CB 3.3Å; E370-S374 PolarHBondContact O-N 3.28Å; V371-S374 PolarHBondContact O-N 2.87Å; V372-S374 VanDerWaalsContact C-N 3.34Å; V372-S374 PolarHBondContact O-N 2.8Å; S374-L377 PolarHBondContact O-N 3.36Å; S374-S378 PolarHBondContact O-N 2.87Å; S374-S378 PolarHBondContact O-OG 3.33Å
375M83.1Confident76.1Confident111 Ų111103.8 Ų103.855%0.54754%0.543SS..Hα-helixtrans-63-41.6174.1-76.4-160.6-132.800111.9V371 V372 S378 L379V371-M375 HydrophobicContact CG1-CE 3.56Å; V371-M375 WeakPolarHBondContact O-CG 3.27Å; V371-M375 PolarHBondContact O-N 3.37Å; V372-M375 PolarHBondContact O-N 3.33Å; M375-S378 VanDerWaalsContact CA-OG 3.27Å; M375-S378 WeakPolarHBondContact CA-OG 3.28Å; M375-S378 PolarHBondContact O-N 2.75Å; M375-S378 PolarHBondContact O-OG 2.84Å; M375-L379 WeakPolarHBondContact O-CB 3.39Å; M375-L379 VanDerWaalsContact O-CG 3.28Å; M375-L379 WeakPolarHBondContact O-CG 3.29Å; M375-L379 PolarHBondContact O-N 3.26Å
376V82.5Confident75.6Confident70 Ų70101 Ų10142%0.42454%0.542SS..Hα-helixtrans-63.6-44.2176.7170.10000110.7V372 N373 L379 Q380V372-V376 HydrophobicContact CG1-CG2 4.36Å; V372-V376 WeakPolarHBondContact O-CB 3.26Å; V372-V376 VanDerWaalsContact O-CG2 3.26Å; V372-V376 WeakPolarHBondContact O-CG2 3.48Å; V372-V376 PolarHBondContact O-N 3.45Å; N373-V376 PolarHBondContact O-N 3.44Å; V376-L379 PolarHBondContact O-N 3.19Å; V376-Q380 VanDerWaalsContact O-CG 3.3Å; V376-Q380 WeakPolarHBondContact O-CG 3.39Å; V376-Q380 PolarHBondContact O-N 3.43Å
377L82Confident74.5Confident106 Ų106108.5 Ų108.556%0.55557%0.572SS**Hα-helixtrans-63-43.9176.5-77164000112N373 S374 Q380 V381N373-L377 WeakPolarHBondContact O-CB 3.41Å; N373-L377 VanDerWaalsContact O-CG 3.3Å; N373-L377 WeakPolarHBondContact O-CG 3.28Å; N373-L377 PolarHBondContact O-N 2.89Å; S374-L377 PolarHBondContact O-N 3.36Å; L377-Q380 WeakPolarHBondContact O-CB 3.3Å; L377-Q380 PolarHBondContact O-N 3.12Å; L377-V381 WeakPolarHBondContact O-CG2 3.3Å; L377-V381 PolarHBondContact O-N 2.91Å
378S81Confident74.6Confident55 Ų55107.5 Ų107.539%0.38557%0.57SS.*Hα-helixtrans-67-39177.542.40000112.4S374 M375 Q380 V381 I382S374-S378 PolarHBondContact O-N 2.87Å; S374-S378 PolarHBondContact O-OG 3.33Å; M375-S378 VanDerWaalsContact CA-OG 3.27Å; M375-S378 WeakPolarHBondContact CA-OG 3.28Å; M375-S378 PolarHBondContact O-N 2.75Å; M375-S378 PolarHBondContact O-OG 2.84Å; S378-Q380 VanDerWaalsContact C-N 3.29Å; S378-Q380 PolarHBondContact O-N 3.42Å; S378-V381 PolarHBondContact O-N 2.81Å; S378-I382 VanDerWaalsContact O-CG1 3.29Å; S378-I382 WeakPolarHBondContact O-CG1 3.42Å; S378-I382 PolarHBondContact O-N 3.25Å
379L78.5Confident74.7Confident110 Ų110108.7 Ų108.758%0.57657%0.573SS**Hα-helixtrans-62.8-35170.8-73.3173.2000112.4M375 V376 K383M375-L379 WeakPolarHBondContact O-CB 3.39Å; M375-L379 VanDerWaalsContact O-CG 3.28Å; M375-L379 WeakPolarHBondContact O-CG 3.29Å; M375-L379 PolarHBondContact O-N 3.26Å; V376-L379 PolarHBondContact O-N 3.19Å; L379-K383 WeakPolarHBondContact O-CG 3.27Å; L379-K383 PolarHBondContact O-N 2.94Å; L379-K383 VanDerWaalsContact O-N 3.12Å
380Q79.8Confident74.7Confident101 Ų101108.6 Ų108.647%0.47258%0.576SS.*Hα-helixtrans-66.2-45.3172.9-74.5171.8-12.100111.2V376 L377 S378 K383 F384V376-Q380 VanDerWaalsContact O-CG 3.3Å; V376-Q380 WeakPolarHBondContact O-CG 3.39Å; V376-Q380 PolarHBondContact O-N 3.43Å; L377-Q380 WeakPolarHBondContact O-CB 3.3Å; L377-Q380 PolarHBondContact O-N 3.12Å; S378-Q380 VanDerWaalsContact C-N 3.29Å; S378-Q380 PolarHBondContact O-N 3.42Å; Q380-K383 PolarHBondContact O-N 2.91Å; Q380-F384 VanDerWaalsContact O-CD2 3.27Å; Q380-F384 WeakPolarHBondContact O-CD2 3.4Å; Q380-F384 PolarHBondContact O-N 3.25Å
381V76Confident74.4Confident98 Ų98106.7 Ų106.759%0.59457%0.571SS**Hα-helixtrans-62.6-43.6177.41740000111.8L377 S378 K383 F384 S385L377-V381 WeakPolarHBondContact O-CG2 3.3Å; L377-V381 PolarHBondContact O-N 2.91Å; S378-V381 PolarHBondContact O-N 2.81Å; V381-K383 VanDerWaalsContact C-N 3.3Å; V381-K383 PolarHBondContact O-N 3.02Å; V381-F384 PolarHBondContact O-N 3.26Å; V381-F384 VanDerWaalsContact O-N 3.09Å; V381-S385 PolarHBondContact O-N 2.95Å
382I77.3Confident73.9Confident99 Ų99108.9 Ų108.951%0.50858%0.58SS.*Hα-helixtrans-61.6-39.5176.6-67.8164.8000111.1S378 F384 S385 S386S378-I382 VanDerWaalsContact O-CG1 3.29Å; S378-I382 WeakPolarHBondContact O-CG1 3.42Å; S378-I382 PolarHBondContact O-N 3.25Å; I382-F384 VanDerWaalsContact C-N 3.32Å; I382-F384 PolarHBondContact O-N 3.42Å; I382-S385 PolarHBondContact O-N 3.49Å; I382-S386 PolarHBondContact O-N 3.09Å; I382-S386 PolarHBondContact O-OG 3.4Å
383K69.8Low73.4Confident158 Ų158111.2 Ų111.269%0.68759%0.589SS**Hα-helixtrans-64.5-35.7174.1-80-175.8177.4-177.30112.5L379 Q380 V381L379-K383 WeakPolarHBondContact O-CG 3.27Å; L379-K383 PolarHBondContact O-N 2.94Å; L379-K383 VanDerWaalsContact O-N 3.12Å; Q380-K383 PolarHBondContact O-N 2.91Å; V381-K383 VanDerWaalsContact C-N 3.3Å; V381-K383 PolarHBondContact O-N 3.02Å
384F63.5Low72.8Confident174 Ų174113.2 Ų113.276%0.76360%0.599SS**Hα-helixtrans-75.8-27.9176.9-86.4-73.2000113.9Q380 V381 I382Q380-F384 VanDerWaalsContact O-CD2 3.27Å; Q380-F384 WeakPolarHBondContact O-CD2 3.4Å; Q380-F384 PolarHBondContact O-N 3.25Å; V381-F384 PolarHBondContact O-N 3.26Å; V381-F384 VanDerWaalsContact O-N 3.09Å; I382-F384 VanDerWaalsContact C-N 3.32Å; I382-F384 PolarHBondContact O-N 3.42Å
385S60.3Low72.1Confident93 Ų93116.4 Ų116.465%0.6561%0.606SS**Hα-helixtrans-85.4-8.4176.4870000114.2V381 I382V381-S385 PolarHBondContact O-N 2.95Å; I382-S385 PolarHBondContact O-N 3.49Å
386S56.1Low71.2Confident92 Ų92116.8 Ų116.864%0.64361%0.611SS**THydrogen-bonded Turntrans-93.94.2177.8-54.30000112.9I382I382-S386 PolarHBondContact O-N 3.09Å; I382-S386 PolarHBondContact O-OG 3.4Å
387F47.7Very low70.2Confident246 Ų246121.1 Ų121.1100%1.07963%0.628SS**  trans-107.40164.6-86.7-86000108.6

Retrieved 387 of 387 residues in 763.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).