A0A096M8Z1_POEFO Loading...

EGFR pathway substrate 8a, signaling adaptor

AlphaFold DB , UniProt , Accession A0A096M8Z1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 463 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1Q53.2Low81.8Confident246 Ų246111.2 Ų111.2100%1.1558%0.58SS**  0111.20-140.5170.43.100105.3
2N72.8Confident82.5Confident150 Ų150102.7 Ų102.780%0.80254%0.536SS*.  trans-84.1127.5179.4-69.8-9.9000107.7L4N2-L4 PolarHBondContact O-N 3.32Å
3E81.7Confident82.8Confident143 Ų143103.1 Ų103.167%0.66853%0.534SS*.  trans-72.7115.3174.3-172.1174.2168.200108.4N6E3-N6 WeakPolarHBondContact OE1-CB 3.47Å; E3-N6 PolarHBondContact OE1-ND2 3.29Å
4L84.3Confident83.1Confident170 Ų170102.7 Ų102.789%0.8953%0.528SS*.  trans-83.6-41.1-178.8-65.3175.8000111.5N2N2-L4 PolarHBondContact O-N 3.32Å
5E84.8Confident83.7Confident117 Ų11796.1 Ų96.155%0.54749%0.494SS..  trans-157.6146.4-174.9-148.7163.9-170.900110.8F7 H43E5-F7 HydrophobicContact CB-CE2 4.05Å; E5-F7 HydrophobicContact CB-CZ 4.1Å; E5-F7 HydrophobicContact CG-CE1 3.98Å; E5-F7 HydrophobicContact CG-CE2 3.95Å; E5-F7 HydrophobicContact CG-CZ 3.52Å; E5-F7 WeakPolarHBondContact OE2-CZ 3.11Å; E5-H43 IonicContact OE1-CE1 2.64Å; E5-H43 PolarHBondContact OE1-CE1 3.3Å
6N86.4Confident84.2Confident108 Ų10896.3 Ų96.358%0.57849%0.492SS*.  trans-128.9121.2-179.3-167.9-51.1000109.6E3 P8E3-N6 WeakPolarHBondContact OE1-CB 3.47Å; E3-N6 PolarHBondContact OE1-ND2 3.29Å; N6-P8 WeakPolarHBondContact O-CD 2.86Å
7F89.3Confident84.6Confident52 Ų5292.2 Ų92.223%0.22848%0.476CS..  trans-110.9101.7177.9-55.7-75.3000109.9E5 I9 V12 L30 C32 H43 F45E5-F7 HydrophobicContact CB-CE2 4.05Å; E5-F7 HydrophobicContact CB-CZ 4.1Å; E5-F7 HydrophobicContact CG-CE1 3.98Å; E5-F7 HydrophobicContact CG-CE2 3.95Å; E5-F7 HydrophobicContact CG-CZ 3.52Å; E5-F7 WeakPolarHBondContact OE2-CZ 3.11Å; F7-I9 PolarHBondContact O-N 2.97Å; F7-V12 HydrophobicContact CB-CG2 4.43Å; F7-L30 HydrophobicContact CB-CD2 4.4Å; F7-L30 HydrophobicContact CD2-CD2 4.16Å; F7-L30 HydrophobicContact CG-CD2 4.14Å; F7-C32 HydrophobicContact CD1-CB 4.16Å; F7-C32 VanDerWaalsContact CD1-SG 3.56Å; F7-H43 AromaticContact CE1-CD2 3.89Å; F7-H43 AromaticContact CE1-CE1 3.47Å; F7-H43 VanDerWaalsContact CE1-CE1 3.47Å; F7-H43 WeakPolarHBondContact CE1-CE1 3.47Å; F7-H43 AromaticContact CE1-ND1 3.89Å; F7-H43 AromaticContact CE1-NE2 3.46Å; F7-H43 WeakPolarHBondContact CE1-NE2 3.43Å; F7-H43 AromaticContact CZ-CE1 3.59Å; F7-H43 AromaticContact CZ-CG 3.94Å; F7-H43 AromaticContact CZ-ND1 3.58Å; F7-H43 AromaticContact CZ-NE2 3.97Å; F7-F45 HydrophobicContact CE2-CZ 4.16Å
8P88.4Confident84.8Confident55 Ų5589.8 Ų89.836%0.35747%0.467SS..  trans-56.6135.6172.1-23.432.4000110.7N6 S10 S11 V12N6-P8 WeakPolarHBondContact O-CD 2.86Å; P8-S10 PolarHBondContact O-N 2.71Å; P8-S11 PolarHBondContact O-N 3.01Å; P8-S11 PolarHBondContact O-OG 3.26Å; P8-V12 PolarHBondContact O-N 3.5Å
9I87.3Confident84.9Confident60 Ų6088.8 Ų88.831%0.30846%0.461SS..THydrogen-bonded Turntrans-57-24.7178-68.4-61.7000112.5F7 S11 A62 M63 A66F7-I9 PolarHBondContact O-N 2.97Å; I9-S11 VanDerWaalsContact C-N 3.34Å; I9-A62 HydrophobicContact CD1-CB 4.2Å; I9-M63 HydrophobicContact CG2-CG 4.3Å; I9-A66 HydrophobicContact CG2-CB 3.61Å
10S83.7Confident84.7Confident117 Ų11791 Ų9182%0.81847%0.473SS*.THydrogen-bonded Turntrans-70.1-23.817452.30000114.6P8P8-S10 PolarHBondContact O-N 2.71Å
11S88.1Confident84Confident5 Ų588 Ų884%0.03546%0.461CS..THydrogen-bonded Turntrans-91.9-17.3177.268.90000112.8P8 I9 Q13 C32 K33 D34P8-S11 PolarHBondContact O-N 3.01Å; P8-S11 PolarHBondContact O-OG 3.26Å; I9-S11 VanDerWaalsContact C-N 3.34Å; S11-Q13 PolarHBondContact O-N 3.08Å; S11-C32 CarbonylContact O-C 3.55Å; S11-C32 WeakPolarHBondContact O-CA 3.29Å; S11-K33 WeakPolarHBondContact CB-O 3.32Å; S11-K33 PolarHBondContact O-N 3.27Å; S11-D34 WeakPolarHBondContact CB-OD1 3.09Å; S11-D34 PolarHBondContact OG-OD1 3.25Å
12V89.6Confident84.8Confident9 Ų982.7 Ų82.76%0.05545%0.45CS..EExtended strand (participates in β ladder)trans-71.4114.9174.2-173.30000109.9F7 P8 L30 M63F7-V12 HydrophobicContact CB-CG2 4.43Å; P8-V12 PolarHBondContact O-N 3.5Å; V12-L30 HydrophobicContact CG1-CD1 3.5Å; V12-L30 VanDerWaalsContact CG1-CD1 3.5Å; V12-L30 HydrophobicContact CG1-CG 4.2Å; V12-L30 HydrophobicContact CG2-CD1 4.34Å; V12-L30 HydrophobicContact CG2-CD2 4.46Å; V12-M63 HydrophobicContact CB-SD 4.05Å; V12-M63 HydrophobicContact CG1-CE 4.45Å; V12-M63 HydrophobicContact CG1-CG 4.44Å; V12-M63 HydrophobicContact CG1-SD 3.52Å; V12-M63 VanDerWaalsContact CG1-SD 3.52Å
13Q87.1Confident84.9Confident108 Ų10879.8 Ų79.851%0.50544%0.441SS..EExtended strand (participates in β ladder)trans-91.1-42177-62.8-164.2-15.100111.9S11 V31 K33S11-Q13 PolarHBondContact O-N 3.08Å; Q13-V31 PolarHBondContact N-O 2.88Å; Q13-K33 HydrophobicContact CG-CB 4.13Å; Q13-K33 VanDerWaalsContact NE2-CB 3.32Å; Q13-K33 VanDerWaalsContact NE2-CD 3.3Å
14H87.4Confident84.7Confident98 Ų9877.7 Ų77.745%0.45443%0.428SS..EExtended strand (participates in β ladder)trans-145.3144.3-176.4-163.762000110.5V31H14-V31 HydrophobicContact CB-CB 4.02Å; H14-V31 HydrophobicContact CB-CG2 4.18Å; H14-V31 PolarHBondContact N-O 3.09Å; H14-V31 PolarHBondContact O-N 2.79Å
15C90.9Very high84.6Confident3 Ų374.7 Ų74.72%0.0241%0.413CS..EExtended strand (participates in β ladder)trans-132.7135172.1-175.30000106.2A29 L30 H56 V59 M63C15-A29 CarbonylContact C-O 3.59Å; C15-A29 WeakPolarHBondContact CA-O 3.46Å; C15-L30 HydrophobicContact CB-CD1 3.94Å; C15-H56 VanDerWaalsContact C-CD2 3.48Å; C15-H56 PolarHBondContact O-CD2 3.37Å; C15-H56 PolarHBondContact O-NE2 3.48Å; C15-H56 VanDerWaalsContact O-NE2 3.09Å; C15-V59 HydrophobicContact CB-CG1 3.91Å; C15-M63 HydrophobicContact CB-CE 3.76Å
16Q91.9Very high84.8Confident99 Ų9969.2 Ų69.246%0.46339%0.387SS..EExtended strand (participates in β ladder)trans-140.9134.1178.5-175.1173.2700110.1V18 A29Q16-V18 HydrophobicContact CG-CG2 4.39Å; Q16-A29 HydrophobicContact CB-CB 4.48Å; Q16-A29 PolarHBondContact N-O 2.99Å; Q16-A29 PolarHBondContact O-N 3.25Å
17A91.3Very high85.2Confident27 Ų2765.4 Ų65.422%0.22337%0.367CS..EExtended strand (participates in β ladder)trans-94.1134.1167.100000110.3A52 N53 H56A17-A52 HydrophobicContact CB-CB 4.15Å; A17-A52 WeakPolarHBondContact CB-O 3.31Å; A17-N53 HydrophobicContact CB-CB 4.27Å; A17-H56 HydrophobicContact CB-CB 3.65Å
18V88.4Confident85.3Confident50 Ų5063.6 Ų63.630%0.30336%0.359SS..EExtended strand (participates in β ladder)trans-120.4117.5172.2-1720000107.3Q16 A21 I27Q16-V18 HydrophobicContact CG-CG2 4.39Å; V18-A21 HydrophobicContact CG1-CB 3.33Å; V18-I27 HydrophobicContact CB-CB 4.49Å; V18-I27 PolarHBondContact N-O 3.49Å; V18-I27 PolarHBondContact O-N 2.96Å
19M86.3Confident85.5Confident71 Ų7161.6 Ų61.635%0.3535%0.347SS..EExtended strand (participates in β ladder)trans-102.6141.9179.2-58.4-59-61.500109A21 D25 S26 K51 A52 N53M19-A21 PolarHBondContact O-N 3.49Å; M19-D25 WeakPolarHBondContact CE-O 3.38Å; M19-S26 WeakPolarHBondContact CE-OG 3.36Å; M19-S26 PolarHBondContact SD-OG 2.79Å; M19-K51 HydrophobicContact CE-CB 4.09Å; M19-K51 HydrophobicContact CE-CD 4.28Å; M19-K51 HydrophobicContact CE-CG 4.34Å; M19-A52 HydrophobicContact SD-CB 4.39Å; M19-N53 HydrophobicContact CG-CB 4.38Å; M19-N53 HydrophobicContact SD-CB 4.06Å
20N81.4Confident85.8Confident132 Ų13259.3 Ų59.371%0.70634%0.336SS*.EExtended strand (participates in β ladder)trans51.749.9174.8-52.1-26.5000113.1D25N20-D25 PolarHBondContact N-O 2.92Å; N20-D25 VanDerWaalsContact N-O 3.09Å
21A69.3Low86.2Confident28 Ų2855.5 Ų55.523%0.23131%0.308CS..EExtended strand (participates in β ladder)trans-114.6131177.900000111V18 M19 S23 Y24V18-A21 HydrophobicContact CG1-CB 3.33Å; M19-A21 PolarHBondContact O-N 3.49Å; A21-S23 PolarHBondContact O-N 3.04Å; A21-Y24 PolarHBondContact N-O 3.43Å; A21-Y24 VanDerWaalsContact N-O 3.17Å; A21-Y24 PolarHBondContact O-N 3.28Å; A21-Y24 VanDerWaalsContact O-N 3.15Å
22C70.9Confident86.3Confident135 Ų13555.5 Ų55.591%0.91231%0.307SS*.THydrogen-bonded Turntrans56-127.9-175.3-56.60000111.3
23S73.9Confident86.3Confident88 Ų8858.9 Ų58.962%0.61532%0.321SS*.THydrogen-bonded Turntrans-91.68.8178.6540000113.7A21A21-S23 PolarHBondContact O-N 3.04Å
24Y78.4Confident86.2Confident100 Ų10057.4 Ų57.439%0.39232%0.317SS..EExtended strand (participates in β ladder)trans-122.9127.1-171.7-57.5-78.2000111.5A21 S26 I27 Q46A21-Y24 PolarHBondContact N-O 3.43Å; A21-Y24 VanDerWaalsContact N-O 3.17Å; A21-Y24 PolarHBondContact O-N 3.28Å; A21-Y24 VanDerWaalsContact O-N 3.15Å; Y24-S26 VanDerWaalsContact C-N 3.32Å; Y24-S26 PolarHBondContact O-N 3.12Å; Y24-I27 HydrophobicContact CD2-CD1 3.76Å; Y24-I27 HydrophobicContact CD2-CG1 4.41Å; Y24-I27 HydrophobicContact CG-CD1 3.94Å; Y24-I27 HydrophobicContact CG-CG1 4.12Å; Y24-Q46 HydrophobicContact CD1-CG 4.1Å; Y24-Q46 VanDerWaalsContact CD1-OE1 3.23Å
25D81.1Confident85.6Confident107 Ų10759.4 Ų59.457%0.57234%0.342SS*.EExtended strand (participates in β ladder)trans-71.8-28.2-179.5-68.3-16.6000112.5M19 N20M19-D25 WeakPolarHBondContact CE-O 3.38Å; N20-D25 PolarHBondContact N-O 2.92Å; N20-D25 VanDerWaalsContact N-O 3.09Å
26S90.5Very high84.8Confident1 Ų162.9 Ų62.91%0.00738%0.379CS..EExtended strand (participates in β ladder)trans-152.5109-175.2-139.80000112.2M19 Y24 Q46 C47 A52M19-S26 WeakPolarHBondContact CE-OG 3.36Å; M19-S26 PolarHBondContact SD-OG 2.79Å; Y24-S26 VanDerWaalsContact C-N 3.32Å; Y24-S26 PolarHBondContact O-N 3.12Å; S26-Q46 WeakPolarHBondContact O-CA 3.35Å; S26-C47 WeakPolarHBondContact CB-O 3.27Å; S26-C47 PolarHBondContact O-N 3.27Å; S26-A52 VanDerWaalsContact OG-CB 3.26Å; S26-A52 WeakPolarHBondContact OG-CB 3.5Å; S26-A52 PolarHBondContact OG-N 2.82Å
27I93.1Very high84.2Confident29 Ų2961.6 Ų61.615%0.14937%0.372CS..EExtended strand (participates in β ladder)trans-116.7131.6175.8-61165.4000109.7V18 Y24 L44 F45 A52V18-I27 HydrophobicContact CB-CB 4.49Å; V18-I27 PolarHBondContact N-O 3.49Å; V18-I27 PolarHBondContact O-N 2.96Å; Y24-I27 HydrophobicContact CD2-CD1 3.76Å; Y24-I27 HydrophobicContact CD2-CG1 4.41Å; Y24-I27 HydrophobicContact CG-CD1 3.94Å; Y24-I27 HydrophobicContact CG-CG1 4.12Å; I27-L44 HydrophobicContact CG2-CB 4.5Å; I27-L44 HydrophobicContact CG2-CD2 4.15Å; I27-F45 CarbonylContact C-O 3.48Å; I27-F45 WeakPolarHBondContact CA-O 3.32Å; I27-A52 VanDerWaalsContact C-CB 3.5Å; I27-A52 WeakPolarHBondContact O-CB 3.48Å
28L92.1Very high83.6Confident13 Ų1365.6 Ų65.67%0.06840%0.399CS..EExtended strand (participates in β ladder)trans-102.8121.2168-171.274.9000109.6L44 F45 A52 I55 H56L28-L44 WeakPolarHBondContact O-CA 3.23Å; L28-F45 HydrophobicContact CB-CB 4.32Å; L28-F45 HydrophobicContact CD2-CD2 4.47Å; L28-F45 PolarHBondContact N-O 3.44Å; L28-F45 PolarHBondContact O-N 3.41Å; L28-A52 HydrophobicContact CB-CB 4.07Å; L28-A52 HydrophobicContact CD1-CB 4.46Å; L28-I55 HydrophobicContact CD1-CG2 4.44Å; L28-I55 HydrophobicContact CD2-CB 4.39Å; L28-I55 HydrophobicContact CD2-CG2 3.64Å; L28-H56 HydrophobicContact CD1-CB 3.95Å
29A93.1Very high83.3Confident13 Ų1371 Ų7111%0.10742%0.418CS..EExtended strand (participates in β ladder)trans-102.9122.6173.600000110.1C15 Q16 L42 H43 L44C15-A29 CarbonylContact C-O 3.59Å; C15-A29 WeakPolarHBondContact CA-O 3.46Å; Q16-A29 HydrophobicContact CB-CB 4.48Å; Q16-A29 PolarHBondContact N-O 2.99Å; Q16-A29 PolarHBondContact O-N 3.25Å; A29-L42 HydrophobicContact CB-CD1 4.17Å; A29-H43 WeakPolarHBondContact CA-O 3.26Å; A29-L44 HydrophobicContact CB-CD2 3.61Å
30L93.2Very high83.5Confident13 Ų1369.7 Ų69.77%0.06842%0.419CS..EExtended strand (participates in β ladder)trans-119.4122.2179.2-164.473.1000109.5F7 V12 C15 C32 H43 F45 V59F7-L30 HydrophobicContact CB-CD2 4.4Å; F7-L30 HydrophobicContact CD2-CD2 4.16Å; F7-L30 HydrophobicContact CG-CD2 4.14Å; V12-L30 HydrophobicContact CG1-CD1 3.5Å; V12-L30 VanDerWaalsContact CG1-CD1 3.5Å; V12-L30 HydrophobicContact CG1-CG 4.2Å; V12-L30 HydrophobicContact CG2-CD1 4.34Å; V12-L30 HydrophobicContact CG2-CD2 4.46Å; C15-L30 HydrophobicContact CB-CD1 3.94Å; L30-C32 VanDerWaalsContact CD2-SG 3.57Å; L30-H43 HydrophobicContact CB-CB 4.37Å; L30-H43 PolarHBondContact N-O 2.82Å; L30-H43 PolarHBondContact O-N 3.37Å; L30-F45 HydrophobicContact CB-CE2 4.24Å; L30-V59 HydrophobicContact CD1-CG1 4.27Å
31V92.4Very high83.9Confident37 Ų3766.6 Ų66.622%0.22440%0.402CS..EExtended strand (participates in β ladder)trans-103111.7175.6-176.60000108.6Q13 H14 A40 D41 L42Q13-V31 PolarHBondContact N-O 2.88Å; H14-V31 HydrophobicContact CB-CB 4.02Å; H14-V31 HydrophobicContact CB-CG2 4.18Å; H14-V31 PolarHBondContact N-O 3.09Å; H14-V31 PolarHBondContact O-N 2.79Å; V31-A40 HydrophobicContact CG1-CB 3.82Å; V31-D41 WeakPolarHBondContact CA-O 3.24Å; V31-L42 HydrophobicContact CG2-CD1 3.89Å
32C90.3Very high84.9Confident4 Ų470.6 Ų70.63%0.02742%0.419CS..EExtended strand (participates in β ladder)trans-112.9141.2-177.8-71.30000110.3F7 S11 L30 A40 D41F7-C32 HydrophobicContact CD1-CB 4.16Å; F7-C32 VanDerWaalsContact CD1-SG 3.56Å; S11-C32 CarbonylContact O-C 3.55Å; S11-C32 WeakPolarHBondContact O-CA 3.29Å; L30-C32 VanDerWaalsContact CD2-SG 3.57Å; C32-A40 CarbonylContact O-C 3.56Å; C32-A40 VanDerWaalsContact O-CA 3.31Å; C32-A40 WeakPolarHBondContact O-CA 3.33Å; C32-A40 WeakPolarHBondContact O-CB 3.41Å; C32-D41 PolarHBondContact N-O 2.75Å; C32-D41 PolarHBondContact O-N 2.75Å
33K88.3Confident85.9Confident80 Ų8065.8 Ų65.835%0.34838%0.383SS..  trans-140.6110.4171.9-172.1-176.6-178.2176.60109.7S11 Q13 Q37 A40S11-K33 WeakPolarHBondContact CB-O 3.32Å; S11-K33 PolarHBondContact O-N 3.27Å; Q13-K33 HydrophobicContact CG-CB 4.13Å; Q13-K33 VanDerWaalsContact NE2-CB 3.32Å; Q13-K33 VanDerWaalsContact NE2-CD 3.3Å; K33-Q37 WeakPolarHBondContact CE-O 3.47Å; K33-A40 HydrophobicContact CB-CB 3.93Å; K33-A40 HydrophobicContact CG-CB 4.35Å
34D85.3Confident86.7Confident77 Ų7767 Ų6741%0.41238%0.382SS..  trans-77.8155.1172.8-77.5-24.8000111.8S11 G36 Q37S11-D34 WeakPolarHBondContact CB-OD1 3.09Å; S11-D34 PolarHBondContact OG-OD1 3.25Å; D34-G36 PolarHBondContact O-N 2.71Å; D34-G36 VanDerWaalsContact O-N 3.08Å; D34-Q37 HydrophobicContact CB-CG 4.34Å; D34-Q37 PolarHBondContact O-N 3.45Å
35S76.1Confident87.3Confident140 Ų14065.8 Ų65.898%0.97938%0.379SS*.THydrogen-bonded Turntrans-61.3-19.6-177.251.30000113.8
36G73.4Confident87.7Confident77 Ų7765.8 Ų65.879%0.79438%0.375SS*.THydrogen-bonded Turntrans-90.8-8.3175.400000115.2D34D34-G36 PolarHBondContact O-N 2.71Å; D34-G36 VanDerWaalsContact O-N 3.08Å
37Q80.3Confident87.4Confident71 Ų7166.3 Ų66.333%0.33238%0.379SS..  trans-99.3135.4-175-67.1-178.3-35.100112.3K33 D34 K39 D41K33-Q37 WeakPolarHBondContact CE-O 3.47Å; D34-Q37 HydrophobicContact CB-CG 4.34Å; D34-Q37 PolarHBondContact O-N 3.45Å; Q37-K39 WeakPolarHBondContact CB-O 3.32Å; Q37-D41 PolarHBondContact NE2-OD2 2.75Å; Q37-D41 PolarHBondContact OE1-OD2 2.75Å
38S77.3Confident86.8Confident111 Ų11170 Ų7078%0.77640%0.399SS*.SBendtrans-76.1-29.2176.560.80000112.5
39K83.4Confident86.1Confident165 Ų16576.8 Ų76.872%0.71744%0.435SS*.SBendtrans-118.6154.7179.3-64.8-177.6178.9-1790110.1Q37Q37-K39 WeakPolarHBondContact CB-O 3.32Å
40A89.4Confident85.7Confident43 Ų4379.9 Ų79.936%0.35545%0.449SS..  trans-87.8144.9172.900000109.6V31 C32 K33V31-A40 HydrophobicContact CG1-CB 3.82Å; C32-A40 CarbonylContact O-C 3.56Å; C32-A40 VanDerWaalsContact O-CA 3.31Å; C32-A40 WeakPolarHBondContact O-CA 3.33Å; C32-A40 WeakPolarHBondContact O-CB 3.41Å; K33-A40 HydrophobicContact CB-CB 3.93Å; K33-A40 HydrophobicContact CG-CB 4.35Å
41D89.1Confident85.4Confident67 Ų6783 Ų8336%0.35846%0.462SS..EExtended strand (participates in β ladder)trans-97.1142.4176.4-66.3-32.3000110V31 C32 Q37V31-D41 WeakPolarHBondContact CA-O 3.24Å; C32-D41 PolarHBondContact N-O 2.75Å; C32-D41 PolarHBondContact O-N 2.75Å; Q37-D41 PolarHBondContact NE2-OD2 2.75Å; Q37-D41 PolarHBondContact OE1-OD2 2.75Å
42L91.6Very high85.3Confident111 Ų11181.2 Ų81.258%0.58145%0.452SS*.EExtended strand (participates in β ladder)trans-107.5118.2176.1173.965.5000108.7A29 V31 L44A29-L42 HydrophobicContact CB-CD1 4.17Å; V31-L42 HydrophobicContact CG2-CD1 3.89Å; L42-L44 HydrophobicContact CD1-CD2 4.22Å; L42-L44 HydrophobicContact CD2-CD2 4.48Å; L42-L44 HydrophobicContact CG-CD2 4.33Å; L42-L44 HydrophobicContact CG-CG 4.39Å
43H90.9Very high85.1Confident34 Ų3484 Ų8416%0.15747%0.466CS..EExtended strand (participates in β ladder)trans-106.7130.2175.2-56-99.7000109.1E5 F7 A29 L30 F45E5-H43 IonicContact OE1-CE1 2.64Å; E5-H43 PolarHBondContact OE1-CE1 3.3Å; F7-H43 AromaticContact CE1-CD2 3.89Å; F7-H43 AromaticContact CE1-CE1 3.47Å; F7-H43 VanDerWaalsContact CE1-CE1 3.47Å; F7-H43 WeakPolarHBondContact CE1-CE1 3.47Å; F7-H43 AromaticContact CE1-ND1 3.89Å; F7-H43 AromaticContact CE1-NE2 3.46Å; F7-H43 WeakPolarHBondContact CE1-NE2 3.43Å; F7-H43 AromaticContact CZ-CE1 3.59Å; F7-H43 AromaticContact CZ-CG 3.94Å; F7-H43 AromaticContact CZ-ND1 3.58Å; F7-H43 AromaticContact CZ-NE2 3.97Å; A29-H43 WeakPolarHBondContact CA-O 3.26Å; L30-H43 HydrophobicContact CB-CB 4.37Å; L30-H43 PolarHBondContact N-O 2.82Å; L30-H43 PolarHBondContact O-N 3.37Å; H43-F45 HydrophobicContact CB-CD2 4.48Å; H43-F45 HydrophobicContact CB-CE2 3.55Å; H43-F45 HydrophobicContact CB-CZ 3.77Å
44L90.7Very high85.1Confident113 Ų11381.8 Ų81.859%0.59246%0.458SS*.EExtended strand (participates in β ladder)trans-115.4128177.5-63.8176.6000108.9I27 L28 A29 L42I27-L44 HydrophobicContact CG2-CB 4.5Å; I27-L44 HydrophobicContact CG2-CD2 4.15Å; L28-L44 WeakPolarHBondContact O-CA 3.23Å; A29-L44 HydrophobicContact CB-CD2 3.61Å; L42-L44 HydrophobicContact CD1-CD2 4.22Å; L42-L44 HydrophobicContact CD2-CD2 4.48Å; L42-L44 HydrophobicContact CG-CD2 4.33Å; L42-L44 HydrophobicContact CG-CG 4.39Å
45F91.2Very high85.3Confident76 Ų7680.6 Ų80.633%0.33345%0.451SS..EExtended strand (participates in β ladder)trans-122.9131.3178.2-54.3-86.7000109.7F7 I27 L28 L30 H43F7-F45 HydrophobicContact CE2-CZ 4.16Å; I27-F45 CarbonylContact C-O 3.48Å; I27-F45 WeakPolarHBondContact CA-O 3.32Å; L28-F45 HydrophobicContact CB-CB 4.32Å; L28-F45 HydrophobicContact CD2-CD2 4.47Å; L28-F45 PolarHBondContact N-O 3.44Å; L28-F45 PolarHBondContact O-N 3.41Å; L30-F45 HydrophobicContact CB-CE2 4.24Å; H43-F45 HydrophobicContact CB-CD2 4.48Å; H43-F45 HydrophobicContact CB-CE2 3.55Å; H43-F45 HydrophobicContact CB-CZ 3.77Å
46Q89.8Confident86Confident106 Ų10675.6 Ų75.650%0.49541%0.412SS..EExtended strand (participates in β ladder)trans-82.9134.6166179.3179.3-11.900109Y24 S26 D48Y24-Q46 HydrophobicContact CD1-CG 4.1Å; Y24-Q46 VanDerWaalsContact CD1-OE1 3.23Å; S26-Q46 WeakPolarHBondContact O-CA 3.35Å; Q46-D48 PolarHBondContact NE2-OD1 3.07Å
47C85.5Confident86.7Confident13 Ų1375.5 Ų75.59%0.08839%0.393CS..  trans-120.4108.8-176.8-520000111.3S26 I50 A52 I55S26-C47 WeakPolarHBondContact CB-O 3.27Å; S26-C47 PolarHBondContact O-N 3.27Å; C47-I50 WeakPolarHBondContact CB-O 3.37Å; C47-A52 HydrophobicContact CB-CB 4.25Å; C47-I55 HydrophobicContact CB-CD1 4.06Å
48D78.8Confident87.2Confident105 Ų10573.3 Ų73.356%0.56138%0.384SS*.SBendtrans-91.5-58.1-174.7-58.6-39.2000112Q46Q46-D48 PolarHBondContact NE2-OD1 3.07Å
49D79.1Confident87.8Confident156 Ų15669.3 Ų69.383%0.83436%0.355SS*.SBendtrans-70.5-56.9-176.3-66.4-36.9000112.7
50I83.7Confident88Confident78 Ų7865.3 Ų65.340%0.434%0.338SS..SBendtrans-104.7118.8177.4-56.9177.7000107.7C47 L54 I55C47-I50 WeakPolarHBondContact CB-O 3.37Å; I50-L54 HydrophobicContact CG2-CB 4.03Å; I50-L54 HydrophobicContact CG2-CD1 4.27Å; I50-I55 HydrophobicContact CB-CD1 4.25Å; I50-I55 HydrophobicContact CB-CG1 4.31Å; I50-I55 HydrophobicContact CG2-CD1 4.24Å; I50-I55 HydrophobicContact CG2-CG1 3.77Å; I50-I55 WeakPolarHBondContact O-CD1 3.5Å
51K87Confident87.9Confident79 Ų7963.5 Ų63.534%0.34332%0.323SS..  trans-61.9141.5-178.1-61.6-56.6-178.7-168.20112.1M19 N53 L54 I55M19-K51 HydrophobicContact CE-CB 4.09Å; M19-K51 HydrophobicContact CE-CD 4.28Å; M19-K51 HydrophobicContact CE-CG 4.34Å; K51-N53 WeakPolarHBondContact CB-OD1 3.49Å; K51-N53 PolarHBondContact O-N 3.05Å; K51-N53 VanDerWaalsContact O-N 3.12Å; K51-N53 PolarHBondContact O-OD1 3.37Å; K51-L54 WeakPolarHBondContact O-CB 3.47Å; K51-L54 PolarHBondContact O-N 2.91Å; K51-I55 PolarHBondContact O-N 3.43Å
52A90Very high87.9Confident0 Ų060.6 Ų60.60%031%0.308CS..Hα-helixtrans-55.9-31.3-175.600000113A17 M19 S26 I27 L28 C47 L54 I55 H56A17-A52 HydrophobicContact CB-CB 4.15Å; A17-A52 WeakPolarHBondContact CB-O 3.31Å; M19-A52 HydrophobicContact SD-CB 4.39Å; S26-A52 VanDerWaalsContact OG-CB 3.26Å; S26-A52 WeakPolarHBondContact OG-CB 3.5Å; S26-A52 PolarHBondContact OG-N 2.82Å; I27-A52 VanDerWaalsContact C-CB 3.5Å; I27-A52 WeakPolarHBondContact O-CB 3.48Å; L28-A52 HydrophobicContact CB-CB 4.07Å; L28-A52 HydrophobicContact CD1-CB 4.46Å; C47-A52 HydrophobicContact CB-CB 4.25Å; A52-L54 VanDerWaalsContact C-N 3.32Å; A52-L54 PolarHBondContact O-N 2.97Å; A52-I55 PolarHBondContact O-N 3.31Å; A52-H56 WeakPolarHBondContact O-CB 3.15Å; A52-H56 PolarHBondContact O-N 3.35Å
53N86.9Confident87.6Confident63 Ų6356.2 Ų56.234%0.33729%0.285SS..Hα-helixtrans-61.4-37.2174.366.8-41000112.8A17 M19 K51 L57A17-N53 HydrophobicContact CB-CB 4.27Å; M19-N53 HydrophobicContact CG-CB 4.38Å; M19-N53 HydrophobicContact SD-CB 4.06Å; K51-N53 WeakPolarHBondContact CB-OD1 3.49Å; K51-N53 PolarHBondContact O-N 3.05Å; K51-N53 VanDerWaalsContact O-N 3.12Å; K51-N53 PolarHBondContact O-OD1 3.37Å; N53-L57 VanDerWaalsContact O-CG 3.26Å; N53-L57 WeakPolarHBondContact O-CG 3.47Å; N53-L57 PolarHBondContact O-N 3.5Å
54L87.4Confident87.3Confident33 Ų3358.2 Ų58.217%0.17330%0.296CS..Hα-helixtrans-73-41.4177.5-58.4177.1000110.9I50 K51 A52 L57 D58 I81I50-L54 HydrophobicContact CG2-CB 4.03Å; I50-L54 HydrophobicContact CG2-CD1 4.27Å; K51-L54 WeakPolarHBondContact O-CB 3.47Å; K51-L54 PolarHBondContact O-N 2.91Å; A52-L54 VanDerWaalsContact C-N 3.32Å; A52-L54 PolarHBondContact O-N 2.97Å; L54-L57 PolarHBondContact O-N 3.01Å; L54-D58 PolarHBondContact O-N 3.48Å; L54-I81 HydrophobicContact CB-CG1 4.36Å; L54-I81 HydrophobicContact CB-CG2 4.22Å; L54-I81 HydrophobicContact CD1-CG2 4.4Å; L54-I81 HydrophobicContact CD2-CG1 4.34Å; L54-I81 VanDerWaalsContact O-CD1 3.28Å; L54-I81 WeakPolarHBondContact O-CD1 3.22Å
55I89.4Confident87Confident52 Ų5254.9 Ų54.927%0.26728%0.279SS..Hα-helixtrans-65.3-42.9177-57.9169.8000110.5L28 C47 I50 K51 A52 L57 D58 V59L28-I55 HydrophobicContact CD1-CG2 4.44Å; L28-I55 HydrophobicContact CD2-CB 4.39Å; L28-I55 HydrophobicContact CD2-CG2 3.64Å; C47-I55 HydrophobicContact CB-CD1 4.06Å; I50-I55 HydrophobicContact CB-CD1 4.25Å; I50-I55 HydrophobicContact CB-CG1 4.31Å; I50-I55 HydrophobicContact CG2-CD1 4.24Å; I50-I55 HydrophobicContact CG2-CG1 3.77Å; I50-I55 WeakPolarHBondContact O-CD1 3.5Å; K51-I55 PolarHBondContact O-N 3.43Å; A52-I55 PolarHBondContact O-N 3.31Å; I55-L57 PolarHBondContact O-N 3Å; I55-D58 PolarHBondContact O-N 3.27Å; I55-V59 HydrophobicContact CG2-CG2 4.3Å; I55-V59 WeakPolarHBondContact O-CG2 3.48Å; I55-V59 PolarHBondContact O-N 3.32Å
56H91.4Very high86.6Confident34 Ų3454.5 Ų54.516%0.15729%0.29CS..Hα-helixtrans-55.6-47.5174.1166.6-91.1000112C15 A17 L28 A52 D58 V59 E60C15-H56 VanDerWaalsContact C-CD2 3.48Å; C15-H56 PolarHBondContact O-CD2 3.37Å; C15-H56 PolarHBondContact O-NE2 3.48Å; C15-H56 VanDerWaalsContact O-NE2 3.09Å; A17-H56 HydrophobicContact CB-CB 3.65Å; L28-H56 HydrophobicContact CD1-CB 3.95Å; A52-H56 WeakPolarHBondContact O-CB 3.15Å; A52-H56 PolarHBondContact O-N 3.35Å; H56-D58 VanDerWaalsContact C-N 3.33Å; H56-D58 PolarHBondContact O-N 2.86Å; H56-V59 PolarHBondContact O-N 3.44Å; H56-E60 IonicContact CE1-OE2 2.82Å; H56-E60 PolarHBondContact CE1-OE2 3.23Å; H56-E60 VanDerWaalsContact O-CB 3.26Å; H56-E60 WeakPolarHBondContact O-CB 3.48Å; H56-E60 PolarHBondContact O-N 3.5Å
57L87.9Confident86.1Confident75 Ų7557.3 Ų57.339%0.39330%0.301SS..Hα-helixtrans-60.9-39.8178.4-72.8169.3000112.3N53 L54 I55 S61 T77N53-L57 VanDerWaalsContact O-CG 3.26Å; N53-L57 WeakPolarHBondContact O-CG 3.47Å; N53-L57 PolarHBondContact O-N 3.5Å; L54-L57 PolarHBondContact O-N 3.01Å; I55-L57 PolarHBondContact O-N 3Å; L57-S61 WeakPolarHBondContact O-CB 3.34Å; L57-S61 PolarHBondContact O-N 2.74Å; L57-S61 PolarHBondContact O-OG 3.25Å; L57-T77 HydrophobicContact CB-CG2 3.97Å
58D89.8Confident85.2Confident26 Ų2660 Ų6014%0.13933%0.33CS..Hα-helixtrans-64.6-50.7174.7-177.642.7000111.4L54 I55 H56 E60 S61 A62 R74 L78 I81L54-D58 PolarHBondContact O-N 3.48Å; I55-D58 PolarHBondContact O-N 3.27Å; H56-D58 VanDerWaalsContact C-N 3.33Å; H56-D58 PolarHBondContact O-N 2.86Å; D58-E60 PolarHBondContact O-N 3.1Å; D58-S61 PolarHBondContact O-N 2.91Å; D58-S61 PolarHBondContact O-OG 2.98Å; D58-A62 PolarHBondContact O-N 3.1Å; D58-R74 VanDerWaalsContact OD1-CG 3.32Å; D58-R74 WeakPolarHBondContact OD1-CG 3.24Å; D58-R74 IonicContact OD1-CZ 3.12Å; D58-R74 IonicContact OD1-NE 3.15Å; D58-R74 PolarHBondContact OD1-NE 3.05Å; D58-R74 IonicContact OD1-NH2 3.29Å; D58-R74 IonicContact OD2-CZ 2.64Å; D58-R74 IonicContact OD2-NE 2.8Å; D58-R74 IonicContact OD2-NH2 3.37Å; D58-R74 PolarHBondContact OD2-NH2 3.4Å; D58-L78 HydrophobicContact CB-CD2 4.27Å; D58-L78 WeakPolarHBondContact OD1-CD2 3.26Å; D58-I81 HydrophobicContact CB-CD1 4.11Å
59V90.1Very high84.3Confident27 Ų2757.5 Ų57.516%0.16433%0.329CS..Hα-helixtrans-62.4-42-178.9175.20000111.5C15 L30 I55 H56 A62 M63C15-V59 HydrophobicContact CB-CG1 3.91Å; L30-V59 HydrophobicContact CD1-CG1 4.27Å; I55-V59 HydrophobicContact CG2-CG2 4.3Å; I55-V59 WeakPolarHBondContact O-CG2 3.48Å; I55-V59 PolarHBondContact O-N 3.32Å; H56-V59 PolarHBondContact O-N 3.44Å; V59-A62 WeakPolarHBondContact O-CB 3.5Å; V59-A62 PolarHBondContact O-N 3.14Å; V59-M63 HydrophobicContact CG1-CE 4.39Å; V59-M63 WeakPolarHBondContact O-CG 3.3Å; V59-M63 PolarHBondContact O-N 3.08Å
60E88.6Confident83.4Confident81 Ų8160.7 Ų60.738%0.37934%0.336SS..Hα-helixtrans-62.9-44.2176.3-173.7177.6-150.300111.4H56 D58 A62 M63 I64H56-E60 IonicContact CE1-OE2 2.82Å; H56-E60 PolarHBondContact CE1-OE2 3.23Å; H56-E60 VanDerWaalsContact O-CB 3.26Å; H56-E60 WeakPolarHBondContact O-CB 3.48Å; H56-E60 PolarHBondContact O-N 3.5Å; D58-E60 PolarHBondContact O-N 3.1Å; E60-A62 VanDerWaalsContact C-N 3.29Å; E60-A62 PolarHBondContact O-N 2.88Å; E60-M63 HydrophobicContact CB-CE 4.44Å; E60-M63 PolarHBondContact O-N 3.44Å; E60-I64 HydrophobicContact CG-CD1 4.13Å; E60-I64 VanDerWaalsContact O-CG1 3.31Å; E60-I64 WeakPolarHBondContact O-CG1 3.17Å; E60-I64 PolarHBondContact O-N 2.94Å
61S87.6Confident82.5Confident5 Ų561.5 Ų61.54%0.03534%0.344CS..Hα-helixtrans-63.2-35.3175.974.80000112.5L57 D58 I64 D65 R74L57-S61 WeakPolarHBondContact O-CB 3.34Å; L57-S61 PolarHBondContact O-N 2.74Å; L57-S61 PolarHBondContact O-OG 3.25Å; D58-S61 PolarHBondContact O-N 2.91Å; D58-S61 PolarHBondContact O-OG 2.98Å; S61-I64 PolarHBondContact O-N 3.45Å; S61-D65 WeakPolarHBondContact O-CB 3.34Å; S61-D65 VanDerWaalsContact O-CG 3.29Å; S61-D65 PolarHBondContact O-N 3.3Å; S61-R74 VanDerWaalsContact OG-CA 3.31Å; S61-R74 WeakPolarHBondContact OG-CA 3.39Å; S61-R74 WeakPolarHBondContact OG-CB 3.41Å; S61-R74 WeakPolarHBondContact OG-CG 3.48Å
62A88.1Confident81.8Confident6 Ų667.1 Ų67.15%0.0536%0.363CS..Hα-helixtrans-67.3-40.9173.800000112.5I9 D58 V59 E60 I64 D65 A66I9-A62 HydrophobicContact CD1-CB 4.2Å; D58-A62 PolarHBondContact O-N 3.1Å; V59-A62 WeakPolarHBondContact O-CB 3.5Å; V59-A62 PolarHBondContact O-N 3.14Å; E60-A62 VanDerWaalsContact C-N 3.29Å; E60-A62 PolarHBondContact O-N 2.88Å; A62-I64 VanDerWaalsContact C-N 3.34Å; A62-D65 PolarHBondContact O-N 2.74Å; A62-A66 WeakPolarHBondContact O-CB 3.16Å; A62-A66 PolarHBondContact O-N 3.08Å
63M85.5Confident81.1Confident19 Ų1972.4 Ų72.49%0.09439%0.386CS..Hα-helixtrans-63.9-39.1175.1-73.7-167.1-71.500112I9 V12 C15 V59 E60 A66 K67I9-M63 HydrophobicContact CG2-CG 4.3Å; V12-M63 HydrophobicContact CB-SD 4.05Å; V12-M63 HydrophobicContact CG1-CE 4.45Å; V12-M63 HydrophobicContact CG1-CG 4.44Å; V12-M63 HydrophobicContact CG1-SD 3.52Å; V12-M63 VanDerWaalsContact CG1-SD 3.52Å; C15-M63 HydrophobicContact CB-CE 3.76Å; V59-M63 HydrophobicContact CG1-CE 4.39Å; V59-M63 WeakPolarHBondContact O-CG 3.3Å; V59-M63 PolarHBondContact O-N 3.08Å; E60-M63 HydrophobicContact CB-CE 4.44Å; E60-M63 PolarHBondContact O-N 3.44Å; M63-A66 PolarHBondContact O-N 2.89Å; M63-K67 WeakPolarHBondContact O-CG 3.15Å; M63-K67 PolarHBondContact O-N 2.8Å
64I84.1Confident80.8Confident76 Ų7673.9 Ų73.939%0.3939%0.387SS..Hα-helixtrans-66.2-45.9176.4-67.7164.9000110.5E60 S61 A62 A66 K67 K73E60-I64 HydrophobicContact CG-CD1 4.13Å; E60-I64 VanDerWaalsContact O-CG1 3.31Å; E60-I64 WeakPolarHBondContact O-CG1 3.17Å; E60-I64 PolarHBondContact O-N 2.94Å; S61-I64 PolarHBondContact O-N 3.45Å; A62-I64 VanDerWaalsContact C-N 3.34Å; I64-A66 VanDerWaalsContact C-N 3.27Å; I64-A66 PolarHBondContact O-N 2.58Å; I64-K67 PolarHBondContact O-N 2.79Å; I64-K67 VanDerWaalsContact O-N 3.16Å; I64-K73 HydrophobicContact CG2-CD 4.39Å
65D85.1Confident80.4Confident42 Ų4275.1 Ų75.123%0.22540%0.397CS..Hα-helixtrans-62.3-35.4178.7-75.4-1.5000111.6S61 A62 R72 K73 R74S61-D65 WeakPolarHBondContact O-CB 3.34Å; S61-D65 VanDerWaalsContact O-CG 3.29Å; S61-D65 PolarHBondContact O-N 3.3Å; A62-D65 PolarHBondContact O-N 2.74Å; D65-R72 WeakPolarHBondContact OD1-CA 3.16Å; D65-K73 PolarHBondContact OD1-N 2.8Å; D65-K73 PolarHBondContact OD2-N 3.45Å; D65-R74 VanDerWaalsContact OD2-CB 3.24Å; D65-R74 WeakPolarHBondContact OD2-CB 3.49Å; D65-R74 PolarHBondContact OD2-N 3.18Å; D65-R74 VanDerWaalsContact OD2-N 3.07Å
66A82.4Confident79.8Confident68 Ų6878.5 Ų78.556%0.56241%0.412SS*.Hα-helixtrans-70.3-27.4176.600000114I9 A62 M63 I64 G68I9-A66 HydrophobicContact CG2-CB 3.61Å; A62-A66 WeakPolarHBondContact O-CB 3.16Å; A62-A66 PolarHBondContact O-N 3.08Å; M63-A66 PolarHBondContact O-N 2.89Å; I64-A66 VanDerWaalsContact C-N 3.27Å; I64-A66 PolarHBondContact O-N 2.58Å; A66-G68 VanDerWaalsContact C-N 3.3Å; A66-G68 PolarHBondContact O-N 2.84Å
67K79Confident79.1Confident166 Ų16678.3 Ų78.372%0.72241%0.413SS*.THydrogen-bonded Turntrans-82.6-0.7-179.9-73.3174-177.6174.10114.2M63 I64M63-K67 WeakPolarHBondContact O-CG 3.15Å; M63-K67 PolarHBondContact O-N 2.8Å; I64-K67 PolarHBondContact O-N 2.79Å; I64-K67 VanDerWaalsContact O-N 3.16Å
68G67.3Low78.7Confident68 Ų6877.9 Ų77.970%0.70141%0.411SS*.  trans91.587.7167.200000114.4A66A66-G68 VanDerWaalsContact C-N 3.3Å; A66-G68 PolarHBondContact O-N 2.84Å
69G60.8Low78.2Confident54 Ų5483 Ų8356%0.55743%0.432SS*.  trans-133.6147.116700000111.4V71G69-V71 PolarHBondContact O-N 2.93Å; G69-V71 VanDerWaalsContact O-N 3.1Å
70K59.5Low77.5Confident222 Ų22288.1 Ų88.197%0.96546%0.456SS*.SBendtrans-67.1-6.3-177.9-69.3-178.5179.7-179.90114.5
71V64.4Low76.9Confident95 Ų9585.4 Ų85.458%0.57644%0.444SS*.SBendtrans-124.8118.3-179.4-177.50000108.2G69 K73G69-V71 PolarHBondContact O-N 2.93Å; G69-V71 VanDerWaalsContact O-N 3.1Å; V71-K73 PolarHBondContact O-N 2.8Å
72R72.4Confident76.1Confident198 Ų19891.4 Ų91.475%0.74747%0.474SS*.  trans-77.3114.9175.5-67.6-175.2177.9-176.1-1.5109.1D65 P75D65-R72 WeakPolarHBondContact OD1-CA 3.16Å; R72-P75 HydrophobicContact CB-CG 4.12Å; R72-P75 WeakPolarHBondContact O-CD 3.18Å
73K75.6Confident75.2Confident110 Ų11099.4 Ų99.448%0.47851%0.508SS..  trans-87.9-26.3-178.2-65.7-172.3178.1-177.10112.5I64 D65 V71 P75 E76 T77I64-K73 HydrophobicContact CG2-CD 4.39Å; D65-K73 PolarHBondContact OD1-N 2.8Å; D65-K73 PolarHBondContact OD2-N 3.45Å; V71-K73 PolarHBondContact O-N 2.8Å; K73-P75 VanDerWaalsContact C-CD 3.49Å; K73-E76 PolarHBondContact O-N 2.94Å; K73-E76 VanDerWaalsContact O-N 3.16Å; K73-T77 PolarHBondContact O-N 3.48Å; K73-T77 VanDerWaalsContact O-N 3.12Å; K73-T77 PolarHBondContact O-OG1 3.39Å
74R80.4Confident74Confident94 Ų94102 Ų10236%0.35553%0.528SS..Hα-helixtrans-56.3-43.9-179.2-172.1177.7-169.8173.40.5114.7D58 S61 D65 E76 T77 L78D58-R74 VanDerWaalsContact OD1-CG 3.32Å; D58-R74 WeakPolarHBondContact OD1-CG 3.24Å; D58-R74 IonicContact OD1-CZ 3.12Å; D58-R74 IonicContact OD1-NE 3.15Å; D58-R74 PolarHBondContact OD1-NE 3.05Å; D58-R74 IonicContact OD1-NH2 3.29Å; D58-R74 IonicContact OD2-CZ 2.64Å; D58-R74 IonicContact OD2-NE 2.8Å; D58-R74 IonicContact OD2-NH2 3.37Å; D58-R74 PolarHBondContact OD2-NH2 3.4Å; S61-R74 VanDerWaalsContact OG-CA 3.31Å; S61-R74 WeakPolarHBondContact OG-CA 3.39Å; S61-R74 WeakPolarHBondContact OG-CB 3.41Å; S61-R74 WeakPolarHBondContact OG-CG 3.48Å; D65-R74 VanDerWaalsContact OD2-CB 3.24Å; D65-R74 WeakPolarHBondContact OD2-CB 3.49Å; D65-R74 PolarHBondContact OD2-N 3.18Å; D65-R74 VanDerWaalsContact OD2-N 3.07Å; R74-E76 PolarHBondContact O-N 3.3Å; R74-T77 PolarHBondContact O-N 3.03Å; R74-L78 HydrophobicContact CG-CD1 4.1Å; R74-L78 HydrophobicContact CG-CG 4.38Å; R74-L78 WeakPolarHBondContact O-CG 3.36Å; R74-L78 PolarHBondContact O-N 2.91Å
75P78.6Confident72.5Confident60 Ų60103.4 Ų103.439%0.3954%0.536SS..Hα-helixtrans-64.1-27.2179.7-21.133.7000113.8R72 K73 K79R72-P75 HydrophobicContact CB-CG 4.12Å; R72-P75 WeakPolarHBondContact O-CD 3.18Å; K73-P75 VanDerWaalsContact C-CD 3.49Å; P75-K79 WeakPolarHBondContact O-CD 3.35Å; P75-K79 VanDerWaalsContact O-CG 3.27Å; P75-K79 WeakPolarHBondContact O-CG 3.2Å; P75-K79 PolarHBondContact O-N 3.4Å
76E76.3Confident70.8Confident123 Ų123104.7 Ų104.758%0.57556%0.56SS**Hα-helixtrans-80.2-41.1177.5-64.1179.8173.700111K73 R74 K79 M80K73-E76 PolarHBondContact O-N 2.94Å; K73-E76 VanDerWaalsContact O-N 3.16Å; R74-E76 PolarHBondContact O-N 3.3Å; E76-K79 WeakPolarHBondContact O-CB 3.5Å; E76-K79 PolarHBondContact O-N 2.95Å; E76-M80 PolarHBondContact O-N 3.48Å; E76-M80 VanDerWaalsContact O-N 3.08Å
77T78.2Confident68.8Low30 Ų30109.6 Ų109.618%0.18457%0.573CS.*Hα-helixtrans-59.6-46.6173.7-56.50000111.7L57 K73 R74 K79 M80 I81L57-T77 HydrophobicContact CB-CG2 3.97Å; K73-T77 PolarHBondContact O-N 3.48Å; K73-T77 VanDerWaalsContact O-N 3.12Å; K73-T77 PolarHBondContact O-OG1 3.39Å; R74-T77 PolarHBondContact O-N 3.03Å; T77-K79 VanDerWaalsContact C-N 3.3Å; T77-K79 PolarHBondContact O-N 3.27Å; T77-M80 WeakPolarHBondContact O-CA 3.27Å; T77-M80 WeakPolarHBondContact O-CB 3.32Å; T77-M80 PolarHBondContact O-N 2.99Å; T77-I81 HydrophobicContact CG2-CD1 3.88Å; T77-I81 HydrophobicContact CG2-CG1 4.47Å; T77-I81 WeakPolarHBondContact O-CG1 3.29Å; T77-I81 PolarHBondContact O-N 2.74Å
78L78.5Confident66.9Low66 Ų66109 Ų10935%0.34658%0.577SS.*Hα-helixtrans-61.4-37.2176.9-72.9173.5000112.4D58 R74 M80 I81 L82D58-L78 HydrophobicContact CB-CD2 4.27Å; D58-L78 WeakPolarHBondContact OD1-CD2 3.26Å; R74-L78 HydrophobicContact CG-CD1 4.1Å; R74-L78 HydrophobicContact CG-CG 4.38Å; R74-L78 WeakPolarHBondContact O-CG 3.36Å; R74-L78 PolarHBondContact O-N 2.91Å; L78-M80 VanDerWaalsContact C-N 3.28Å; L78-M80 PolarHBondContact O-N 3.4Å; L78-I81 PolarHBondContact O-N 2.93Å; L78-L82 WeakPolarHBondContact O-CB 3.41Å; L78-L82 WeakPolarHBondContact O-CD1 3.46Å; L78-L82 VanDerWaalsContact O-CG 3.32Å; L78-L82 WeakPolarHBondContact O-CG 3.22Å; L78-L82 PolarHBondContact O-N 3.08Å
79K79.1Confident65.5Low134 Ų134110.8 Ų110.858%0.58358%0.575SS**Hα-helixtrans-66.9-28.5174.1-74.9172.7-174.9177.20112.9P75 E76 T77 K83P75-K79 WeakPolarHBondContact O-CD 3.35Å; P75-K79 VanDerWaalsContact O-CG 3.27Å; P75-K79 WeakPolarHBondContact O-CG 3.2Å; P75-K79 PolarHBondContact O-N 3.4Å; E76-K79 WeakPolarHBondContact O-CB 3.5Å; E76-K79 PolarHBondContact O-N 2.95Å; T77-K79 VanDerWaalsContact C-N 3.3Å; T77-K79 PolarHBondContact O-N 3.27Å; K79-K83 WeakPolarHBondContact O-CD 3.34Å; K79-K83 VanDerWaalsContact O-CG 3.24Å; K79-K83 WeakPolarHBondContact O-CG 3.5Å
80M75.4Confident64.7Low134 Ų134113.7 Ų113.766%0.6659%0.585SS**Hα-helixtrans-74.6-46.3175-169.8-176.2-59.200110.3E76 T77 L78 L82 K83 S84E76-M80 PolarHBondContact O-N 3.48Å; E76-M80 VanDerWaalsContact O-N 3.08Å; T77-M80 WeakPolarHBondContact O-CA 3.27Å; T77-M80 WeakPolarHBondContact O-CB 3.32Å; T77-M80 PolarHBondContact O-N 2.99Å; L78-M80 VanDerWaalsContact C-N 3.28Å; L78-M80 PolarHBondContact O-N 3.4Å; M80-L82 VanDerWaalsContact C-N 3.35Å; M80-L82 PolarHBondContact O-N 2.92Å; M80-K83 WeakPolarHBondContact O-CB 3.22Å; M80-K83 PolarHBondContact O-N 3.18Å; M80-S84 PolarHBondContact O-N 3.39Å; M80-S84 PolarHBondContact O-OG 3.01Å; M80-S84 VanDerWaalsContact O-OG 3.1Å
81I77.3Confident63.8Low24 Ų24108.6 Ų108.612%0.12357%0.574CS.*Hα-helixtrans-58.7-45.8178.5-66.4166.4000110.9L54 D58 T77 L78 K83 S84 D85L54-I81 HydrophobicContact CB-CG1 4.36Å; L54-I81 HydrophobicContact CB-CG2 4.22Å; L54-I81 HydrophobicContact CD1-CG2 4.4Å; L54-I81 HydrophobicContact CD2-CG1 4.34Å; L54-I81 VanDerWaalsContact O-CD1 3.28Å; L54-I81 WeakPolarHBondContact O-CD1 3.22Å; D58-I81 HydrophobicContact CB-CD1 4.11Å; T77-I81 HydrophobicContact CG2-CD1 3.88Å; T77-I81 HydrophobicContact CG2-CG1 4.47Å; T77-I81 WeakPolarHBondContact O-CG1 3.29Å; T77-I81 PolarHBondContact O-N 2.74Å; L78-I81 PolarHBondContact O-N 2.93Å; I81-K83 PolarHBondContact O-N 2.78Å; I81-S84 WeakPolarHBondContact CA-OG 3.4Å; I81-S84 PolarHBondContact O-N 2.8Å; I81-S84 PolarHBondContact O-OG 3.33Å; I81-D85 PolarHBondContact O-N 2.98Å
82L71.3Confident62.7Low130 Ų130109.1 Ų109.168%0.68158%0.579SS**Hα-helixtrans-63.5-23.9177.5-76.3162.4000113.9L78 M80L78-L82 WeakPolarHBondContact O-CB 3.41Å; L78-L82 WeakPolarHBondContact O-CD1 3.46Å; L78-L82 VanDerWaalsContact O-CG 3.32Å; L78-L82 WeakPolarHBondContact O-CG 3.22Å; L78-L82 PolarHBondContact O-N 3.08Å; M80-L82 VanDerWaalsContact C-N 3.35Å; M80-L82 PolarHBondContact O-N 2.92Å
83K68.3Low61.1Low175 Ų175106.9 Ų106.976%0.76159%0.588SS**Hα-helixtrans-85.1-26.3176.9-73.4173.1-176.9-1750112.8K79 M80 I81K79-K83 WeakPolarHBondContact O-CD 3.34Å; K79-K83 VanDerWaalsContact O-CG 3.24Å; K79-K83 WeakPolarHBondContact O-CG 3.5Å; M80-K83 WeakPolarHBondContact O-CB 3.22Å; M80-K83 PolarHBondContact O-N 3.18Å; I81-K83 PolarHBondContact O-N 2.78Å
84S61.1Low59.5Low74 Ų74106.7 Ų106.752%0.51760%0.596SS.*Hα-helixtrans-81.4-15.6179.136.80000113.8M80 I81 G86M80-S84 PolarHBondContact O-N 3.39Å; M80-S84 PolarHBondContact O-OG 3.01Å; M80-S84 VanDerWaalsContact O-OG 3.1Å; I81-S84 WeakPolarHBondContact CA-OG 3.4Å; I81-S84 PolarHBondContact O-N 2.8Å; I81-S84 PolarHBondContact O-OG 3.33Å; S84-G86 VanDerWaalsContact C-N 3.26Å; S84-G86 PolarHBondContact O-N 3.16Å; S84-G86 VanDerWaalsContact O-N 3.17Å
85D50.8Low57.7Low104 Ų104108.4 Ų108.456%0.55662%0.62SS**SBendtrans-86.332.5-174.5-148.918.7000114.6I81 M87I81-D85 PolarHBondContact O-N 2.98Å; D85-M87 PolarHBondContact O-N 3.39Å
86G51.1Low55.8Low70 Ų70109.9 Ų109.972%0.72264%0.637SS**  trans6935.2164.100000117.5S84S84-G86 VanDerWaalsContact C-N 3.26Å; S84-G86 PolarHBondContact O-N 3.16Å; S84-G86 VanDerWaalsContact O-N 3.17Å
87M40Very low54.2Low170 Ų170110.1 Ų110.184%0.83765%0.649SS**  trans-81.9119.7158.8-71-148.376.500110.5D85D85-M87 PolarHBondContact O-N 3.39Å
88I38.1Very low52.3Low155 Ų155118.1 Ų118.180%0.79568%0.684SS**  trans-44.7130.5172-59166.9000109.7
89P38.4Very low50.4Low104 Ų104119.3 Ų119.368%0.67570%0.704SS**PPolyproline II helixtrans-63.8145174.527.2-32.5000109.8
90P44.4Very low48.3Very low116 Ų116119.2 Ų119.275%0.75372%0.717SS**PPolyproline II helixtrans-58.8145.4178.325.6-33.2000110.3
91P40.6Very low46.5Very low114 Ų114117.7 Ų117.774%0.7473%0.725SS**PPolyproline II helixtrans-64147.1-172.925.8-33.3000111.5
92P41.7Very low44.8Very low106 Ų106122 Ų12269%0.68876%0.758SS**PPolyproline II helixtrans-63138176.525.3-31.9000111T94P92-T94 PolarHBondContact O-N 3.07Å
93T38.3Very low42.8Very low151 Ų151121.6 Ų121.693%0.92677%0.766SS**SBendtrans-70.314.4-175.9-18.20000115
94T41.8Very low41.6Very low107 Ų107120.5 Ų120.566%0.65677%0.768SS**SBendtrans-113127.4-178.850.20000110.3P92P92-T94 PolarHBondContact O-N 3.07Å
95P42.9Very low40.4Very low130 Ų130125.6 Ų125.684%0.84478%0.784SS**PPolyproline II helixtrans-65137.5178.8-923000110.5
96A39.1Very low39.8Very low90 Ų90127.2 Ų127.274%0.74479%0.792SS**PPolyproline II helixtrans-74.8147.2174.300000111.3
97P41.1Very low39.1Very low128 Ų128131.4 Ų131.483%0.83180%0.798SS**PPolyproline II helixtrans-69145.4-179.5-11.927.2000112.5
98E40Very low39.3Very low198 Ų198134.6 Ų134.693%0.92580%0.801SS**PPolyproline II helixtrans-67.1140.6179.6-82.2-178147.700113.6
99A36.7Very low39.6Very low92 Ų92129.8 Ų129.876%0.7679%0.79SS**PPolyproline II helixtrans-87.2150.9174.700000111.9
100P36.3Very low39.8Very low131 Ų131134.3 Ų134.385%0.85179%0.794SS**PPolyproline II helixtrans-72.7152.7-176.50.714.1000112.9
101A37.5Very low39.7Very low102 Ų102134.1 Ų134.184%0.84379%0.79SS**PPolyproline II helixtrans-60.8148.3-172.600000115.3
102S40.6Very low39.9Very low116 Ų116131.7 Ų131.781%0.81178%0.78SS**PPolyproline II helixtrans-58.7144-179.154.80000115.6
103S29.2Very low40Very low120 Ų120129.4 Ų129.484%0.83977%0.769SS**  trans-133.3111155.3169.50000110
104N43.2Very low40.1Very low152 Ų152131.2 Ų131.281%0.81376%0.76SS**  trans-24.6123.9172.6-65.4-43000118.3
105Q35.8Very low40.1Very low182 Ų182129.6 Ų129.685%0.8575%0.752SS**  trans-162.7124.1130.5-123.2171-28.800113.2
106D38.1Very low40.2Very low137 Ų137126.2 Ų126.273%0.73374%0.736SS**  trans57.983.6157.7-64.1-28.5000122R108D106-R108 VanDerWaalsContact C-N 3.31Å; D106-R108 PolarHBondContact O-N 3.31Å; D106-R108 VanDerWaalsContact O-N 3.13Å
107N38.3Very low40.3Very low158 Ų158131.1 Ų131.185%0.84574%0.735SS**THydrogen-bonded Turntrans-80.261.7162.1-85.5-27000113.1
108R43.1Very low40.2Very low237 Ų237128 Ų12889%0.89472%0.72SS**THydrogen-bonded Turntrans-129-9.9167.7-130.9178.3-165.9-172.73.5115.7D106D106-R108 VanDerWaalsContact C-N 3.31Å; D106-R108 PolarHBondContact O-N 3.31Å; D106-R108 VanDerWaalsContact O-N 3.13Å
109G44.4Very low40.1Very low55 Ų55124.4 Ų124.457%0.56771%0.707SS**SBendtrans-96.4-22.6-178.600000116.2
110R43.3Very low40.1Very low199 Ų199127.1 Ų127.175%0.75170%0.704SS**Hα-helixtrans-87.9-25.4-171.1-64.9-173.9-173.6-120.72114.6W114R110-W114 PolarHBondContact O-N 3.18Å
111V42.3Very low40.4Very low111 Ų111129 Ų12967%0.67370%0.701SS**Hα-helixtrans-75.1-32.6178.4-177.40000111.3W114 S115V111-W114 PolarHBondContact O-N 2.93Å; V111-S115 PolarHBondContact O-N 3.09Å; V111-S115 VanDerWaalsContact O-N 3.12Å; V111-S115 PolarHBondContact O-OG 3.12Å
112A45.2Very low40.4Very low64 Ų64132.9 Ų132.953%0.52970%0.699SS.*Hα-helixtrans-66.9-36.3176.100000112.7S115 A116A112-S115 WeakPolarHBondContact CA-OG 3.35Å; A112-S115 PolarHBondContact O-OG 3.45Å; A112-S115 VanDerWaalsContact O-OG 3.13Å; A112-A116 WeakPolarHBondContact O-CB 3.24Å; A112-A116 PolarHBondContact O-N 2.93Å; A112-A116 VanDerWaalsContact O-N 3.1Å
113A43.7Very low39.9Very low57 Ų57136.1 Ų136.147%0.47170%0.701SS.*Hα-helixtrans-68.6-32.3177.400000112.7W117A113-W117 PolarHBondContact O-N 2.83Å
114W39.9Very low40Very low190 Ų190136 Ų13672%0.7270%0.699SS**Hα-helixtrans-81.7-31.6178-70.6-8.2000113.3R110 V111 A118R110-W114 PolarHBondContact O-N 3.18Å; V111-W114 PolarHBondContact O-N 2.93Å; W114-A118 WeakPolarHBondContact O-CB 3.45Å; W114-A118 PolarHBondContact O-N 2.82Å
115S40.9Very low39.8Very low72 Ų72137.3 Ų137.350%0.50370%0.7SS.*Hα-helixtrans-73.6-26171.646.30000113.4V111 A112 N119V111-S115 PolarHBondContact O-N 3.09Å; V111-S115 VanDerWaalsContact O-N 3.12Å; V111-S115 PolarHBondContact O-OG 3.12Å; A112-S115 WeakPolarHBondContact CA-OG 3.35Å; A112-S115 PolarHBondContact O-OG 3.45Å; A112-S115 VanDerWaalsContact O-OG 3.13Å; S115-N119 WeakPolarHBondContact O-CB 3.44Å; S115-N119 PolarHBondContact O-N 3.43Å
116A44.6Very low39.9Very low60 Ų60137.8 Ų137.850%0.49670%0.702SS.*Hα-helixtrans-69.9-42.9172.600000111.5A112 N119A112-A116 WeakPolarHBondContact O-CB 3.24Å; A112-A116 PolarHBondContact O-N 2.93Å; A112-A116 VanDerWaalsContact O-N 3.1Å; A116-N119 PolarHBondContact O-N 3.29Å
117W41.6Very low39.4Very low193 Ų193139.7 Ų139.773%0.73171%0.707SS**Hα-helixtrans-71-33.5-178.9-130.4-15.3000113.5A113A113-W117 PolarHBondContact O-N 2.83Å
118A38.6Very low39.1Very low61 Ų61137.7 Ų137.750%0.50470%0.702SS.*Hα-helixtrans-78.6-19.1178.500000113.7W114W114-A118 WeakPolarHBondContact O-CB 3.45Å; W114-A118 PolarHBondContact O-N 2.82Å
119N37.8Very low38.6Very low124 Ų124130.7 Ų130.766%0.66369%0.69SS**Hα-helixtrans-86.7-20.9178.7-150.343.1000112.7S115 A116 Q121S115-N119 WeakPolarHBondContact O-CB 3.44Å; S115-N119 PolarHBondContact O-N 3.43Å; A116-N119 PolarHBondContact O-N 3.29Å; N119-Q121 VanDerWaalsContact C-N 3.29Å
120E38.4Very low38.3Very low148 Ų148136.6 Ų136.669%0.69270%0.703SS**G310 helixtrans-70.3-22.6170.2-88.2175.6148.100113.1
121Q41.6Very low38.3Very low171 Ų171133.9 Ų133.980%0.79970%0.703SS**G310 helixtrans-86.2-3.1179.8-108175.913.200115N119N119-Q121 VanDerWaalsContact C-N 3.29Å
122K37Very low38.3Very low183 Ų183133.6 Ų133.680%0.79670%0.698SS**G310 helixtrans-120.418.1-179.9-76.9-166.2175.2-174.50114.9
123H30.7Very low38.1Very low185 Ų185132.4 Ų132.486%0.85669%0.692SS**SBendtrans-121.322.3169.9-122.155.1000113.6
124C32.2Very low38.5Very low118 Ų118132.8 Ų132.880%0.79770%0.695SS**  trans-108.253.1175-139.10000110.5
125E37.8Very low39.2Very low179 Ų179126.5 Ų126.584%0.83668%0.683SS**SBendtrans-128.7114.2156.9-72.9-166.9140.600105.9
126Q37.5Very low40.1Very low191 Ų191128.1 Ų128.189%0.89369%0.686SS**SBendtrans94.463.5-179.3-51.2174.724.100117.1
127Q28.4Very low41.1Very low178 Ų178127.6 Ų127.683%0.83267%0.674SS**SBendtrans-144.7148.5140.4-75.5-159.2-17.800109.9
128P32.5Very low42.5Very low115 Ų115120.9 Ų120.975%0.74766%0.66SS**  trans-68.7149.8-175.35.78000111.4Q130P128-Q130 PolarHBondContact O-N 2.93Å
129S33.1Very low44.2Very low90 Ų90120.5 Ų120.563%0.62966%0.657SS**  trans-34.8116.7177.124.90000114.9
130Q36.2Very low46.1Very low180 Ų180119.2 Ų119.284%0.84165%0.649SS**SBendtrans-96.66.1171.2-94.4-175.3-1.300113.8P128P128-Q130 PolarHBondContact O-N 2.93Å
131D43.4Very low48Very low141 Ų141115.6 Ų115.675%0.75463%0.634SS**SBendtrans-86.4-26.9178.4-153.730.1000112.5G133D131-G133 VanDerWaalsContact C-N 3.28Å; D131-G133 PolarHBondContact O-N 3.49Å
132D42.2Very low50.1Low106 Ų106108.6 Ų108.657%0.56760%0.603SS**Hα-helixtrans-64.9-29.5175.8-75.4-40.5000112.7A134 D136D132-A134 PolarHBondContact O-N 3.29Å; D132-D136 WeakPolarHBondContact O-CB 3.31Å; D132-D136 PolarHBondContact O-N 2.81Å; D132-D136 VanDerWaalsContact O-N 3.14Å
133G42.1Very low52.1Low39 Ų39101.6 Ų101.640%0.40258%0.575SS.*Hα-helixtrans-72.2-27.9-175.600000114.9D131 M137D131-G133 VanDerWaalsContact C-N 3.28Å; D131-G133 PolarHBondContact O-N 3.49Å; G133-M137 WeakPolarHBondContact O-CB 3.48Å; G133-M137 WeakPolarHBondContact O-CG 3.42Å; G133-M137 PolarHBondContact O-N 2.9Å
134A51.7Low54.7Low65 Ų6596.4 Ų96.454%0.53755%0.547SS..Hα-helixtrans-77.7-39.7-17900000112D132 M137 A138D132-A134 PolarHBondContact O-N 3.29Å; A134-M137 PolarHBondContact O-N 3.16Å; A134-A138 PolarHBondContact O-N 3.37Å
135A54.2Low57.3Low57 Ų5792.1 Ų92.147%0.47152%0.517SS..Hα-helixtrans-67.6-41.317400000111.4M137 A138 A139A135-M137 PolarHBondContact O-N 2.86Å; A135-A138 PolarHBondContact O-N 3.25Å; A135-A139 PolarHBondContact O-N 3Å
136D60.9Low59.7Low106 Ų10683.9 Ų83.957%0.56748%0.478SS*.Hα-helixtrans-62.1-41.8173.6-79.4-11.9000111.6D132 A138 A139 L140D132-D136 WeakPolarHBondContact O-CB 3.31Å; D132-D136 PolarHBondContact O-N 2.81Å; D132-D136 VanDerWaalsContact O-N 3.14Å; D136-A138 PolarHBondContact O-N 2.74Å; D136-A139 PolarHBondContact O-N 2.98Å; D136-L140 VanDerWaalsContact O-CG 3.27Å; D136-L140 WeakPolarHBondContact O-CG 3.34Å; D136-L140 PolarHBondContact O-N 2.95Å
137M64.9Low62.1Low49 Ų4977.3 Ų77.324%0.24145%0.448CS..Hα-helixtrans-64.8-38.4174.8-76-69.4-70.500112.8G133 A134 A135 L140 L141 V318 V321G133-M137 WeakPolarHBondContact O-CB 3.48Å; G133-M137 WeakPolarHBondContact O-CG 3.42Å; G133-M137 PolarHBondContact O-N 2.9Å; A134-M137 PolarHBondContact O-N 3.16Å; A135-M137 PolarHBondContact O-N 2.86Å; M137-L140 PolarHBondContact O-N 3.04Å; M137-L140 HydrophobicContact SD-CD1 4.13Å; M137-L141 WeakPolarHBondContact O-CG 3.44Å; M137-L141 PolarHBondContact O-N 2.89Å; M137-V318 HydrophobicContact CE-CG1 3.5Å; M137-V318 HydrophobicContact SD-CG1 4.45Å; M137-V321 HydrophobicContact CE-CG2 4.03Å
138A71.6Confident65Low53 Ų5369.3 Ų69.344%0.43841%0.411SS..Hα-helixtrans-65.8-40.7174.600000111.8A134 A135 D136 L141 V142A134-A138 PolarHBondContact O-N 3.37Å; A135-A138 PolarHBondContact O-N 3.25Å; D136-A138 PolarHBondContact O-N 2.74Å; A138-L141 PolarHBondContact O-N 2.95Å; A138-V142 WeakPolarHBondContact O-CG2 3.41Å; A138-V142 PolarHBondContact O-N 2.82Å
139A74.6Confident67.9Low52 Ų5263.9 Ų63.943%0.4338%0.375SS..Hα-helixtrans-62.5-42.2174.700000111.9A135 D136 L141 V142 D143A135-A139 PolarHBondContact O-N 3Å; D136-A139 PolarHBondContact O-N 2.98Å; A139-L141 VanDerWaalsContact C-N 3.34Å; A139-L141 PolarHBondContact O-N 3.39Å; A139-V142 PolarHBondContact O-N 3.5Å; A139-D143 WeakPolarHBondContact O-CB 3.47Å; A139-D143 PolarHBondContact O-N 3.01Å
140L77.6Confident70.6Confident98 Ų9860.7 Ų60.751%0.51335%0.351SS..Hα-helixtrans-62.3-37.9174.5-71.3172.6000112.6D136 M137 D143 R144D136-L140 VanDerWaalsContact O-CG 3.27Å; D136-L140 WeakPolarHBondContact O-CG 3.34Å; D136-L140 PolarHBondContact O-N 2.95Å; M137-L140 PolarHBondContact O-N 3.04Å; M137-L140 HydrophobicContact SD-CD1 4.13Å; L140-D143 PolarHBondContact O-N 3.4Å; L140-R144 VanDerWaalsContact O-CB 3.31Å; L140-R144 WeakPolarHBondContact O-CB 3.43Å; L140-R144 PolarHBondContact O-N 3.22Å
141L78.6Confident73.2Confident72 Ų7253.9 Ų53.938%0.37732%0.319SS..Hα-helixtrans-67.2-42.2175.8-72.2172.9000112M137 A138 A139 R144 D145 V318M137-L141 WeakPolarHBondContact O-CG 3.44Å; M137-L141 PolarHBondContact O-N 2.89Å; A138-L141 PolarHBondContact O-N 2.95Å; A139-L141 VanDerWaalsContact C-N 3.34Å; A139-L141 PolarHBondContact O-N 3.39Å; L141-R144 PolarHBondContact O-N 3.49Å; L141-D145 WeakPolarHBondContact O-CB 3.47Å; L141-D145 PolarHBondContact O-N 2.97Å; L141-V318 HydrophobicContact CD2-CB 4.29Å; L141-V318 HydrophobicContact CD2-CG1 4.17Å; L141-V318 HydrophobicContact CD2-CG2 4.14Å
142V84.3Confident75.6Confident23 Ų2347.2 Ų47.214%0.13928%0.283CS..Hα-helixtrans-65-42.3176177.10000110.6A138 A139 D145 V146 L221 H224A138-V142 WeakPolarHBondContact O-CG2 3.41Å; A138-V142 PolarHBondContact O-N 2.82Å; A139-V142 PolarHBondContact O-N 3.5Å; V142-D145 PolarHBondContact O-N 2.98Å; V142-V146 HydrophobicContact CG1-CG2 4.45Å; V142-V146 VanDerWaalsContact O-CG2 3.31Å; V142-V146 WeakPolarHBondContact O-CG2 3.43Å; V142-V146 PolarHBondContact O-N 3.24Å; V142-L221 HydrophobicContact CG1-CD2 3.75Å; V142-H224 HydrophobicContact CG1-CB 3.81Å
143D80.5Confident78Confident37 Ų3742.3 Ų42.320%0.19826%0.257CS..Hα-helixtrans-61-46.8176.2-174.370.9000111.7A139 L140 D145 V146 Q147A139-D143 WeakPolarHBondContact O-CB 3.47Å; A139-D143 PolarHBondContact O-N 3.01Å; L140-D143 PolarHBondContact O-N 3.4Å; D143-D145 VanDerWaalsContact C-N 3.34Å; D143-D145 PolarHBondContact O-N 2.94Å; D143-V146 WeakPolarHBondContact O-CB 3.24Å; D143-V146 PolarHBondContact O-N 3.17Å; D143-V146 VanDerWaalsContact O-N 3.16Å; D143-Q147 WeakPolarHBondContact O-CG 3.5Å; D143-Q147 PolarHBondContact O-N 3.08Å; D143-Q147 PolarHBondContact OD2-NE2 3.34Å
144R85.1Confident80.2Confident75 Ų7542 Ų4228%0.28325%0.247SC..Hα-helixtrans-55-48.1173-178-159.4-179.9-153.4-1.5111.7L140 L141 V146 Q147 I148 P315 P316L140-R144 VanDerWaalsContact O-CB 3.31Å; L140-R144 WeakPolarHBondContact O-CB 3.43Å; L140-R144 PolarHBondContact O-N 3.22Å; L141-R144 PolarHBondContact O-N 3.49Å; R144-V146 VanDerWaalsContact C-N 3.32Å; R144-V146 PolarHBondContact O-N 2.93Å; R144-Q147 PolarHBondContact O-N 3.16Å; R144-I148 HydrophobicContact CG-CD1 4.14Å; R144-I148 VanDerWaalsContact O-CG1 3.28Å; R144-I148 WeakPolarHBondContact O-CG1 3.45Å; R144-I148 PolarHBondContact O-N 3.45Å; R144-P315 HydrophobicContact CG-CB 4.49Å; R144-P316 PolarHBondContact NE-O 3.41Å
145D86.6Confident82.2Confident29 Ų2939.4 Ų39.416%0.15522%0.223CC..Hα-helixtrans-65.2-35.4-179.9-83.4-25.6000111.7L141 V142 D143 I148 L149 Q217 L221L141-D145 WeakPolarHBondContact O-CB 3.47Å; L141-D145 PolarHBondContact O-N 2.97Å; V142-D145 PolarHBondContact O-N 2.98Å; D143-D145 VanDerWaalsContact C-N 3.34Å; D143-D145 PolarHBondContact O-N 2.94Å; D145-I148 PolarHBondContact O-N 3.3Å; D145-L149 WeakPolarHBondContact O-CB 3.39Å; D145-L149 PolarHBondContact O-N 2.93Å; D145-Q217 VanDerWaalsContact CG-OE1 3.25Å; D145-Q217 PolarHBondContact OD1-NE2 2.94Å; D145-Q217 PolarHBondContact OD1-OE1 2.99Å; D145-L221 HydrophobicContact CB-CD1 4.18Å; D145-L221 HydrophobicContact CB-CD2 3.89Å; D145-L221 HydrophobicContact CB-CG 4.22Å
146V88.3Confident84.1Confident5 Ų536.7 Ų36.73%0.0320%0.201CC..Hα-helixtrans-64.7-44.1172.7169.80000111.3V142 D143 R144 L149 N150 L221 I225 V395V142-V146 HydrophobicContact CG1-CG2 4.45Å; V142-V146 VanDerWaalsContact O-CG2 3.31Å; V142-V146 WeakPolarHBondContact O-CG2 3.43Å; V142-V146 PolarHBondContact O-N 3.24Å; D143-V146 WeakPolarHBondContact O-CB 3.24Å; D143-V146 PolarHBondContact O-N 3.17Å; D143-V146 VanDerWaalsContact O-N 3.16Å; R144-V146 VanDerWaalsContact C-N 3.32Å; R144-V146 PolarHBondContact O-N 2.93Å; V146-L149 PolarHBondContact O-N 3.28Å; V146-N150 PolarHBondContact O-N 3.31Å; V146-N150 PolarHBondContact O-ND2 3.21Å; V146-L221 HydrophobicContact CG2-CD1 3.92Å; V146-L221 HydrophobicContact CG2-CD2 3.84Å; V146-L221 HydrophobicContact CG2-CG 4.49Å; V146-I225 HydrophobicContact CG2-CG2 4.17Å; V146-V395 HydrophobicContact CG1-CB 4.3Å; V146-V395 HydrophobicContact CG1-CG1 4.04Å
147Q87.6Confident85.5Confident54 Ų5433.4 Ų33.425%0.25218%0.182SC..Hα-helixtrans-60.6-48.1175-68.3-177.143.600110.9D143 R144 L149 N150 H151 W313D143-Q147 WeakPolarHBondContact O-CG 3.5Å; D143-Q147 PolarHBondContact O-N 3.08Å; D143-Q147 PolarHBondContact OD2-NE2 3.34Å; R144-Q147 PolarHBondContact O-N 3.16Å; Q147-L149 VanDerWaalsContact C-N 3.29Å; Q147-L149 PolarHBondContact O-N 3.26Å; Q147-N150 PolarHBondContact O-N 3.32Å; Q147-N150 VanDerWaalsContact O-N 3.13Å; Q147-H151 PolarHBondContact O-CD2 3.4Å; Q147-H151 PolarHBondContact O-N 3.4Å; Q147-W313 HydrophobicContact CB-CH2 3.94Å; Q147-W313 HydrophobicContact CB-CZ2 3.86Å
148I89.8Confident86.8Confident10 Ų1035.4 Ų35.45%0.05119%0.19CC..Hα-helixtrans-53.5-48.9175.1-69.6169.1000110.4R144 D145 N150 H151 I152 Q217 L307 F309 W313 P315R144-I148 HydrophobicContact CG-CD1 4.14Å; R144-I148 VanDerWaalsContact O-CG1 3.28Å; R144-I148 WeakPolarHBondContact O-CG1 3.45Å; R144-I148 PolarHBondContact O-N 3.45Å; D145-I148 PolarHBondContact O-N 3.3Å; I148-N150 PolarHBondContact O-N 3.22Å; I148-H151 PolarHBondContact O-N 3.07Å; I148-I152 HydrophobicContact CG2-CD1 3.66Å; I148-I152 HydrophobicContact CG2-CG1 4.37Å; I148-I152 WeakPolarHBondContact O-CD1 3.42Å; I148-I152 WeakPolarHBondContact O-CG1 3.32Å; I148-I152 PolarHBondContact O-N 3.49Å; I148-Q217 HydrophobicContact CG2-CG 4.11Å; I148-L307 HydrophobicContact CG2-CD2 3.95Å; I148-F309 HydrophobicContact CG2-CZ 4.31Å; I148-W313 HydrophobicContact CG1-CH2 3.75Å; I148-W313 HydrophobicContact CG1-CZ3 3.91Å; I148-P315 HydrophobicContact CD1-CB 3.87Å; I148-P315 HydrophobicContact CD1-CG 3.92Å; I148-P315 HydrophobicContact CG1-CB 3.95Å; I148-P315 HydrophobicContact CG1-CG 3.82Å
149L92.2Very high87.9Confident0 Ų033.5 Ų33.50%017%0.172CC..Hα-helixtrans-58.9-47.5178.5177.162.7000111.3D145 V146 Q147 H151 I152 L153 A214 Q217 L218 L221 I225 L233D145-L149 WeakPolarHBondContact O-CB 3.39Å; D145-L149 PolarHBondContact O-N 2.93Å; V146-L149 PolarHBondContact O-N 3.28Å; Q147-L149 VanDerWaalsContact C-N 3.29Å; Q147-L149 PolarHBondContact O-N 3.26Å; L149-H151 PolarHBondContact O-N 3.19Å; L149-I152 WeakPolarHBondContact O-CB 3.41Å; L149-I152 PolarHBondContact O-N 3.19Å; L149-I152 VanDerWaalsContact O-N 3.16Å; L149-L153 HydrophobicContact CD1-CD1 4.39Å; L149-L153 HydrophobicContact CD1-CD2 4.47Å; L149-L153 HydrophobicContact CD1-CG 4.22Å; L149-L153 HydrophobicContact CG-CD1 4.2Å; L149-L153 HydrophobicContact CG-CG 4.43Å; L149-L153 VanDerWaalsContact O-CG 3.3Å; L149-L153 WeakPolarHBondContact O-CG 3.3Å; L149-L153 PolarHBondContact O-N 3.27Å; L149-A214 HydrophobicContact CD1-CB 4.27Å; L149-Q217 HydrophobicContact CB-CB 4.25Å; L149-Q217 HydrophobicContact CD1-CB 4.21Å; L149-L218 HydrophobicContact CD1-CD2 4.13Å; L149-L218 HydrophobicContact CD1-CG 4.07Å; L149-L218 HydrophobicContact CD2-CD2 3.63Å; L149-L218 HydrophobicContact CD2-CG 4.34Å; L149-L221 HydrophobicContact CB-CD1 4.17Å; L149-L221 HydrophobicContact CD2-CD1 3.89Å; L149-I225 HydrophobicContact CD2-CD1 4.18Å; L149-L233 HydrophobicContact CD2-CD1 4.42Å
150N90.8Very high88.7Confident24 Ų2431 Ų3113%0.12815%0.151CC..Hα-helixtrans-60.7-45.4179.8-76.3-27.2000112.1V146 Q147 I148 I152 L153 D154V146-N150 PolarHBondContact O-N 3.31Å; V146-N150 PolarHBondContact O-ND2 3.21Å; Q147-N150 PolarHBondContact O-N 3.32Å; Q147-N150 VanDerWaalsContact O-N 3.13Å; I148-N150 PolarHBondContact O-N 3.22Å; N150-I152 VanDerWaalsContact C-N 3.3Å; N150-I152 PolarHBondContact O-N 3.47Å; N150-L153 PolarHBondContact O-N 3.22Å; N150-D154 VanDerWaalsContact O-CG 3.28Å; N150-D154 PolarHBondContact O-N 3.41Å
151H89.9Confident89.3Confident37 Ų3727.6 Ų27.617%0.17113%0.134CC..Hα-helixtrans-65.2-33.1176.2-75.1-84.1000112.3Q147 I148 L149 D154 D155 F309 D311 W313Q147-H151 PolarHBondContact O-CD2 3.4Å; Q147-H151 PolarHBondContact O-N 3.4Å; I148-H151 PolarHBondContact O-N 3.07Å; L149-H151 PolarHBondContact O-N 3.19Å; H151-D154 PolarHBondContact O-N 3.16Å; H151-D155 PolarHBondContact O-N 2.98Å; H151-F309 HydrophobicContact CB-CD1 3.52Å; H151-F309 HydrophobicContact CB-CE1 3.34Å; H151-F309 HydrophobicContact CB-CG 4.31Å; H151-F309 HydrophobicContact CB-CZ 4Å; H151-D311 IonicContact CE1-OD2 2.79Å; H151-D311 PolarHBondContact CE1-OD2 2.8Å; H151-D311 IonicContact ND1-OD2 2.89Å; H151-D311 PolarHBondContact ND1-OD2 3.29Å; H151-W313 HydrophobicContact CB-CE3 4.1Å; H151-W313 HydrophobicContact CB-CZ3 4.33Å; H151-W313 AromaticContact CD2-CD2 3.51Å; H151-W313 AromaticContact CD2-CE2 3.67Å; H151-W313 AromaticContact CD2-CE3 3.57Å; H151-W313 AromaticContact CD2-CH2 3.94Å; H151-W313 AromaticContact CD2-CZ2 3.9Å; H151-W313 AromaticContact CD2-CZ3 3.78Å; H151-W313 AromaticContact CE1-CD1 3.81Å; H151-W313 AromaticContact CE1-CD2 3.85Å; H151-W313 AromaticContact CE1-CG 3.59Å; H151-W313 AromaticContact CG-CD2 3.93Å; H151-W313 AromaticContact CG-CE3 3.75Å; H151-W313 AromaticContact NE2-CD1 3.72Å; H151-W313 AromaticContact NE2-CD2 3.51Å; H151-W313 AromaticContact NE2-CE2 3.5Å; H151-W313 AromaticContact NE2-CG 3.68Å; H151-W313 AromaticContact NE2-NE1 3.61Å
152I93.3Very high89.9Confident0 Ų027.8 Ų27.80%013%0.132CC..Hα-helixtrans-65.1-46.4173.8-69.8163000110.3I148 L149 N150 D154 D155 V156 K210 H213 A214 Q217 L307 F309I148-I152 HydrophobicContact CG2-CD1 3.66Å; I148-I152 HydrophobicContact CG2-CG1 4.37Å; I148-I152 WeakPolarHBondContact O-CD1 3.42Å; I148-I152 WeakPolarHBondContact O-CG1 3.32Å; I148-I152 PolarHBondContact O-N 3.49Å; L149-I152 WeakPolarHBondContact O-CB 3.41Å; L149-I152 PolarHBondContact O-N 3.19Å; L149-I152 VanDerWaalsContact O-N 3.16Å; N150-I152 VanDerWaalsContact C-N 3.3Å; N150-I152 PolarHBondContact O-N 3.47Å; I152-D154 PolarHBondContact O-N 2.95Å; I152-D155 PolarHBondContact O-N 2.75Å; I152-V156 HydrophobicContact CG2-CG2 4.4Å; I152-V156 WeakPolarHBondContact O-CG2 3.46Å; I152-V156 PolarHBondContact O-N 2.72Å; I152-K210 HydrophobicContact CG2-CB 4.01Å; I152-K210 VanDerWaalsContact CG2-O 3.23Å; I152-K210 WeakPolarHBondContact CG2-O 3.47Å; I152-H213 HydrophobicContact CD1-CB 3.69Å; I152-A214 HydrophobicContact CG2-CB 3.8Å; I152-Q217 HydrophobicContact CD1-CG 4.4Å; I152-L307 HydrophobicContact CD1-CD2 3.84Å; I152-L307 HydrophobicContact CG1-CD1 4.48Å; I152-L307 HydrophobicContact CG1-CD2 3.86Å; I152-F309 HydrophobicContact CG1-CE1 3.8Å; I152-F309 HydrophobicContact CG1-CZ 4.2Å
153L92.7Very high90.2Very high3 Ų327.3 Ų27.32%0.01613%0.129CC..Hα-helixtrans-60.2-37.5179.9-67.2178000111.4L149 N150 V156 E157 L233 L237 V391L149-L153 HydrophobicContact CD1-CD1 4.39Å; L149-L153 HydrophobicContact CD1-CD2 4.47Å; L149-L153 HydrophobicContact CD1-CG 4.22Å; L149-L153 HydrophobicContact CG-CD1 4.2Å; L149-L153 HydrophobicContact CG-CG 4.43Å; L149-L153 VanDerWaalsContact O-CG 3.3Å; L149-L153 WeakPolarHBondContact O-CG 3.3Å; L149-L153 PolarHBondContact O-N 3.27Å; N150-L153 PolarHBondContact O-N 3.22Å; L153-V156 PolarHBondContact O-N 3.33Å; L153-E157 WeakPolarHBondContact O-CB 3.46Å; L153-E157 PolarHBondContact O-N 3.05Å; L153-L233 HydrophobicContact CD1-CD2 4.16Å; L153-L237 HydrophobicContact CD2-CD1 4.29Å; L153-L237 HydrophobicContact CD2-CD2 3.7Å; L153-L237 HydrophobicContact CD2-CG 4.24Å; L153-V391 HydrophobicContact CB-CG1 4.2Å
154D89.7Confident90.7Very high34 Ų3427 Ų2718%0.18213%0.126CC..Hα-helixtrans-64.8-45.9176.9-71.81.3000113.3N150 H151 I152 V156 E157 F158 R394N150-D154 VanDerWaalsContact O-CG 3.28Å; N150-D154 PolarHBondContact O-N 3.41Å; H151-D154 PolarHBondContact O-N 3.16Å; I152-D154 PolarHBondContact O-N 2.95Å; D154-V156 VanDerWaalsContact C-N 3.32Å; D154-E157 PolarHBondContact O-N 2.97Å; D154-F158 WeakPolarHBondContact O-CB 3.44Å; D154-F158 PolarHBondContact O-N 2.91Å; D154-R394 IonicContact OD1-CZ 2.98Å; D154-R394 IonicContact OD1-NE 2.75Å; D154-R394 PolarHBondContact OD1-NE 3.36Å; D154-R394 IonicContact OD1-NH1 3.27Å; D154-R394 PolarHBondContact OD1-NH1 2.8Å; D154-R394 VanDerWaalsContact OD1-NH1 3.12Å; D154-R394 IonicContact OD1-NH2 2.74Å; D154-R394 PolarHBondContact OD1-NH2 2.92Å; D154-R394 IonicContact OD2-CZ 3.33Å; D154-R394 IonicContact OD2-NH1 3.54Å; D154-R394 PolarHBondContact OD2-NH1 2.77Å; D154-R394 IonicContact OD2-NH2 3.98Å; D154-R394 PolarHBondContact OD2-NH2 3.33Å
155D93Very high90.9Very high9 Ų929.9 Ų29.95%0.04814%0.141CC..Hα-helixtrans-65.1-40.3178.3-90.2-1.4000111.2H151 I152 F158 F159 K210 F309 R310H151-D155 PolarHBondContact O-N 2.98Å; I152-D155 PolarHBondContact O-N 2.75Å; D155-F158 PolarHBondContact O-N 3.33Å; D155-F159 WeakPolarHBondContact O-CB 3.25Å; D155-F159 PolarHBondContact O-N 3.15Å; D155-K210 HydrophobicContact CB-CD 3.76Å; D155-K210 WeakPolarHBondContact OD2-CE 3.19Å; D155-K210 IonicContact OD2-NZ 2.78Å; D155-K210 PolarHBondContact OD2-NZ 3.45Å; D155-F309 WeakPolarHBondContact OD2-CA 3.5Å; D155-R310 VanDerWaalsContact OD1-CB 3.27Å; D155-R310 WeakPolarHBondContact OD1-CB 3.31Å; D155-R310 WeakPolarHBondContact OD1-CD 3.49Å; D155-R310 VanDerWaalsContact OD1-CG 3.26Å; D155-R310 WeakPolarHBondContact OD1-CG 3.45Å; D155-R310 WeakPolarHBondContact OD2-CG 3.26Å; D155-R310 PolarHBondContact OD2-N 3.14Å; D155-R310 VanDerWaalsContact OD2-N 3.16Å
156V93.9Very high91Very high0 Ų028.9 Ų28.90%014%0.136CC..Hα-helixtrans-62-48.2173.51700000110.5I152 L153 D154 F158 F159 V160 K210 F211 L237 P240 F387I152-V156 HydrophobicContact CG2-CG2 4.4Å; I152-V156 WeakPolarHBondContact O-CG2 3.46Å; I152-V156 PolarHBondContact O-N 2.72Å; L153-V156 PolarHBondContact O-N 3.33Å; D154-V156 VanDerWaalsContact C-N 3.32Å; V156-F158 VanDerWaalsContact C-N 3.33Å; V156-F158 PolarHBondContact O-N 2.95Å; V156-F159 PolarHBondContact O-N 3.26Å; V156-V160 HydrophobicContact CG1-CG2 4.27Å; V156-V160 VanDerWaalsContact O-CB 3.3Å; V156-V160 WeakPolarHBondContact O-CB 3.43Å; V156-V160 WeakPolarHBondContact O-CG2 3.41Å; V156-V160 PolarHBondContact O-N 3.37Å; V156-K210 HydrophobicContact CG2-CB 4Å; V156-F211 HydrophobicContact CG1-CE1 3.75Å; V156-F211 HydrophobicContact CG1-CE2 4.02Å; V156-F211 HydrophobicContact CG1-CZ 3.39Å; V156-F211 HydrophobicContact CG2-CE2 4.44Å; V156-F211 HydrophobicContact CG2-CZ 4.43Å; V156-L237 HydrophobicContact CG1-CD2 4.49Å; V156-P240 HydrophobicContact CG1-CB 4.42Å; V156-F387 HydrophobicContact CG1-CZ 4.26Å
157E91.6Very high90.9Very high38 Ų3830.1 Ų30.118%0.17815%0.147CC..Hα-helixtrans-60.6-43.5178.3-174.9-174.5-174.500111.8L153 D154 V160 T161 F387 K388L153-E157 WeakPolarHBondContact O-CB 3.46Å; L153-E157 PolarHBondContact O-N 3.05Å; D154-E157 PolarHBondContact O-N 2.97Å; E157-V160 PolarHBondContact O-N 3.32Å; E157-T161 WeakPolarHBondContact O-CB 3.38Å; E157-T161 PolarHBondContact O-N 2.86Å; E157-T161 PolarHBondContact O-OG1 2.64Å; E157-F387 HydrophobicContact CB-CE1 4.04Å; E157-F387 HydrophobicContact CG-CE1 4.25Å; E157-K388 HydrophobicContact CG-CG 4.44Å; E157-K388 WeakPolarHBondContact OE1-CG 3.41Å
158F91.6Very high90.9Very high91 Ų9132.4 Ų32.440%0.39916%0.158SC..Hα-helixtrans-61.1-48.9177.1178.2-86.7000110.9D154 D155 V156 V160 T161 K162 R310D154-F158 WeakPolarHBondContact O-CB 3.44Å; D154-F158 PolarHBondContact O-N 2.91Å; D155-F158 PolarHBondContact O-N 3.33Å; V156-F158 VanDerWaalsContact C-N 3.33Å; V156-F158 PolarHBondContact O-N 2.95Å; F158-V160 PolarHBondContact O-N 2.92Å; F158-T161 PolarHBondContact O-N 2.84Å; F158-K162 HydrophobicContact CE1-CB 4.38Å; F158-K162 HydrophobicContact CE1-CD 4.2Å; F158-K162 WeakPolarHBondContact O-CB 3.25Å; F158-K162 PolarHBondContact O-N 3.12Å; F158-R310 VanDerWaalsContact CG-CZ 3.5Å; F158-R310 VanDerWaalsContact CZ-CZ 3.47Å
159F93.9Very high90.7Very high13 Ų1332.4 Ų32.46%0.05716%0.159CC..Hα-helixtrans-60.8-47.4179.8-179.9-90.5000111.2D155 V156 T161 K162 L163 P199 E203 F204 C207 V244D155-F159 WeakPolarHBondContact O-CB 3.25Å; D155-F159 PolarHBondContact O-N 3.15Å; V156-F159 PolarHBondContact O-N 3.26Å; F159-T161 VanDerWaalsContact C-N 3.3Å; F159-T161 PolarHBondContact O-N 3Å; F159-K162 WeakPolarHBondContact O-CB 3.31Å; F159-K162 PolarHBondContact O-N 3.37Å; F159-K162 VanDerWaalsContact O-N 3.16Å; F159-L163 HydrophobicContact CE1-CB 4.49Å; F159-L163 HydrophobicContact CE1-CD2 4.14Å; F159-L163 WeakPolarHBondContact O-CB 3.32Å; F159-L163 PolarHBondContact O-N 3.12Å; F159-P199 HydrophobicContact CE2-CB 3.59Å; F159-P199 HydrophobicContact CE2-CG 3.87Å; F159-P199 HydrophobicContact CZ-CB 3.88Å; F159-P199 HydrophobicContact CZ-CG 3.91Å; F159-E203 HydrophobicContact CD2-CB 4.34Å; F159-E203 HydrophobicContact CE2-CB 3.74Å; F159-E203 WeakPolarHBondContact CE2-O 3.42Å; F159-F204 HydrophobicContact CE1-CD1 4.07Å; F159-F204 HydrophobicContact CE1-CE1 4.08Å; F159-F204 AromaticContact CZ-CD1 3.66Å; F159-F204 HydrophobicContact CZ-CD1 3.66Å; F159-F204 HydrophobicContact CZ-CD2 4.32Å; F159-F204 AromaticContact CZ-CE1 3.8Å; F159-F204 HydrophobicContact CZ-CE1 3.8Å; F159-F204 HydrophobicContact CZ-CE2 4.44Å; F159-F204 AromaticContact CZ-CG 3.92Å; F159-F204 HydrophobicContact CZ-CG 3.92Å; F159-F204 HydrophobicContact CZ-CZ 4.19Å; F159-C207 HydrophobicContact CB-CB 4.46Å; F159-C207 HydrophobicContact CD1-CB 3.82Å; F159-C207 WeakPolarHBondContact CD1-SG 3.43Å; F159-C207 HydrophobicContact CD2-CB 4.14Å; F159-C207 HydrophobicContact CE1-CB 4.04Å; F159-C207 HydrophobicContact CE2-CB 4.36Å; F159-C207 HydrophobicContact CG-CB 3.86Å; F159-C207 HydrophobicContact CZ-CB 4.3Å; F159-V244 HydrophobicContact CD1-CG2 4.06Å; F159-V244 HydrophobicContact CE1-CG1 4.09Å; F159-V244 HydrophobicContact CE1-CG2 3.87Å
160V91.9Very high90.3Very high0 Ų035.9 Ų35.90%018%0.175CC..Hα-helixtrans-56.2-44.5175.7159.30000111.3V156 E157 F158 L163 Q164 P240 M243 V244 V384V156-V160 HydrophobicContact CG1-CG2 4.27Å; V156-V160 VanDerWaalsContact O-CB 3.3Å; V156-V160 WeakPolarHBondContact O-CB 3.43Å; V156-V160 WeakPolarHBondContact O-CG2 3.41Å; V156-V160 PolarHBondContact O-N 3.37Å; E157-V160 PolarHBondContact O-N 3.32Å; F158-V160 PolarHBondContact O-N 2.92Å; V160-L163 PolarHBondContact O-N 3.04Å; V160-Q164 WeakPolarHBondContact O-CB 3.25Å; V160-Q164 PolarHBondContact O-N 2.85Å; V160-P240 HydrophobicContact CG2-CB 3.78Å; V160-M243 HydrophobicContact CB-CE 3.88Å; V160-M243 HydrophobicContact CG1-CE 3.48Å; V160-M243 VanDerWaalsContact CG1-CE 3.48Å; V160-M243 HydrophobicContact CG2-CE 3.86Å; V160-V244 HydrophobicContact CG2-CG2 4.39Å; V160-V384 HydrophobicContact CG1-CG1 4.11Å
161T90.3Very high90Very high25 Ų2538 Ų3815%0.15319%0.192CC..Hα-helixtrans-67.1-40.6177.4-65.50000112.1E157 F158 F159 K165 K388E157-T161 WeakPolarHBondContact O-CB 3.38Å; E157-T161 PolarHBondContact O-N 2.86Å; E157-T161 PolarHBondContact O-OG1 2.64Å; F158-T161 PolarHBondContact O-N 2.84Å; F159-T161 VanDerWaalsContact C-N 3.3Å; F159-T161 PolarHBondContact O-N 3Å; T161-K165 HydrophobicContact CG2-CD 4.18Å; T161-K165 WeakPolarHBondContact O-CB 3.38Å; T161-K165 VanDerWaalsContact O-CG 3.31Å; T161-K165 WeakPolarHBondContact O-CG 3.34Å; T161-K165 PolarHBondContact O-N 2.77Å; T161-K388 VanDerWaalsContact OG1-CE 3.24Å; T161-K388 WeakPolarHBondContact OG1-CE 3.21Å; T161-K388 PolarHBondContact OG1-NZ 2.64Å
162K90.8Very high89.8Confident77 Ų7738.5 Ų38.534%0.33519%0.194SC..Hα-helixtrans-61.8-45.4175179.1-179.4173.9-178.60110.6F158 F159 K165 A166 E203F158-K162 HydrophobicContact CE1-CB 4.38Å; F158-K162 HydrophobicContact CE1-CD 4.2Å; F158-K162 WeakPolarHBondContact O-CB 3.25Å; F158-K162 PolarHBondContact O-N 3.12Å; F159-K162 WeakPolarHBondContact O-CB 3.31Å; F159-K162 PolarHBondContact O-N 3.37Å; F159-K162 VanDerWaalsContact O-N 3.16Å; K162-K165 PolarHBondContact O-N 3.06Å; K162-A166 PolarHBondContact O-N 3.35Å; K162-E203 IonicContact NZ-OE1 3.27Å; K162-E203 PolarHBondContact NZ-OE1 2.93Å; K162-E203 IonicContact NZ-OE2 3.67Å; K162-E203 PolarHBondContact NZ-OE2 2.93Å
163L91.3Very high89.2Confident13 Ų1339.1 Ų39.17%0.06820%0.197CC..Hα-helixtrans-61.2-46.3178.8-179.261.1000111.6F159 V160 A166 A167 P199 F204 M243 V244 A247F159-L163 HydrophobicContact CE1-CB 4.49Å; F159-L163 HydrophobicContact CE1-CD2 4.14Å; F159-L163 WeakPolarHBondContact O-CB 3.32Å; F159-L163 PolarHBondContact O-N 3.12Å; V160-L163 PolarHBondContact O-N 3.04Å; L163-A166 PolarHBondContact O-N 3.23Å; L163-A167 PolarHBondContact O-N 3.32Å; L163-P199 HydrophobicContact CB-CG 4.44Å; L163-P199 HydrophobicContact CD1-CG 3.97Å; L163-F204 HydrophobicContact CD1-CE1 4.35Å; L163-F204 HydrophobicContact CD1-CZ 3.89Å; L163-F204 HydrophobicContact CD2-CE1 4.29Å; L163-M243 HydrophobicContact CD2-CE 3.95Å; L163-V244 HydrophobicContact CD2-CG2 4.34Å; L163-A247 HydrophobicContact CD1-CB 3.85Å; L163-A247 HydrophobicContact CD2-CB 3.66Å; L163-A247 HydrophobicContact CG-CB 4.21Å
164Q90Very high88.7Confident30 Ų3041 Ų4114%0.1421%0.21CC..Hα-helixtrans-61-47.8177-175.864.323.400111.9V160 A166 A167 E168 N381V160-Q164 WeakPolarHBondContact O-CB 3.25Å; V160-Q164 PolarHBondContact O-N 2.85Å; Q164-A166 PolarHBondContact O-N 3.44Å; Q164-A167 PolarHBondContact O-N 3.01Å; Q164-A167 VanDerWaalsContact O-N 3.16Å; Q164-E168 WeakPolarHBondContact CG-OE1 3.39Å; Q164-E168 PolarHBondContact NE2-OE1 3.27Å; Q164-E168 WeakPolarHBondContact O-CG 3.4Å; Q164-E168 PolarHBondContact O-N 2.96Å; Q164-N381 PolarHBondContact NE2-OD1 2.85Å
165K88.9Confident88.3Confident136 Ų13647.2 Ų47.259%0.59123%0.231SC*.Hα-helixtrans-59.2-37.4177.1-75174.6179.3175.40111.9T161 K162 A169T161-K165 HydrophobicContact CG2-CD 4.18Å; T161-K165 WeakPolarHBondContact O-CB 3.38Å; T161-K165 VanDerWaalsContact O-CG 3.31Å; T161-K165 WeakPolarHBondContact O-CG 3.34Å; T161-K165 PolarHBondContact O-N 2.77Å; K162-K165 PolarHBondContact O-N 3.06Å; K165-A169 WeakPolarHBondContact O-CB 3.16Å; K165-A169 PolarHBondContact O-N 2.62Å
166A88.8Confident87.6Confident7 Ų752.8 Ų52.86%0.05825%0.252CS..Hα-helixtrans-67.8-43.3176.400000112.3K162 L163 Q164 A169 F170 R195 K197K162-A166 PolarHBondContact O-N 3.35Å; L163-A166 PolarHBondContact O-N 3.23Å; Q164-A166 PolarHBondContact O-N 3.44Å; A166-A169 PolarHBondContact O-N 2.85Å; A166-F170 WeakPolarHBondContact O-CB 3.3Å; A166-F170 PolarHBondContact O-N 3.24Å; A166-R195 VanDerWaalsContact CA-O 3.3Å; A166-R195 WeakPolarHBondContact CA-O 3.29Å; A166-K197 WeakPolarHBondContact CB-O 3.36Å
167A87.7Confident86.7Confident31 Ų3158.8 Ų58.826%0.25628%0.278SS..Hα-helixtrans-63.7-40.5177.100000112.7L163 Q164 F170 S171L163-A167 PolarHBondContact O-N 3.32Å; Q164-A167 PolarHBondContact O-N 3.01Å; Q164-A167 VanDerWaalsContact O-N 3.16Å; A167-F170 PolarHBondContact O-N 2.79Å; A167-S171 WeakPolarHBondContact O-CB 3.34Å; A167-S171 PolarHBondContact O-N 3.3Å; A167-S171 PolarHBondContact O-OG 2.9Å
168E87.3Confident85.8Confident102 Ų10265.6 Ų65.648%0.47731%0.307SS..Hα-helixtrans-65.2-46.2175.4-73171.8-171.300111.8Q164 F170 S171 E172Q164-E168 WeakPolarHBondContact CG-OE1 3.39Å; Q164-E168 PolarHBondContact NE2-OE1 3.27Å; Q164-E168 WeakPolarHBondContact O-CG 3.4Å; Q164-E168 PolarHBondContact O-N 2.96Å; E168-F170 VanDerWaalsContact C-N 3.29Å; E168-F170 PolarHBondContact O-N 3.47Å; E168-S171 PolarHBondContact O-N 3.49Å; E168-E172 WeakPolarHBondContact O-CB 3.43Å; E168-E172 PolarHBondContact O-N 3.29Å
169A85.6Confident84.6Confident11 Ų1164.4 Ų64.49%0.09132%0.32CS..Hα-helixtrans-61.4-38.6175.700000111.9K165 A166 L173 R195K165-A169 WeakPolarHBondContact O-CB 3.16Å; K165-A169 PolarHBondContact O-N 2.62Å; A166-A169 PolarHBondContact O-N 2.85Å; A169-L173 VanDerWaalsContact O-CB 3.27Å; A169-L173 WeakPolarHBondContact O-CB 3.43Å; A169-L173 PolarHBondContact O-N 2.83Å; A169-R195 HydrophobicContact CB-CB 3.81Å
170F84.3Confident83.1Confident73 Ų7370 Ų7032%0.3234%0.344SS..Hα-helixtrans-64.7-45.6175.4-175.7-95.3000112A166 A167 E168 E172 L173 S174 Y372A166-F170 WeakPolarHBondContact O-CB 3.3Å; A166-F170 PolarHBondContact O-N 3.24Å; A167-F170 PolarHBondContact O-N 2.79Å; E168-F170 VanDerWaalsContact C-N 3.29Å; E168-F170 PolarHBondContact O-N 3.47Å; F170-E172 PolarHBondContact O-N 2.64Å; F170-L173 PolarHBondContact O-N 2.83Å; F170-S174 WeakPolarHBondContact O-CB 3.37Å; F170-S174 PolarHBondContact O-N 3.27Å; F170-Y372 AromaticContact CE1-CD2 3.99Å; F170-Y372 HydrophobicContact CE1-CD2 3.99Å; F170-Y372 HydrophobicContact CE1-CE2 4.36Å; F170-Y372 HydrophobicContact CE1-CG 4.3Å; F170-Y372 HydrophobicContact CZ-CD2 4.19Å; F170-Y372 HydrophobicContact CZ-CE2 4.26Å
171S84.3Confident81.4Confident69 Ų6980.2 Ų80.248%0.48339%0.389SS..Hα-helixtrans-60.8-45.5177.7-63.60000111.5A167 E168 S174 R175A167-S171 WeakPolarHBondContact O-CB 3.34Å; A167-S171 PolarHBondContact O-N 3.3Å; A167-S171 PolarHBondContact O-OG 2.9Å; E168-S171 PolarHBondContact O-N 3.49Å; S171-S174 PolarHBondContact O-N 2.89Å; S171-S174 PolarHBondContact O-OG 2.96Å; S171-R175 PolarHBondContact O-N 3.25Å
172E85.5Confident79.8Confident46 Ų4682.8 Ų82.822%0.21542%0.42CS..Hα-helixtrans-64.2-41.6177177.758.4-167.500112.3E168 F170 S174 R175 R176E168-E172 WeakPolarHBondContact O-CB 3.43Å; E168-E172 PolarHBondContact O-N 3.29Å; F170-E172 PolarHBondContact O-N 2.64Å; E172-S174 VanDerWaalsContact C-N 3.35Å; E172-S174 PolarHBondContact O-N 3.35Å; E172-R175 VanDerWaalsContact CD-NH2 3.32Å; E172-R175 PolarHBondContact O-N 3.31Å; E172-R175 IonicContact OE1-NH2 3.16Å; E172-R175 PolarHBondContact OE1-NH2 3.03Å; E172-R175 VanDerWaalsContact OE1-NH2 3.1Å; E172-R175 IonicContact OE2-CZ 3.62Å; E172-R175 IonicContact OE2-NE 2.74Å; E172-R175 PolarHBondContact OE2-NE 3.38Å; E172-R175 IonicContact OE2-NH2 2.82Å; E172-R175 PolarHBondContact OE2-NH2 3.29Å; E172-R176 WeakPolarHBondContact O-CG 3.39Å; E172-R176 PolarHBondContact O-N 2.87Å; E172-R176 IonicContact OE1-CZ 2.71Å; E172-R176 IonicContact OE1-NE 3.33Å; E172-R176 PolarHBondContact OE1-NE 3.44Å; E172-R176 IonicContact OE1-NH2 2.79Å; E172-R176 PolarHBondContact OE1-NH2 3.47Å
173L80.7Confident78.5Confident13 Ų1387.7 Ų87.77%0.06844%0.441CS..Hα-helixtrans-63.3-41.3175.1-175.8149.3000111.5A169 F170 R175 R176 K177 L192 S193A169-L173 VanDerWaalsContact O-CB 3.27Å; A169-L173 WeakPolarHBondContact O-CB 3.43Å; A169-L173 PolarHBondContact O-N 2.83Å; F170-L173 PolarHBondContact O-N 2.83Å; L173-R175 PolarHBondContact O-N 3.36Å; L173-R176 PolarHBondContact O-N 3.43Å; L173-K177 HydrophobicContact CD2-CD 3.78Å; L173-K177 HydrophobicContact CD2-CG 4.35Å; L173-K177 WeakPolarHBondContact O-CG 3.32Å; L173-K177 PolarHBondContact O-N 3.06Å; L173-L192 HydrophobicContact CD1-CB 4.49Å; L173-S193 VanDerWaalsContact CD1-CA 3.49Å
174S81.1Confident77.1Confident42 Ų4297 Ų9729%0.29448%0.481SS..Hα-helixtrans-64.7-38.3177.283.30000112.2F170 S171 E172 K177 K178F170-S174 WeakPolarHBondContact O-CB 3.37Å; F170-S174 PolarHBondContact O-N 3.27Å; S171-S174 PolarHBondContact O-N 2.89Å; S171-S174 PolarHBondContact O-OG 2.96Å; E172-S174 VanDerWaalsContact C-N 3.35Å; E172-S174 PolarHBondContact O-N 3.35Å; S174-K177 PolarHBondContact O-N 3.28Å; S174-K178 PolarHBondContact O-N 3.49Å
175R82.6Confident75.6Confident166 Ų166103.9 Ų103.963%0.62651%0.511SS*.Hα-helixtrans-63.4-45175.3-170.9176.870.3138.33.3111.3S171 E172 L173 K177 K178 G179S171-R175 PolarHBondContact O-N 3.25Å; E172-R175 VanDerWaalsContact CD-NH2 3.32Å; E172-R175 PolarHBondContact O-N 3.31Å; E172-R175 IonicContact OE1-NH2 3.16Å; E172-R175 PolarHBondContact OE1-NH2 3.03Å; E172-R175 VanDerWaalsContact OE1-NH2 3.1Å; E172-R175 IonicContact OE2-CZ 3.62Å; E172-R175 IonicContact OE2-NE 2.74Å; E172-R175 PolarHBondContact OE2-NE 3.38Å; E172-R175 IonicContact OE2-NH2 2.82Å; E172-R175 PolarHBondContact OE2-NH2 3.29Å; L173-R175 PolarHBondContact O-N 3.36Å; R175-K177 PolarHBondContact O-N 3.06Å; R175-K178 PolarHBondContact O-N 3.27Å; R175-G179 PolarHBondContact O-N 3.49Å; R175-G179 VanDerWaalsContact O-N 3.1Å
176R77.6Confident74.4Confident126 Ų12698.4 Ų98.448%0.47549%0.493SS..Hα-helixtrans-64.3-37.4176.6-70.2178.8-173.9-151.32112.7E172 L173 G179 K180 L192E172-R176 WeakPolarHBondContact O-CG 3.39Å; E172-R176 PolarHBondContact O-N 2.87Å; E172-R176 IonicContact OE1-CZ 2.71Å; E172-R176 IonicContact OE1-NE 3.33Å; E172-R176 PolarHBondContact OE1-NE 3.44Å; E172-R176 IonicContact OE1-NH2 2.79Å; E172-R176 PolarHBondContact OE1-NH2 3.47Å; L173-R176 PolarHBondContact O-N 3.43Å; R176-G179 PolarHBondContact O-N 3.27Å; R176-K180 PolarHBondContact O-N 3.06Å; R176-L192 VanDerWaalsContact NH1-CD1 3.27Å
177K74.3Confident72.8Confident126 Ų126104.6 Ų104.655%0.54853%0.533SS..Hα-helixtrans-68-39.1174.7-77.1-176176.1175.20112.8L173 S174 R175 G179 K180L173-K177 HydrophobicContact CD2-CD 3.78Å; L173-K177 HydrophobicContact CD2-CG 4.35Å; L173-K177 WeakPolarHBondContact O-CG 3.32Å; L173-K177 PolarHBondContact O-N 3.06Å; S174-K177 PolarHBondContact O-N 3.28Å; R175-K177 PolarHBondContact O-N 3.06Å; K177-G179 VanDerWaalsContact C-N 3.34Å; K177-K180 PolarHBondContact O-N 3.09Å
178K73.4Confident71.6Confident180 Ų180105 Ų10578%0.78354%0.54SS*.Hα-helixtrans-66.6-33.8175.6-76.2-179.9-179.6175.30112.8S174 R175S174-K178 PolarHBondContact O-N 3.49Å; R175-K178 PolarHBondContact O-N 3.27Å
179G65.6Low70.5Confident66 Ų66102.6 Ų102.668%0.6853%0.529SS*.Hα-helixtrans-81.3-13.7178.400000115.9R175 R176 K177R175-G179 PolarHBondContact O-N 3.49Å; R175-G179 VanDerWaalsContact O-N 3.1Å; R176-G179 PolarHBondContact O-N 3.27Å; K177-G179 VanDerWaalsContact C-N 3.34Å
180K63.9Low69.7Low131 Ų131104.8 Ų104.857%0.5755%0.552SS**  trans-13072.3-179.1-72.1-178.2178.21750111.6R176 K177 G182R176-K180 PolarHBondContact O-N 3.06Å; K177-K180 PolarHBondContact O-N 3.09Å; K180-G182 VanDerWaalsContact C-N 3.32Å; K180-G182 PolarHBondContact O-N 3.09Å
181K56.3Low69.1Low214 Ų214105.1 Ų105.193%0.9356%0.56SS**SBendtrans-69.290.4159.4-99.4-177.2173.21790108.3
182G56.8Low68.5Low79 Ų79103.4 Ų103.481%0.81455%0.545SS*.SBendtrans117.513.2161.900000119.7K180K180-G182 VanDerWaalsContact C-N 3.32Å; K180-G182 PolarHBondContact O-N 3.09Å
183K62Low68Low180 Ų180103.9 Ų103.978%0.78355%0.554SS**  trans-111.9139.7171-101.1179.3178.5174.20112.3
184K62.2Low67.6Low208 Ų208108.9 Ų108.990%0.90458%0.58SS**  trans-47.7143.6-178.9-135.9175.5-174.2177.70111.7G186K184-G186 PolarHBondContact O-N 3.08Å
185K58.9Low67.4Low175 Ų175115 Ų11576%0.76160%0.597SS**  trans-44.2124.8-176.2-73.2-178.4175.6174.50111.4E189K185-E189 WeakPolarHBondContact CA-OE2 3.18Å; K185-E189 WeakPolarHBondContact CB-OE2 3.49Å
186G63.1Low67.2Low21 Ų21107.7 Ų107.722%0.21657%0.571CS.*  trans-74.6156.9-177.700000112.3K184 G188 E189K184-G186 PolarHBondContact O-N 3.08Å; G186-G188 PolarHBondContact O-N 3.3Å; G186-E189 PolarHBondContact N-OE2 3.26Å; G186-E189 VanDerWaalsContact O-CB 3.29Å; G186-E189 WeakPolarHBondContact O-CB 3.26Å; G186-E189 PolarHBondContact O-N 2.73Å; G186-E189 VanDerWaalsContact O-N 3.12Å
187P56.3Low67.4Low138 Ų138108.1 Ų108.190%0.89658%0.576SS**THydrogen-bonded Turntrans-53.3131169.3-20.731.1000110.4
188G62.2Low67.7Low39 Ų39106.4 Ų106.440%0.40258%0.578SS.*THydrogen-bonded Turntrans87.4-5.9-178.300000116.2G186 G190 V191 L192G186-G188 PolarHBondContact O-N 3.3Å; G188-G190 VanDerWaalsContact C-N 3.31Å; G188-G190 PolarHBondContact O-N 3.16Å; G188-V191 PolarHBondContact O-N 3.46Å; G188-L192 PolarHBondContact O-N 3.02Å
189E63.3Low68.5Low52 Ų5298.2 Ų98.224%0.24354%0.543CS..Hα-helixtrans-66.1-32.3176.3-167.5174.2158.400112.6K185 G186 S193K185-E189 WeakPolarHBondContact CA-OE2 3.18Å; K185-E189 WeakPolarHBondContact CB-OE2 3.49Å; G186-E189 PolarHBondContact N-OE2 3.26Å; G186-E189 VanDerWaalsContact O-CB 3.29Å; G186-E189 WeakPolarHBondContact O-CB 3.26Å; G186-E189 PolarHBondContact O-N 2.73Å; G186-E189 VanDerWaalsContact O-N 3.12Å; E189-S193 VanDerWaalsContact O-CB 3.26Å; E189-S193 WeakPolarHBondContact O-CB 3.15Å; E189-S193 PolarHBondContact O-N 3.38Å
190G68.9Low69.7Low57 Ų5797.8 Ų97.859%0.58853%0.53SS*.Hα-helixtrans-66-38.8173.500000113.2G188 S193 L194G188-G190 VanDerWaalsContact C-N 3.31Å; G188-G190 PolarHBondContact O-N 3.16Å; G190-S193 PolarHBondContact O-N 2.89Å; G190-L194 PolarHBondContact O-N 2.92Å; G190-L194 VanDerWaalsContact O-N 3.08Å
191V72.8Confident71Confident80 Ų8098.1 Ų98.149%0.48553%0.533SS..Hα-helixtrans-70.5-43.1177.6179.80000110.8G188 S193 L194 R195G188-V191 PolarHBondContact O-N 3.46Å; V191-S193 VanDerWaalsContact C-N 3.33Å; V191-S193 PolarHBondContact O-N 3.47Å; V191-L194 PolarHBondContact O-N 3.28Å; V191-R195 WeakPolarHBondContact O-CG 3.45Å; V191-R195 PolarHBondContact O-N 3.22Å
192L70.9Confident72.6Confident32 Ų3295.6 Ų95.617%0.16853%0.525CS..Hα-helixtrans-64-39.3175.3-73.5169.7000112L173 R176 G188 L194 R195 S196L173-L192 HydrophobicContact CD1-CB 4.49Å; R176-L192 VanDerWaalsContact NH1-CD1 3.27Å; G188-L192 PolarHBondContact O-N 3.02Å; L192-L194 VanDerWaalsContact C-N 3.29Å; L192-L194 PolarHBondContact O-N 3.24Å; L192-R195 PolarHBondContact O-N 2.94Å; L192-S196 WeakPolarHBondContact O-CB 3.31Å; L192-S196 PolarHBondContact O-N 3.16Å; L192-S196 PolarHBondContact O-OG 3.13Å
193S74.7Confident74.3Confident56 Ų5694.9 Ų94.939%0.39250%0.5SS..Hα-helixtrans-66.6-30176-172.70000113.3L173 E189 G190 V191 S196L173-S193 VanDerWaalsContact CD1-CA 3.49Å; E189-S193 VanDerWaalsContact O-CB 3.26Å; E189-S193 WeakPolarHBondContact O-CB 3.15Å; E189-S193 PolarHBondContact O-N 3.38Å; G190-S193 PolarHBondContact O-N 2.89Å; V191-S193 VanDerWaalsContact C-N 3.33Å; V191-S193 PolarHBondContact O-N 3.47Å; S193-S196 WeakPolarHBondContact CA-OG 3.26Å; S193-S196 PolarHBondContact O-OG 3.33Å; S193-S196 VanDerWaalsContact O-OG 3.07Å
194L73.8Confident75.8Confident119 Ų11986.8 Ų86.862%0.62347%0.465SS*.Hα-helixtrans-74-42.1174.1-170.768.2000110.7G190 V191 L192 S196 K197G190-L194 PolarHBondContact O-N 2.92Å; G190-L194 VanDerWaalsContact O-N 3.08Å; V191-L194 PolarHBondContact O-N 3.28Å; L192-L194 VanDerWaalsContact C-N 3.29Å; L192-L194 PolarHBondContact O-N 3.24Å; L194-S196 VanDerWaalsContact C-N 3.3Å; L194-S196 PolarHBondContact O-N 2.84Å; L194-K197 HydrophobicContact CD1-CD 4.42Å; L194-K197 PolarHBondContact O-N 3.09Å
195R76Confident77.3Confident171 Ų17178.8 Ų78.865%0.64543%0.433SS*.Hα-helixtrans-68.7-25.5178.1-70.7179.6-178.7-1760.5113.4A166 A169 V191 L192 K197A166-R195 VanDerWaalsContact CA-O 3.3Å; A166-R195 WeakPolarHBondContact CA-O 3.29Å; A169-R195 HydrophobicContact CB-CB 3.81Å; V191-R195 WeakPolarHBondContact O-CG 3.45Å; V191-R195 PolarHBondContact O-N 3.22Å; L192-R195 PolarHBondContact O-N 2.94Å; R195-K197 VanDerWaalsContact C-N 3.29Å; R195-K197 PolarHBondContact O-N 2.79Å
196S79.1Confident79Confident12 Ų1273 Ų738%0.08441%0.411CS..THydrogen-bonded Turntrans-82.2-1179.466.60000114.5L192 S193 L194L192-S196 WeakPolarHBondContact O-CB 3.31Å; L192-S196 PolarHBondContact O-N 3.16Å; L192-S196 PolarHBondContact O-OG 3.13Å; S193-S196 WeakPolarHBondContact CA-OG 3.26Å; S193-S196 PolarHBondContact O-OG 3.33Å; S193-S196 VanDerWaalsContact O-OG 3.07Å; L194-S196 VanDerWaalsContact C-N 3.3Å; L194-S196 PolarHBondContact O-N 2.84Å
197K80.4Confident80.5Confident135 Ų13572 Ų7259%0.58740%0.401SS*.PPolyproline II helixtrans-70.8126.7178.1-71.6-173.5176.1-175.80109.1A166 L194 R195A166-K197 WeakPolarHBondContact CB-O 3.36Å; L194-K197 HydrophobicContact CD1-CD 4.42Å; L194-K197 PolarHBondContact O-N 3.09Å; R195-K197 VanDerWaalsContact C-N 3.29Å; R195-K197 PolarHBondContact O-N 2.79Å
198P80.6Confident82.4Confident89 Ų8965.4 Ų65.458%0.57836%0.358SS*.PPolyproline II helixtrans-64.8158.6174.628.9-34.2000110.4
199P89.9Confident83.9Confident9 Ų965.2 Ų65.26%0.05835%0.347CS..PPolyproline II helixtrans-53.9152.9167.4-21.733.4000111.3F159 L163 E203 F204F159-P199 HydrophobicContact CE2-CB 3.59Å; F159-P199 HydrophobicContact CE2-CG 3.87Å; F159-P199 HydrophobicContact CZ-CB 3.88Å; F159-P199 HydrophobicContact CZ-CG 3.91Å; L163-P199 HydrophobicContact CB-CG 4.44Å; L163-P199 HydrophobicContact CD1-CG 3.97Å; P199-E203 WeakPolarHBondContact CA-OE2 3.45Å; P199-E203 HydrophobicContact CB-CB 4.22Å; P199-F204 HydrophobicContact CB-CD2 4.23Å; P199-F204 HydrophobicContact CB-CE2 3.85Å; P199-F204 HydrophobicContact CB-CZ 4.39Å; P199-F204 HydrophobicContact CG-CE2 4.24Å; P199-F204 HydrophobicContact CG-CZ 4.33Å; P199-F204 WeakPolarHBondContact O-CE2 3.31Å
200S91.1Very high85.4Confident57 Ų5763 Ų6340%0.39934%0.336SS..PPolyproline II helixtrans-71.5159.1175.261.10000111.5E202 E203 F204S200-E202 PolarHBondContact O-N 2.92Å; S200-E203 PolarHBondContact N-OE2 2.82Å; S200-E203 PolarHBondContact O-N 3.27Å; S200-E203 VanDerWaalsContact O-N 3.07Å; S200-E203 VanDerWaalsContact OG-CG 3.32Å; S200-E203 WeakPolarHBondContact OG-CG 3.44Å; S200-E203 PolarHBondContact OG-OE2 3.31Å; S200-E203 VanDerWaalsContact OG-OE2 3.08Å; S200-F204 VanDerWaalsContact O-CD2 3.29Å; S200-F204 WeakPolarHBondContact O-CD2 3.26Å; S200-F204 PolarHBondContact O-N 3.5Å
201E91.2Very high86.7Confident137 Ų13760.2 Ų60.264%0.6431%0.308SS*.Hα-helixtrans-57.6-38.3179.2-170.8174.4167.900112.2E203 F204 V205 L253E201-E203 VanDerWaalsContact C-N 3.32Å; E201-E203 PolarHBondContact O-N 3.48Å; E201-F204 WeakPolarHBondContact O-CB 3.33Å; E201-F204 PolarHBondContact O-N 3.44Å; E201-F204 VanDerWaalsContact O-N 3.15Å; E201-V205 WeakPolarHBondContact O-CG2 3.38Å; E201-V205 PolarHBondContact O-N 3Å; E201-L253 HydrophobicContact CG-CD1 3.78Å; E201-L253 HydrophobicContact CG-CD2 4.12Å; E201-L253 WeakPolarHBondContact OE1-CD1 3.09Å
202E91Very high87.8Confident162 Ų16256.4 Ų56.476%0.75729%0.285SS*.Hα-helixtrans-60.1-39.5175.5-63.8178.2-173.600112.4S200 F204 V205 D206S200-E202 PolarHBondContact O-N 2.92Å; E202-F204 VanDerWaalsContact C-N 3.35Å; E202-V205 PolarHBondContact O-N 3.45Å; E202-D206 WeakPolarHBondContact O-CB 3.44Å; E202-D206 PolarHBondContact O-N 3.17Å
203E92.3Very high89Confident63 Ų6356.5 Ų56.529%0.29428%0.284SS..Hα-helixtrans-70.8-31.6177.2-64.7174.5104.400112.1F159 K162 P199 S200 E201 C207F159-E203 HydrophobicContact CD2-CB 4.34Å; F159-E203 HydrophobicContact CE2-CB 3.74Å; F159-E203 WeakPolarHBondContact CE2-O 3.42Å; K162-E203 IonicContact NZ-OE1 3.27Å; K162-E203 PolarHBondContact NZ-OE1 2.93Å; K162-E203 IonicContact NZ-OE2 3.67Å; K162-E203 PolarHBondContact NZ-OE2 2.93Å; P199-E203 WeakPolarHBondContact CA-OE2 3.45Å; P199-E203 HydrophobicContact CB-CB 4.22Å; S200-E203 PolarHBondContact N-OE2 2.82Å; S200-E203 PolarHBondContact O-N 3.27Å; S200-E203 VanDerWaalsContact O-N 3.07Å; S200-E203 VanDerWaalsContact OG-CG 3.32Å; S200-E203 WeakPolarHBondContact OG-CG 3.44Å; S200-E203 PolarHBondContact OG-OE2 3.31Å; S200-E203 VanDerWaalsContact OG-OE2 3.08Å; E201-E203 VanDerWaalsContact C-N 3.32Å; E201-E203 PolarHBondContact O-N 3.48Å; E203-C207 VanDerWaalsContact O-CB 3.3Å; E203-C207 WeakPolarHBondContact O-CB 3.26Å; E203-C207 PolarHBondContact O-N 2.87Å
204F94.2Very high89.9Confident10 Ų1053.9 Ų53.94%0.04427%0.266CS..Hα-helixtrans-66.1-44.8171.2-81.7-81.1000111.2F159 L163 P199 S200 E201 E202 C207 L208 V244 A247 L253F159-F204 HydrophobicContact CE1-CD1 4.07Å; F159-F204 HydrophobicContact CE1-CE1 4.08Å; F159-F204 AromaticContact CZ-CD1 3.66Å; F159-F204 HydrophobicContact CZ-CD1 3.66Å; F159-F204 HydrophobicContact CZ-CD2 4.32Å; F159-F204 AromaticContact CZ-CE1 3.8Å; F159-F204 HydrophobicContact CZ-CE1 3.8Å; F159-F204 HydrophobicContact CZ-CE2 4.44Å; F159-F204 AromaticContact CZ-CG 3.92Å; F159-F204 HydrophobicContact CZ-CG 3.92Å; F159-F204 HydrophobicContact CZ-CZ 4.19Å; L163-F204 HydrophobicContact CD1-CE1 4.35Å; L163-F204 HydrophobicContact CD1-CZ 3.89Å; L163-F204 HydrophobicContact CD2-CE1 4.29Å; P199-F204 HydrophobicContact CB-CD2 4.23Å; P199-F204 HydrophobicContact CB-CE2 3.85Å; P199-F204 HydrophobicContact CB-CZ 4.39Å; P199-F204 HydrophobicContact CG-CE2 4.24Å; P199-F204 HydrophobicContact CG-CZ 4.33Å; P199-F204 WeakPolarHBondContact O-CE2 3.31Å; S200-F204 VanDerWaalsContact O-CD2 3.29Å; S200-F204 WeakPolarHBondContact O-CD2 3.26Å; S200-F204 PolarHBondContact O-N 3.5Å; E201-F204 WeakPolarHBondContact O-CB 3.33Å; E201-F204 PolarHBondContact O-N 3.44Å; E201-F204 VanDerWaalsContact O-N 3.15Å; E202-F204 VanDerWaalsContact C-N 3.35Å; F204-C207 PolarHBondContact O-N 3.18Å; F204-L208 WeakPolarHBondContact O-CB 3.42Å; F204-L208 WeakPolarHBondContact O-CD1 3.28Å; F204-L208 VanDerWaalsContact O-CG 3.25Å; F204-L208 WeakPolarHBondContact O-CG 3.49Å; F204-L208 PolarHBondContact O-N 3.27Å; F204-V244 HydrophobicContact CD1-CG1 3.79Å; F204-V244 HydrophobicContact CE1-CG1 4.23Å; F204-A247 HydrophobicContact CE1-CB 3.98Å; F204-A247 HydrophobicContact CZ-CB 4.13Å; F204-L253 HydrophobicContact CB-CD2 3.6Å; F204-L253 HydrophobicContact CG-CD2 4.25Å
205V93.6Very high91Very high40 Ų4048.2 Ų48.224%0.24224%0.236CC..Hα-helixtrans-59.6-51.1176.3171.20000110.2E201 E202 C207 L208 Q209 L253 V257E201-V205 WeakPolarHBondContact O-CG2 3.38Å; E201-V205 PolarHBondContact O-N 3Å; E202-V205 PolarHBondContact O-N 3.45Å; V205-C207 VanDerWaalsContact C-N 3.32Å; V205-C207 PolarHBondContact O-N 3.13Å; V205-L208 WeakPolarHBondContact O-CB 3.3Å; V205-L208 PolarHBondContact O-N 3.15Å; V205-L208 VanDerWaalsContact O-N 3.13Å; V205-Q209 HydrophobicContact CG1-CG 4.33Å; V205-Q209 VanDerWaalsContact O-CG 3.26Å; V205-Q209 WeakPolarHBondContact O-CG 3.43Å; V205-Q209 PolarHBondContact O-N 3.41Å; V205-L253 HydrophobicContact CG2-CD1 3.99Å; V205-V257 HydrophobicContact CB-CG2 4.39Å; V205-V257 HydrophobicContact CG1-CG2 4.05Å; V205-V257 HydrophobicContact CG2-CG2 4.14Å
206D93.1Very high91.9Very high53 Ų5341 Ų4128%0.28321%0.211SC..Hα-helixtrans-55.2-45.2177.3175.372.8000112.2E202 Q209 K210E202-D206 WeakPolarHBondContact O-CB 3.44Å; E202-D206 PolarHBondContact O-N 3.17Å; D206-Q209 WeakPolarHBondContact O-CB 3.21Å; D206-Q209 PolarHBondContact O-N 3.15Å; D206-K210 WeakPolarHBondContact O-CG 3.5Å; D206-K210 PolarHBondContact O-N 2.91Å; D206-K210 WeakPolarHBondContact OD1-CE 3.49Å; D206-K210 IonicContact OD1-NZ 3.37Å; D206-K210 PolarHBondContact OD1-NZ 3.48Å; D206-K210 WeakPolarHBondContact OD2-CE 3.5Å; D206-K210 IonicContact OD2-NZ 3.08Å; D206-K210 PolarHBondContact OD2-NZ 3.23Å
207C94.9Very high92.6Very high1 Ų141.3 Ų41.31%0.00721%0.21CC..Hα-helixtrans-63.2-43.5176.7-173.90000112.4F159 E203 F204 V205 Q209 K210 F211F159-C207 HydrophobicContact CB-CB 4.46Å; F159-C207 HydrophobicContact CD1-CB 3.82Å; F159-C207 WeakPolarHBondContact CD1-SG 3.43Å; F159-C207 HydrophobicContact CD2-CB 4.14Å; F159-C207 HydrophobicContact CE1-CB 4.04Å; F159-C207 HydrophobicContact CE2-CB 4.36Å; F159-C207 HydrophobicContact CG-CB 3.86Å; F159-C207 HydrophobicContact CZ-CB 4.3Å; E203-C207 VanDerWaalsContact O-CB 3.3Å; E203-C207 WeakPolarHBondContact O-CB 3.26Å; E203-C207 PolarHBondContact O-N 2.87Å; F204-C207 PolarHBondContact O-N 3.18Å; V205-C207 VanDerWaalsContact C-N 3.32Å; V205-C207 PolarHBondContact O-N 3.13Å; C207-Q209 VanDerWaalsContact C-N 3.34Å; C207-Q209 PolarHBondContact O-N 3.34Å; C207-K210 WeakPolarHBondContact O-CB 3.36Å; C207-K210 PolarHBondContact O-N 3.16Å; C207-K210 VanDerWaalsContact O-N 3.17Å; C207-F211 WeakPolarHBondContact O-CD2 3.26Å; C207-F211 PolarHBondContact O-N 3.08Å
208L95.7Very high93.3Very high0 Ų034.9 Ų34.90%018%0.183CC..Hα-helixtrans-63.1-40.1176.2-73.4164000111.7F204 V205 K210 F211 K212 L241 V244 V245 L253 A254 V257 W289F204-L208 WeakPolarHBondContact O-CB 3.42Å; F204-L208 WeakPolarHBondContact O-CD1 3.28Å; F204-L208 VanDerWaalsContact O-CG 3.25Å; F204-L208 WeakPolarHBondContact O-CG 3.49Å; F204-L208 PolarHBondContact O-N 3.27Å; V205-L208 WeakPolarHBondContact O-CB 3.3Å; V205-L208 PolarHBondContact O-N 3.15Å; V205-L208 VanDerWaalsContact O-N 3.13Å; L208-K210 VanDerWaalsContact C-N 3.29Å; L208-K210 PolarHBondContact O-N 3.25Å; L208-F211 WeakPolarHBondContact O-CB 3.45Å; L208-F211 PolarHBondContact O-N 3.37Å; L208-K212 WeakPolarHBondContact O-CG 3.47Å; L208-K212 PolarHBondContact O-N 3.38Å; L208-L241 HydrophobicContact CD2-CD1 3.97Å; L208-V244 HydrophobicContact CD2-CG1 4.26Å; L208-V244 HydrophobicContact CG-CG1 4.32Å; L208-V245 HydrophobicContact CD2-CG2 4.36Å; L208-L253 HydrophobicContact CD1-CG 4.41Å; L208-A254 HydrophobicContact CD1-CB 4.17Å; L208-A254 HydrophobicContact CD2-CB 4.1Å; L208-V257 HydrophobicContact CB-CB 4.49Å; L208-V257 HydrophobicContact CB-CG1 4.31Å; L208-V257 HydrophobicContact CB-CG2 4.14Å; L208-V257 HydrophobicContact CD1-CG2 4Å; L208-W289 HydrophobicContact CB-CZ2 4.2Å; L208-W289 HydrophobicContact CD2-CH2 4.15Å; L208-W289 HydrophobicContact CD2-CZ2 3.95Å
209Q94.6Very high93.9Very high35 Ų3530.8 Ų30.816%0.16416%0.157CC..Hα-helixtrans-60.9-41173.3-67-177.9-44.600111.3V205 D206 C207 K212 H213 V257 V259V205-Q209 HydrophobicContact CG1-CG 4.33Å; V205-Q209 VanDerWaalsContact O-CG 3.26Å; V205-Q209 WeakPolarHBondContact O-CG 3.43Å; V205-Q209 PolarHBondContact O-N 3.41Å; D206-Q209 WeakPolarHBondContact O-CB 3.21Å; D206-Q209 PolarHBondContact O-N 3.15Å; C207-Q209 VanDerWaalsContact C-N 3.34Å; C207-Q209 PolarHBondContact O-N 3.34Å; Q209-K212 WeakPolarHBondContact O-CB 3.23Å; Q209-K212 PolarHBondContact O-N 2.76Å; Q209-K212 VanDerWaalsContact O-N 3.15Å; Q209-H213 PolarHBondContact O-CD2 3.47Å; Q209-H213 PolarHBondContact O-N 2.7Å; Q209-V257 HydrophobicContact CG-CG1 3.49Å; Q209-V257 VanDerWaalsContact CG-CG1 3.49Å; Q209-V259 VanDerWaalsContact CG-O 3.26Å; Q209-V259 WeakPolarHBondContact CG-O 3.49Å; Q209-V259 PolarHBondContact NE2-O 3.4Å
210K95.1Very high94Very high4 Ų435.7 Ų35.72%0.01718%0.177CC..Hα-helixtrans-62.7-39.4175.4-78.9169.5-177.2164.40112.8I152 D155 V156 D206 C207 L208 K212 H213 A214 L307 R308I152-K210 HydrophobicContact CG2-CB 4.01Å; I152-K210 VanDerWaalsContact CG2-O 3.23Å; I152-K210 WeakPolarHBondContact CG2-O 3.47Å; D155-K210 HydrophobicContact CB-CD 3.76Å; D155-K210 WeakPolarHBondContact OD2-CE 3.19Å; D155-K210 IonicContact OD2-NZ 2.78Å; D155-K210 PolarHBondContact OD2-NZ 3.45Å; V156-K210 HydrophobicContact CG2-CB 4Å; D206-K210 WeakPolarHBondContact O-CG 3.5Å; D206-K210 PolarHBondContact O-N 2.91Å; D206-K210 WeakPolarHBondContact OD1-CE 3.49Å; D206-K210 IonicContact OD1-NZ 3.37Å; D206-K210 PolarHBondContact OD1-NZ 3.48Å; D206-K210 WeakPolarHBondContact OD2-CE 3.5Å; D206-K210 IonicContact OD2-NZ 3.08Å; D206-K210 PolarHBondContact OD2-NZ 3.23Å; C207-K210 WeakPolarHBondContact O-CB 3.36Å; C207-K210 PolarHBondContact O-N 3.16Å; C207-K210 VanDerWaalsContact O-N 3.17Å; L208-K210 VanDerWaalsContact C-N 3.29Å; L208-K210 PolarHBondContact O-N 3.25Å; K210-K212 VanDerWaalsContact C-N 3.34Å; K210-K212 PolarHBondContact O-N 3.47Å; K210-H213 PolarHBondContact O-N 3.26Å; K210-A214 WeakPolarHBondContact O-CB 3.44Å; K210-A214 PolarHBondContact O-N 2.9Å; K210-L307 HydrophobicContact CG-CD1 4.06Å; K210-R308 VanDerWaalsContact CE-O 3.24Å; K210-R308 WeakPolarHBondContact CE-O 3.46Å; K210-R308 PolarHBondContact NZ-O 3.18Å
211F96.4Very high93.9Very high0 Ų033.1 Ų33.10%016%0.159CC..Hα-helixtrans-58.8-44.2170.3-79.5-74.8000112.4V156 C207 L208 A214 F215 L237 P240 L241 V244 W289V156-F211 HydrophobicContact CG1-CE1 3.75Å; V156-F211 HydrophobicContact CG1-CE2 4.02Å; V156-F211 HydrophobicContact CG1-CZ 3.39Å; V156-F211 HydrophobicContact CG2-CE2 4.44Å; V156-F211 HydrophobicContact CG2-CZ 4.43Å; C207-F211 WeakPolarHBondContact O-CD2 3.26Å; C207-F211 PolarHBondContact O-N 3.08Å; L208-F211 WeakPolarHBondContact O-CB 3.45Å; L208-F211 PolarHBondContact O-N 3.37Å; F211-A214 WeakPolarHBondContact O-CB 3.32Å; F211-A214 PolarHBondContact O-N 2.97Å; F211-F215 HydrophobicContact CB-CE2 4.43Å; F211-F215 WeakPolarHBondContact O-CD2 3.41Å; F211-F215 WeakPolarHBondContact O-CG 3.43Å; F211-F215 PolarHBondContact O-N 2.96Å; F211-L237 HydrophobicContact CD1-CB 4.38Å; F211-L237 HydrophobicContact CD1-CD2 3.95Å; F211-L237 HydrophobicContact CE1-CB 4.3Å; F211-L237 HydrophobicContact CE1-CD2 3.74Å; F211-L237 WeakPolarHBondContact CE1-O 3.29Å; F211-P240 HydrophobicContact CE1-CB 3.98Å; F211-P240 HydrophobicContact CZ-CB 3.64Å; F211-L241 HydrophobicContact CB-CD1 4.32Å; F211-L241 HydrophobicContact CD1-CB 4.1Å; F211-L241 HydrophobicContact CD1-CD1 4.35Å; F211-L241 HydrophobicContact CD2-CD1 3.92Å; F211-L241 HydrophobicContact CE1-CB 3.89Å; F211-L241 HydrophobicContact CE2-CD1 4.31Å; F211-L241 HydrophobicContact CG-CD1 3.95Å; F211-L241 HydrophobicContact CZ-CB 4.13Å; F211-V244 HydrophobicContact CE2-CG2 4.13Å; F211-W289 HydrophobicContact CB-CH2 4.08Å; F211-W289 HydrophobicContact CB-CZ3 4.29Å
212K95.6Very high93.8Very high0 Ų030.6 Ų30.60%015%0.145CC..Hα-helixtrans-63.8-42.6178.1-60.6179.286.8-177.50111.6L208 Q209 K210 F215 N216 V257 L258 P260 L262 G288 W289L208-K212 WeakPolarHBondContact O-CG 3.47Å; L208-K212 PolarHBondContact O-N 3.38Å; Q209-K212 WeakPolarHBondContact O-CB 3.23Å; Q209-K212 PolarHBondContact O-N 2.76Å; Q209-K212 VanDerWaalsContact O-N 3.15Å; K210-K212 VanDerWaalsContact C-N 3.34Å; K210-K212 PolarHBondContact O-N 3.47Å; K212-F215 PolarHBondContact O-N 3.24Å; K212-N216 PolarHBondContact O-N 3.27Å; K212-N216 VanDerWaalsContact O-N 3.1Å; K212-V257 HydrophobicContact CD-CG1 4.26Å; K212-V257 PolarHBondContact NZ-O 3.27Å; K212-L258 PolarHBondContact NZ-O 3.21Å; K212-P260 HydrophobicContact CB-CG 3.65Å; K212-P260 WeakPolarHBondContact CD-O 3.13Å; K212-P260 WeakPolarHBondContact CE-O 3.1Å; K212-P260 PolarHBondContact NZ-O 2.88Å; K212-L262 HydrophobicContact CB-CD2 3.88Å; K212-L262 HydrophobicContact CG-CD2 4.37Å; K212-L262 WeakPolarHBondContact O-CD2 3.44Å; K212-G288 VanDerWaalsContact CE-O 3.27Å; K212-G288 WeakPolarHBondContact CE-O 3.43Å; K212-G288 PolarHBondContact NZ-O 3.12Å; K212-W289 HydrophobicContact CD-CD2 4.23Å; K212-W289 HydrophobicContact CD-CE3 4.41Å; K212-W289 HydrophobicContact CD-CH2 4.08Å; K212-W289 HydrophobicContact CD-CZ2 3.85Å; K212-W289 HydrophobicContact CD-CZ3 4.34Å; K212-W289 HydrophobicContact CG-CD2 4.15Å; K212-W289 HydrophobicContact CG-CE3 3.83Å; K212-W289 HydrophobicContact CG-CH2 3.43Å; K212-W289 VanDerWaalsContact CG-CH2 3.43Å; K212-W289 HydrophobicContact CG-CZ2 3.76Å; K212-W289 HydrophobicContact CG-CZ3 3.46Å; K212-W289 VanDerWaalsContact CG-CZ3 3.46Å
213H94.8Very high93.6Very high34 Ų3428.5 Ų28.516%0.15714%0.14CC..Hα-helixtrans-61.4-42.5172.9-80.4-72.4000112.1I152 Q209 K210 F215 N216 Q217 P260 L307I152-H213 HydrophobicContact CD1-CB 3.69Å; Q209-H213 PolarHBondContact O-CD2 3.47Å; Q209-H213 PolarHBondContact O-N 2.7Å; K210-H213 PolarHBondContact O-N 3.26Å; H213-F215 PolarHBondContact O-N 2.92Å; H213-N216 PolarHBondContact O-N 2.78Å; H213-Q217 WeakPolarHBondContact O-CG 3.4Å; H213-Q217 PolarHBondContact O-N 3Å; H213-P260 VanDerWaalsContact CD2-CG 3.44Å; H213-P260 WeakPolarHBondContact CD2-CG 2.92Å; H213-P260 WeakPolarHBondContact NE2-CG 3.25Å; H213-L307 HydrophobicContact CB-CD1 4.5Å
214A95.5Very high93.1Very high0 Ų028.8 Ų28.80%014%0.141CC..Hα-helixtrans-59-48177.200000111.3L149 I152 K210 F211 N216 Q217 L218 L237L149-A214 HydrophobicContact CD1-CB 4.27Å; I152-A214 HydrophobicContact CG2-CB 3.8Å; K210-A214 WeakPolarHBondContact O-CB 3.44Å; K210-A214 PolarHBondContact O-N 2.9Å; F211-A214 WeakPolarHBondContact O-CB 3.32Å; F211-A214 PolarHBondContact O-N 2.97Å; A214-N216 VanDerWaalsContact C-N 3.34Å; A214-N216 PolarHBondContact O-N 3.38Å; A214-Q217 PolarHBondContact O-N 3.37Å; A214-Q217 VanDerWaalsContact O-N 3.14Å; A214-L218 WeakPolarHBondContact O-CB 3.41Å; A214-L218 VanDerWaalsContact O-CG 3.26Å; A214-L218 WeakPolarHBondContact O-CG 3.1Å; A214-L218 PolarHBondContact O-N 3.2Å; A214-L237 HydrophobicContact CB-CD1 3.83Å
215F96.2Very high92.7Very high0 Ų028.5 Ų28.50%014%0.14CC..Hα-helixtrans-62.6-40178.4-65.3-44.6000112.9F211 K212 H213 Q217 L218 A219 V234 L237 F238 L241 L262 L270 W289F211-F215 HydrophobicContact CB-CE2 4.43Å; F211-F215 WeakPolarHBondContact O-CD2 3.41Å; F211-F215 WeakPolarHBondContact O-CG 3.43Å; F211-F215 PolarHBondContact O-N 2.96Å; K212-F215 PolarHBondContact O-N 3.24Å; H213-F215 PolarHBondContact O-N 2.92Å; F215-Q217 VanDerWaalsContact C-N 3.33Å; F215-Q217 PolarHBondContact O-N 3.23Å; F215-L218 HydrophobicContact CD1-CD1 4.35Å; F215-L218 PolarHBondContact O-N 3.41Å; F215-A219 PolarHBondContact O-N 3.13Å; F215-A219 VanDerWaalsContact O-N 3.1Å; F215-V234 HydrophobicContact CD1-CG2 4.45Å; F215-L237 HydrophobicContact CD1-CD1 4.22Å; F215-L237 HydrophobicContact CE1-CB 3.99Å; F215-L237 HydrophobicContact CE1-CD1 3.93Å; F215-L237 HydrophobicContact CZ-CB 4.26Å; F215-F238 HydrophobicContact CZ-CE2 4.45Å; F215-L241 HydrophobicContact CE2-CD2 4.12Å; F215-L241 HydrophobicContact CZ-CD2 4.2Å; F215-L262 HydrophobicContact CB-CD2 4.27Å; F215-L270 HydrophobicContact CB-CD1 4.22Å; F215-L270 HydrophobicContact CD1-CD2 3.69Å; F215-L270 HydrophobicContact CD2-CD1 4.2Å; F215-L270 HydrophobicContact CE1-CD2 3.89Å; F215-L270 HydrophobicContact CG-CD1 4.11Å; F215-L270 HydrophobicContact CG-CD2 4.06Å; F215-L270 HydrophobicContact CZ-CD2 4.42Å; F215-W289 HydrophobicContact CD2-CZ3 4.43Å; F215-W289 HydrophobicContact CE2-CZ3 4.17Å
216N95.2Very high91.8Very high21 Ų2134.4 Ų34.411%0.11217%0.165CC..Hα-helixtrans-61-42173.2-78.4-19.2000112.2K212 H213 A214 K220 L261 L262 S263 A266K212-N216 PolarHBondContact O-N 3.27Å; K212-N216 VanDerWaalsContact O-N 3.1Å; H213-N216 PolarHBondContact O-N 2.78Å; A214-N216 VanDerWaalsContact C-N 3.34Å; A214-N216 PolarHBondContact O-N 3.38Å; N216-K220 WeakPolarHBondContact O-CG 3.45Å; N216-K220 PolarHBondContact O-N 3.44Å; N216-L261 PolarHBondContact ND2-O 3.37Å; N216-L262 VanDerWaalsContact OD1-CA 3.28Å; N216-L262 WeakPolarHBondContact OD1-CA 3.36Å; N216-S263 PolarHBondContact OD1-N 3.08Å; N216-A266 WeakPolarHBondContact OD1-CB 2.88Å
217Q93.8Very high90.8Very high17 Ų1737.9 Ų37.98%0.07918%0.183CC..Hα-helixtrans-70.4-41.2178.4-71.6-62.60.300112.3D145 I148 L149 I152 H213 A214 F215 A219 K220 L221D145-Q217 VanDerWaalsContact CG-OE1 3.25Å; D145-Q217 PolarHBondContact OD1-NE2 2.94Å; D145-Q217 PolarHBondContact OD1-OE1 2.99Å; I148-Q217 HydrophobicContact CG2-CG 4.11Å; L149-Q217 HydrophobicContact CB-CB 4.25Å; L149-Q217 HydrophobicContact CD1-CB 4.21Å; I152-Q217 HydrophobicContact CD1-CG 4.4Å; H213-Q217 WeakPolarHBondContact O-CG 3.4Å; H213-Q217 PolarHBondContact O-N 3Å; A214-Q217 PolarHBondContact O-N 3.37Å; A214-Q217 VanDerWaalsContact O-N 3.14Å; F215-Q217 VanDerWaalsContact C-N 3.33Å; F215-Q217 PolarHBondContact O-N 3.23Å; Q217-A219 VanDerWaalsContact C-N 3.29Å; Q217-A219 PolarHBondContact O-N 2.81Å; Q217-K220 PolarHBondContact O-N 3.4Å; Q217-L221 WeakPolarHBondContact O-CB 3.27Å; Q217-L221 WeakPolarHBondContact O-CG 3.44Å; Q217-L221 PolarHBondContact O-N 3.4Å
218L94.1Very high90.4Very high0 Ų038.4 Ų38.40%019%0.186CC..Hα-helixtrans-59.9-39.3176.8-72.3171.8000112.4L149 A214 F215 K220 L221 K222 I225 A230 L233 V234 L237 F269L149-L218 HydrophobicContact CD1-CD2 4.13Å; L149-L218 HydrophobicContact CD1-CG 4.07Å; L149-L218 HydrophobicContact CD2-CD2 3.63Å; L149-L218 HydrophobicContact CD2-CG 4.34Å; A214-L218 WeakPolarHBondContact O-CB 3.41Å; A214-L218 VanDerWaalsContact O-CG 3.26Å; A214-L218 WeakPolarHBondContact O-CG 3.1Å; A214-L218 PolarHBondContact O-N 3.2Å; F215-L218 HydrophobicContact CD1-CD1 4.35Å; F215-L218 PolarHBondContact O-N 3.41Å; L218-K220 VanDerWaalsContact C-N 3.35Å; L218-K220 PolarHBondContact O-N 2.85Å; L218-L221 PolarHBondContact O-N 3.43Å; L218-K222 WeakPolarHBondContact O-CA 3.24Å; L218-K222 WeakPolarHBondContact O-CB 3.43Å; L218-K222 PolarHBondContact O-N 2.83Å; L218-I225 HydrophobicContact CD2-CD1 3.8Å; L218-A230 HydrophobicContact CD2-CB 4.31Å; L218-L233 HydrophobicContact CD1-CB 4.07Å; L218-L233 HydrophobicContact CD2-CB 3.65Å; L218-L233 HydrophobicContact CD2-CD1 3.57Å; L218-L233 HydrophobicContact CD2-CG 4.26Å; L218-V234 HydrophobicContact CD1-CG2 3.93Å; L218-L237 HydrophobicContact CD1-CD1 3.54Å; L218-F269 HydrophobicContact CB-CE1 4.13Å
219A93.1Very high90Very high4 Ų439.9 Ų39.93%0.03320%0.197CC..Hα-helixtrans-66.8-34.817800000113.3F215 Q217 K222 D265 A266 F269F215-A219 PolarHBondContact O-N 3.13Å; F215-A219 VanDerWaalsContact O-N 3.1Å; Q217-A219 VanDerWaalsContact C-N 3.29Å; Q217-A219 PolarHBondContact O-N 2.81Å; A219-K222 WeakPolarHBondContact O-CD 3.45Å; A219-D265 HydrophobicContact CB-CB 4.47Å; A219-A266 VanDerWaalsContact CB-CA 3.45Å; A219-A266 HydrophobicContact CB-CB 3.78Å; A219-F269 HydrophobicContact CB-CB 4.14Å; A219-F269 HydrophobicContact CB-CD1 4.17Å; A219-F269 HydrophobicContact CB-CG 4.39Å
220K91.6Very high89.8Confident112 Ų11238.3 Ų38.349%0.48719%0.19SC..Hα-helixtrans-72-39.3174.2-67.9174.9178.5-174.30112.1N216 Q217 L218N216-K220 WeakPolarHBondContact O-CG 3.45Å; N216-K220 PolarHBondContact O-N 3.44Å; Q217-K220 PolarHBondContact O-N 3.4Å; L218-K220 VanDerWaalsContact C-N 3.35Å; L218-K220 PolarHBondContact O-N 2.85Å
221L89.6Confident89.7Confident2 Ų240.8 Ų40.81%0.0121%0.205CC..Hα-helixtrans-90.60.6-173.9-67.3174000113.7V142 D145 V146 L149 Q217 L218 D223 H224 I225V142-L221 HydrophobicContact CG1-CD2 3.75Å; D145-L221 HydrophobicContact CB-CD1 4.18Å; D145-L221 HydrophobicContact CB-CD2 3.89Å; D145-L221 HydrophobicContact CB-CG 4.22Å; V146-L221 HydrophobicContact CG2-CD1 3.92Å; V146-L221 HydrophobicContact CG2-CD2 3.84Å; V146-L221 HydrophobicContact CG2-CG 4.49Å; L149-L221 HydrophobicContact CB-CD1 4.17Å; L149-L221 HydrophobicContact CD2-CD1 3.89Å; Q217-L221 WeakPolarHBondContact O-CB 3.27Å; Q217-L221 WeakPolarHBondContact O-CG 3.44Å; Q217-L221 PolarHBondContact O-N 3.4Å; L218-L221 PolarHBondContact O-N 3.43Å; L221-D223 PolarHBondContact O-N 3.29Å; L221-D223 VanDerWaalsContact O-N 3.08Å; L221-H224 HydrophobicContact CD2-CB 4.45Å; L221-H224 WeakPolarHBondContact O-CA 3.43Å; L221-H224 WeakPolarHBondContact O-CB 3.34Å; L221-H224 PolarHBondContact O-N 3.41Å; L221-I225 HydrophobicContact CB-CD1 4.19Å; L221-I225 HydrophobicContact CB-CG2 3.98Å; L221-I225 WeakPolarHBondContact O-CG1 3.46Å; L221-I225 PolarHBondContact O-N 2.84Å; L221-I225 VanDerWaalsContact O-N 3.15Å
222K89Confident89.4Confident84 Ų8444 Ų4437%0.36522%0.222SC..THydrogen-bonded Turntrans-53.5-35.7-169.772.1-172.1-179.9-136.20114.9L218 A219 A230 F269L218-K222 WeakPolarHBondContact O-CA 3.24Å; L218-K222 WeakPolarHBondContact O-CB 3.43Å; L218-K222 PolarHBondContact O-N 2.83Å; A219-K222 WeakPolarHBondContact O-CD 3.45Å; K222-A230 HydrophobicContact CB-CB 3.95Å; K222-F269 HydrophobicContact CB-CE2 4.18Å; K222-F269 HydrophobicContact CB-CZ 4.35Å; K222-F269 HydrophobicContact CD-CD2 4.25Å
223D87.3Confident89.2Confident119 Ų11944.1 Ų44.164%0.63622%0.223SC*.THydrogen-bonded Turntrans-91.2-7.6-179.5-55.2-55.8000112.6L221L221-D223 PolarHBondContact O-N 3.29Å; L221-D223 VanDerWaalsContact O-N 3.08Å
224H82.6Confident89.2Confident69 Ų6942.5 Ų42.532%0.31922%0.216SC..THydrogen-bonded Turntrans-104.6-15.2-173.6-58102.8000113.5V142 L221 R397V142-H224 HydrophobicContact CG1-CB 3.81Å; L221-H224 HydrophobicContact CD2-CB 4.45Å; L221-H224 WeakPolarHBondContact O-CA 3.43Å; L221-H224 WeakPolarHBondContact O-CB 3.34Å; L221-H224 PolarHBondContact O-N 3.41Å; H224-R397 PolarHBondContact CD2-NH2 3.09Å; H224-R397 PolarHBondContact O-NE 3.19Å
225I83.9Confident89.1Confident4 Ų445 Ų452%0.02123%0.227CC..  trans-122.3129.5-175.473.2-176.2000110.9V146 L149 L218 L221 A230 L233 V395V146-I225 HydrophobicContact CG2-CG2 4.17Å; L149-I225 HydrophobicContact CD2-CD1 4.18Å; L218-I225 HydrophobicContact CD2-CD1 3.8Å; L221-I225 HydrophobicContact CB-CD1 4.19Å; L221-I225 HydrophobicContact CB-CG2 3.98Å; L221-I225 WeakPolarHBondContact O-CG1 3.46Å; L221-I225 PolarHBondContact O-N 2.84Å; L221-I225 VanDerWaalsContact O-N 3.15Å; I225-A230 HydrophobicContact CD1-CB 3.72Å; I225-A230 HydrophobicContact CG1-CB 3.84Å; I225-L233 HydrophobicContact CD1-CD1 3.76Å; I225-V395 HydrophobicContact CB-CG1 3.68Å; I225-V395 HydrophobicContact CB-CG2 4.32Å; I225-V395 HydrophobicContact CD1-CG2 4.34Å; I225-V395 HydrophobicContact CG2-CG1 3.39Å; I225-V395 HydrophobicContact CG2-CG2 4.44Å
226Q75.1Confident88.9Confident164 Ų16448 Ų4877%0.76624%0.24SC*.BIsolated β-bridgetrans-131.9-15.3-170-63.1-173.68.600115P228Q226-P228 CarbonylContact C-O 3.57Å
227N73.2Confident88.8Confident125 Ų12547 Ų4767%0.66824%0.235SC*.THydrogen-bonded Turntrans-146.794.3-178.5-174.735.6000111.7
228P85Confident88.9Confident12 Ų1246.2 Ų46.28%0.07823%0.231CC..THydrogen-bonded Turncis-66.3155.2-8.628.4-35.2000112.6Q226 D232 L233 F236 R393Q226-P228 CarbonylContact C-O 3.57Å; P228-D232 HydrophobicContact CB-CB 4.04Å; P228-L233 HydrophobicContact CB-CD2 4.41Å; P228-L233 HydrophobicContact CB-CG 4.23Å; P228-L233 HydrophobicContact CG-CD1 4.21Å; P228-L233 HydrophobicContact CG-CD2 3.6Å; P228-L233 HydrophobicContact CG-CG 3.77Å; P228-F236 HydrophobicContact CB-CE2 4.07Å; P228-R393 VanDerWaalsContact CD-O 3.25Å; P228-R393 WeakPolarHBondContact CD-O 3.37Å
229S88.8Confident88.8Confident31 Ų3147.4 Ų47.422%0.21724%0.238CC..BIsolated β-bridgetrans-70.3162.5175.374.50000111.2V231 D232 L233S229-V231 PolarHBondContact O-N 3.32Å; S229-D232 WeakPolarHBondContact CB-OD2 3.34Å; S229-D232 PolarHBondContact N-OD2 3.09Å; S229-D232 VanDerWaalsContact N-OD2 3.08Å; S229-D232 PolarHBondContact O-N 2.71Å; S229-D232 PolarHBondContact OG-N 3.15Å; S229-D232 PolarHBondContact OG-OD2 3.43Å; S229-L233 WeakPolarHBondContact O-CG 3.27Å; S229-L233 PolarHBondContact O-N 3.25Å
230A90.8Very high88.8Confident2 Ų247.2 Ų47.22%0.01724%0.237CC..Hα-helixtrans-59.6-33.617600000112.9L218 K222 I225 L233 V234 F269L218-A230 HydrophobicContact CD2-CB 4.31Å; K222-A230 HydrophobicContact CB-CB 3.95Å; I225-A230 HydrophobicContact CD1-CB 3.72Å; I225-A230 HydrophobicContact CG1-CB 3.84Å; A230-L233 PolarHBondContact O-N 3.24Å; A230-V234 WeakPolarHBondContact O-CG2 3.47Å; A230-V234 PolarHBondContact O-N 3.25Å; A230-F269 HydrophobicContact CB-CE1 4.25Å; A230-F269 HydrophobicContact CB-CZ 3.71Å
231V91.8Very high89Confident57 Ų5741.9 Ų41.935%0.34521%0.214SC..Hα-helixtrans-66.7-45.7176.5175.60000110.4S229 L233 V234 H235 F269 A273S229-V231 PolarHBondContact O-N 3.32Å; V231-L233 VanDerWaalsContact C-N 3.3Å; V231-L233 PolarHBondContact O-N 2.94Å; V231-V234 WeakPolarHBondContact O-CB 3.32Å; V231-V234 PolarHBondContact O-N 3.48Å; V231-V234 VanDerWaalsContact O-N 3.17Å; V231-H235 PolarHBondContact O-CD2 3.29Å; V231-H235 PolarHBondContact O-N 3.44Å; V231-F269 HydrophobicContact CG2-CE2 3.98Å; V231-F269 HydrophobicContact CG2-CZ 4.06Å; V231-A273 HydrophobicContact CG1-CB 4.19Å; V231-A273 HydrophobicContact CG2-CB 4.25Å
232D89.7Confident89.2Confident67 Ų6745.3 Ų45.336%0.35823%0.227SC..Hα-helixtrans-59.6-43.8176.3-59.4-45.9000111P228 S229 V234 H235 F236P228-D232 HydrophobicContact CB-CB 4.04Å; S229-D232 WeakPolarHBondContact CB-OD2 3.34Å; S229-D232 PolarHBondContact N-OD2 3.09Å; S229-D232 VanDerWaalsContact N-OD2 3.08Å; S229-D232 PolarHBondContact O-N 2.71Å; S229-D232 PolarHBondContact OG-N 3.15Å; S229-D232 PolarHBondContact OG-OD2 3.43Å; D232-V234 VanDerWaalsContact C-N 3.32Å; D232-V234 PolarHBondContact O-N 3.47Å; D232-H235 PolarHBondContact O-N 3.04Å; D232-F236 HydrophobicContact CB-CD2 4.31Å; D232-F236 HydrophobicContact CB-CE2 3.75Å; D232-F236 HydrophobicContact CB-CZ 4.16Å; D232-F236 WeakPolarHBondContact O-CB 3.36Å; D232-F236 WeakPolarHBondContact O-CD2 3.39Å; D232-F236 WeakPolarHBondContact O-CG 3.11Å; D232-F236 PolarHBondContact O-N 3.4Å
233L91.8Very high89.3Confident3 Ų341.6 Ų41.62%0.01621%0.21CC..Hα-helixtrans-62.3-36.2177.5-73.4170.7000112.8L149 L153 L218 I225 P228 S229 A230 V231 F236 L237 V395L149-L233 HydrophobicContact CD2-CD1 4.42Å; L153-L233 HydrophobicContact CD1-CD2 4.16Å; L218-L233 HydrophobicContact CD1-CB 4.07Å; L218-L233 HydrophobicContact CD2-CB 3.65Å; L218-L233 HydrophobicContact CD2-CD1 3.57Å; L218-L233 HydrophobicContact CD2-CG 4.26Å; I225-L233 HydrophobicContact CD1-CD1 3.76Å; P228-L233 HydrophobicContact CB-CD2 4.41Å; P228-L233 HydrophobicContact CB-CG 4.23Å; P228-L233 HydrophobicContact CG-CD1 4.21Å; P228-L233 HydrophobicContact CG-CD2 3.6Å; P228-L233 HydrophobicContact CG-CG 3.77Å; S229-L233 WeakPolarHBondContact O-CG 3.27Å; S229-L233 PolarHBondContact O-N 3.25Å; A230-L233 PolarHBondContact O-N 3.24Å; V231-L233 VanDerWaalsContact C-N 3.3Å; V231-L233 PolarHBondContact O-N 2.94Å; L233-F236 HydrophobicContact CD2-CD2 4.35Å; L233-F236 PolarHBondContact O-N 2.88Å; L233-L237 WeakPolarHBondContact O-CB 3.31Å; L233-L237 VanDerWaalsContact O-CG 3.28Å; L233-L237 WeakPolarHBondContact O-CG 3.49Å; L233-L237 PolarHBondContact O-N 2.96Å; L233-V395 HydrophobicContact CD1-CG2 3.81Å
234V94.6Very high89.6Confident0 Ų035.9 Ų35.90%018%0.18CC..Hα-helixtrans-59.8-51172.8167.70000110.5F215 L218 A230 V231 D232 F236 L237 F238 F269 L270 A273F215-V234 HydrophobicContact CD1-CG2 4.45Å; L218-V234 HydrophobicContact CD1-CG2 3.93Å; A230-V234 WeakPolarHBondContact O-CG2 3.47Å; A230-V234 PolarHBondContact O-N 3.25Å; V231-V234 WeakPolarHBondContact O-CB 3.32Å; V231-V234 PolarHBondContact O-N 3.48Å; V231-V234 VanDerWaalsContact O-N 3.17Å; D232-V234 VanDerWaalsContact C-N 3.32Å; D232-V234 PolarHBondContact O-N 3.47Å; V234-F236 VanDerWaalsContact C-N 3.29Å; V234-F236 PolarHBondContact O-N 3.27Å; V234-L237 PolarHBondContact O-N 3.04Å; V234-L237 VanDerWaalsContact O-N 3.12Å; V234-F238 HydrophobicContact CG1-CD2 3.76Å; V234-F238 HydrophobicContact CG1-CE2 3.56Å; V234-F238 VanDerWaalsContact O-CD2 3.29Å; V234-F238 WeakPolarHBondContact O-CD2 3.44Å; V234-F238 PolarHBondContact O-N 2.87Å; V234-F238 VanDerWaalsContact O-N 3.1Å; V234-F269 HydrophobicContact CG2-CD1 4.19Å; V234-F269 HydrophobicContact CG2-CE1 3.46Å; V234-F269 VanDerWaalsContact CG2-CE1 3.46Å; V234-F269 HydrophobicContact CG2-CZ 4.15Å; V234-L270 HydrophobicContact CG1-CD2 3.82Å; V234-L270 HydrophobicContact CG2-CD2 4.26Å; V234-A273 HydrophobicContact CG1-CB 4.46Å
235H93.1Very high90.1Very high52 Ų5232.9 Ų32.924%0.24117%0.167CC..Hα-helixtrans-61.2-40.1178.3-65.2-54.7000112.1V231 D232 L237 F238 A273 E278V231-H235 PolarHBondContact O-CD2 3.29Å; V231-H235 PolarHBondContact O-N 3.44Å; D232-H235 PolarHBondContact O-N 3.04Å; H235-L237 VanDerWaalsContact C-N 3.32Å; H235-L237 PolarHBondContact O-N 3.38Å; H235-F238 PolarHBondContact O-N 3.08Å; H235-A273 PolarHBondContact CE1-O 3.31Å; H235-A273 PolarHBondContact NE2-O 3.33Å; H235-E278 IonicContact CE1-OE2 3.61Å; H235-E278 PolarHBondContact CE1-OE2 2.87Å; H235-E278 VanDerWaalsContact CE1-OE2 3.29Å; H235-E278 IonicContact CG-OE1 3.02Å; H235-E278 VanDerWaalsContact ND1-CD 3.35Å; H235-E278 IonicContact ND1-OE1 2.72Å; H235-E278 PolarHBondContact ND1-OE1 3.39Å; H235-E278 VanDerWaalsContact ND1-OE1 3.15Å; H235-E278 IonicContact ND1-OE2 3.56Å; H235-E278 PolarHBondContact ND1-OE2 3.42Å
236F92.3Very high90.5Very high63 Ų6337.9 Ų37.928%0.27619%0.19SC..Hα-helixtrans-62.5-38.2175.6-64.9-27.6000112P228 D232 L233 V234 P240 F387 A390P228-F236 HydrophobicContact CB-CE2 4.07Å; D232-F236 HydrophobicContact CB-CD2 4.31Å; D232-F236 HydrophobicContact CB-CE2 3.75Å; D232-F236 HydrophobicContact CB-CZ 4.16Å; D232-F236 WeakPolarHBondContact O-CB 3.36Å; D232-F236 WeakPolarHBondContact O-CD2 3.39Å; D232-F236 WeakPolarHBondContact O-CG 3.11Å; D232-F236 PolarHBondContact O-N 3.4Å; L233-F236 HydrophobicContact CD2-CD2 4.35Å; L233-F236 PolarHBondContact O-N 2.88Å; V234-F236 VanDerWaalsContact C-N 3.29Å; V234-F236 PolarHBondContact O-N 3.27Å; F236-P240 WeakPolarHBondContact O-CD 3.47Å; F236-F387 HydrophobicContact CB-CD2 3.91Å; F236-F387 HydrophobicContact CB-CE2 4.42Å; F236-F387 WeakPolarHBondContact O-CD2 3.46Å; F236-A390 HydrophobicContact CD1-CB 4.3Å; F236-A390 HydrophobicContact CD2-CB 3.43Å; F236-A390 VanDerWaalsContact CD2-CB 3.43Å; F236-A390 HydrophobicContact CE1-CB 4.23Å; F236-A390 HydrophobicContact CE2-CB 3.34Å; F236-A390 HydrophobicContact CG-CB 3.94Å; F236-A390 HydrophobicContact CZ-CB 3.78Å
237L94.6Very high91.1Very high0 Ų031.7 Ų31.70%017%0.167CC..Hα-helixtrans-73-30.1178.6-76.4170.2000114.1L153 V156 F211 A214 F215 L218 L233 V234 H235 T239 P240 L241 F387L153-L237 HydrophobicContact CD2-CD1 4.29Å; L153-L237 HydrophobicContact CD2-CD2 3.7Å; L153-L237 HydrophobicContact CD2-CG 4.24Å; V156-L237 HydrophobicContact CG1-CD2 4.49Å; F211-L237 HydrophobicContact CD1-CB 4.38Å; F211-L237 HydrophobicContact CD1-CD2 3.95Å; F211-L237 HydrophobicContact CE1-CB 4.3Å; F211-L237 HydrophobicContact CE1-CD2 3.74Å; F211-L237 WeakPolarHBondContact CE1-O 3.29Å; A214-L237 HydrophobicContact CB-CD1 3.83Å; F215-L237 HydrophobicContact CD1-CD1 4.22Å; F215-L237 HydrophobicContact CE1-CB 3.99Å; F215-L237 HydrophobicContact CE1-CD1 3.93Å; F215-L237 HydrophobicContact CZ-CB 4.26Å; L218-L237 HydrophobicContact CD1-CD1 3.54Å; L233-L237 WeakPolarHBondContact O-CB 3.31Å; L233-L237 VanDerWaalsContact O-CG 3.28Å; L233-L237 WeakPolarHBondContact O-CG 3.49Å; L233-L237 PolarHBondContact O-N 2.96Å; V234-L237 PolarHBondContact O-N 3.04Å; V234-L237 VanDerWaalsContact O-N 3.12Å; H235-L237 VanDerWaalsContact C-N 3.32Å; H235-L237 PolarHBondContact O-N 3.38Å; L237-T239 VanDerWaalsContact C-N 3.27Å; L237-T239 PolarHBondContact O-N 3.31Å; L237-P240 WeakPolarHBondContact O-CD 3.27Å; L237-L241 VanDerWaalsContact O-CB 3.3Å; L237-L241 WeakPolarHBondContact O-CB 3.45Å; L237-L241 PolarHBondContact O-N 3.47Å; L237-F387 HydrophobicContact CD2-CE2 4.19Å
238F95.1Very high91.9Very high1 Ų127.1 Ų27.10%0.00414%0.144CC..Hα-helixtrans-64.4-30.8-178.9-94.1-70.8000113.6F215 V234 H235 L241 R242 L270 E278 L281 W282F215-F238 HydrophobicContact CZ-CE2 4.45Å; V234-F238 HydrophobicContact CG1-CD2 3.76Å; V234-F238 HydrophobicContact CG1-CE2 3.56Å; V234-F238 VanDerWaalsContact O-CD2 3.29Å; V234-F238 WeakPolarHBondContact O-CD2 3.44Å; V234-F238 PolarHBondContact O-N 2.87Å; V234-F238 VanDerWaalsContact O-N 3.1Å; H235-F238 PolarHBondContact O-N 3.08Å; F238-L241 HydrophobicContact CD1-CD2 4.16Å; F238-L241 HydrophobicContact CE1-CD2 4.19Å; F238-R242 WeakPolarHBondContact O-CB 3.43Å; F238-R242 PolarHBondContact O-N 3.49Å; F238-L270 HydrophobicContact CE2-CD2 4.11Å; F238-L270 HydrophobicContact CZ-CD2 4.37Å; F238-E278 HydrophobicContact CB-CB 4.48Å; F238-E278 HydrophobicContact CB-CG 3.82Å; F238-E278 HydrophobicContact CD1-CB 3.87Å; F238-E278 HydrophobicContact CD1-CG 4.1Å; F238-E278 HydrophobicContact CD2-CB 3.81Å; F238-E278 HydrophobicContact CD2-CG 3.88Å; F238-E278 HydrophobicContact CE1-CB 3.98Å; F238-E278 VanDerWaalsContact CE1-O 3.31Å; F238-E278 WeakPolarHBondContact CE1-O 2.9Å; F238-E278 HydrophobicContact CE2-CB 3.93Å; F238-E278 HydrophobicContact CE2-CG 4.5Å; F238-E278 HydrophobicContact CG-CB 3.79Å; F238-E278 HydrophobicContact CG-CG 3.66Å; F238-E278 HydrophobicContact CZ-CB 4.02Å; F238-L281 HydrophobicContact CD1-CD2 4.24Å; F238-W282 HydrophobicContact CE1-CB 3.91Å; F238-W282 HydrophobicContact CZ-CB 4.02Å
239T91.4Very high91.9Very high24 Ų2430 Ų3015%0.14718%0.177CC..Hα-helixtrans-67.4-55177.7-70.20000112.4L237 L241 R242 M243 A383 V384L237-T239 VanDerWaalsContact C-N 3.27Å; L237-T239 PolarHBondContact O-N 3.31Å; T239-L241 VanDerWaalsContact C-N 3.35Å; T239-L241 PolarHBondContact O-N 3.41Å; T239-R242 PolarHBondContact O-N 2.94Å; T239-M243 PolarHBondContact O-N 3.01Å; T239-A383 HydrophobicContact CG2-CB 3.6Å; T239-V384 HydrophobicContact CG2-CG2 4.33Å
240P93.5Very high91.8Very high0 Ų029.9 Ų29.90%018%0.18CC..Hα-helixtrans-51.8-47.1167.5-32.339000113.9V156 V160 F211 F236 L237 R242 M243 V244 F387V156-P240 HydrophobicContact CG1-CB 4.42Å; V160-P240 HydrophobicContact CG2-CB 3.78Å; F211-P240 HydrophobicContact CE1-CB 3.98Å; F211-P240 HydrophobicContact CZ-CB 3.64Å; F236-P240 WeakPolarHBondContact O-CD 3.47Å; L237-P240 WeakPolarHBondContact O-CD 3.27Å; P240-R242 VanDerWaalsContact C-N 3.32Å; P240-R242 PolarHBondContact O-N 3.27Å; P240-M243 WeakPolarHBondContact O-CB 3.45Å; P240-M243 PolarHBondContact O-N 3.43Å; P240-M243 VanDerWaalsContact O-N 3.08Å; P240-V244 WeakPolarHBondContact O-CG2 3.41Å; P240-V244 PolarHBondContact O-N 2.91Å; P240-F387 HydrophobicContact CG-CB 4.44Å; P240-F387 HydrophobicContact CG-CD1 3.83Å; P240-F387 HydrophobicContact CG-CD2 3.59Å; P240-F387 HydrophobicContact CG-CE1 3.89Å; P240-F387 HydrophobicContact CG-CE2 3.67Å; P240-F387 HydrophobicContact CG-CG 3.68Å; P240-F387 HydrophobicContact CG-CZ 3.8Å
241L95.7Very high91.9Very high0 Ų031.4 Ų31.40%019%0.189CC..Hα-helixtrans-57.4-46.9-179.3178.260.6000111.1L208 F211 F215 L237 F238 T239 M243 V244 V245 L285 W289L208-L241 HydrophobicContact CD2-CD1 3.97Å; F211-L241 HydrophobicContact CB-CD1 4.32Å; F211-L241 HydrophobicContact CD1-CB 4.1Å; F211-L241 HydrophobicContact CD1-CD1 4.35Å; F211-L241 HydrophobicContact CD2-CD1 3.92Å; F211-L241 HydrophobicContact CE1-CB 3.89Å; F211-L241 HydrophobicContact CE2-CD1 4.31Å; F211-L241 HydrophobicContact CG-CD1 3.95Å; F211-L241 HydrophobicContact CZ-CB 4.13Å; F215-L241 HydrophobicContact CE2-CD2 4.12Å; F215-L241 HydrophobicContact CZ-CD2 4.2Å; L237-L241 VanDerWaalsContact O-CB 3.3Å; L237-L241 WeakPolarHBondContact O-CB 3.45Å; L237-L241 PolarHBondContact O-N 3.47Å; F238-L241 HydrophobicContact CD1-CD2 4.16Å; F238-L241 HydrophobicContact CE1-CD2 4.19Å; T239-L241 VanDerWaalsContact C-N 3.35Å; T239-L241 PolarHBondContact O-N 3.41Å; L241-M243 VanDerWaalsContact C-N 3.3Å; L241-M243 PolarHBondContact O-N 3.49Å; L241-V244 PolarHBondContact O-N 3.27Å; L241-V245 HydrophobicContact CD1-CG2 4.16Å; L241-V245 VanDerWaalsContact O-CG2 3.29Å; L241-V245 WeakPolarHBondContact O-CG2 3.46Å; L241-V245 PolarHBondContact O-N 3.22Å; L241-L285 HydrophobicContact CD2-CD1 4.21Å; L241-W289 HydrophobicContact CD1-CH2 4.08Å; L241-W289 HydrophobicContact CD1-CZ3 4.4Å; L241-W289 HydrophobicContact CD2-CZ3 4.46Å
242R93.6Very high91.8Very high75 Ų7535.1 Ų35.128%0.28320%0.203SC..Hα-helixtrans-57.3-43.8176.2-168.4-176-58.6115.12.6111.8F238 T239 P240 Q246 L281F238-R242 WeakPolarHBondContact O-CB 3.43Å; F238-R242 PolarHBondContact O-N 3.49Å; T239-R242 PolarHBondContact O-N 2.94Å; P240-R242 VanDerWaalsContact C-N 3.32Å; P240-R242 PolarHBondContact O-N 3.27Å; R242-Q246 WeakPolarHBondContact O-CB 3.46Å; R242-Q246 VanDerWaalsContact O-CG 3.24Å; R242-Q246 WeakPolarHBondContact O-CG 3.26Å; R242-Q246 PolarHBondContact O-N 2.91Å; R242-L281 HydrophobicContact CB-CD2 3.68Å; R242-L281 HydrophobicContact CG-CD2 3.96Å
243M91.3Very high91.9Very high5 Ų533 Ų333%0.02519%0.191CC..Hα-helixtrans-64.4-43178.9-168.8-172.162.900111.9V160 L163 T239 P240 L241 Q246 A247 V384V160-M243 HydrophobicContact CB-CE 3.88Å; V160-M243 HydrophobicContact CG1-CE 3.48Å; V160-M243 VanDerWaalsContact CG1-CE 3.48Å; V160-M243 HydrophobicContact CG2-CE 3.86Å; L163-M243 HydrophobicContact CD2-CE 3.95Å; T239-M243 PolarHBondContact O-N 3.01Å; P240-M243 WeakPolarHBondContact O-CB 3.45Å; P240-M243 PolarHBondContact O-N 3.43Å; P240-M243 VanDerWaalsContact O-N 3.08Å; L241-M243 VanDerWaalsContact C-N 3.3Å; L241-M243 PolarHBondContact O-N 3.49Å; M243-Q246 PolarHBondContact O-N 2.9Å; M243-A247 WeakPolarHBondContact O-CB 3.2Å; M243-A247 PolarHBondContact O-N 3.02Å; M243-V384 HydrophobicContact SD-CG2 4.45Å
244V93.9Very high92Very high0 Ų032.9 Ų32.90%019%0.191CC..Hα-helixtrans-63.8-46.3178.2174.80000110.8F159 V160 L163 F204 L208 F211 P240 L241 Q246 A247 S248F159-V244 HydrophobicContact CD1-CG2 4.06Å; F159-V244 HydrophobicContact CE1-CG1 4.09Å; F159-V244 HydrophobicContact CE1-CG2 3.87Å; V160-V244 HydrophobicContact CG2-CG2 4.39Å; L163-V244 HydrophobicContact CD2-CG2 4.34Å; F204-V244 HydrophobicContact CD1-CG1 3.79Å; F204-V244 HydrophobicContact CE1-CG1 4.23Å; L208-V244 HydrophobicContact CD2-CG1 4.26Å; L208-V244 HydrophobicContact CG-CG1 4.32Å; F211-V244 HydrophobicContact CE2-CG2 4.13Å; P240-V244 WeakPolarHBondContact O-CG2 3.41Å; P240-V244 PolarHBondContact O-N 2.91Å; L241-V244 PolarHBondContact O-N 3.27Å; V244-Q246 PolarHBondContact O-N 3.31Å; V244-A247 PolarHBondContact O-N 3.01Å; V244-S248 PolarHBondContact O-N 2.94Å; V244-S248 PolarHBondContact O-OG 2.74Å
245V93.6Very high91.9Very high6 Ų638.3 Ų38.34%0.03621%0.211CC..Hα-helixtrans-62.5-39.9177.7172.10000112.1L208 L241 S248 G250 T251 A254 L285L208-V245 HydrophobicContact CD2-CG2 4.36Å; L241-V245 HydrophobicContact CD1-CG2 4.16Å; L241-V245 VanDerWaalsContact O-CG2 3.29Å; L241-V245 WeakPolarHBondContact O-CG2 3.46Å; L241-V245 PolarHBondContact O-N 3.22Å; V245-S248 WeakPolarHBondContact CA-OG 3.45Å; V245-S248 PolarHBondContact O-OG 2.87Å; V245-G250 CarbonylContact O-C 3.51Å; V245-G250 WeakPolarHBondContact O-CA 3.2Å; V245-G250 PolarHBondContact O-N 3.23Å; V245-G250 VanDerWaalsContact O-N 3.08Å; V245-G250 VanDerWaalsContact O-O 3.08Å; V245-T251 HydrophobicContact CG1-CG2 3.84Å; V245-A254 HydrophobicContact CG2-CB 4.19Å; V245-L285 HydrophobicContact CG1-CD2 4.18Å; V245-L285 HydrophobicContact CG2-CD2 3.81Å
246Q91.3Very high91.9Very high108 Ų10839.5 Ų39.551%0.50523%0.225SC..Hα-helixtrans-67.3-41.3176.1-74.2172.2-10.100111.5R242 M243 V244 S248 G249R242-Q246 WeakPolarHBondContact O-CB 3.46Å; R242-Q246 VanDerWaalsContact O-CG 3.24Å; R242-Q246 WeakPolarHBondContact O-CG 3.26Å; R242-Q246 PolarHBondContact O-N 2.91Å; M243-Q246 PolarHBondContact O-N 2.9Å; V244-Q246 PolarHBondContact O-N 3.31Å; Q246-S248 VanDerWaalsContact C-N 3.34Å; Q246-S248 PolarHBondContact O-N 2.83Å; Q246-G249 PolarHBondContact O-N 2.74Å
247A88.6Confident91.9Very high34 Ų3436.8 Ų36.828%0.28121%0.214SC..Hα-helixtrans-71.5-26.3-179.600000113.8L163 F204 M243 V244 G249L163-A247 HydrophobicContact CD1-CB 3.85Å; L163-A247 HydrophobicContact CD2-CB 3.66Å; L163-A247 HydrophobicContact CG-CB 4.21Å; F204-A247 HydrophobicContact CE1-CB 3.98Å; F204-A247 HydrophobicContact CZ-CB 4.13Å; M243-A247 WeakPolarHBondContact O-CB 3.2Å; M243-A247 PolarHBondContact O-N 3.02Å; V244-A247 PolarHBondContact O-N 3.01Å; A247-G249 PolarHBondContact O-N 3.43Å
248S89.6Confident91.6Very high29 Ų2939.2 Ų39.220%0.20323%0.227CC..THydrogen-bonded Turntrans-74.91.5173.2570000114.1V244 V245 Q246 G250V244-S248 PolarHBondContact O-N 2.94Å; V244-S248 PolarHBondContact O-OG 2.74Å; V245-S248 WeakPolarHBondContact CA-OG 3.45Å; V245-S248 PolarHBondContact O-OG 2.87Å; Q246-S248 VanDerWaalsContact C-N 3.34Å; Q246-S248 PolarHBondContact O-N 2.83Å; S248-G250 PolarHBondContact OG-O 3.26Å
249G84.6Confident91.2Very high74 Ų7440.2 Ų40.276%0.76323%0.233SC*.THydrogen-bonded Turntrans87.519.3-178.800000114.2Q246 A247Q246-G249 PolarHBondContact O-N 2.74Å; A247-G249 PolarHBondContact O-N 3.43Å
250G87.6Confident91.2Very high27 Ų2739.7 Ų39.728%0.27823%0.23SC..SBendtrans117.2-165.8177.400000113.2V245 S248 E252V245-G250 CarbonylContact O-C 3.51Å; V245-G250 WeakPolarHBondContact O-CA 3.2Å; V245-G250 PolarHBondContact O-N 3.23Å; V245-G250 VanDerWaalsContact O-N 3.08Å; V245-G250 VanDerWaalsContact O-O 3.08Å; S248-G250 PolarHBondContact OG-O 3.26Å; G250-E252 VanDerWaalsContact C-N 3.34Å; G250-E252 PolarHBondContact O-N 3.48Å
251T91.5Very high91Very high34 Ų3441.1 Ų41.121%0.20924%0.237CC..Hα-helixtrans-79-13.1-173.249.90000114.4V245 L253 A254 R255 T284 L285V245-T251 HydrophobicContact CG1-CG2 3.84Å; T251-L253 PolarHBondContact O-N 2.93Å; T251-A254 PolarHBondContact O-N 3.44Å; T251-A254 VanDerWaalsContact O-N 3.15Å; T251-R255 WeakPolarHBondContact O-CB 3.47Å; T251-R255 WeakPolarHBondContact O-CG 3.5Å; T251-R255 PolarHBondContact O-N 3Å; T251-T284 HydrophobicContact CG2-CG2 3.99Å; T251-L285 HydrophobicContact CG2-CD2 4Å
252E91.2Very high90.9Very high136 Ų13641.2 Ų41.264%0.63624%0.238SC*.Hα-helixtrans-60.4-44.9-173.9-64.1-54.5101.700112.9G250 R255 S256G250-E252 VanDerWaalsContact C-N 3.34Å; G250-E252 PolarHBondContact O-N 3.48Å; E252-R255 PolarHBondContact O-N 3.14Å; E252-R255 WeakPolarHBondContact OE1-CD 3.3Å; E252-S256 PolarHBondContact O-N 2.82Å
253L92Very high90.8Very high22 Ų2239.5 Ų39.512%0.11524%0.237CC..Hα-helixtrans-65.2-41.9175.8-175.763.5000111.2E201 F204 V205 L208 T251 R255 S256E201-L253 HydrophobicContact CG-CD1 3.78Å; E201-L253 HydrophobicContact CG-CD2 4.12Å; E201-L253 WeakPolarHBondContact OE1-CD1 3.09Å; F204-L253 HydrophobicContact CB-CD2 3.6Å; F204-L253 HydrophobicContact CG-CD2 4.25Å; V205-L253 HydrophobicContact CG2-CD1 3.99Å; L208-L253 HydrophobicContact CD1-CG 4.41Å; T251-L253 PolarHBondContact O-N 2.93Å; L253-R255 VanDerWaalsContact C-N 3.29Å; L253-R255 PolarHBondContact O-N 3.49Å; L253-S256 PolarHBondContact O-N 3.23Å; L253-S256 PolarHBondContact O-OG 2.82Å
254A92.7Very high90.9Very high0 Ų046.4 Ų46.40%026%0.263CS..Hα-helixtrans-64-35.9177.900000112.7L208 V245 T251 S256 V257 L285 W289L208-A254 HydrophobicContact CD1-CB 4.17Å; L208-A254 HydrophobicContact CD2-CB 4.1Å; V245-A254 HydrophobicContact CG2-CB 4.19Å; T251-A254 PolarHBondContact O-N 3.44Å; T251-A254 VanDerWaalsContact O-N 3.15Å; A254-S256 VanDerWaalsContact C-N 3.29Å; A254-S256 PolarHBondContact O-N 3.3Å; A254-V257 PolarHBondContact O-N 2.86Å; A254-L285 HydrophobicContact CB-CD2 3.65Å; A254-W289 PolarHBondContact O-NE1 3.46Å
255R93.5Very high90.8Very high114 Ų11450.7 Ų50.743%0.4329%0.286SS..Hα-helixtrans-64.8-30.3176.6-72.6168.278.184.75.3112.8T251 E252 L253 V257 T284 L285T251-R255 WeakPolarHBondContact O-CB 3.47Å; T251-R255 WeakPolarHBondContact O-CG 3.5Å; T251-R255 PolarHBondContact O-N 3Å; E252-R255 PolarHBondContact O-N 3.14Å; E252-R255 WeakPolarHBondContact OE1-CD 3.3Å; L253-R255 VanDerWaalsContact C-N 3.29Å; L253-R255 PolarHBondContact O-N 3.49Å; R255-V257 VanDerWaalsContact C-N 3.31Å; R255-T284 PolarHBondContact NH1-O 3.42Å; R255-L285 WeakPolarHBondContact CA-O 3.28Å; R255-L285 WeakPolarHBondContact CG-O 3.47Å
256S92.8Very high90.8Very high77 Ų7750.4 Ų50.454%0.53828%0.284SS..Hα-helixtrans-76.1-17.5177.874.10000113.3E252 L253 A254 L258E252-S256 PolarHBondContact O-N 2.82Å; L253-S256 PolarHBondContact O-N 3.23Å; L253-S256 PolarHBondContact O-OG 2.82Å; A254-S256 VanDerWaalsContact C-N 3.29Å; A254-S256 PolarHBondContact O-N 3.3Å; S256-L258 PolarHBondContact O-N 3.1Å; S256-L258 VanDerWaalsContact O-N 3.09Å
257V92.2Very high91Very high6 Ų646 Ų464%0.03626%0.264CS..  trans-81.588.2179.8-175.20000111.3V205 L208 Q209 K212 A254 R255V205-V257 HydrophobicContact CB-CG2 4.39Å; V205-V257 HydrophobicContact CG1-CG2 4.05Å; V205-V257 HydrophobicContact CG2-CG2 4.14Å; L208-V257 HydrophobicContact CB-CB 4.49Å; L208-V257 HydrophobicContact CB-CG1 4.31Å; L208-V257 HydrophobicContact CB-CG2 4.14Å; L208-V257 HydrophobicContact CD1-CG2 4Å; Q209-V257 HydrophobicContact CG-CG1 3.49Å; Q209-V257 VanDerWaalsContact CG-CG1 3.49Å; K212-V257 HydrophobicContact CD-CG1 4.26Å; K212-V257 PolarHBondContact NZ-O 3.27Å; A254-V257 PolarHBondContact O-N 2.86Å; R255-V257 VanDerWaalsContact C-N 3.31Å
258L88.2Confident91.3Very high52 Ų5248.9 Ų48.927%0.27227%0.272SS..  trans-82.4-38-179-61.9-177.7000114.1K212 S256 P260 W296 F302K212-L258 PolarHBondContact NZ-O 3.21Å; S256-L258 PolarHBondContact O-N 3.1Å; S256-L258 VanDerWaalsContact O-N 3.09Å; L258-P260 CarbonylContact O-C 3.53Å; L258-P260 VanDerWaalsContact O-O 3.14Å; L258-W296 HydrophobicContact CD2-CH2 4.26Å; L258-W296 HydrophobicContact CD2-CZ2 4.42Å; L258-F302 HydrophobicContact CB-CE1 4.29Å; L258-F302 HydrophobicContact CD1-CE1 4.4Å
259V86.8Confident91.5Very high21 Ų2148.7 Ų48.713%0.12727%0.267CS..  trans-106137.2-174.8-177.20000110.4Q209 F302 P303 V305Q209-V259 VanDerWaalsContact CG-O 3.26Å; Q209-V259 WeakPolarHBondContact CG-O 3.49Å; Q209-V259 PolarHBondContact NE2-O 3.4Å; V259-F302 HydrophobicContact CG2-CB 4.15Å; V259-F302 HydrophobicContact CG2-CD1 4.01Å; V259-P303 WeakPolarHBondContact CG1-O 3.44Å; V259-P303 HydrophobicContact CG2-CG 4.32Å; V259-V305 HydrophobicContact CB-CG2 3.95Å; V259-V305 HydrophobicContact CG1-CB 3.78Å; V259-V305 HydrophobicContact CG1-CG2 3.53Å
260P90.9Very high92.1Very high13 Ų1345.2 Ų45.28%0.08423%0.231CC..SBendcis-71.1151.4-1.635.4-41.7000111.6K212 H213 L258K212-P260 HydrophobicContact CB-CG 3.65Å; K212-P260 WeakPolarHBondContact CD-O 3.13Å; K212-P260 WeakPolarHBondContact CE-O 3.1Å; K212-P260 PolarHBondContact NZ-O 2.88Å; H213-P260 VanDerWaalsContact CD2-CG 3.44Å; H213-P260 WeakPolarHBondContact CD2-CG 2.92Å; H213-P260 WeakPolarHBondContact NE2-CG 3.25Å; L258-P260 CarbonylContact O-C 3.53Å; L258-P260 VanDerWaalsContact O-O 3.14Å
261L90Very high92.4Very high30 Ų3048.3 Ų48.316%0.15724%0.238CC..PPolyproline II helixtrans-72.4148.5168.5-68.8173.7000109.6N216 R293 F302N216-L261 PolarHBondContact ND2-O 3.37Å; L261-R293 HydrophobicContact CD1-CB 4.05Å; L261-F302 HydrophobicContact CD1-CD1 4.12Å; L261-F302 HydrophobicContact CD1-CD2 3.79Å; L261-F302 HydrophobicContact CD1-CE1 4.09Å; L261-F302 HydrophobicContact CD1-CE2 3.73Å; L261-F302 HydrophobicContact CD1-CG 3.96Å; L261-F302 HydrophobicContact CD1-CZ 3.87Å; L261-F302 HydrophobicContact CD2-CD1 4.22Å; L261-F302 HydrophobicContact CD2-CE1 3.77Å; L261-F302 HydrophobicContact CD2-CZ 4Å; L261-F302 HydrophobicContact CG-CD1 4.19Å; L261-F302 HydrophobicContact CG-CE1 4.19Å; L261-F302 HydrophobicContact CG-CG 4.43Å; L261-F302 HydrophobicContact CG-CZ 4.4Å
262L92.7Very high92.6Very high2 Ų250.9 Ų50.91%0.0126%0.263CS..PPolyproline II helixtrans-73.8139169.5-63.3-167.7000110.1K212 F215 N216 A266 I267 L270 W289K212-L262 HydrophobicContact CB-CD2 3.88Å; K212-L262 HydrophobicContact CG-CD2 4.37Å; K212-L262 WeakPolarHBondContact O-CD2 3.44Å; F215-L262 HydrophobicContact CB-CD2 4.27Å; N216-L262 VanDerWaalsContact OD1-CA 3.28Å; N216-L262 WeakPolarHBondContact OD1-CA 3.36Å; L262-A266 HydrophobicContact CB-CB 4.47Å; L262-I267 HydrophobicContact CB-CD1 4.04Å; L262-I267 HydrophobicContact CB-CG1 3.82Å; L262-I267 HydrophobicContact CD1-CG1 4.35Å; L262-L270 HydrophobicContact CD1-CD1 3.74Å; L262-W289 WeakPolarHBondContact CD1-O 3.45Å
263S92.1Very high92.6Very high40 Ų4045.1 Ų45.128%0.2824%0.238SC..PPolyproline II helixtrans-68.9158.6171.871.40000110.1N216 D265 A266 I267N216-S263 PolarHBondContact OD1-N 3.08Å; S263-D265 VanDerWaalsContact C-N 3.26Å; S263-D265 PolarHBondContact O-N 3.32Å; S263-A266 PolarHBondContact O-N 3.12Å; S263-A266 VanDerWaalsContact O-N 3.14Å; S263-A266 WeakPolarHBondContact OG-CB 3.43Å; S263-A266 PolarHBondContact OG-N 3.43Å; S263-A266 VanDerWaalsContact OG-N 3.09Å; S263-I267 PolarHBondContact O-N 2.91Å
264R92.5Very high92.6Very high150 Ų15044.5 Ų44.557%0.56624%0.237SC*.Hα-helixtrans-56.1-45.5174.2-180-179.9168.3-157.7-10110.9A266 I267 E268 C292R264-A266 VanDerWaalsContact C-N 3.27Å; R264-A266 PolarHBondContact O-N 3.38Å; R264-I267 PolarHBondContact O-N 3.38Å; R264-E268 HydrophobicContact CG-CG 4.49Å; R264-E268 IonicContact CZ-OE1 2.8Å; R264-E268 VanDerWaalsContact CZ-OE1 3.27Å; R264-E268 IonicContact NE-OE1 3.51Å; R264-E268 PolarHBondContact NE-OE1 3.12Å; R264-E268 IonicContact NH2-OE1 3.64Å; R264-E268 PolarHBondContact NH2-OE1 3.03Å; R264-E268 WeakPolarHBondContact O-CG 3.29Å; R264-E268 PolarHBondContact O-N 3.1Å; R264-C292 HydrophobicContact CB-CB 4.33Å
265D91.8Very high92.7Very high89 Ų8947.2 Ų47.248%0.47625%0.254SS..Hα-helixtrans-61.3-36.4178.7-57.5-21.6000112A219 S263 F269A219-D265 HydrophobicContact CB-CB 4.47Å; S263-D265 VanDerWaalsContact C-N 3.26Å; S263-D265 PolarHBondContact O-N 3.32Å; D265-F269 WeakPolarHBondContact O-CB 3.29Å; D265-F269 PolarHBondContact O-N 3.23Å
266A94.4Very high92.7Very high0 Ų044.6 Ų44.60%026%0.257CS..Hα-helixtrans-69.4-40.1176.700000112.7N216 A219 L262 S263 R264 F269 L270N216-A266 WeakPolarHBondContact OD1-CB 2.88Å; A219-A266 VanDerWaalsContact CB-CA 3.45Å; A219-A266 HydrophobicContact CB-CB 3.78Å; L262-A266 HydrophobicContact CB-CB 4.47Å; S263-A266 PolarHBondContact O-N 3.12Å; S263-A266 VanDerWaalsContact O-N 3.14Å; S263-A266 WeakPolarHBondContact OG-CB 3.43Å; S263-A266 PolarHBondContact OG-N 3.43Å; S263-A266 VanDerWaalsContact OG-N 3.09Å; R264-A266 VanDerWaalsContact C-N 3.27Å; R264-A266 PolarHBondContact O-N 3.38Å; A266-F269 PolarHBondContact O-N 3.46Å; A266-L270 WeakPolarHBondContact O-CB 3.3Å; A266-L270 VanDerWaalsContact O-CG 3.24Å; A266-L270 WeakPolarHBondContact O-CG 3.37Å; A266-L270 PolarHBondContact O-N 2.98Å
267I94.8Very high92.7Very high15 Ų1547 Ų478%0.07726%0.26CS..Hα-helixtrans-64.1-48.1175.6-71.5158.6000110.3L262 S263 R264 F269 L270 H271 W282 T290 C292L262-I267 HydrophobicContact CB-CD1 4.04Å; L262-I267 HydrophobicContact CB-CG1 3.82Å; L262-I267 HydrophobicContact CD1-CG1 4.35Å; S263-I267 PolarHBondContact O-N 2.91Å; R264-I267 PolarHBondContact O-N 3.38Å; I267-F269 VanDerWaalsContact C-N 3.32Å; I267-F269 PolarHBondContact O-N 3.37Å; I267-L270 PolarHBondContact O-N 3.39Å; I267-H271 PolarHBondContact O-CD2 3.28Å; I267-H271 PolarHBondContact O-N 3.46Å; I267-W282 HydrophobicContact CB-CZ2 4.44Å; I267-W282 HydrophobicContact CG1-CZ2 4.21Å; I267-W282 HydrophobicContact CG2-CH2 3.95Å; I267-W282 HydrophobicContact CG2-CZ2 4.19Å; I267-T290 WeakPolarHBondContact CD1-O 3.44Å; I267-C292 HydrophobicContact CD1-CB 3.72Å; I267-C292 VanDerWaalsContact CD1-N 3.33Å
268E94.9Very high92.8Very high96 Ų9647.4 Ų47.445%0.44926%0.261SS..Hα-helixtrans-61-42176.4-70.7-178.9-174.100111.2R264 H271 A272R264-E268 HydrophobicContact CG-CG 4.49Å; R264-E268 IonicContact CZ-OE1 2.8Å; R264-E268 VanDerWaalsContact CZ-OE1 3.27Å; R264-E268 IonicContact NE-OE1 3.51Å; R264-E268 PolarHBondContact NE-OE1 3.12Å; R264-E268 IonicContact NH2-OE1 3.64Å; R264-E268 PolarHBondContact NH2-OE1 3.03Å; R264-E268 WeakPolarHBondContact O-CG 3.29Å; R264-E268 PolarHBondContact O-N 3.1Å; E268-H271 PolarHBondContact O-N 2.96Å; E268-A272 WeakPolarHBondContact O-CB 3.25Å; E268-A272 PolarHBondContact O-N 3.41Å
269F95.2Very high93.2Very high24 Ų2449.7 Ų49.711%0.10527%0.266CS..Hα-helixtrans-63.7-44.6177.1-178.7-120.6000112.6L218 A219 K222 A230 V231 V234 D265 A266 I267 H271 A272 A273L218-F269 HydrophobicContact CB-CE1 4.13Å; A219-F269 HydrophobicContact CB-CB 4.14Å; A219-F269 HydrophobicContact CB-CD1 4.17Å; A219-F269 HydrophobicContact CB-CG 4.39Å; K222-F269 HydrophobicContact CB-CE2 4.18Å; K222-F269 HydrophobicContact CB-CZ 4.35Å; K222-F269 HydrophobicContact CD-CD2 4.25Å; A230-F269 HydrophobicContact CB-CE1 4.25Å; A230-F269 HydrophobicContact CB-CZ 3.71Å; V231-F269 HydrophobicContact CG2-CE2 3.98Å; V231-F269 HydrophobicContact CG2-CZ 4.06Å; V234-F269 HydrophobicContact CG2-CD1 4.19Å; V234-F269 HydrophobicContact CG2-CE1 3.46Å; V234-F269 VanDerWaalsContact CG2-CE1 3.46Å; V234-F269 HydrophobicContact CG2-CZ 4.15Å; D265-F269 WeakPolarHBondContact O-CB 3.29Å; D265-F269 PolarHBondContact O-N 3.23Å; A266-F269 PolarHBondContact O-N 3.46Å; I267-F269 VanDerWaalsContact C-N 3.32Å; I267-F269 PolarHBondContact O-N 3.37Å; F269-H271 VanDerWaalsContact C-N 3.33Å; F269-H271 PolarHBondContact O-N 3.29Å; F269-A272 PolarHBondContact O-N 3.16Å; F269-A273 HydrophobicContact CE2-CB 4.26Å; F269-A273 HydrophobicContact CZ-CB 4.37Å; F269-A273 VanDerWaalsContact O-CB 3.27Å; F269-A273 WeakPolarHBondContact O-CB 3.3Å; F269-A273 PolarHBondContact O-N 2.7Å
270L95.4Very high93.6Very high1 Ų155.1 Ų55.11%0.00529%0.29CS..Hα-helixtrans-64.7-36.4176.7-72.9173.2000112.4F215 V234 F238 L262 A266 I267 A272 G274 W282F215-L270 HydrophobicContact CB-CD1 4.22Å; F215-L270 HydrophobicContact CD1-CD2 3.69Å; F215-L270 HydrophobicContact CD2-CD1 4.2Å; F215-L270 HydrophobicContact CE1-CD2 3.89Å; F215-L270 HydrophobicContact CG-CD1 4.11Å; F215-L270 HydrophobicContact CG-CD2 4.06Å; F215-L270 HydrophobicContact CZ-CD2 4.42Å; V234-L270 HydrophobicContact CG1-CD2 3.82Å; V234-L270 HydrophobicContact CG2-CD2 4.26Å; F238-L270 HydrophobicContact CE2-CD2 4.11Å; F238-L270 HydrophobicContact CZ-CD2 4.37Å; L262-L270 HydrophobicContact CD1-CD1 3.74Å; A266-L270 WeakPolarHBondContact O-CB 3.3Å; A266-L270 VanDerWaalsContact O-CG 3.24Å; A266-L270 WeakPolarHBondContact O-CG 3.37Å; A266-L270 PolarHBondContact O-N 2.98Å; I267-L270 PolarHBondContact O-N 3.39Å; L270-A272 VanDerWaalsContact C-N 3.34Å; L270-G274 PolarHBondContact O-N 2.72Å; L270-W282 HydrophobicContact CB-CE3 4.38Å; L270-W282 HydrophobicContact CB-CH2 4.05Å; L270-W282 HydrophobicContact CB-CZ2 4.26Å; L270-W282 HydrophobicContact CB-CZ3 4.11Å; L270-W282 HydrophobicContact CD1-CD2 4.47Å; L270-W282 HydrophobicContact CD1-CZ2 4.1Å
271H94.8Very high93.7Very high92 Ų9255.7 Ų55.743%0.42629%0.292SS..Hα-helixtrans-64.3-38173-84.4-63.6000112.8I267 E268 F269 R279 W282I267-H271 PolarHBondContact O-CD2 3.28Å; I267-H271 PolarHBondContact O-N 3.46Å; E268-H271 PolarHBondContact O-N 2.96Å; F269-H271 VanDerWaalsContact C-N 3.33Å; F269-H271 PolarHBondContact O-N 3.29Å; H271-R279 WeakPolarHBondContact O-CD 3.47Å; H271-W282 AromaticContact CD2-CH2 3.44Å; H271-W282 VanDerWaalsContact CD2-CH2 3.44Å; H271-W282 WeakPolarHBondContact CD2-CH2 3.28Å; H271-W282 AromaticContact CD2-CZ3 3.67Å; H271-W282 AromaticContact CE1-CH2 3.74Å; H271-W282 AromaticContact CE1-CZ3 3.37Å; H271-W282 WeakPolarHBondContact CE1-CZ3 3.46Å; H271-W282 AromaticContact CG-CH2 3.94Å; H271-W282 AromaticContact CG-CZ3 3.69Å; H271-W282 AromaticContact ND1-CZ3 3.53Å; H271-W282 AromaticContact NE2-CH2 3.3Å; H271-W282 VanDerWaalsContact NE2-CH2 3.3Å; H271-W282 WeakPolarHBondContact NE2-CH2 3.38Å; H271-W282 AromaticContact NE2-CZ3 3.47Å; H271-W282 WeakPolarHBondContact NE2-CZ3 3.49Å
272A94.8Very high94Very high88 Ų8854.3 Ų54.373%0.72728%0.284SS*.Hα-helixtrans-79.1-39.8-178.700000113E268 F269 L270E268-A272 WeakPolarHBondContact O-CB 3.25Å; E268-A272 PolarHBondContact O-N 3.41Å; F269-A272 PolarHBondContact O-N 3.16Å; L270-A272 VanDerWaalsContact C-N 3.34Å
273A92.5Very high94.1Very high15 Ų1557.8 Ų57.812%0.12431%0.306CS..Hα-helixtrans-85-36.5-174.700000113.5V231 V234 H235 F269V231-A273 HydrophobicContact CG1-CB 4.19Å; V231-A273 HydrophobicContact CG2-CB 4.25Å; V234-A273 HydrophobicContact CG1-CB 4.46Å; H235-A273 PolarHBondContact CE1-O 3.31Å; H235-A273 PolarHBondContact NE2-O 3.33Å; F269-A273 HydrophobicContact CE2-CB 4.26Å; F269-A273 HydrophobicContact CZ-CB 4.37Å; F269-A273 VanDerWaalsContact O-CB 3.27Å; F269-A273 WeakPolarHBondContact O-CB 3.3Å; F269-A273 PolarHBondContact O-N 2.7Å
274G91.1Very high94.2Very high9 Ų958.5 Ų58.59%0.09331%0.308CS..  trans-74.5144-169.200000115.2L270 E278 R279L270-G274 PolarHBondContact O-N 2.72Å; G274-E278 WeakPolarHBondContact CA-OE2 3.39Å; G274-R279 PolarHBondContact O-NE 3.47Å; G274-R279 VanDerWaalsContact O-NE 3.17Å
275T94.4Very high94.2Very high58 Ų5851.3 Ų51.336%0.35628%0.281SS..  trans-66.2172.517182.20000111.7E277 E278 R279T275-E277 VanDerWaalsContact C-N 3.3Å; T275-E277 WeakPolarHBondContact CB-OE2 3.33Å; T275-E277 PolarHBondContact O-N 3.03Å; T275-E277 PolarHBondContact OG1-N 3.14Å; T275-E277 PolarHBondContact OG1-OE2 3.26Å; T275-E278 PolarHBondContact N-OE2 2.89Å; T275-E278 PolarHBondContact O-N 3.49Å; T275-E278 WeakPolarHBondContact OG1-CG 3.32Å; T275-E278 PolarHBondContact OG1-N 3.44Å; T275-R279 WeakPolarHBondContact O-CB 3.41Å; T275-R279 WeakPolarHBondContact O-CG 3.42Å; T275-R279 PolarHBondContact O-N 2.8Å; T275-R279 PolarHBondContact O-NE 3.44Å
276A94.1Very high94.3Very high58 Ų5847.3 Ų47.348%0.47926%0.261SS..Hα-helixtrans-60.4-40.7177.300000112.1H280A276-H280 VanDerWaalsContact O-CB 3.31Å; A276-H280 WeakPolarHBondContact O-CB 3.25Å; A276-H280 PolarHBondContact O-N 3.13Å
277E93.4Very high94.1Very high129 Ų12951 Ų5160%0.60328%0.281SS*.Hα-helixtrans-69.6-40.8-179.8-58.872.3-156.600111.7T275 H280 L281T275-E277 VanDerWaalsContact C-N 3.3Å; T275-E277 WeakPolarHBondContact CB-OE2 3.33Å; T275-E277 PolarHBondContact O-N 3.03Å; T275-E277 PolarHBondContact OG1-N 3.14Å; T275-E277 PolarHBondContact OG1-OE2 3.26Å; E277-H280 PolarHBondContact O-N 2.99Å; E277-L281 PolarHBondContact O-N 3Å
278E94.8Very high93.8Very high13 Ų1350.3 Ų50.36%0.06128%0.278CS..Hα-helixtrans-67.8-46.1178.2-68.6175155.900111.5H235 F238 G274 T275 H280 L281 W282H235-E278 IonicContact CE1-OE2 3.61Å; H235-E278 PolarHBondContact CE1-OE2 2.87Å; H235-E278 VanDerWaalsContact CE1-OE2 3.29Å; H235-E278 IonicContact CG-OE1 3.02Å; H235-E278 VanDerWaalsContact ND1-CD 3.35Å; H235-E278 IonicContact ND1-OE1 2.72Å; H235-E278 PolarHBondContact ND1-OE1 3.39Å; H235-E278 VanDerWaalsContact ND1-OE1 3.15Å; H235-E278 IonicContact ND1-OE2 3.56Å; H235-E278 PolarHBondContact ND1-OE2 3.42Å; F238-E278 HydrophobicContact CB-CB 4.48Å; F238-E278 HydrophobicContact CB-CG 3.82Å; F238-E278 HydrophobicContact CD1-CB 3.87Å; F238-E278 HydrophobicContact CD1-CG 4.1Å; F238-E278 HydrophobicContact CD2-CB 3.81Å; F238-E278 HydrophobicContact CD2-CG 3.88Å; F238-E278 HydrophobicContact CE1-CB 3.98Å; F238-E278 VanDerWaalsContact CE1-O 3.31Å; F238-E278 WeakPolarHBondContact CE1-O 2.9Å; F238-E278 HydrophobicContact CE2-CB 3.93Å; F238-E278 HydrophobicContact CE2-CG 4.5Å; F238-E278 HydrophobicContact CG-CB 3.79Å; F238-E278 HydrophobicContact CG-CG 3.66Å; F238-E278 HydrophobicContact CZ-CB 4.02Å; G274-E278 WeakPolarHBondContact CA-OE2 3.39Å; T275-E278 PolarHBondContact N-OE2 2.89Å; T275-E278 PolarHBondContact O-N 3.49Å; T275-E278 WeakPolarHBondContact OG1-CG 3.32Å; T275-E278 PolarHBondContact OG1-N 3.44Å; E278-H280 VanDerWaalsContact C-N 3.29Å; E278-H280 PolarHBondContact O-N 2.93Å; E278-L281 PolarHBondContact O-N 3.3Å; E278-W282 WeakPolarHBondContact O-CB 3.35Å; E278-W282 PolarHBondContact O-N 3.13Å
279R95.3Very high93.8Very high101 Ų10145.8 Ų45.838%0.38126%0.257SS..Hα-helixtrans-61.8-39.4174.6-72.3-175.4-66.2146.80.7111.5H271 G274 T275 W282 V283H271-R279 WeakPolarHBondContact O-CD 3.47Å; G274-R279 PolarHBondContact O-NE 3.47Å; G274-R279 VanDerWaalsContact O-NE 3.17Å; T275-R279 WeakPolarHBondContact O-CB 3.41Å; T275-R279 WeakPolarHBondContact O-CG 3.42Å; T275-R279 PolarHBondContact O-N 2.8Å; T275-R279 PolarHBondContact O-NE 3.44Å; R279-W282 PolarHBondContact O-N 3.46Å; R279-V283 WeakPolarHBondContact O-CB 3.43Å; R279-V283 VanDerWaalsContact O-CG2 3.26Å; R279-V283 WeakPolarHBondContact O-CG2 3.33Å; R279-V283 PolarHBondContact O-N 3.08Å
280H95Very high93.7Very high134 Ų13446 Ų4662%0.6226%0.26SS*.Hα-helixtrans-62-47.3175.5-179.666.1000111.9A276 E277 E278 W282 V283 T284A276-H280 VanDerWaalsContact O-CB 3.31Å; A276-H280 WeakPolarHBondContact O-CB 3.25Å; A276-H280 PolarHBondContact O-N 3.13Å; E277-H280 PolarHBondContact O-N 2.99Å; E278-H280 VanDerWaalsContact C-N 3.29Å; E278-H280 PolarHBondContact O-N 2.93Å; H280-W282 PolarHBondContact O-N 3Å; H280-V283 PolarHBondContact O-N 3.15Å; H280-T284 PolarHBondContact O-N 3.37Å; H280-T284 VanDerWaalsContact O-N 3.1Å; H280-T284 PolarHBondContact O-OG1 3.49Å
281L94.3Very high93.4Very high26 Ų2649 Ų4914%0.13627%0.273CS..Hα-helixtrans-56.9-50.7175.4173.763000110.8F238 R242 E277 E278 T284 L285F238-L281 HydrophobicContact CD1-CD2 4.24Å; R242-L281 HydrophobicContact CB-CD2 3.68Å; R242-L281 HydrophobicContact CG-CD2 3.96Å; E277-L281 PolarHBondContact O-N 3Å; E278-L281 PolarHBondContact O-N 3.3Å; L281-T284 WeakPolarHBondContact O-CB 3.49Å; L281-T284 PolarHBondContact O-N 2.91Å; L281-L285 WeakPolarHBondContact O-CG 3.44Å; L281-L285 PolarHBondContact O-N 3.17Å
282W95.8Very high93.2Very high0 Ų045 Ų450%026%0.256CS..Hα-helixtrans-58.7-48.5-179.1169.249.8000112.9F238 I267 L270 H271 E278 R279 H280 T284 L285 W289 T290F238-W282 HydrophobicContact CE1-CB 3.91Å; F238-W282 HydrophobicContact CZ-CB 4.02Å; I267-W282 HydrophobicContact CB-CZ2 4.44Å; I267-W282 HydrophobicContact CG1-CZ2 4.21Å; I267-W282 HydrophobicContact CG2-CH2 3.95Å; I267-W282 HydrophobicContact CG2-CZ2 4.19Å; L270-W282 HydrophobicContact CB-CE3 4.38Å; L270-W282 HydrophobicContact CB-CH2 4.05Å; L270-W282 HydrophobicContact CB-CZ2 4.26Å; L270-W282 HydrophobicContact CB-CZ3 4.11Å; L270-W282 HydrophobicContact CD1-CD2 4.47Å; L270-W282 HydrophobicContact CD1-CZ2 4.1Å; H271-W282 AromaticContact CD2-CH2 3.44Å; H271-W282 VanDerWaalsContact CD2-CH2 3.44Å; H271-W282 WeakPolarHBondContact CD2-CH2 3.28Å; H271-W282 AromaticContact CD2-CZ3 3.67Å; H271-W282 AromaticContact CE1-CH2 3.74Å; H271-W282 AromaticContact CE1-CZ3 3.37Å; H271-W282 WeakPolarHBondContact CE1-CZ3 3.46Å; H271-W282 AromaticContact CG-CH2 3.94Å; H271-W282 AromaticContact CG-CZ3 3.69Å; H271-W282 AromaticContact ND1-CZ3 3.53Å; H271-W282 AromaticContact NE2-CH2 3.3Å; H271-W282 VanDerWaalsContact NE2-CH2 3.3Å; H271-W282 WeakPolarHBondContact NE2-CH2 3.38Å; H271-W282 AromaticContact NE2-CZ3 3.47Å; H271-W282 WeakPolarHBondContact NE2-CZ3 3.49Å; E278-W282 WeakPolarHBondContact O-CB 3.35Å; E278-W282 PolarHBondContact O-N 3.13Å; R279-W282 PolarHBondContact O-N 3.46Å; H280-W282 PolarHBondContact O-N 3Å; W282-T284 PolarHBondContact O-N 2.83Å; W282-L285 VanDerWaalsContact O-CB 3.3Å; W282-L285 WeakPolarHBondContact O-CB 3.32Å; W282-L285 PolarHBondContact O-N 2.95Å; W282-W289 PolarHBondContact NE1-O 3.06Å; W282-T290 HydrophobicContact CD2-CG2 4.4Å; W282-T290 HydrophobicContact CZ2-CG2 4.14Å
283V94.3Very high92.7Very high76 Ų7646 Ų4646%0.46124%0.241SC..Hα-helixtrans-62.2-33.3178.5170.90000111.7R279 H280 L285 G286 T290R279-V283 WeakPolarHBondContact O-CB 3.43Å; R279-V283 VanDerWaalsContact O-CG2 3.26Å; R279-V283 WeakPolarHBondContact O-CG2 3.33Å; R279-V283 PolarHBondContact O-N 3.08Å; H280-V283 PolarHBondContact O-N 3.15Å; V283-L285 PolarHBondContact O-N 3.34Å; V283-G286 PolarHBondContact O-N 3.1Å; V283-G286 VanDerWaalsContact O-N 3.11Å; V283-T290 HydrophobicContact CG2-CG2 4.29Å
284T94.7Very high92.3Very high54 Ų5452.4 Ų52.433%0.33127%0.272SS..Hα-helixtrans-67.1-23.1177.9-51.40000112.6T251 R255 H280 L281 W282 G286T251-T284 HydrophobicContact CG2-CG2 3.99Å; R255-T284 PolarHBondContact NH1-O 3.42Å; H280-T284 PolarHBondContact O-N 3.37Å; H280-T284 VanDerWaalsContact O-N 3.1Å; H280-T284 PolarHBondContact O-OG1 3.49Å; L281-T284 WeakPolarHBondContact O-CB 3.49Å; L281-T284 PolarHBondContact O-N 2.91Å; W282-T284 PolarHBondContact O-N 2.83Å; T284-G286 PolarHBondContact O-N 3.44Å
285L93.3Very high92.1Very high0 Ų057.1 Ų57.10%029%0.292CS..THydrogen-bonded Turntrans-69.9-6.8173.9-51.7173.9000113.3L241 V245 T251 A254 R255 L281 W282 V283 W289L241-L285 HydrophobicContact CD2-CD1 4.21Å; V245-L285 HydrophobicContact CG1-CD2 4.18Å; V245-L285 HydrophobicContact CG2-CD2 3.81Å; T251-L285 HydrophobicContact CG2-CD2 4Å; A254-L285 HydrophobicContact CB-CD2 3.65Å; R255-L285 WeakPolarHBondContact CA-O 3.28Å; R255-L285 WeakPolarHBondContact CG-O 3.47Å; L281-L285 WeakPolarHBondContact O-CG 3.44Å; L281-L285 PolarHBondContact O-N 3.17Å; W282-L285 VanDerWaalsContact O-CB 3.3Å; W282-L285 WeakPolarHBondContact O-CB 3.32Å; W282-L285 PolarHBondContact O-N 2.95Å; V283-L285 PolarHBondContact O-N 3.34Å; L285-W289 HydrophobicContact CB-CB 4.01Å; L285-W289 HydrophobicContact CB-CD2 4.09Å; L285-W289 HydrophobicContact CB-CG 3.62Å; L285-W289 HydrophobicContact CD1-CD2 3.74Å; L285-W289 HydrophobicContact CD1-CE3 3.83Å; L285-W289 HydrophobicContact CD1-CG 4.14Å; L285-W289 HydrophobicContact CD1-CH2 4.49Å; L285-W289 HydrophobicContact CD1-CZ2 4.43Å; L285-W289 HydrophobicContact CD1-CZ3 4.21Å
286G92.5Very high91.6Very high5 Ų556.6 Ų56.65%0.05228%0.283CS..  trans81.3-173.4168.500000115.4V283 T284 G288 W289 T290V283-G286 PolarHBondContact O-N 3.1Å; V283-G286 VanDerWaalsContact O-N 3.11Å; T284-G286 PolarHBondContact O-N 3.44Å; G286-G288 VanDerWaalsContact C-N 3.27Å; G286-G288 PolarHBondContact O-N 3.2Å; G286-G288 VanDerWaalsContact O-N 3.13Å; G286-W289 PolarHBondContact O-N 3.11Å; G286-T290 PolarHBondContact O-N 3.04Å; G286-T290 PolarHBondContact O-OG1 3.32Å
287D90.8Very high91.1Very high76 Ų7657.8 Ų57.841%0.40629%0.286SS..Hα-helixtrans-55.9-34.3-167.3-72.35.2000114.6W289 T290 K291 W296D287-W289 PolarHBondContact O-N 2.77Å; D287-W289 VanDerWaalsContact O-N 3.13Å; D287-T290 PolarHBondContact O-N 2.91Å; D287-K291 HydrophobicContact CB-CD 3.95Å; D287-K291 HydrophobicContact CB-CG 4.35Å; D287-K291 VanDerWaalsContact CG-CE 3.45Å; D287-K291 VanDerWaalsContact CG-NZ 3.3Å; D287-K291 WeakPolarHBondContact O-CB 3.43Å; D287-K291 PolarHBondContact O-N 3.33Å; D287-K291 IonicContact OD1-NZ 2.77Å; D287-K291 WeakPolarHBondContact OD2-CE 3.39Å; D287-K291 IonicContact OD2-NZ 2.78Å; D287-K291 PolarHBondContact OD2-NZ 2.92Å; D287-W296 HydrophobicContact CB-CH2 4.23Å; D287-W296 HydrophobicContact CB-CZ2 3.96Å
288G88.8Confident90.3Very high2 Ų260.8 Ų60.82%0.02130%0.297CS..Hα-helixtrans-62.6-18.3177.100000113.8K212 G286K212-G288 VanDerWaalsContact CE-O 3.27Å; K212-G288 WeakPolarHBondContact CE-O 3.43Å; K212-G288 PolarHBondContact NZ-O 3.12Å; G286-G288 VanDerWaalsContact C-N 3.27Å; G286-G288 PolarHBondContact O-N 3.2Å; G286-G288 VanDerWaalsContact O-N 3.13Å
289W94.5Very high89.4Confident0 Ų067.8 Ų67.80%034%0.335CS..Hα-helixtrans-107.7-19.2-180-68.978000113.1L208 F211 K212 F215 L241 A254 L262 W282 L285 G286 D287L208-W289 HydrophobicContact CB-CZ2 4.2Å; L208-W289 HydrophobicContact CD2-CH2 4.15Å; L208-W289 HydrophobicContact CD2-CZ2 3.95Å; F211-W289 HydrophobicContact CB-CH2 4.08Å; F211-W289 HydrophobicContact CB-CZ3 4.29Å; K212-W289 HydrophobicContact CD-CD2 4.23Å; K212-W289 HydrophobicContact CD-CE3 4.41Å; K212-W289 HydrophobicContact CD-CH2 4.08Å; K212-W289 HydrophobicContact CD-CZ2 3.85Å; K212-W289 HydrophobicContact CD-CZ3 4.34Å; K212-W289 HydrophobicContact CG-CD2 4.15Å; K212-W289 HydrophobicContact CG-CE3 3.83Å; K212-W289 HydrophobicContact CG-CH2 3.43Å; K212-W289 VanDerWaalsContact CG-CH2 3.43Å; K212-W289 HydrophobicContact CG-CZ2 3.76Å; K212-W289 HydrophobicContact CG-CZ3 3.46Å; K212-W289 VanDerWaalsContact CG-CZ3 3.46Å; F215-W289 HydrophobicContact CD2-CZ3 4.43Å; F215-W289 HydrophobicContact CE2-CZ3 4.17Å; L241-W289 HydrophobicContact CD1-CH2 4.08Å; L241-W289 HydrophobicContact CD1-CZ3 4.4Å; L241-W289 HydrophobicContact CD2-CZ3 4.46Å; A254-W289 PolarHBondContact O-NE1 3.46Å; L262-W289 WeakPolarHBondContact CD1-O 3.45Å; W282-W289 PolarHBondContact NE1-O 3.06Å; L285-W289 HydrophobicContact CB-CB 4.01Å; L285-W289 HydrophobicContact CB-CD2 4.09Å; L285-W289 HydrophobicContact CB-CG 3.62Å; L285-W289 HydrophobicContact CD1-CD2 3.74Å; L285-W289 HydrophobicContact CD1-CE3 3.83Å; L285-W289 HydrophobicContact CD1-CG 4.14Å; L285-W289 HydrophobicContact CD1-CH2 4.49Å; L285-W289 HydrophobicContact CD1-CZ2 4.43Å; L285-W289 HydrophobicContact CD1-CZ3 4.21Å; G286-W289 PolarHBondContact O-N 3.11Å; D287-W289 PolarHBondContact O-N 2.77Å; D287-W289 VanDerWaalsContact O-N 3.13Å
290T93.2Very high88.5Confident29 Ų2966.4 Ų66.418%0.17833%0.333CS..Hα-helixtrans-112.8-16.7-17354.80000114.3I267 W282 V283 G286 D287I267-T290 WeakPolarHBondContact CD1-O 3.44Å; W282-T290 HydrophobicContact CD2-CG2 4.4Å; W282-T290 HydrophobicContact CZ2-CG2 4.14Å; V283-T290 HydrophobicContact CG2-CG2 4.29Å; G286-T290 PolarHBondContact O-N 3.04Å; G286-T290 PolarHBondContact O-OG1 3.32Å; D287-T290 PolarHBondContact O-N 2.91Å
291K90.1Very high87.6Confident63 Ų6367.9 Ų67.927%0.27434%0.337SS..  trans-105132.1-179-65.4-174.6-179.7169.70111.8D287 E295D287-K291 HydrophobicContact CB-CD 3.95Å; D287-K291 HydrophobicContact CB-CG 4.35Å; D287-K291 VanDerWaalsContact CG-CE 3.45Å; D287-K291 VanDerWaalsContact CG-NZ 3.3Å; D287-K291 WeakPolarHBondContact O-CB 3.43Å; D287-K291 PolarHBondContact O-N 3.33Å; D287-K291 IonicContact OD1-NZ 2.77Å; D287-K291 WeakPolarHBondContact OD2-CE 3.39Å; D287-K291 IonicContact OD2-NZ 2.78Å; D287-K291 PolarHBondContact OD2-NZ 2.92Å; K291-E295 WeakPolarHBondContact CA-OE1 3.1Å; K291-E295 HydrophobicContact CB-CB 4.07Å; K291-E295 HydrophobicContact CD-CB 4.35Å; K291-E295 HydrophobicContact CG-CB 4.34Å
292C89.1Confident86.7Confident10 Ų1067.9 Ų67.97%0.06834%0.336CS..  trans-81.2168.7171.271.80000111R264 I267 L294 E295 W296R264-C292 HydrophobicContact CB-CB 4.33Å; I267-C292 HydrophobicContact CD1-CB 3.72Å; I267-C292 VanDerWaalsContact CD1-N 3.33Å; C292-L294 PolarHBondContact O-N 3.29Å; C292-E295 PolarHBondContact N-OE1 3.48Å; C292-E295 PolarHBondContact O-N 3.41Å; C292-E295 PolarHBondContact SG-OE1 3.06Å; C292-W296 VanDerWaalsContact O-CD1 3.29Å
293R85.2Confident85.6Confident109 Ų10971.1 Ų71.141%0.41136%0.357SS..G310 helixtrans-53-33-178.3178.562.7-152.3-137.214.9114.1L261 E295 W296 K298 H300L261-R293 HydrophobicContact CD1-CB 4.05Å; R293-E295 VanDerWaalsContact C-N 3.25Å; R293-E295 PolarHBondContact O-N 2.9Å; R293-W296 PolarHBondContact O-N 3.47Å; R293-K298 PolarHBondContact NH2-O 3.39Å; R293-H300 PolarHBondContact NH1-O 3.39Å; R293-H300 PolarHBondContact NH2-O 3.2Å
294L84.6Confident84.2Confident149 Ų14975.1 Ų75.178%0.7837%0.371SS*.G310 helixtrans-67.9-23.4-178.4-65.9169.8000113.4C292C292-L294 PolarHBondContact O-N 3.29Å
295E85.8Confident82.9Confident108 Ų10875.1 Ų75.151%0.50537%0.371SS..G310 helixtrans-89.5-7.9-177.7-64.7170.7-9600112.9K291 C292 R293K291-E295 WeakPolarHBondContact CA-OE1 3.1Å; K291-E295 HydrophobicContact CB-CB 4.07Å; K291-E295 HydrophobicContact CD-CB 4.35Å; K291-E295 HydrophobicContact CG-CB 4.34Å; C292-E295 PolarHBondContact N-OE1 3.48Å; C292-E295 PolarHBondContact O-N 3.41Å; C292-E295 PolarHBondContact SG-OE1 3.06Å; R293-E295 VanDerWaalsContact C-N 3.25Å; R293-E295 PolarHBondContact O-N 2.9Å
296W84.1Confident81.8Confident46 Ų4678.6 Ų78.617%0.17440%0.4CS..SBendtrans-91.4150.4175.1-71.389.6000111.1L258 D287 C292 R293 K298 F302L258-W296 HydrophobicContact CD2-CH2 4.26Å; L258-W296 HydrophobicContact CD2-CZ2 4.42Å; D287-W296 HydrophobicContact CB-CH2 4.23Å; D287-W296 HydrophobicContact CB-CZ2 3.96Å; C292-W296 VanDerWaalsContact O-CD1 3.29Å; R293-W296 PolarHBondContact O-N 3.47Å; W296-K298 PolarHBondContact O-N 3.3Å; W296-F302 HydrophobicContact CB-CE2 3.98Å; W296-F302 HydrophobicContact CB-CZ 4.13Å; W296-F302 HydrophobicContact CD2-CE2 4.32Å; W296-F302 AromaticContact CD2-CZ 3.56Å; W296-F302 HydrophobicContact CD2-CZ 3.56Å; W296-F302 AromaticContact CE2-CZ 3.93Å; W296-F302 AromaticContact CE3-CZ 3.88Å; W296-F302 HydrophobicContact CE3-CZ 3.88Å; W296-F302 AromaticContact CG-CE2 3.97Å; W296-F302 HydrophobicContact CG-CE2 3.97Å; W296-F302 AromaticContact CG-CZ 3.64Å; W296-F302 HydrophobicContact CG-CZ 3.64Å
297P84.6Confident81.3Confident83 Ų8380.2 Ų80.254%0.53941%0.407SS..  trans-52.4137.6172.9-25.134.4000111.3D299 H300P297-D299 PolarHBondContact O-N 3.2Å; P297-D299 VanDerWaalsContact O-N 3.17Å; P297-H300 HydrophobicContact CB-CB 4.38Å; P297-H300 VanDerWaalsContact O-CB 3.32Å; P297-H300 WeakPolarHBondContact O-CB 3.41Å; P297-H300 PolarHBondContact O-N 3.08Å
298K75.3Confident80.9Confident192 Ų19285.9 Ų85.984%0.83542%0.422SS*.THydrogen-bonded Turntrans-57.1-34.5-177.6-70.1-176.6173.61790112.3R293 W296 H300R293-K298 PolarHBondContact NH2-O 3.39Å; W296-K298 PolarHBondContact O-N 3.3Å; K298-H300 VanDerWaalsContact C-N 3.27Å; K298-H300 PolarHBondContact O-N 2.99Å
299D76.5Confident80.9Confident160 Ų16086.5 Ų86.586%0.85643%0.425SS*.THydrogen-bonded Turntrans-80.7-4.6-178.9-48.4-45.3000113.4P297 F301P297-D299 PolarHBondContact O-N 3.2Å; P297-D299 VanDerWaalsContact O-N 3.17Å; D299-F301 PolarHBondContact O-N 3.1Å
300H75.1Confident80.4Confident73 Ų7392.9 Ų92.934%0.33845%0.449SS..  trans-77114.6176-161.685.7000109.9R293 P297 K298 F302R293-H300 PolarHBondContact NH1-O 3.39Å; R293-H300 PolarHBondContact NH2-O 3.2Å; P297-H300 HydrophobicContact CB-CB 4.38Å; P297-H300 VanDerWaalsContact O-CB 3.32Å; P297-H300 WeakPolarHBondContact O-CB 3.41Å; P297-H300 PolarHBondContact O-N 3.08Å; K298-H300 VanDerWaalsContact C-N 3.27Å; K298-H300 PolarHBondContact O-N 2.99Å; H300-F302 HydrophobicContact CB-CE2 4.34Å; H300-F302 AromaticContact CD2-CD2 3.91Å; H300-F302 AromaticContact CD2-CE1 3.62Å; H300-F302 AromaticContact CD2-CE2 3.41Å; H300-F302 VanDerWaalsContact CD2-CE2 3.41Å; H300-F302 WeakPolarHBondContact CD2-CE2 3.35Å; H300-F302 AromaticContact CD2-CZ 3.25Å; H300-F302 WeakPolarHBondContact CD2-CZ 3.46Å; H300-F302 AromaticContact NE2-CE1 3.86Å; H300-F302 AromaticContact NE2-CZ 3.89Å
301F77Confident79.7Confident164 Ų16496 Ų9672%0.71947%0.465SS*.  trans-83.4133.2178.5-178.8-100000110.9D299 P303D299-F301 PolarHBondContact O-N 3.1Å; F301-P303 HydrophobicContact CE1-CB 4.06Å
302F76.6Confident79.4Confident26 Ų2695.9 Ų95.911%0.11448%0.481CS..  trans-117.7119.8171.3-66.7-86.1000108.4L258 V259 L261 W296 H300L258-F302 HydrophobicContact CB-CE1 4.29Å; L258-F302 HydrophobicContact CD1-CE1 4.4Å; V259-F302 HydrophobicContact CG2-CB 4.15Å; V259-F302 HydrophobicContact CG2-CD1 4.01Å; L261-F302 HydrophobicContact CD1-CD1 4.12Å; L261-F302 HydrophobicContact CD1-CD2 3.79Å; L261-F302 HydrophobicContact CD1-CE1 4.09Å; L261-F302 HydrophobicContact CD1-CE2 3.73Å; L261-F302 HydrophobicContact CD1-CG 3.96Å; L261-F302 HydrophobicContact CD1-CZ 3.87Å; L261-F302 HydrophobicContact CD2-CD1 4.22Å; L261-F302 HydrophobicContact CD2-CE1 3.77Å; L261-F302 HydrophobicContact CD2-CZ 4Å; L261-F302 HydrophobicContact CG-CD1 4.19Å; L261-F302 HydrophobicContact CG-CE1 4.19Å; L261-F302 HydrophobicContact CG-CG 4.43Å; L261-F302 HydrophobicContact CG-CZ 4.4Å; W296-F302 HydrophobicContact CB-CE2 3.98Å; W296-F302 HydrophobicContact CB-CZ 4.13Å; W296-F302 HydrophobicContact CD2-CE2 4.32Å; W296-F302 AromaticContact CD2-CZ 3.56Å; W296-F302 HydrophobicContact CD2-CZ 3.56Å; W296-F302 AromaticContact CE2-CZ 3.93Å; W296-F302 AromaticContact CE3-CZ 3.88Å; W296-F302 HydrophobicContact CE3-CZ 3.88Å; W296-F302 AromaticContact CG-CE2 3.97Å; W296-F302 HydrophobicContact CG-CE2 3.97Å; W296-F302 AromaticContact CG-CZ 3.64Å; W296-F302 HydrophobicContact CG-CZ 3.64Å; H300-F302 HydrophobicContact CB-CE2 4.34Å; H300-F302 AromaticContact CD2-CD2 3.91Å; H300-F302 AromaticContact CD2-CE1 3.62Å; H300-F302 AromaticContact CD2-CE2 3.41Å; H300-F302 VanDerWaalsContact CD2-CE2 3.41Å; H300-F302 WeakPolarHBondContact CD2-CE2 3.35Å; H300-F302 AromaticContact CD2-CZ 3.25Å; H300-F302 WeakPolarHBondContact CD2-CZ 3.46Å; H300-F302 AromaticContact NE2-CE1 3.86Å; H300-F302 AromaticContact NE2-CZ 3.89Å
303P72.2Confident79.2Confident68 Ų6898 Ų9844%0.44249%0.488SS..  trans-65.9146.1178.627.1-33.9000110.6V259 F301 V305V259-P303 WeakPolarHBondContact CG1-O 3.44Å; V259-P303 HydrophobicContact CG2-CG 4.32Å; F301-P303 HydrophobicContact CE1-CB 4.06Å; P303-V305 PolarHBondContact O-N 3.18Å
304Q65.3Low79Confident161 Ų161100.4 Ų100.475%0.75250%0.504SS*.  trans-72.7113.7169.5-64.2-169.11400108.9
305V65.6Low78.6Confident54 Ų5495 Ų9533%0.32748%0.477SS..  trans-92.8110.9170.7175.10000107.5V259 P303 L307V259-V305 HydrophobicContact CB-CG2 3.95Å; V259-V305 HydrophobicContact CG1-CB 3.78Å; V259-V305 HydrophobicContact CG1-CG2 3.53Å; P303-V305 PolarHBondContact O-N 3.18Å; V305-L307 PolarHBondContact O-N 2.63Å
306A71.3Confident77.9Confident73 Ų7393 Ų9360%0.60347%0.474SS*.  trans-66.2128.7171.200000109.4R308A306-R308 PolarHBondContact O-N 3.27Å
307L80.9Confident77Confident38 Ų3897.4 Ų97.420%0.19951%0.505CS..  trans-67.1120.1175.6-175.661.1000109I148 I152 K210 H213 V305 F309I148-L307 HydrophobicContact CG2-CD2 3.95Å; I152-L307 HydrophobicContact CD1-CD2 3.84Å; I152-L307 HydrophobicContact CG1-CD1 4.48Å; I152-L307 HydrophobicContact CG1-CD2 3.86Å; K210-L307 HydrophobicContact CG-CD1 4.06Å; H213-L307 HydrophobicContact CB-CD1 4.5Å; V305-L307 PolarHBondContact O-N 2.63Å; L307-F309 HydrophobicContact CB-CE2 4.45Å; L307-F309 HydrophobicContact CD2-CE1 3.9Å; L307-F309 HydrophobicContact CD2-CE2 3.66Å; L307-F309 HydrophobicContact CD2-CZ 3.2Å; L307-F309 HydrophobicContact CG-CD2 4.36Å; L307-F309 HydrophobicContact CG-CE1 4.13Å; L307-F309 HydrophobicContact CG-CE2 3.72Å; L307-F309 HydrophobicContact CG-CZ 3.63Å
308R83.7Confident75.7Confident195 Ų19595.1 Ų95.174%0.73649%0.49SS*.  trans-111121.2179.3-68.8-179.6179.4166.90.7110.1K210 A306K210-R308 VanDerWaalsContact CE-O 3.24Å; K210-R308 WeakPolarHBondContact CE-O 3.46Å; K210-R308 PolarHBondContact NZ-O 3.18Å; A306-R308 PolarHBondContact O-N 3.27Å
309F88.3Confident74.3Confident15 Ų1590.9 Ų90.97%0.06648%0.482CS..  trans-94.7147.2178.4-61.9-82.2000111.2I148 H151 I152 D155 L307 D311 G312 W313 P315I148-F309 HydrophobicContact CG2-CZ 4.31Å; H151-F309 HydrophobicContact CB-CD1 3.52Å; H151-F309 HydrophobicContact CB-CE1 3.34Å; H151-F309 HydrophobicContact CB-CG 4.31Å; H151-F309 HydrophobicContact CB-CZ 4Å; I152-F309 HydrophobicContact CG1-CE1 3.8Å; I152-F309 HydrophobicContact CG1-CZ 4.2Å; D155-F309 WeakPolarHBondContact OD2-CA 3.5Å; L307-F309 HydrophobicContact CB-CE2 4.45Å; L307-F309 HydrophobicContact CD2-CE1 3.9Å; L307-F309 HydrophobicContact CD2-CE2 3.66Å; L307-F309 HydrophobicContact CD2-CZ 3.2Å; L307-F309 HydrophobicContact CG-CD2 4.36Å; L307-F309 HydrophobicContact CG-CE1 4.13Å; L307-F309 HydrophobicContact CG-CE2 3.72Å; L307-F309 HydrophobicContact CG-CZ 3.63Å; F309-D311 VanDerWaalsContact C-N 3.28Å; F309-D311 WeakPolarHBondContact CB-OD1 3.34Å; F309-D311 PolarHBondContact O-N 3.17Å; F309-G312 PolarHBondContact O-N 3.25Å; F309-W313 HydrophobicContact CB-CB 4.46Å; F309-W313 AromaticContact CD2-CE3 3.66Å; F309-W313 HydrophobicContact CD2-CE3 3.66Å; F309-W313 HydrophobicContact CD2-CZ3 4.22Å; F309-W313 WeakPolarHBondContact CD2-O 3.42Å; F309-W313 HydrophobicContact CE1-CE3 4.5Å; F309-W313 AromaticContact CE2-CE3 3.48Å; F309-W313 HydrophobicContact CE2-CE3 3.48Å; F309-W313 VanDerWaalsContact CE2-CE3 3.48Å; F309-W313 AromaticContact CE2-CZ3 3.55Å; F309-W313 HydrophobicContact CE2-CZ3 3.55Å; F309-W313 HydrophobicContact CG-CE3 4.19Å; F309-W313 AromaticContact CZ-CE3 3.9Å; F309-W313 HydrophobicContact CZ-CE3 3.9Å; F309-W313 AromaticContact CZ-CZ3 3.72Å; F309-W313 HydrophobicContact CZ-CZ3 3.72Å; F309-P315 HydrophobicContact CE2-CG 4.33Å
310R84.1Confident72.6Confident134 Ų13487.1 Ų87.151%0.50647%0.473SS..THydrogen-bonded Turntrans-70.7-23.9-175.3-67178.258.9-99.9-12.4114D155 F158 G312D155-R310 VanDerWaalsContact OD1-CB 3.27Å; D155-R310 WeakPolarHBondContact OD1-CB 3.31Å; D155-R310 WeakPolarHBondContact OD1-CD 3.49Å; D155-R310 VanDerWaalsContact OD1-CG 3.26Å; D155-R310 WeakPolarHBondContact OD1-CG 3.45Å; D155-R310 WeakPolarHBondContact OD2-CG 3.26Å; D155-R310 PolarHBondContact OD2-N 3.14Å; D155-R310 VanDerWaalsContact OD2-N 3.16Å; F158-R310 VanDerWaalsContact CG-CZ 3.5Å; F158-R310 VanDerWaalsContact CZ-CZ 3.47Å; R310-G312 VanDerWaalsContact C-N 3.28Å
311D79.4Confident70.9Confident96 Ų9689.2 Ų89.251%0.51349%0.491SS..THydrogen-bonded Turntrans-82.6-4.7175.356.53.6000112.9H151 F309 W313H151-D311 IonicContact CE1-OD2 2.79Å; H151-D311 PolarHBondContact CE1-OD2 2.8Å; H151-D311 IonicContact ND1-OD2 2.89Å; H151-D311 PolarHBondContact ND1-OD2 3.29Å; F309-D311 VanDerWaalsContact C-N 3.28Å; F309-D311 WeakPolarHBondContact CB-OD1 3.34Å; F309-D311 PolarHBondContact O-N 3.17Å; D311-W313 PolarHBondContact O-N 2.91Å; D311-W313 WeakPolarHBondContact OD1-CB 3.44Å; D311-W313 PolarHBondContact OD1-N 3Å
312G82.1Confident68.8Low60 Ų6085.1 Ų85.162%0.61949%0.487SS*.  trans73.511.6-174.100000113.2F309 R310F309-G312 PolarHBondContact O-N 3.25Å; R310-G312 VanDerWaalsContact C-N 3.28Å
313W86.6Confident66.8Low54 Ų5485.7 Ų85.721%0.20549%0.493CS..  trans-64.7138.9172.5-175.884.9000109.6Q147 I148 H151 F309 D311 P315Q147-W313 HydrophobicContact CB-CH2 3.94Å; Q147-W313 HydrophobicContact CB-CZ2 3.86Å; I148-W313 HydrophobicContact CG1-CH2 3.75Å; I148-W313 HydrophobicContact CG1-CZ3 3.91Å; H151-W313 HydrophobicContact CB-CE3 4.1Å; H151-W313 HydrophobicContact CB-CZ3 4.33Å; H151-W313 AromaticContact CD2-CD2 3.51Å; H151-W313 AromaticContact CD2-CE2 3.67Å; H151-W313 AromaticContact CD2-CE3 3.57Å; H151-W313 AromaticContact CD2-CH2 3.94Å; H151-W313 AromaticContact CD2-CZ2 3.9Å; H151-W313 AromaticContact CD2-CZ3 3.78Å; H151-W313 AromaticContact CE1-CD1 3.81Å; H151-W313 AromaticContact CE1-CD2 3.85Å; H151-W313 AromaticContact CE1-CG 3.59Å; H151-W313 AromaticContact CG-CD2 3.93Å; H151-W313 AromaticContact CG-CE3 3.75Å; H151-W313 AromaticContact NE2-CD1 3.72Å; H151-W313 AromaticContact NE2-CD2 3.51Å; H151-W313 AromaticContact NE2-CE2 3.5Å; H151-W313 AromaticContact NE2-CG 3.68Å; H151-W313 AromaticContact NE2-NE1 3.61Å; F309-W313 HydrophobicContact CB-CB 4.46Å; F309-W313 AromaticContact CD2-CE3 3.66Å; F309-W313 HydrophobicContact CD2-CE3 3.66Å; F309-W313 HydrophobicContact CD2-CZ3 4.22Å; F309-W313 WeakPolarHBondContact CD2-O 3.42Å; F309-W313 HydrophobicContact CE1-CE3 4.5Å; F309-W313 AromaticContact CE2-CE3 3.48Å; F309-W313 HydrophobicContact CE2-CE3 3.48Å; F309-W313 VanDerWaalsContact CE2-CE3 3.48Å; F309-W313 AromaticContact CE2-CZ3 3.55Å; F309-W313 HydrophobicContact CE2-CZ3 3.55Å; F309-W313 HydrophobicContact CG-CE3 4.19Å; F309-W313 AromaticContact CZ-CE3 3.9Å; F309-W313 HydrophobicContact CZ-CE3 3.9Å; F309-W313 AromaticContact CZ-CZ3 3.72Å; F309-W313 HydrophobicContact CZ-CZ3 3.72Å; D311-W313 PolarHBondContact O-N 2.91Å; D311-W313 WeakPolarHBondContact OD1-CB 3.44Å; D311-W313 PolarHBondContact OD1-N 3Å; W313-P315 HydrophobicContact CH2-CB 4.03Å; W313-P315 HydrophobicContact CH2-CG 4.13Å; W313-P315 HydrophobicContact CZ3-CB 4.23Å; W313-P315 HydrophobicContact CZ3-CG 3.81Å
314E80.2Confident65.5Low160 Ų16086.1 Ų86.175%0.74850%0.498SS*.  trans-127.6140.1173.6-68-173.5170.200108.5
315P76.1Confident64.1Low34 Ų3488.1 Ų88.122%0.22150%0.499CS..  trans-61.9136-178.7-19.130.4000110.7R144 I148 F309 W313 V317R144-P315 HydrophobicContact CG-CB 4.49Å; I148-P315 HydrophobicContact CD1-CB 3.87Å; I148-P315 HydrophobicContact CD1-CG 3.92Å; I148-P315 HydrophobicContact CG1-CB 3.95Å; I148-P315 HydrophobicContact CG1-CG 3.82Å; F309-P315 HydrophobicContact CE2-CG 4.33Å; W313-P315 HydrophobicContact CH2-CB 4.03Å; W313-P315 HydrophobicContact CH2-CG 4.13Å; W313-P315 HydrophobicContact CZ3-CB 4.23Å; W313-P315 HydrophobicContact CZ3-CG 3.81Å; P315-V317 PolarHBondContact O-N 3.43Å
316P71.1Confident63Low67 Ų6792.6 Ų92.644%0.43552%0.516SS..  trans-51.5133.8175.7-26.833.1000111.7R144 V318R144-P316 PolarHBondContact NE-O 3.41Å; P316-V318 PolarHBondContact O-N 3.36Å; P316-V318 VanDerWaalsContact O-N 3.08Å
317V66.1Low61.6Low139 Ų13994.4 Ų94.484%0.84251%0.512SS*.  trans-75.998.1175.5-174.20000107.4P315P315-V317 PolarHBondContact O-N 3.43Å
318V57.1Low59.8Low34 Ų3497 Ų9721%0.20652%0.523CS..  trans-71.3126.8172.7-175.80000107.6M137 L141 P316 A320M137-V318 HydrophobicContact CE-CG1 3.5Å; M137-V318 HydrophobicContact SD-CG1 4.45Å; L141-V318 HydrophobicContact CD2-CB 4.29Å; L141-V318 HydrophobicContact CD2-CG1 4.17Å; L141-V318 HydrophobicContact CD2-CG2 4.14Å; P316-V318 PolarHBondContact O-N 3.36Å; P316-V318 VanDerWaalsContact O-N 3.08Å; V318-A320 PolarHBondContact O-N 3.45Å; V318-A320 VanDerWaalsContact O-N 3.08Å
319P45.7Very low58Low103 Ų10393 Ų9367%0.66952%0.516SS*.  trans-54.9118.7173-21.231.3000108.5V321P319-V321 PolarHBondContact O-N 3.15Å
320A39.8Very low56.3Low82 Ų8297.1 Ų97.168%0.67854%0.538SS*.  trans-58.1115.1-175.200000110.1V318 A322V318-A320 PolarHBondContact O-N 3.45Å; V318-A320 VanDerWaalsContact O-N 3.08Å; A320-A322 PolarHBondContact O-N 2.73Å
321V40.2Very low54.5Low116 Ų11696.9 Ų96.970%0.70354%0.543SS*.SBendtrans-58.5127.5143.6-179.60000104.6M137 P319M137-V321 HydrophobicContact CE-CG2 4.03Å; P319-V321 PolarHBondContact O-N 3.15Å
322A32.5Very low53Low78 Ų7897.1 Ų97.165%0.64554%0.543SS*.  trans-27.2128.1-165.500000114A320 S324A320-A322 PolarHBondContact O-N 2.73Å; A322-S324 PolarHBondContact O-N 3.18Å; A322-S324 VanDerWaalsContact O-N 3.16Å
323P34.6Very low51.4Low38 Ų3896.6 Ų96.625%0.24753%0.533CS..  trans-50.9128.1177.820-30.2000108.8R325 Q327 E328P323-R325 PolarHBondContact O-N 3.17Å; P323-Q327 HydrophobicContact CB-CB 3.61Å; P323-E328 HydrophobicContact CB-CG 4.18Å; P323-E328 HydrophobicContact CG-CG 3.7Å
324S45.9Very low49.5Very low78 Ų7899 Ų9955%0.54555%0.547SS..  trans-48.6136.4168.78.20000107.3A322 E326 Q327A322-S324 PolarHBondContact O-N 3.18Å; A322-S324 VanDerWaalsContact O-N 3.16Å; S324-E326 CarbonylContact O-C 3.6Å; S324-E326 PolarHBondContact O-N 3.4Å; S324-Q327 WeakPolarHBondContact O-CB 3.39Å; S324-Q327 PolarHBondContact O-N 3.21Å
325R35.9Very low47.8Very low203 Ų20394.3 Ų94.377%0.76653%0.532SS*.Hα-helixtrans-39.8-23.6-178.2-173.5178.4175.8-173.6-0.1115.5P323 L329P323-R325 PolarHBondContact O-N 3.17Å; R325-L329 WeakPolarHBondContact O-CD1 3.41Å; R325-L329 VanDerWaalsContact O-CG 3.26Å; R325-L329 WeakPolarHBondContact O-CG 3.1Å; R325-L329 PolarHBondContact O-N 3.37Å
326E40.8Very low46.3Very low148 Ų14898.2 Ų98.269%0.69255%0.55SS*.Hα-helixtrans-69.3-40.5172.6-160172.6-172.200114.1S324 L329 L330S324-E326 CarbonylContact O-C 3.6Å; S324-E326 PolarHBondContact O-N 3.4Å; E326-L329 PolarHBondContact O-N 3.37Å; E326-L330 VanDerWaalsContact O-CG 3.25Å; E326-L330 WeakPolarHBondContact O-CG 3.3Å; E326-L330 PolarHBondContact O-N 3.06Å; E326-L330 VanDerWaalsContact O-N 3.12Å
327Q42.3Very low45.3Very low111 Ų11199.7 Ų99.752%0.51956%0.558SS.*Hα-helixtrans-70.5-35.5173.7-79.3175.2-1400112.5P323 S324 L330 Q331P323-Q327 HydrophobicContact CB-CB 3.61Å; S324-Q327 WeakPolarHBondContact O-CB 3.39Å; S324-Q327 PolarHBondContact O-N 3.21Å; Q327-L330 PolarHBondContact O-N 3.39Å; Q327-Q331 WeakPolarHBondContact O-CB 3.44Å; Q327-Q331 PolarHBondContact O-N 3.09Å
328E43.9Very low44.3Very low93 Ų9397.5 Ų97.544%0.43554%0.541SS..Hα-helixtrans-63.6-41.5172.6-66.9-176.4157.200111.4P323 L330 Q331 L332P323-E328 HydrophobicContact CB-CG 4.18Å; P323-E328 HydrophobicContact CG-CG 3.7Å; E328-L330 VanDerWaalsContact C-N 3.31Å; E328-L330 PolarHBondContact O-N 3.33Å; E328-Q331 PolarHBondContact O-N 3.03Å; E328-L332 VanDerWaalsContact O-CB 3.3Å; E328-L332 WeakPolarHBondContact O-CB 3.27Å; E328-L332 WeakPolarHBondContact O-CD1 3.37Å; E328-L332 VanDerWaalsContact O-CG 3.29Å; E328-L332 WeakPolarHBondContact O-CG 3.26Å; E328-L332 PolarHBondContact O-N 2.87Å
329L44.7Very low43.7Very low110 Ų11098.8 Ų98.858%0.57656%0.556SS**Hα-helixtrans-64.6-35.1175.3-75.1168.5000112.3R325 E326 A333R325-L329 WeakPolarHBondContact O-CD1 3.41Å; R325-L329 VanDerWaalsContact O-CG 3.26Å; R325-L329 WeakPolarHBondContact O-CG 3.1Å; R325-L329 PolarHBondContact O-N 3.37Å; E326-L329 PolarHBondContact O-N 3.37Å; L329-A333 WeakPolarHBondContact O-CB 3.43Å; L329-A333 PolarHBondContact O-N 3.03Å
330L53.7Low43.3Very low101 Ų101100 Ų10053%0.52956%0.556SS.*Hα-helixtrans-74-37.7176.5-69.3168.5000112.3E326 Q327 E328 A333 E334E326-L330 VanDerWaalsContact O-CG 3.25Å; E326-L330 WeakPolarHBondContact O-CG 3.3Å; E326-L330 PolarHBondContact O-N 3.06Å; E326-L330 VanDerWaalsContact O-N 3.12Å; Q327-L330 PolarHBondContact O-N 3.39Å; E328-L330 VanDerWaalsContact C-N 3.31Å; E328-L330 PolarHBondContact O-N 3.33Å; L330-A333 WeakPolarHBondContact O-CB 3.24Å; L330-A333 PolarHBondContact O-N 2.95Å; L330-E334 PolarHBondContact O-N 3.2Å
331Q46.9Very low43.2Very low130 Ų13099.4 Ų99.461%0.60755%0.552SS**Hα-helixtrans-71.8-33.6176.6-161.3163.868.600111.6Q327 E328 E334 S335Q327-Q331 WeakPolarHBondContact O-CB 3.44Å; Q327-Q331 PolarHBondContact O-N 3.09Å; E328-Q331 PolarHBondContact O-N 3.03Å; Q331-E334 PolarHBondContact O-N 3.14Å; Q331-S335 WeakPolarHBondContact O-CB 3.33Å; Q331-S335 PolarHBondContact O-N 3.39Å
332L46.4Very low43Very low100 Ų100104.2 Ų104.252%0.52456%0.557SS.*Hα-helixtrans-63.8-42.6167.9-79.8162.3000111.5E328 E334 S335 L336E328-L332 VanDerWaalsContact O-CB 3.3Å; E328-L332 WeakPolarHBondContact O-CB 3.27Å; E328-L332 WeakPolarHBondContact O-CD1 3.37Å; E328-L332 VanDerWaalsContact O-CG 3.29Å; E328-L332 WeakPolarHBondContact O-CG 3.26Å; E328-L332 PolarHBondContact O-N 2.87Å; L332-E334 PolarHBondContact O-N 2.71Å; L332-S335 WeakPolarHBondContact CA-OG 3.38Å; L332-S335 PolarHBondContact O-N 3.4Å; L332-S335 PolarHBondContact O-OG 2.88Å; L332-L336 WeakPolarHBondContact O-CG 3.31Å; L332-L336 PolarHBondContact O-N 3.44Å
333A49Very low43.1Very low50 Ų50103.6 Ų103.641%0.41356%0.558SS.*Hα-helixtrans-62.6-40.8175.100000112.4L329 L330 L336 V337L329-A333 WeakPolarHBondContact O-CB 3.43Å; L329-A333 PolarHBondContact O-N 3.03Å; L330-A333 WeakPolarHBondContact O-CB 3.24Å; L330-A333 PolarHBondContact O-N 2.95Å; A333-L336 PolarHBondContact O-N 2.87Å; A333-V337 WeakPolarHBondContact O-CG2 3.43Å; A333-V337 PolarHBondContact O-N 3.18Å; A333-V337 VanDerWaalsContact O-N 3.15Å
334E46.5Very low43Very low105 Ų105105.9 Ų105.949%0.49158%0.58SS.*Hα-helixtrans-64.3-38.5173.8-115.2172.6-17700112.6L330 Q331 L332 V337 N338L330-E334 PolarHBondContact O-N 3.2Å; Q331-E334 PolarHBondContact O-N 3.14Å; L332-E334 PolarHBondContact O-N 2.71Å; E334-V337 PolarHBondContact O-N 3.01Å; E334-N338 WeakPolarHBondContact O-CB 3.47Å; E334-N338 VanDerWaalsContact O-CG 3.3Å; E334-N338 PolarHBondContact O-N 3.36Å; E334-N338 PolarHBondContact O-ND2 3.19Å; E334-N338 VanDerWaalsContact O-ND2 3.09Å
335S45.6Very low42.2Very low61 Ų61106.2 Ų106.243%0.42759%0.588SS.*Hα-helixtrans-67.6-34.6177.575.70000113Q331 L332 A339Q331-S335 WeakPolarHBondContact O-CB 3.33Å; Q331-S335 PolarHBondContact O-N 3.39Å; L332-S335 WeakPolarHBondContact CA-OG 3.38Å; L332-S335 PolarHBondContact O-N 3.4Å; L332-S335 PolarHBondContact O-OG 2.88Å; S335-A339 WeakPolarHBondContact O-CB 3.47Å; S335-A339 PolarHBondContact O-N 2.84Å
336L43.4Very low42.1Very low115 Ų115103.6 Ų103.660%0.60259%0.589SS**Hα-helixtrans-70.7-40.2176.4-71.6165.9000111.6L332 A333 A339 D340L332-L336 WeakPolarHBondContact O-CG 3.31Å; L332-L336 PolarHBondContact O-N 3.44Å; A333-L336 PolarHBondContact O-N 2.87Å; L336-A339 PolarHBondContact O-N 3.45Å; L336-D340 PolarHBondContact O-N 3.04Å
337V50.4Low41.5Very low99 Ų99104.8 Ų104.860%0.660%0.599SS**Hα-helixtrans-65.7-38.7175.4172.90000111.6A333 E334 A339 D340 A341A333-V337 WeakPolarHBondContact O-CG2 3.43Å; A333-V337 PolarHBondContact O-N 3.18Å; A333-V337 VanDerWaalsContact O-N 3.15Å; E334-V337 PolarHBondContact O-N 3.01Å; V337-A339 VanDerWaalsContact C-N 3.33Å; V337-D340 PolarHBondContact O-N 3.35Å; V337-A341 PolarHBondContact O-N 3.04Å; V337-A341 VanDerWaalsContact O-N 3.09Å
338N45.1Very low40.9Very low93 Ų93111 Ų11150%0.49762%0.618SS.*Hα-helixtrans-73.1-24.2177-72.4-33.8000113.3E334E334-N338 WeakPolarHBondContact O-CB 3.47Å; E334-N338 VanDerWaalsContact O-CG 3.3Å; E334-N338 PolarHBondContact O-N 3.36Å; E334-N338 PolarHBondContact O-ND2 3.19Å; E334-N338 VanDerWaalsContact O-ND2 3.09Å
339A43.7Very low40.2Very low61 Ų61112.5 Ų112.550%0.50464%0.636SS.*Hα-helixtrans-74.4-41.2171.800000111.5S335 L336 V337 A341 R342 G343S335-A339 WeakPolarHBondContact O-CB 3.47Å; S335-A339 PolarHBondContact O-N 2.84Å; L336-A339 PolarHBondContact O-N 3.45Å; V337-A339 VanDerWaalsContact C-N 3.33Å; A339-A341 VanDerWaalsContact C-N 3.34Å; A339-A341 PolarHBondContact O-N 3.36Å; A339-R342 PolarHBondContact O-N 3.4Å; A339-G343 PolarHBondContact O-N 2.96Å
340D37.1Very low39.3Very low128 Ų128112.8 Ų112.868%0.68465%0.646SS**Hα-helixtrans-66.6-33.5175.4-89.5-14.1000112.6L336 V337 R342 G343 A344L336-D340 PolarHBondContact O-N 3.04Å; V337-D340 PolarHBondContact O-N 3.35Å; D340-R342 PolarHBondContact O-N 3.41Å; D340-G343 PolarHBondContact O-N 3.17Å; D340-A344 PolarHBondContact O-N 2.97Å
341A39.6Very low37.9Very low70 Ų70116.4 Ų116.458%0.57967%0.665SS**Hα-helixtrans-67.3-21.517500000113.9V337 A339V337-A341 PolarHBondContact O-N 3.04Å; V337-A341 VanDerWaalsContact O-N 3.09Å; A339-A341 VanDerWaalsContact C-N 3.34Å; A339-A341 PolarHBondContact O-N 3.36Å
342R36Very low36.7Very low216 Ų216118.3 Ų118.382%0.81567%0.674SS**Hα-helixtrans-92.9-17.6176.2-67.7179.8-173.7167.83.8113.2A339 D340A339-R342 PolarHBondContact O-N 3.4Å; D340-R342 PolarHBondContact O-N 3.41Å
343G34.4Very low35.6Very low65 Ų65122.6 Ų122.667%0.6769%0.691SS**Hα-helixtrans-87.4-19174.900000114.6A339 D340A339-G343 PolarHBondContact O-N 2.96Å; D340-G343 PolarHBondContact O-N 3.17Å
344A31.2Very low34.3Very low86 Ų86124.1 Ų124.171%0.71171%0.712SS**THydrogen-bonded Turntrans-97.617.7-175.600000114.8D340D340-A344 PolarHBondContact O-N 2.97Å
345A29.1Very low33.3Very low86 Ų86123.6 Ų123.671%0.71173%0.725SS**THydrogen-bonded Turntrans-86.7-9.8178.800000114.3
346D33.8Very low32.3Very low148 Ų148127.9 Ų127.979%0.79174%0.742SS**SBendtrans-119.9105.4177.1-106.8-22.9000110.3
347L28.9Very low31.4Very low172 Ų172130.2 Ų130.290%0.90175%0.75SS**  trans131.774.2164.6-70.2163.6000112.2
348R30Very low30.2Very low241 Ų241135.2 Ų135.291%0.90976%0.758SS**  trans-83.9142.1143.9-86.9-173.7160.6172.4-3.5108.7
349P29.4Very low29.2Very low126 Ų126138.6 Ų138.682%0.81877%0.769SS**  -133.4155.8111.615.64.9000114.4
350C24.8Very low28.3Very low116 Ų116140.7 Ų140.778%0.78478%0.777SS**  trans-52.8142.3-179.6-65.40000115.6
351L24.1Very low28.1Very low176 Ų176144.4 Ų144.492%0.92179%0.79SS**  trans-142.899.8141.2-119140000108.2
352E22.7Very low27.3Very low171 Ų171145.4 Ų145.480%0.79980%0.799SS**  trans-67.5132.3156.3-70.8-179.412400108.4
353Q22.6Very low26.9Very low190 Ų190142.4 Ų142.489%0.88880%0.799SS**  159.9130.6126.4-87.9176.57.900112.9
354G22.3Very low26.8Very low82 Ų82142.6 Ų142.685%0.84580%0.801SS**  trans91.8120.3157.700000114.8
355A24.3Very low26.6Very low93 Ų93149.8 Ų149.877%0.76981%0.811SS**  cis-152.5124.414.900000110.2Q357A355-Q357 PolarHBondContact O-N 2.83Å
356L25.6Very low26.5Very low151 Ų151150.3 Ų150.379%0.79182%0.816SS**  trans-64.7111.3155.2-83.2159.2000108.1
357Q24Very low26.2Very low164 Ų164151.4 Ų151.477%0.76682%0.821SS**  trans-94.190150.4-76.5-155.91000108.9A355A355-Q357 PolarHBondContact O-N 2.83Å
358R25.6Very low26Very low205 Ų205151 Ų15177%0.77481%0.814SS**  trans-77.2122.3160.2173.3163.7-77.1151.9-1.7107.6
359F23.8Very low26Very low164 Ų164147 Ų14772%0.71981%0.81SS**  trans-121.2154.7162.4-88.4-67.1000109.1
360P25.5Very low25.9Very low105 Ų105144 Ų14468%0.68279%0.792SS**  -98.8158.6-124.61.319.5000113.2A362P360-A362 PolarHBondContact O-N 3.41Å
361Q31.7Very low26.2Very low205 Ų205142.5 Ų142.596%0.95879%0.789SS**  trans-61.2116.3161.1-159.3172.619.900108.3
362A24.8Very low27Very low91 Ų91140.8 Ų140.875%0.75277%0.771SS**  trans-134.7130.7170.800000109.3P360P360-A362 PolarHBondContact O-N 3.41Å
363D27.5Very low27.2Very low154 Ų154141.7 Ų141.782%0.82477%0.772SS**  trans-53.1145.7-178.5-71.3-62.1000114.4
364G31.7Very low27.8Very low69 Ų69136.2 Ų136.271%0.71177%0.766SS**  trans55.287.3143.500000118.3
365Y26.9Very low28.2Very low236 Ų236136.9 Ų136.993%0.92575%0.746SS**  trans-135.3127.8148.3-74.2-79000111.9L367Y365-L367 PolarHBondContact O-N 3.01Å
366A27.5Very low28.9Very low98 Ų98140.8 Ų140.881%0.8175%0.749SS**  trans-60.3124.5177.800000111H368A366-H368 PolarHBondContact O-N 2.79Å; A366-H368 VanDerWaalsContact O-N 3.17Å
367L26.3Very low29.8Very low170 Ų170136.9 Ų136.989%0.8973%0.731SS**  trans-55.4121.1166.1-114134.2000108.9Y365 N369Y365-L367 PolarHBondContact O-N 3.01Å; L367-N369 PolarHBondContact O-N 3.15Å; L367-N369 VanDerWaalsContact O-N 3.08Å
368H25.6Very low30.2Very low165 Ų165136.3 Ų136.376%0.76473%0.732SS**  trans-59.1111.3-173.6-152.1-103.6000110.2A366 S370A366-H368 PolarHBondContact O-N 2.79Å; A366-H368 VanDerWaalsContact O-N 3.17Å; H368-S370 PolarHBondContact O-N 2.89Å
369N30Very low31.1Very low155 Ų155132.8 Ų132.883%0.82973%0.729SS**THydrogen-bonded Turntrans-79.835-170.6-134.9-0.7000113L367L367-N369 PolarHBondContact O-N 3.15Å; L367-N369 VanDerWaalsContact O-N 3.08Å
370S27.6Very low32.2Very low63 Ų63126.5 Ų126.544%0.44170%0.702SS.*THydrogen-bonded Turntrans-119.44-168.5-162.70000115.8H368 Y372H368-S370 PolarHBondContact O-N 2.89Å; S370-Y372 VanDerWaalsContact C-N 3.34Å; S370-Y372 PolarHBondContact O-N 3.17Å
371A31.2Very low33.5Very low85 Ų85124.5 Ų124.570%0.70269%0.685SS**THydrogen-bonded Turntrans-81.8-2.1-177.700000115.4
372Y39.6Very low34.6Very low140 Ų140119.3 Ų119.355%0.54967%0.668SS.*THydrogen-bonded Turntrans-118.332.4-176.4-55-72.1000113.7F170 S370F170-Y372 AromaticContact CE1-CD2 3.99Å; F170-Y372 HydrophobicContact CE1-CD2 3.99Å; F170-Y372 HydrophobicContact CE1-CE2 4.36Å; F170-Y372 HydrophobicContact CE1-CG 4.3Å; F170-Y372 HydrophobicContact CZ-CD2 4.19Å; F170-Y372 HydrophobicContact CZ-CE2 4.26Å; S370-Y372 VanDerWaalsContact C-N 3.34Å; S370-Y372 PolarHBondContact O-N 3.17Å
373K28.2Very low35.8Very low191 Ų191116.5 Ų116.583%0.8365%0.645SS**SBendtrans-91.8107.3169.7-81.7-173.6177.9177.90109.4
374G34.5Very low37.1Very low74 Ų74109.7 Ų109.776%0.76361%0.608SS**  trans106.552.7163.700000115.4Q376G374-Q376 PolarHBondContact O-N 3.38Å
375F31.6Very low38.6Very low97 Ų97109 Ų10943%0.42560%0.596SS.*  trans-72.3108.8160.1-106.5-94.2000108.5V377F375-V377 HydrophobicContact CB-CG2 3.71Å; F375-V377 HydrophobicContact CD1-CG2 4.28Å; F375-V377 HydrophobicContact CG-CG2 4.44Å; F375-V377 PolarHBondContact O-N 2.77Å
376Q37.9Very low40.1Very low175 Ų175100 Ų10082%0.81857%0.571SS**  trans-76.879.3163.8-84.6179.6-10.700108.4G374 L378G374-Q376 PolarHBondContact O-N 3.38Å; Q376-L378 PolarHBondContact O-N 3.04Å
377V43.8Very low41.8Very low68 Ų6895.4 Ų95.441%0.41253%0.533SS..Hα-helixtrans-64.9-20.7-172.7177.10000113.7F375 N381F375-V377 HydrophobicContact CB-CG2 3.71Å; F375-V377 HydrophobicContact CD1-CG2 4.28Å; F375-V377 HydrophobicContact CG-CG2 4.44Å; F375-V377 PolarHBondContact O-N 2.77Å; V377-N381 VanDerWaalsContact CG1-ND2 3.26Å; V377-N381 WeakPolarHBondContact CG1-ND2 3.49Å; V377-N381 WeakPolarHBondContact O-CB 3.43Å; V377-N381 PolarHBondContact O-N 3.42Å; V377-N381 PolarHBondContact O-ND2 2.96Å; V377-N381 PolarHBondContact O-OD1 3.13Å
378L32.8Very low43.6Very low152 Ų15290.5 Ų90.580%0.79650%0.504SS*.Hα-helixtrans-78.9-38.2-164.8-161.767.2000114.1Q376 T382Q376-L378 PolarHBondContact O-N 3.04Å; L378-T382 PolarHBondContact O-OG1 3.43Å
379D44.3Very low45.4Very low131 Ų13187.8 Ų87.870%0.70149%0.491SS*.Hα-helixtrans-82.2-37.4-177.5-164.636.6000111.7N381 T382 A383D379-N381 PolarHBondContact O-N 2.8Å; D379-T382 PolarHBondContact O-N 3.1Å; D379-A383 PolarHBondContact O-N 3.39Å; D379-A383 VanDerWaalsContact O-N 3.09Å
380Q48.5Very low46.8Very low32 Ų3280.8 Ų80.815%0.1546%0.455CS..Hα-helixtrans-71.4-33-178.6-156.8161.622.500112.7T382 A383 V384Q380-T382 VanDerWaalsContact C-N 3.29Å; Q380-T382 PolarHBondContact O-N 3.39Å; Q380-A383 PolarHBondContact O-N 2.91Å; Q380-V384 HydrophobicContact CG-CG2 4.46Å; Q380-V384 VanDerWaalsContact O-CB 3.29Å; Q380-V384 WeakPolarHBondContact O-CB 3.46Å; Q380-V384 WeakPolarHBondContact O-CG2 3.45Å; Q380-V384 PolarHBondContact O-N 3.09Å
381N51Low48.1Very low63 Ų6377.9 Ų77.934%0.33744%0.435SS..Hα-helixtrans-64.2-35173.4-76-6.4000112.3Q164 V377 D379 A385Q164-N381 PolarHBondContact NE2-OD1 2.85Å; V377-N381 VanDerWaalsContact CG1-ND2 3.26Å; V377-N381 WeakPolarHBondContact CG1-ND2 3.49Å; V377-N381 WeakPolarHBondContact O-CB 3.43Å; V377-N381 PolarHBondContact O-N 3.42Å; V377-N381 PolarHBondContact O-ND2 2.96Å; V377-N381 PolarHBondContact O-OD1 3.13Å; D379-N381 PolarHBondContact O-N 2.8Å; N381-A385 VanDerWaalsContact O-CB 3.26Å; N381-A385 WeakPolarHBondContact O-CB 3.49Å; N381-A385 PolarHBondContact O-N 2.87Å
382T55.7Low49.3Very low96 Ų9678.1 Ų78.159%0.58943%0.431SS*.Hα-helixtrans-71.8-44177.2-53.40000110.7L378 D379 Q380 A385 A386L378-T382 PolarHBondContact O-OG1 3.43Å; D379-T382 PolarHBondContact O-N 3.1Å; Q380-T382 VanDerWaalsContact C-N 3.29Å; Q380-T382 PolarHBondContact O-N 3.39Å; T382-A385 PolarHBondContact O-N 2.82Å; T382-A386 WeakPolarHBondContact O-CB 3.21Å; T382-A386 PolarHBondContact O-N 2.84Å
383A50Low50.1Low33 Ų3379 Ų7927%0.27343%0.434SS..Hα-helixtrans-67.2-35.2176.600000112.5T239 D379 Q380 A386 F387T239-A383 HydrophobicContact CG2-CB 3.6Å; D379-A383 PolarHBondContact O-N 3.39Å; D379-A383 VanDerWaalsContact O-N 3.09Å; Q380-A383 PolarHBondContact O-N 2.91Å; A383-A386 PolarHBondContact O-N 3.47Å; A383-F387 WeakPolarHBondContact O-CB 3.42Å; A383-F387 PolarHBondContact O-N 3.48Å
384V55.5Low51.5Low10 Ų1074.8 Ų74.86%0.06141%0.413CS..Hα-helixtrans-71.8-35.5172.8172.40000111.2V160 T239 M243 Q380 A386 F387 K388V160-V384 HydrophobicContact CG1-CG1 4.11Å; T239-V384 HydrophobicContact CG2-CG2 4.33Å; M243-V384 HydrophobicContact SD-CG2 4.45Å; Q380-V384 HydrophobicContact CG-CG2 4.46Å; Q380-V384 VanDerWaalsContact O-CB 3.29Å; Q380-V384 WeakPolarHBondContact O-CB 3.46Å; Q380-V384 WeakPolarHBondContact O-CG2 3.45Å; Q380-V384 PolarHBondContact O-N 3.09Å; V384-A386 VanDerWaalsContact C-N 3.34Å; V384-F387 WeakPolarHBondContact O-CB 3.39Å; V384-F387 PolarHBondContact O-N 2.8Å; V384-K388 WeakPolarHBondContact O-CB 3.32Å; V384-K388 VanDerWaalsContact O-CG 3.26Å; V384-K388 WeakPolarHBondContact O-CG 3.34Å; V384-K388 PolarHBondContact O-N 2.89Å
385A61.7Low52.4Low55 Ų5571.8 Ų71.846%0.45538%0.379SS..Hα-helixtrans-65.7-38.1171.300000111.7N381 T382 K388 H389N381-A385 VanDerWaalsContact O-CB 3.26Å; N381-A385 WeakPolarHBondContact O-CB 3.49Å; N381-A385 PolarHBondContact O-N 2.87Å; T382-A385 PolarHBondContact O-N 2.82Å; A385-K388 PolarHBondContact O-N 2.83Å; A385-H389 VanDerWaalsContact O-CB 3.31Å; A385-H389 WeakPolarHBondContact O-CB 3.42Å; A385-H389 PolarHBondContact O-N 2.83Å
386A59Low52.8Low48 Ų4872.5 Ų72.540%0.39739%0.388SS..Hα-helixtrans-64.3-42.8172.400000111.4T382 A383 V384 H389 A390T382-A386 WeakPolarHBondContact O-CB 3.21Å; T382-A386 PolarHBondContact O-N 2.84Å; A383-A386 PolarHBondContact O-N 3.47Å; V384-A386 VanDerWaalsContact C-N 3.34Å; A386-H389 PolarHBondContact O-N 2.84Å; A386-A390 VanDerWaalsContact O-CB 3.27Å; A386-A390 WeakPolarHBondContact O-CB 3.44Å; A386-A390 PolarHBondContact O-N 2.93Å
387F62.3Low52.9Low1 Ų169 Ų690%0.00437%0.367CS..Hα-helixtrans-58.2-50.7171.8175.2-100.9000111.4V156 E157 F236 L237 P240 A383 V384 H389 A390 V391V156-F387 HydrophobicContact CG1-CZ 4.26Å; E157-F387 HydrophobicContact CB-CE1 4.04Å; E157-F387 HydrophobicContact CG-CE1 4.25Å; F236-F387 HydrophobicContact CB-CD2 3.91Å; F236-F387 HydrophobicContact CB-CE2 4.42Å; F236-F387 WeakPolarHBondContact O-CD2 3.46Å; L237-F387 HydrophobicContact CD2-CE2 4.19Å; P240-F387 HydrophobicContact CG-CB 4.44Å; P240-F387 HydrophobicContact CG-CD1 3.83Å; P240-F387 HydrophobicContact CG-CD2 3.59Å; P240-F387 HydrophobicContact CG-CE1 3.89Å; P240-F387 HydrophobicContact CG-CE2 3.67Å; P240-F387 HydrophobicContact CG-CG 3.68Å; P240-F387 HydrophobicContact CG-CZ 3.8Å; A383-F387 WeakPolarHBondContact O-CB 3.42Å; A383-F387 PolarHBondContact O-N 3.48Å; V384-F387 WeakPolarHBondContact O-CB 3.39Å; V384-F387 PolarHBondContact O-N 2.8Å; F387-H389 VanDerWaalsContact C-N 3.3Å; F387-H389 PolarHBondContact O-N 2.86Å; F387-A390 PolarHBondContact O-N 2.81Å; F387-A390 VanDerWaalsContact O-N 3.13Å; F387-V391 HydrophobicContact CD1-CG2 4.21Å; F387-V391 HydrophobicContact CD2-CG2 3.88Å; F387-V391 HydrophobicContact CE1-CG2 3.84Å; F387-V391 HydrophobicContact CE2-CG2 3.48Å; F387-V391 VanDerWaalsContact CE2-CG2 3.48Å; F387-V391 HydrophobicContact CG-CG2 4.24Å; F387-V391 HydrophobicContact CZ-CG2 3.47Å; F387-V391 VanDerWaalsContact CZ-CG2 3.47Å; F387-V391 WeakPolarHBondContact O-CB 3.46Å; F387-V391 VanDerWaalsContact O-CG2 3.32Å; F387-V391 WeakPolarHBondContact O-CG2 3.47Å; F387-V391 PolarHBondContact O-N 2.99Å
388K64.8Low52.6Low67 Ų6770.8 Ų70.829%0.29138%0.383SS..Hα-helixtrans-57.9-43.2176.9-72.6-176.8174.7-1640111.9E157 T161 V384 A385 S392E157-K388 HydrophobicContact CG-CG 4.44Å; E157-K388 WeakPolarHBondContact OE1-CG 3.41Å; T161-K388 VanDerWaalsContact OG1-CE 3.24Å; T161-K388 WeakPolarHBondContact OG1-CE 3.21Å; T161-K388 PolarHBondContact OG1-NZ 2.64Å; V384-K388 WeakPolarHBondContact O-CB 3.32Å; V384-K388 VanDerWaalsContact O-CG 3.26Å; V384-K388 WeakPolarHBondContact O-CG 3.34Å; V384-K388 PolarHBondContact O-N 2.89Å; A385-K388 PolarHBondContact O-N 2.83Å; K388-S392 WeakPolarHBondContact O-CB 3.38Å; K388-S392 PolarHBondContact O-N 3.39Å; K388-S392 PolarHBondContact O-OG 3.49Å
389H64.4Low53Low107 Ų10766.2 Ų66.250%0.49536%0.359SS..Hα-helixtrans-68.4-35.5177.8179.7-96.6000112.4A385 A386 F387 R393A385-H389 VanDerWaalsContact O-CB 3.31Å; A385-H389 WeakPolarHBondContact O-CB 3.42Å; A385-H389 PolarHBondContact O-N 2.83Å; A386-H389 PolarHBondContact O-N 2.84Å; F387-H389 VanDerWaalsContact C-N 3.3Å; F387-H389 PolarHBondContact O-N 2.86Å; H389-R393 PolarHBondContact CE1-NE 3.35Å; H389-R393 PolarHBondContact CE1-NH2 3.48Å; H389-R393 VanDerWaalsContact CE1-NH2 3.29Å; H389-R393 PolarHBondContact NE2-NH2 3.12Å; H389-R393 WeakPolarHBondContact O-CG 3.5Å; H389-R393 PolarHBondContact O-N 3.2Å
390A58.2Low52.6Low9 Ų965.3 Ų65.37%0.07435%0.354CS..Hα-helixtrans-71.7-43.5175.900000112.5F236 A386 F387 S392 R393F236-A390 HydrophobicContact CD1-CB 4.3Å; F236-A390 HydrophobicContact CD2-CB 3.43Å; F236-A390 VanDerWaalsContact CD2-CB 3.43Å; F236-A390 HydrophobicContact CE1-CB 4.23Å; F236-A390 HydrophobicContact CE2-CB 3.34Å; F236-A390 HydrophobicContact CG-CB 3.94Å; F236-A390 HydrophobicContact CZ-CB 3.78Å; A386-A390 VanDerWaalsContact O-CB 3.27Å; A386-A390 WeakPolarHBondContact O-CB 3.44Å; A386-A390 PolarHBondContact O-N 2.93Å; F387-A390 PolarHBondContact O-N 2.81Å; F387-A390 VanDerWaalsContact O-N 3.13Å; A390-S392 VanDerWaalsContact C-N 3.32Å; A390-R393 CarbonylContact O-C 3.5Å; A390-R393 PolarHBondContact O-N 3.08Å; A390-R393 VanDerWaalsContact O-N 3.12Å
391V54.9Low52Low2 Ų265.2 Ų65.21%0.01236%0.358CS..Hα-helixtrans-70.3-29.3174.5177.30000111.4L153 F387 R393 R394L153-V391 HydrophobicContact CB-CG1 4.2Å; F387-V391 HydrophobicContact CD1-CG2 4.21Å; F387-V391 HydrophobicContact CD2-CG2 3.88Å; F387-V391 HydrophobicContact CE1-CG2 3.84Å; F387-V391 HydrophobicContact CE2-CG2 3.48Å; F387-V391 VanDerWaalsContact CE2-CG2 3.48Å; F387-V391 HydrophobicContact CG-CG2 4.24Å; F387-V391 HydrophobicContact CZ-CG2 3.47Å; F387-V391 VanDerWaalsContact CZ-CG2 3.47Å; F387-V391 WeakPolarHBondContact O-CB 3.46Å; F387-V391 VanDerWaalsContact O-CG2 3.32Å; F387-V391 WeakPolarHBondContact O-CG2 3.47Å; F387-V391 PolarHBondContact O-N 2.99Å; V391-R393 PolarHBondContact O-N 3.12Å; V391-R394 WeakPolarHBondContact O-CG 3.31Å; V391-R394 PolarHBondContact O-N 3.43Å
392S57.7Low51.4Low90 Ų9067.5 Ų67.563%0.62937%0.367SS*.Hα-helixtrans-64.6-22.5170.5-64.80000112.6K388 A390K388-S392 WeakPolarHBondContact O-CB 3.38Å; K388-S392 PolarHBondContact O-N 3.39Å; K388-S392 PolarHBondContact O-OG 3.49Å; A390-S392 VanDerWaalsContact C-N 3.32Å
393R54.6Low50.5Low157 Ų15768 Ų6859%0.59237%0.365SS*.THydrogen-bonded Turntrans-99.544.9176.3-66.4-178.3178.1-159.9-2.1111.4P228 H389 A390 V391P228-R393 VanDerWaalsContact CD-O 3.25Å; P228-R393 WeakPolarHBondContact CD-O 3.37Å; H389-R393 PolarHBondContact CE1-NE 3.35Å; H389-R393 PolarHBondContact CE1-NH2 3.48Å; H389-R393 VanDerWaalsContact CE1-NH2 3.29Å; H389-R393 PolarHBondContact NE2-NH2 3.12Å; H389-R393 WeakPolarHBondContact O-CG 3.5Å; H389-R393 PolarHBondContact O-N 3.2Å; A390-R393 CarbonylContact O-C 3.5Å; A390-R393 PolarHBondContact O-N 3.08Å; A390-R393 VanDerWaalsContact O-N 3.12Å; V391-R393 PolarHBondContact O-N 3.12Å
394R59Low50Low104 Ų10473 Ų7339%0.39238%0.377SS..  trans-41.4157.1-174.3-60.4-173.8-169.5-170.53.4113.5D154 V391 D396D154-R394 IonicContact OD1-CZ 2.98Å; D154-R394 IonicContact OD1-NE 2.75Å; D154-R394 PolarHBondContact OD1-NE 3.36Å; D154-R394 IonicContact OD1-NH1 3.27Å; D154-R394 PolarHBondContact OD1-NH1 2.8Å; D154-R394 VanDerWaalsContact OD1-NH1 3.12Å; D154-R394 IonicContact OD1-NH2 2.74Å; D154-R394 PolarHBondContact OD1-NH2 2.92Å; D154-R394 IonicContact OD2-CZ 3.33Å; D154-R394 IonicContact OD2-NH1 3.54Å; D154-R394 PolarHBondContact OD2-NH1 2.77Å; D154-R394 IonicContact OD2-NH2 3.98Å; D154-R394 PolarHBondContact OD2-NH2 3.33Å; V391-R394 WeakPolarHBondContact O-CG 3.31Å; V391-R394 PolarHBondContact O-N 3.43Å; R394-D396 VanDerWaalsContact C-N 3.27Å; R394-D396 PolarHBondContact O-N 2.77Å
395V53Low49.3Very low10 Ų1078 Ų786%0.06140%0.403CS..  trans-55.189.8177.7-179.90000109.8V146 I225 L233 R397V146-V395 HydrophobicContact CG1-CB 4.3Å; V146-V395 HydrophobicContact CG1-CG1 4.04Å; I225-V395 HydrophobicContact CB-CG1 3.68Å; I225-V395 HydrophobicContact CB-CG2 4.32Å; I225-V395 HydrophobicContact CD1-CG2 4.34Å; I225-V395 HydrophobicContact CG2-CG1 3.39Å; I225-V395 HydrophobicContact CG2-CG2 4.44Å; L233-V395 HydrophobicContact CD1-CG2 3.81Å; V395-R397 PolarHBondContact O-N 3.18Å; V395-R397 VanDerWaalsContact O-N 3.16Å
396D40.6Very low48.3Very low113 Ų11382.9 Ų82.960%0.60442%0.421SS*.  trans-87.484.9179.6-170-4.1000107.3R394 S398R394-D396 VanDerWaalsContact C-N 3.27Å; R394-D396 PolarHBondContact O-N 2.77Å; D396-S398 PolarHBondContact O-N 3.34Å
397R39.6Very low47.8Very low101 Ų10188 Ų8838%0.38144%0.437SS..  trans-87.882.7173.1-156.7-178.8-162.6-137-2.4108H224 V395 L399H224-R397 PolarHBondContact CD2-NH2 3.09Å; H224-R397 PolarHBondContact O-NE 3.19Å; V395-R397 PolarHBondContact O-N 3.18Å; V395-R397 VanDerWaalsContact O-N 3.16Å; R397-L399 WeakPolarHBondContact O-CB 3.39Å; R397-L399 PolarHBondContact O-N 2.93Å
398S37.9Very low47.8Very low106 Ų10692.8 Ų92.874%0.74146%0.462SS*.SBendtrans36.342.5153.4-173.30000116.5D396D396-S398 PolarHBondContact O-N 3.34Å
399L40.3Very low48.6Very low56 Ų5692.2 Ų92.229%0.29346%0.462SS..  trans-141.95.4179.3-153.677.5000112.8R397 A401 Q402 I403R397-L399 WeakPolarHBondContact O-CB 3.39Å; R397-L399 PolarHBondContact O-N 2.93Å; L399-A401 PolarHBondContact O-N 2.84Å; L399-A401 VanDerWaalsContact O-N 3.16Å; L399-Q402 HydrophobicContact CD1-CB 3.33Å; L399-Q402 HydrophobicContact CD1-CG 4.08Å; L399-Q402 HydrophobicContact CG-CB 3.67Å; L399-Q402 PolarHBondContact O-N 3.26Å; L399-I403 HydrophobicContact CD2-CD1 4.08Å; L399-I403 HydrophobicContact CD2-CG1 4.01Å; L399-I403 HydrophobicContact CG-CG1 4.23Å; L399-I403 PolarHBondContact O-N 3.39Å; L399-I403 VanDerWaalsContact O-N 3.07Å
400D35.1Very low49.6Very low112 Ų11290.8 Ų90.860%0.59946%0.455SS*.THydrogen-bonded Turntrans-60.5-20157.6-113.7-35.1000111.1Q402D400-Q402 VanDerWaalsContact C-N 3.35Å
401A37.3Very low51Low29 Ų2990.4 Ų90.424%0.2445%0.451CS..THydrogen-bonded Turntrans-60.3-32.5166.800000115.1L399 R439L399-A401 PolarHBondContact O-N 2.84Å; L399-A401 VanDerWaalsContact O-N 3.16Å; A401-R439 VanDerWaalsContact C-NH2 3.3Å; A401-R439 PolarHBondContact O-NH2 3.37Å
402Q37.4Very low52.8Low112 Ų11293.8 Ų93.852%0.52347%0.466SS..THydrogen-bonded Turntrans-119.1-25.2-165.3-138.679.2100113.3L399 D400 R404 L405L399-Q402 HydrophobicContact CD1-CB 3.33Å; L399-Q402 HydrophobicContact CD1-CG 4.08Å; L399-Q402 HydrophobicContact CG-CB 3.67Å; L399-Q402 PolarHBondContact O-N 3.26Å; D400-Q402 VanDerWaalsContact C-N 3.35Å; Q402-R404 VanDerWaalsContact C-N 3.25Å; Q402-R404 PolarHBondContact O-N 3.13Å; Q402-L405 WeakPolarHBondContact O-CB 3.11Å; Q402-L405 PolarHBondContact O-N 3.18Å
403I38.3Very low54.3Low107 Ų10789.6 Ų89.655%0.54944%0.436SS..G310 helixtrans-75-15.7178.1-63.3174.6000112L399 L405L399-I403 HydrophobicContact CD2-CD1 4.08Å; L399-I403 HydrophobicContact CD2-CG1 4.01Å; L399-I403 HydrophobicContact CG-CG1 4.23Å; L399-I403 PolarHBondContact O-N 3.39Å; L399-I403 VanDerWaalsContact O-N 3.07Å; I403-L405 PolarHBondContact O-N 3.35Å
404R38.5Very low55.9Low136 Ų13685.7 Ų85.751%0.51342%0.424SS..G310 helixtrans-69.1-6.4168.7-74.6-167.7174.8-166.6-0.1114.4Q402 D406 D438Q402-R404 VanDerWaalsContact C-N 3.25Å; Q402-R404 PolarHBondContact O-N 3.13Å; R404-D406 VanDerWaalsContact C-N 3.34Å; R404-D438 IonicContact CZ-OD2 2.58Å; R404-D438 IonicContact NH1-OD1 3.75Å; R404-D438 IonicContact NH1-OD2 3.48Å; R404-D438 PolarHBondContact NH1-OD2 3.23Å
405L41.1Very low57.3Low116 Ų11687.5 Ų87.561%0.60743%0.432SS*.G310 helixtrans-78.4-15.8-178.8-136.280000113.8Q402 I403Q402-L405 WeakPolarHBondContact O-CB 3.11Å; Q402-L405 PolarHBondContact O-N 3.18Å; I403-L405 PolarHBondContact O-N 3.35Å
406D41.3Very low58.9Low158 Ų15892.3 Ų92.385%0.84546%0.457SS*.G310 helixtrans-102.46.1179.5-80.4-16.3000114.1R404R404-D406 VanDerWaalsContact C-N 3.34Å
407Q47.8Very low61.3Low154 Ų15488.3 Ų88.372%0.7244%0.435SS*.SBendtrans-118.9101.2162-69.4-178.31.800107.2L409Q407-L409 VanDerWaalsContact C-N 3.32Å; Q407-L409 PolarHBondContact O-N 3.17Å
408N63.1Low63.7Low102 Ų10288.8 Ų88.855%0.54545%0.448SS..  trans-54.598.2174.7-71.611.8000109.2F410N408-F410 HydrophobicContact CB-CD2 4.39Å; N408-F410 HydrophobicContact CB-CE2 3.57Å; N408-F410 HydrophobicContact CB-CZ 3.8Å; N408-F410 WeakPolarHBondContact O-CD2 3.38Å; N408-F410 VanDerWaalsContact O-CE2 3.31Å; N408-F410 WeakPolarHBondContact O-CE2 3.2Å
409L79.9Confident66.1Low56 Ų5685.1 Ų85.129%0.29343%0.425SS..  trans-82.7120.5-178.4-158.881.7000107Q407 V435 L462Q407-L409 VanDerWaalsContact C-N 3.32Å; Q407-L409 PolarHBondContact O-N 3.17Å; L409-V435 HydrophobicContact CB-CB 4.32Å; L409-V435 HydrophobicContact CD2-CB 4.35Å; L409-V435 HydrophobicContact CD2-CG1 4.45Å; L409-V435 WeakPolarHBondContact O-CB 3.47Å; L409-V435 PolarHBondContact O-N 3.3Å; L409-L462 HydrophobicContact CD2-CD2 3.61Å; L409-L462 HydrophobicContact CG-CD2 4.05Å
410F86.8Confident68Low77 Ų7792.7 Ų92.734%0.33845%0.449SS..EExtended strand (participates in β ladder)trans-104.5140.1-179.4-66.5-80.1000110.6N408 L432 L433 E434 T463N408-F410 HydrophobicContact CB-CD2 4.39Å; N408-F410 HydrophobicContact CB-CE2 3.57Å; N408-F410 HydrophobicContact CB-CZ 3.8Å; N408-F410 WeakPolarHBondContact O-CD2 3.38Å; N408-F410 VanDerWaalsContact O-CE2 3.31Å; N408-F410 WeakPolarHBondContact O-CE2 3.2Å; F410-L432 HydrophobicContact CB-CD2 4.09Å; F410-L432 HydrophobicContact CB-CG 4.26Å; F410-L432 HydrophobicContact CD1-CD2 3.33Å; F410-L432 HydrophobicContact CD1-CG 4.28Å; F410-L432 HydrophobicContact CE1-CD2 3.92Å; F410-L432 HydrophobicContact CG-CD2 3.84Å; F410-L433 CarbonylContact C-O 3.56Å; F410-L433 WeakPolarHBondContact CA-O 3.46Å; F410-E434 HydrophobicContact CD1-CB 4.37Å; F410-E434 HydrophobicContact CE1-CB 4.17Å; F410-T463 PolarHBondContact O-N 2.96Å
411A87.9Confident70.4Confident0 Ų090.6 Ų90.60%044%0.438CS..EExtended strand (participates in β ladder)trans-122.8138.6171.800000109.9L433 V435 W443 L460 E461 L462A411-L433 PolarHBondContact N-O 3.27Å; A411-L433 WeakPolarHBondContact O-CB 3.4Å; A411-L433 PolarHBondContact O-N 2.7Å; A411-V435 HydrophobicContact CB-CG2 3.45Å; A411-V435 VanDerWaalsContact CB-CG2 3.45Å; A411-W443 HydrophobicContact CB-CZ3 4.46Å; A411-L460 HydrophobicContact CB-CB 4.29Å; A411-E461 CarbonylContact C-O 3.37Å; A411-E461 VanDerWaalsContact CA-O 3.24Å; A411-E461 WeakPolarHBondContact CA-O 3.05Å; A411-L462 HydrophobicContact CB-CD2 4.36Å
412K90.9Very high72.6Confident74 Ų7497.5 Ų97.532%0.32247%0.471SS..EExtended strand (participates in β ladder)trans-99.1130.6175.2-172.3178177.1-163.80109.8D430 E431 E461 T463K412-D430 VanDerWaalsContact CE-CA 3.45Å; K412-D430 VanDerWaalsContact CE-CB 3.43Å; K412-D430 WeakPolarHBondContact CE-OD1 3.47Å; K412-D430 IonicContact NZ-OD1 3.89Å; K412-D430 PolarHBondContact NZ-OD1 3.24Å; K412-E431 WeakPolarHBondContact CA-O 3.32Å; K412-E461 PolarHBondContact N-O 3.45Å; K412-E461 PolarHBondContact O-N 3.41Å; K412-T463 WeakPolarHBondContact CB-OG1 3.45Å
413S90.5Very high74.9Confident1 Ų196.3 Ų96.31%0.00747%0.471CS..EExtended strand (participates in β ladder)trans-73.5132.2176.3-171.30000111.5Y415 L428 D430 E431 I459S413-Y415 PolarHBondContact OG-O 3.43Å; S413-L428 VanDerWaalsContact CB-O 3.24Å; S413-L428 WeakPolarHBondContact CB-O 3.43Å; S413-D430 WeakPolarHBondContact O-CA 3.49Å; S413-D430 PolarHBondContact O-N 3.18Å; S413-E431 PolarHBondContact N-O 2.8Å; S413-I459 CarbonylContact C-O 3.49Å; S413-I459 WeakPolarHBondContact CA-O 3.35Å
414K88.6Confident77.4Confident76 Ų7692.6 Ų92.633%0.3345%0.452SS..SBendtrans-82.7-23176.9-64.7-170.9179.4-1620113K429 I459 E461K414-K429 WeakPolarHBondContact O-CD 3.37Å; K414-K429 WeakPolarHBondContact O-CG 3.37Å; K414-I459 PolarHBondContact N-O 2.83Å; K414-E461 VanDerWaalsContact CE-CB 3.42Å; K414-E461 VanDerWaalsContact CE-OE1 3.32Å; K414-E461 WeakPolarHBondContact CE-OE1 3.18Å; K414-E461 VanDerWaalsContact CE-OE2 3.23Å; K414-E461 WeakPolarHBondContact CE-OE2 3.24Å; K414-E461 HydrophobicContact CG-CB 4.31Å; K414-E461 VanDerWaalsContact NZ-CD 3.31Å; K414-E461 IonicContact NZ-OE1 2.96Å; K414-E461 PolarHBondContact NZ-OE1 3.22Å; K414-E461 IonicContact NZ-OE2 2.71Å
415Y86.9Confident79.9Confident141 Ų14186.8 Ų86.855%0.55343%0.431SS*.SBendtrans-146.5160.7-172.3-56.3-76.8000111.5S413 I459S413-Y415 PolarHBondContact OG-O 3.43Å; Y415-I459 HydrophobicContact CD2-CB 4.08Å; Y415-I459 HydrophobicContact CD2-CG2 3.82Å
416D87.2Confident82.2Confident112 Ų11284.1 Ų84.160%0.59942%0.422SS*.  trans-70.2138169.7-57.2-31.8000109.9K429D416-K429 VanDerWaalsContact OD1-CB 3.32Å; D416-K429 WeakPolarHBondContact OD1-CB 3.36Å; D416-K429 PolarHBondContact OD1-N 3.17Å
417F90.4Very high84.6Confident29 Ų2976.8 Ų76.813%0.12738%0.383CS..BIsolated β-bridgetrans-138.2130.4176176.3-97.9000110E424 L425 S426 V427 W442 V455 P456 I459F417-E424 HydrophobicContact CE1-CB 4.32Å; F417-L425 VanDerWaalsContact CD1-O 3.22Å; F417-L425 WeakPolarHBondContact CD1-O 3.28Å; F417-L425 WeakPolarHBondContact CE1-O 3.26Å; F417-S426 CarbonylContact O-C 3.52Å; F417-S426 VanDerWaalsContact O-CA 3.22Å; F417-S426 WeakPolarHBondContact O-CA 3.26Å; F417-V427 HydrophobicContact CB-CG2 3.81Å; F417-V427 HydrophobicContact CD1-CG2 4.48Å; F417-V427 PolarHBondContact N-O 2.79Å; F417-V427 PolarHBondContact O-N 3.42Å; F417-V427 VanDerWaalsContact O-O 3.12Å; F417-W442 HydrophobicContact CE1-CZ3 4.4Å; F417-W442 HydrophobicContact CE2-CH2 4.42Å; F417-W442 AromaticContact CZ-CH2 3.94Å; F417-W442 HydrophobicContact CZ-CH2 3.94Å; F417-W442 AromaticContact CZ-CZ3 3.73Å; F417-W442 HydrophobicContact CZ-CZ3 3.73Å; F417-V455 HydrophobicContact CD1-CG1 4.38Å; F417-P456 HydrophobicContact CD2-CG 4.22Å; F417-P456 HydrophobicContact CE2-CG 3.98Å; F417-P456 HydrophobicContact CZ-CG 4.44Å; F417-I459 HydrophobicContact CB-CD1 3.43Å; F417-I459 VanDerWaalsContact CB-CD1 3.43Å; F417-I459 HydrophobicContact CD2-CD1 4.01Å; F417-I459 HydrophobicContact CG-CD1 3.78Å
418V89.9Confident86.6Confident111 Ų11175 Ų7567%0.67338%0.377SS*.  trans-110.6121.5-179.9-178.20000108.2
419A88Confident87.7Confident29 Ų2975.6 Ų75.624%0.2438%0.375CS..  trans-57.7134.3177.700000111.6E424 S426A419-E424 HydrophobicContact CB-CB 3.66Å; A419-E424 VanDerWaalsContact CB-O 3.22Å; A419-E424 WeakPolarHBondContact CB-O 3.46Å; A419-S426 WeakPolarHBondContact CB-OG 3.43Å; A419-S426 PolarHBondContact N-OG 3Å
420R81.8Confident88.1Confident214 Ų21477.2 Ų77.281%0.80838%0.384SS*.SBendtrans-98.2-11.7-179.7-60.1177.9179.5179.20.1113.3E424R420-E424 WeakPolarHBondContact CB-OE2 3.26Å; R420-E424 PolarHBondContact N-OE2 3.4Å
421N85Confident88.2Confident68 Ų6876 Ų7636%0.36438%0.38SS..SBendtrans-152.3173.9179.361.155.7000109.9T423 E424N421-T423 PolarHBondContact O-N 2.93Å; N421-T423 VanDerWaalsContact O-N 3.12Å; N421-T423 WeakPolarHBondContact OD1-CA 3.42Å; N421-T423 WeakPolarHBondContact OD1-CB 3.32Å; N421-T423 PolarHBondContact OD1-N 2.98Å; N421-T423 PolarHBondContact OD1-OG1 2.84Å; N421-E424 PolarHBondContact ND2-OE1 3.37Å; N421-E424 PolarHBondContact O-N 3.25Å; N421-E424 WeakPolarHBondContact OD1-CG 3.4Å; N421-E424 PolarHBondContact OD1-N 3.17Å
422N82.8Confident88.3Confident175 Ų17580.4 Ų80.494%0.93640%0.402SS*.THydrogen-bonded Turntrans-73.2-1.4-176.1-59-2.5000114.3
423T85.6Confident88.2Confident86 Ų8676.9 Ų76.953%0.52839%0.387SS..THydrogen-bonded Turntrans-100.8-18.3176.869.50000112.1N421 G453 Y454N421-T423 PolarHBondContact O-N 2.93Å; N421-T423 VanDerWaalsContact O-N 3.12Å; N421-T423 WeakPolarHBondContact OD1-CA 3.42Å; N421-T423 WeakPolarHBondContact OD1-CB 3.32Å; N421-T423 PolarHBondContact OD1-N 2.98Å; N421-T423 PolarHBondContact OD1-OG1 2.84Å; T423-G453 CarbonylContact O-C 3.59Å; T423-G453 WeakPolarHBondContact O-CA 3.39Å; T423-Y454 VanDerWaalsContact O-CD2 3.25Å; T423-Y454 WeakPolarHBondContact O-CD2 3.04Å; T423-Y454 PolarHBondContact O-N 3.42Å
424E90.9Very high88.2Confident30 Ų3079 Ų7914%0.1440%0.397CS..BIsolated β-bridgetrans-89.4150.2177.9-67.4174-160.200111F417 A419 R420 N421 W442 Y454F417-E424 HydrophobicContact CE1-CB 4.32Å; A419-E424 HydrophobicContact CB-CB 3.66Å; A419-E424 VanDerWaalsContact CB-O 3.22Å; A419-E424 WeakPolarHBondContact CB-O 3.46Å; R420-E424 WeakPolarHBondContact CB-OE2 3.26Å; R420-E424 PolarHBondContact N-OE2 3.4Å; N421-E424 PolarHBondContact ND2-OE1 3.37Å; N421-E424 PolarHBondContact O-N 3.25Å; N421-E424 WeakPolarHBondContact OD1-CG 3.4Å; N421-E424 PolarHBondContact OD1-N 3.17Å; E424-W442 HydrophobicContact CG-CE3 4.36Å; E424-W442 HydrophobicContact CG-CH2 4.24Å; E424-W442 HydrophobicContact CG-CZ3 3.6Å; E424-Y454 WeakPolarHBondContact CA-O 3.49Å
425L90.9Very high88.2Confident13 Ų1376.2 Ų76.27%0.06839%0.386CS..  trans-107.4128.1176.6-172.967.9000110.1F417 V427 L433 V445 N447 A451 Y454 V455F417-L425 VanDerWaalsContact CD1-O 3.22Å; F417-L425 WeakPolarHBondContact CD1-O 3.28Å; F417-L425 WeakPolarHBondContact CE1-O 3.26Å; L425-V427 HydrophobicContact CD2-CG1 4.02Å; L425-V427 HydrophobicContact CG-CG1 4.06Å; L425-L433 HydrophobicContact CD2-CD2 4.45Å; L425-V445 HydrophobicContact CD2-CG2 3.83Å; L425-N447 HydrophobicContact CD2-CB 4.14Å; L425-A451 HydrophobicContact CD1-CB 3.86Å; L425-Y454 PolarHBondContact N-O 3.4Å; L425-Y454 VanDerWaalsContact N-O 3.09Å; L425-V455 HydrophobicContact CB-CG2 3.9Å; L425-V455 WeakPolarHBondContact O-CG2 3.37Å
426S90Very high88.1Confident61 Ų6171.8 Ų71.843%0.42737%0.372SS..  trans-74.6129.4170.3-62.20000109.7F417 A419F417-S426 CarbonylContact O-C 3.52Å; F417-S426 VanDerWaalsContact O-CA 3.22Å; F417-S426 WeakPolarHBondContact O-CA 3.26Å; A419-S426 WeakPolarHBondContact CB-OG 3.43Å; A419-S426 PolarHBondContact N-OG 3Å
427V91.1Very high87.8Confident4 Ų468.4 Ų68.42%0.02435%0.354CS..BIsolated β-bridgetrans-134.5145.5-178.7-59.60000110.6F417 L425 E431 L433 V455F417-V427 HydrophobicContact CB-CG2 3.81Å; F417-V427 HydrophobicContact CD1-CG2 4.48Å; F417-V427 PolarHBondContact N-O 2.79Å; F417-V427 PolarHBondContact O-N 3.42Å; F417-V427 VanDerWaalsContact O-O 3.12Å; L425-V427 HydrophobicContact CD2-CG1 4.02Å; L425-V427 HydrophobicContact CG-CG1 4.06Å; V427-E431 WeakPolarHBondContact CA-OE2 3.32Å; V427-L433 HydrophobicContact CB-CD1 4.12Å; V427-L433 HydrophobicContact CG1-CD1 3.7Å; V427-L433 HydrophobicContact CG1-CD2 3.72Å; V427-L433 HydrophobicContact CG1-CG 4.35Å; V427-L433 HydrophobicContact CG2-CD1 4.43Å; V427-V455 HydrophobicContact CG1-CG2 3.9Å; V427-V455 HydrophobicContact CG2-CG1 3.98Å; V427-V455 HydrophobicContact CG2-CG2 4.33Å
428L89.3Confident87.5Confident115 Ų11569.1 Ų69.160%0.60236%0.359SS*.  trans-93.8154.9175.2-65.5173.8000110.8S413 D430 E431S413-L428 VanDerWaalsContact CB-O 3.24Å; S413-L428 WeakPolarHBondContact CB-O 3.43Å; L428-D430 PolarHBondContact O-N 3.1Å; L428-E431 HydrophobicContact CB-CB 4.41Å; L428-E431 PolarHBondContact N-OE2 2.82Å; L428-E431 WeakPolarHBondContact O-CB 3.31Å; L428-E431 PolarHBondContact O-N 2.94Å; L428-E431 VanDerWaalsContact O-N 3.09Å
429K88Confident86.6Confident116 Ų11671.5 Ų71.550%0.50436%0.356SS..THydrogen-bonded Turntrans-56.3138.3170.1178.1175.3177-168.80109.7K414 D416 E431K414-K429 WeakPolarHBondContact O-CD 3.37Å; K414-K429 WeakPolarHBondContact O-CG 3.37Å; D416-K429 VanDerWaalsContact OD1-CB 3.32Å; D416-K429 WeakPolarHBondContact OD1-CB 3.36Å; D416-K429 PolarHBondContact OD1-N 3.17Å; K429-E431 PolarHBondContact O-N 3.41Å
430D87.5Confident86.2Confident90 Ų9076.6 Ų76.648%0.48137%0.373SS..THydrogen-bonded Turntrans66.36.7-176.1-59.5-63.6000115.2K412 S413 L428K412-D430 VanDerWaalsContact CE-CA 3.45Å; K412-D430 VanDerWaalsContact CE-CB 3.43Å; K412-D430 WeakPolarHBondContact CE-OD1 3.47Å; K412-D430 IonicContact NZ-OD1 3.89Å; K412-D430 PolarHBondContact NZ-OD1 3.24Å; S413-D430 WeakPolarHBondContact O-CA 3.49Å; S413-D430 PolarHBondContact O-N 3.18Å; L428-D430 PolarHBondContact O-N 3.1Å
431E89.5Confident86.3Confident51 Ų5173 Ų7324%0.23837%0.365CS..  trans-68.7135.9173.9-169.4172.2178.900111.1K412 S413 V427 L428 K429 L433K412-E431 WeakPolarHBondContact CA-O 3.32Å; S413-E431 PolarHBondContact N-O 2.8Å; V427-E431 WeakPolarHBondContact CA-OE2 3.32Å; L428-E431 HydrophobicContact CB-CB 4.41Å; L428-E431 PolarHBondContact N-OE2 2.82Å; L428-E431 WeakPolarHBondContact O-CB 3.31Å; L428-E431 PolarHBondContact O-N 2.94Å; L428-E431 VanDerWaalsContact O-N 3.09Å; K429-E431 PolarHBondContact O-N 3.41Å; E431-L433 HydrophobicContact CG-CD2 4.11Å
432L89.3Confident86.4Confident92 Ų9274.5 Ų74.548%0.48237%0.366SS..EExtended strand (participates in β ladder)trans-95.5124.5-179.9-166.3128.1000109.8F410F410-L432 HydrophobicContact CB-CD2 4.09Å; F410-L432 HydrophobicContact CB-CG 4.26Å; F410-L432 HydrophobicContact CD1-CD2 3.33Å; F410-L432 HydrophobicContact CD1-CG 4.28Å; F410-L432 HydrophobicContact CE1-CD2 3.92Å; F410-L432 HydrophobicContact CG-CD2 3.84Å
433L89.4Confident86.8Confident0 Ų067.6 Ų67.60%033%0.327CS..EExtended strand (participates in β ladder)trans-125.5135.8-168.5-58.1163.8000109.1F410 A411 L425 V427 E431 V445 N447 L460F410-L433 CarbonylContact C-O 3.56Å; F410-L433 WeakPolarHBondContact CA-O 3.46Å; A411-L433 PolarHBondContact N-O 3.27Å; A411-L433 WeakPolarHBondContact O-CB 3.4Å; A411-L433 PolarHBondContact O-N 2.7Å; L425-L433 HydrophobicContact CD2-CD2 4.45Å; V427-L433 HydrophobicContact CB-CD1 4.12Å; V427-L433 HydrophobicContact CG1-CD1 3.7Å; V427-L433 HydrophobicContact CG1-CD2 3.72Å; V427-L433 HydrophobicContact CG1-CG 4.35Å; V427-L433 HydrophobicContact CG2-CD1 4.43Å; E431-L433 HydrophobicContact CG-CD2 4.11Å; L433-V445 HydrophobicContact CB-CB 4.12Å; L433-V445 HydrophobicContact CB-CG1 4.44Å; L433-V445 HydrophobicContact CD1-CG2 4.32Å; L433-N447 HydrophobicContact CD2-CB 3.83Å; L433-L460 HydrophobicContact CD1-CD2 3.59Å
434E90.1Very high87.1Confident46 Ų4667.3 Ų67.322%0.21532%0.318CS..EExtended strand (participates in β ladder)trans-79.3124.4172-176.2-167.9172.800108.7F410 L436 V445 R446F410-E434 HydrophobicContact CD1-CB 4.37Å; F410-E434 HydrophobicContact CE1-CB 4.17Å; E434-L436 HydrophobicContact CG-CD2 4.17Å; E434-V445 CarbonylContact O-C 3.55Å; E434-V445 WeakPolarHBondContact O-CA 3.31Å; E434-R446 HydrophobicContact CB-CB 4.28Å; E434-R446 PolarHBondContact N-O 3.25Å; E434-R446 PolarHBondContact O-N 3.16Å; E434-R446 IonicContact OE1-NH1 3.44Å; E434-R446 PolarHBondContact OE1-NH1 3.36Å; E434-R446 VanDerWaalsContact OE1-NH1 3.08Å; E434-R446 WeakPolarHBondContact OE2-CD 3.24Å; E434-R446 IonicContact OE2-CZ 3.1Å; E434-R446 IonicContact OE2-NH1 2.91Å; E434-R446 PolarHBondContact OE2-NH1 3.49Å
435V88.8Confident87Confident17 Ų1765.9 Ų65.910%0.10331%0.312CS..EExtended strand (participates in β ladder)trans-86.1115.6-179.7-176.60000109.2L409 A411 D438 W443 V445 L462L409-V435 HydrophobicContact CB-CB 4.32Å; L409-V435 HydrophobicContact CD2-CB 4.35Å; L409-V435 HydrophobicContact CD2-CG1 4.45Å; L409-V435 WeakPolarHBondContact O-CB 3.47Å; L409-V435 PolarHBondContact O-N 3.3Å; A411-V435 HydrophobicContact CB-CG2 3.45Å; A411-V435 VanDerWaalsContact CB-CG2 3.45Å; V435-D438 HydrophobicContact CG1-CB 3.96Å; V435-W443 HydrophobicContact CG1-CE3 4.26Å; V435-W443 HydrophobicContact CG2-CE3 4.33Å; V435-V445 HydrophobicContact CG2-CG1 4.37Å; V435-L462 HydrophobicContact CG2-CD2 4.25Å
436L84.1Confident87Confident49 Ų4969.5 Ų69.526%0.25732%0.324SS..EExtended strand (participates in β ladder)trans-96.4-30.7179.6-55.3-179.6000112.7E434 K444 R446 A452E434-L436 HydrophobicContact CG-CD2 4.17Å; L436-K444 WeakPolarHBondContact CA-O 3.39Å; L436-K444 HydrophobicContact CB-CB 4.41Å; L436-K444 HydrophobicContact CB-CG 4.46Å; L436-K444 WeakPolarHBondContact CB-O 3.41Å; L436-K444 PolarHBondContact N-O 3.38Å; L436-R446 HydrophobicContact CD1-CB 4.04Å; L436-R446 HydrophobicContact CG-CB 4.31Å; L436-A452 HydrophobicContact CD1-CB 4.1Å
437D80.7Confident86.8Confident40 Ų4067.9 Ų67.921%0.21431%0.311CS..EExtended strand (participates in β ladder)trans-154.7117.3177.6-177.1-1.1000110.2R439 W443 K444D437-R439 VanDerWaalsContact OD1-CB 3.31Å; D437-R439 WeakPolarHBondContact OD1-CB 3.43Å; D437-R439 VanDerWaalsContact OD1-CG 3.25Å; D437-R439 WeakPolarHBondContact OD1-CG 3.39Å; D437-R439 PolarHBondContact OD1-N 2.94Å; D437-W443 CarbonylContact O-C 3.43Å; D437-W443 WeakPolarHBondContact O-CA 3.32Å; D437-K444 HydrophobicContact CB-CB 3.81Å; D437-K444 PolarHBondContact N-O 3Å; D437-K444 VanDerWaalsContact N-O 3.12Å; D437-K444 PolarHBondContact O-N 3.21Å
438D84.9Confident86.3Confident45 Ų4571.7 Ų71.724%0.24135%0.35CS..  trans-107.56.4179.369.6-29.7000114R404 V435 K440 W443R404-D438 IonicContact CZ-OD2 2.58Å; R404-D438 IonicContact NH1-OD1 3.75Å; R404-D438 IonicContact NH1-OD2 3.48Å; R404-D438 PolarHBondContact NH1-OD2 3.23Å; V435-D438 HydrophobicContact CG1-CB 3.96Å; D438-K440 VanDerWaalsContact C-N 3.28Å; D438-K440 PolarHBondContact O-N 3.42Å; D438-W443 HydrophobicContact CB-CD2 3.89Å; D438-W443 HydrophobicContact CB-CE3 4.39Å; D438-W443 HydrophobicContact CB-CG 4.2Å; D438-W443 HydrophobicContact CB-CH2 4.5Å; D438-W443 HydrophobicContact CB-CZ2 3.98Å; D438-W443 PolarHBondContact O-NE1 3Å
439R70.7Confident85.8Confident160 Ų16070.5 Ų70.560%0.60436%0.358SS*.SBendtrans-72.7-17.5-168.8-60.4179.7-162.8174.619.4114.5A401 D437A401-R439 VanDerWaalsContact C-NH2 3.3Å; A401-R439 PolarHBondContact O-NH2 3.37Å; D437-R439 VanDerWaalsContact OD1-CB 3.31Å; D437-R439 WeakPolarHBondContact OD1-CB 3.43Å; D437-R439 VanDerWaalsContact OD1-CG 3.25Å; D437-R439 WeakPolarHBondContact OD1-CG 3.39Å; D437-R439 PolarHBondContact OD1-N 2.94Å
440K79.6Confident85.5Confident137 Ų13767.3 Ų67.360%0.59636%0.358SS*.SBendtrans-114.1172.1-175.6-63.6-178.5-176.1175.90110.7D438 W442 W443D438-K440 VanDerWaalsContact C-N 3.28Å; D438-K440 PolarHBondContact O-N 3.42Å; K440-W442 PolarHBondContact O-N 3.06Å; K440-W443 PolarHBondContact O-NE1 3.42Å
441Q83.4Confident85.2Confident139 Ų13965.2 Ų65.265%0.6535%0.353SS*.SBendtrans-64.5-20.9173.3-67.3-65.1-59.100112.9N457Q441-N457 PolarHBondContact O-N 3.07Å; Q441-N457 PolarHBondContact O-OD1 3.21Å
442W88.8Confident85.2Confident99 Ų9965.4 Ų65.438%0.37536%0.363SS..EExtended strand (participates in β ladder)trans-111.9115.6173-72.568.4000108.2F417 E424 K440 Y454 V455 P456F417-W442 HydrophobicContact CE1-CZ3 4.4Å; F417-W442 HydrophobicContact CE2-CH2 4.42Å; F417-W442 AromaticContact CZ-CH2 3.94Å; F417-W442 HydrophobicContact CZ-CH2 3.94Å; F417-W442 AromaticContact CZ-CZ3 3.73Å; F417-W442 HydrophobicContact CZ-CZ3 3.73Å; E424-W442 HydrophobicContact CG-CE3 4.36Å; E424-W442 HydrophobicContact CG-CH2 4.24Å; E424-W442 HydrophobicContact CG-CZ3 3.6Å; K440-W442 PolarHBondContact O-N 3.06Å; W442-Y454 HydrophobicContact CB-CD1 4.28Å; W442-V455 CarbonylContact C-O 3.47Å; W442-P456 HydrophobicContact CD2-CB 4.32Å; W442-P456 HydrophobicContact CZ3-CG 4.48Å
443W91.1Very high85.3Confident29 Ų2961.2 Ų61.211%0.1134%0.342CS..EExtended strand (participates in β ladder)trans-84.1136.1-179.2-68.30.9000109.6A411 V435 D437 D438 K440 V445 Y454 V455 N457 L460 L462A411-W443 HydrophobicContact CB-CZ3 4.46Å; V435-W443 HydrophobicContact CG1-CE3 4.26Å; V435-W443 HydrophobicContact CG2-CE3 4.33Å; D437-W443 CarbonylContact O-C 3.43Å; D437-W443 WeakPolarHBondContact O-CA 3.32Å; D438-W443 HydrophobicContact CB-CD2 3.89Å; D438-W443 HydrophobicContact CB-CE3 4.39Å; D438-W443 HydrophobicContact CB-CG 4.2Å; D438-W443 HydrophobicContact CB-CH2 4.5Å; D438-W443 HydrophobicContact CB-CZ2 3.98Å; D438-W443 PolarHBondContact O-NE1 3Å; K440-W443 PolarHBondContact O-NE1 3.42Å; W443-V445 HydrophobicContact CB-CG1 4.21Å; W443-Y454 CarbonylContact O-C 3.58Å; W443-Y454 WeakPolarHBondContact O-CA 3.35Å; W443-V455 PolarHBondContact N-O 3.26Å; W443-V455 PolarHBondContact O-N 3.08Å; W443-N457 HydrophobicContact CD2-CB 3.88Å; W443-N457 HydrophobicContact CG-CB 3.98Å; W443-N457 HydrophobicContact CZ2-CB 4.06Å; W443-L460 HydrophobicContact CB-CD1 3.95Å; W443-L460 HydrophobicContact CD2-CD1 4.19Å; W443-L460 HydrophobicContact CE3-CB 4.15Å; W443-L460 HydrophobicContact CE3-CD1 3.69Å; W443-L460 HydrophobicContact CG-CD1 4.33Å; W443-L460 HydrophobicContact CZ3-CB 4.25Å; W443-L462 HydrophobicContact CH2-CD1 4.02Å; W443-L462 HydrophobicContact CH2-CD2 3.96Å; W443-L462 HydrophobicContact CH2-CG 3.84Å; W443-L462 HydrophobicContact CZ3-CD2 3.64Å; W443-L462 HydrophobicContact CZ3-CG 3.92Å
444K90.1Very high85.4Confident81 Ų8164.6 Ų64.635%0.35236%0.355SS..EExtended strand (participates in β ladder)trans-82.6119.3169.7-163.1177-175.6176.80107.4L436 D437 Y454L436-K444 WeakPolarHBondContact CA-O 3.39Å; L436-K444 HydrophobicContact CB-CB 4.41Å; L436-K444 HydrophobicContact CB-CG 4.46Å; L436-K444 WeakPolarHBondContact CB-O 3.41Å; L436-K444 PolarHBondContact N-O 3.38Å; D437-K444 HydrophobicContact CB-CB 3.81Å; D437-K444 PolarHBondContact N-O 3Å; D437-K444 VanDerWaalsContact N-O 3.12Å; D437-K444 PolarHBondContact O-N 3.21Å; K444-Y454 HydrophobicContact CB-CD1 4.07Å; K444-Y454 HydrophobicContact CB-CE1 3.74Å; K444-Y454 HydrophobicContact CD-CE1 4.4Å; K444-Y454 HydrophobicContact CG-CE1 4.14Å
445V90.3Very high85.4Confident0 Ų062.4 Ų62.40%035%0.345CS..EExtended strand (participates in β ladder)trans-127.7159.3-177-660000110.5L425 L433 E434 V435 W443 A452 G453 V455 L460L425-V445 HydrophobicContact CD2-CG2 3.83Å; L433-V445 HydrophobicContact CB-CB 4.12Å; L433-V445 HydrophobicContact CB-CG1 4.44Å; L433-V445 HydrophobicContact CD1-CG2 4.32Å; E434-V445 CarbonylContact O-C 3.55Å; E434-V445 WeakPolarHBondContact O-CA 3.31Å; V435-V445 HydrophobicContact CG2-CG1 4.37Å; W443-V445 HydrophobicContact CB-CG1 4.21Å; V445-A452 CarbonylContact O-C 3.47Å; V445-A452 WeakPolarHBondContact O-CA 3.27Å; V445-G453 PolarHBondContact N-O 3.46Å; V445-G453 PolarHBondContact O-N 2.97Å; V445-V455 HydrophobicContact CG2-CB 3.98Å; V445-V455 HydrophobicContact CG2-CG2 3.44Å; V445-V455 VanDerWaalsContact CG2-CG2 3.44Å; V445-L460 HydrophobicContact CG1-CD1 3.97Å
446R89.4Confident85.4Confident89 Ų8962.5 Ų62.534%0.33635%0.346SS..EExtended strand (participates in β ladder)trans-122.6131173.3-174.7-173.1-65133.1-3.7109.9E434 L436 A451 A452E434-R446 HydrophobicContact CB-CB 4.28Å; E434-R446 PolarHBondContact N-O 3.25Å; E434-R446 PolarHBondContact O-N 3.16Å; E434-R446 IonicContact OE1-NH1 3.44Å; E434-R446 PolarHBondContact OE1-NH1 3.36Å; E434-R446 VanDerWaalsContact OE1-NH1 3.08Å; E434-R446 WeakPolarHBondContact OE2-CD 3.24Å; E434-R446 IonicContact OE2-CZ 3.1Å; E434-R446 IonicContact OE2-NH1 2.91Å; E434-R446 PolarHBondContact OE2-NH1 3.49Å; L436-R446 HydrophobicContact CD1-CB 4.04Å; L436-R446 HydrophobicContact CG-CB 4.31Å; R446-A451 WeakPolarHBondContact CA-O 3.5Å; R446-A452 HydrophobicContact CB-CB 4.33Å; R446-A452 HydrophobicContact CG-CB 4.49Å
447N87.5Confident85.5Confident27 Ų2762.2 Ų62.214%0.14434%0.344CS..  trans-86.1172.1175.869.47.7000112.3L425 L433 A449 G450 A451L425-N447 HydrophobicContact CD2-CB 4.14Å; L433-N447 HydrophobicContact CD2-CB 3.83Å; N447-A449 PolarHBondContact O-N 3.43Å; N447-A449 VanDerWaalsContact O-N 3.08Å; N447-A449 WeakPolarHBondContact OD1-CA 3.48Å; N447-A449 WeakPolarHBondContact OD1-CB 3.45Å; N447-A449 PolarHBondContact OD1-N 3.34Å; N447-A449 VanDerWaalsContact OD1-N 3.14Å; N447-G450 PolarHBondContact O-N 3.43Å; N447-G450 PolarHBondContact OD1-N 2.97Å; N447-A451 PolarHBondContact N-O 3.46Å; N447-A451 WeakPolarHBondContact OD1-CB 3.49Å; N447-A451 PolarHBondContact OD1-N 3.01Å; N447-A451 PolarHBondContact OD1-O 3.07Å
448G80.2Confident85.9Confident83 Ų8365.9 Ų65.986%0.85636%0.364SS*.THydrogen-bonded Turntrans-62.6-14.1177.800000114.9G450G448-G450 VanDerWaalsContact C-N 3.32Å
449A78.7Confident86Confident91 Ų9164.6 Ų64.675%0.75236%0.357SS*.THydrogen-bonded Turntrans-87.20.6173.500000113.1N447 A451N447-A449 PolarHBondContact O-N 3.43Å; N447-A449 VanDerWaalsContact O-N 3.08Å; N447-A449 WeakPolarHBondContact OD1-CA 3.48Å; N447-A449 WeakPolarHBondContact OD1-CB 3.45Å; N447-A449 PolarHBondContact OD1-N 3.34Å; N447-A449 VanDerWaalsContact OD1-N 3.14Å; A449-A451 VanDerWaalsContact C-N 3.27Å; A449-A451 PolarHBondContact O-N 3.24Å
450G80.5Confident86.8Confident49 Ų4957.6 Ų57.651%0.50533%0.332SS..SBendtrans80.42-179.100000114.5N447 G448N447-G450 PolarHBondContact O-N 3.43Å; N447-G450 PolarHBondContact OD1-N 2.97Å; G448-G450 VanDerWaalsContact C-N 3.32Å
451A83.1Confident87.2Confident46 Ų4655.7 Ų55.738%0.3833%0.325SS..  trans-78.1132.5175.600000109.9L425 R446 N447 A449L425-A451 HydrophobicContact CD1-CB 3.86Å; R446-A451 WeakPolarHBondContact CA-O 3.5Å; N447-A451 PolarHBondContact N-O 3.46Å; N447-A451 WeakPolarHBondContact OD1-CB 3.49Å; N447-A451 PolarHBondContact OD1-N 3.01Å; N447-A451 PolarHBondContact OD1-O 3.07Å; A449-A451 VanDerWaalsContact C-N 3.27Å; A449-A451 PolarHBondContact O-N 3.24Å
452A89.4Confident87.2Confident54 Ų5453.3 Ų53.345%0.44632%0.316SS..EExtended strand (participates in β ladder)trans-117.5140.6-179.900000111.2L436 V445 R446L436-A452 HydrophobicContact CD1-CB 4.1Å; V445-A452 CarbonylContact O-C 3.47Å; V445-A452 WeakPolarHBondContact O-CA 3.27Å; R446-A452 HydrophobicContact CB-CB 4.33Å; R446-A452 HydrophobicContact CG-CB 4.49Å
453G90.1Very high86Confident4 Ų455 Ų554%0.04134%0.337CS..EExtended strand (participates in β ladder)trans-173.2-178178.100000111.8T423 V445T423-G453 CarbonylContact O-C 3.59Å; T423-G453 WeakPolarHBondContact O-CA 3.39Å; V445-G453 PolarHBondContact N-O 3.46Å; V445-G453 PolarHBondContact O-N 2.97Å
454Y91.6Very high85.7Confident72 Ų7256.3 Ų56.328%0.28235%0.349SS..EExtended strand (participates in β ladder)trans-91.7134.7-175.5-68.4-77000111.9T423 E424 L425 W442 W443 K444T423-Y454 VanDerWaalsContact O-CD2 3.25Å; T423-Y454 WeakPolarHBondContact O-CD2 3.04Å; T423-Y454 PolarHBondContact O-N 3.42Å; E424-Y454 WeakPolarHBondContact CA-O 3.49Å; L425-Y454 PolarHBondContact N-O 3.4Å; L425-Y454 VanDerWaalsContact N-O 3.09Å; W442-Y454 HydrophobicContact CB-CD1 4.28Å; W443-Y454 CarbonylContact O-C 3.58Å; W443-Y454 WeakPolarHBondContact O-CA 3.35Å; K444-Y454 HydrophobicContact CB-CD1 4.07Å; K444-Y454 HydrophobicContact CB-CE1 3.74Å; K444-Y454 HydrophobicContact CD-CE1 4.4Å; K444-Y454 HydrophobicContact CG-CE1 4.14Å
455V90Very high85.5Confident0 Ų055 Ų550%035%0.349CS..EExtended strand (participates in β ladder)trans-132.9135.8176.5-179.20000108.3F417 L425 V427 W442 W443 V445 N457 I459 L460F417-V455 HydrophobicContact CD1-CG1 4.38Å; L425-V455 HydrophobicContact CB-CG2 3.9Å; L425-V455 WeakPolarHBondContact O-CG2 3.37Å; V427-V455 HydrophobicContact CG1-CG2 3.9Å; V427-V455 HydrophobicContact CG2-CG1 3.98Å; V427-V455 HydrophobicContact CG2-CG2 4.33Å; W442-V455 CarbonylContact C-O 3.47Å; W443-V455 PolarHBondContact N-O 3.26Å; W443-V455 PolarHBondContact O-N 3.08Å; V445-V455 HydrophobicContact CG2-CB 3.98Å; V445-V455 HydrophobicContact CG2-CG2 3.44Å; V445-V455 VanDerWaalsContact CG2-CG2 3.44Å; V455-N457 PolarHBondContact O-N 3.16Å; V455-I459 HydrophobicContact CG1-CD1 3.63Å; V455-I459 HydrophobicContact CG1-CG1 3.88Å; V455-L460 HydrophobicContact CB-CD1 4.15Å; V455-L460 HydrophobicContact CG1-CD1 4.07Å; V455-L460 HydrophobicContact CG1-CD2 4.01Å; V455-L460 HydrophobicContact CG1-CG 4.05Å
456P88.4Confident85.2Confident18 Ų1858.1 Ų58.112%0.11737%0.368CS..EExtended strand (participates in β ladder)trans-65.3137.8-178.525.1-31.1000111.1F417 W442 N458 I459F417-P456 HydrophobicContact CD2-CG 4.22Å; F417-P456 HydrophobicContact CE2-CG 3.98Å; F417-P456 HydrophobicContact CZ-CG 4.44Å; W442-P456 HydrophobicContact CD2-CB 4.32Å; W442-P456 HydrophobicContact CZ3-CG 4.48Å; P456-N458 WeakPolarHBondContact CB-OD1 3.49Å; P456-N458 PolarHBondContact O-N 3.3Å; P456-I459 HydrophobicContact CG-CD1 3.98Å; P456-I459 HydrophobicContact CG-CG1 4.03Å; P456-I459 WeakPolarHBondContact O-CG1 3.5Å; P456-I459 PolarHBondContact O-N 3.12Å
457N87.7Confident85Confident43 Ų4356.2 Ų56.223%0.2337%0.37CS..G310 helixtrans-65.6-25.6-171.868.50.4000114Q441 W443 V455 I459 L460Q441-N457 PolarHBondContact O-N 3.07Å; Q441-N457 PolarHBondContact O-OD1 3.21Å; W443-N457 HydrophobicContact CD2-CB 3.88Å; W443-N457 HydrophobicContact CG-CB 3.98Å; W443-N457 HydrophobicContact CZ2-CB 4.06Å; V455-N457 PolarHBondContact O-N 3.16Å; N457-I459 PolarHBondContact O-N 3.24Å; N457-L460 PolarHBondContact O-N 2.82Å
458N88.3Confident84.8Confident117 Ų11758.1 Ų58.163%0.62638%0.384SS*.G310 helixtrans-69.2-14.2-175.567.2-23.2000113.3P456P456-N458 WeakPolarHBondContact CB-OD1 3.49Å; P456-N458 PolarHBondContact O-N 3.3Å
459I87.5Confident85.1Confident19 Ų1956.4 Ų56.410%0.09735%0.352CS..G310 helixtrans-1055.3174.566.4167.7000112.7S413 K414 Y415 F417 V455 P456 N457S413-I459 CarbonylContact C-O 3.49Å; S413-I459 WeakPolarHBondContact CA-O 3.35Å; K414-I459 PolarHBondContact N-O 2.83Å; Y415-I459 HydrophobicContact CD2-CB 4.08Å; Y415-I459 HydrophobicContact CD2-CG2 3.82Å; F417-I459 HydrophobicContact CB-CD1 3.43Å; F417-I459 VanDerWaalsContact CB-CD1 3.43Å; F417-I459 HydrophobicContact CD2-CD1 4.01Å; F417-I459 HydrophobicContact CG-CD1 3.78Å; V455-I459 HydrophobicContact CG1-CD1 3.63Å; V455-I459 HydrophobicContact CG1-CG1 3.88Å; P456-I459 HydrophobicContact CG-CD1 3.98Å; P456-I459 HydrophobicContact CG-CG1 4.03Å; P456-I459 WeakPolarHBondContact O-CG1 3.5Å; P456-I459 PolarHBondContact O-N 3.12Å; N457-I459 PolarHBondContact O-N 3.24Å
460L87.8Confident85.6Confident13 Ų1353.9 Ų53.97%0.06832%0.324CS..EExtended strand (participates in β ladder)trans-110.9144.1179.9-64.3176.7000111A411 L433 W443 V445 V455 N457A411-L460 HydrophobicContact CB-CB 4.29Å; L433-L460 HydrophobicContact CD1-CD2 3.59Å; W443-L460 HydrophobicContact CB-CD1 3.95Å; W443-L460 HydrophobicContact CD2-CD1 4.19Å; W443-L460 HydrophobicContact CE3-CB 4.15Å; W443-L460 HydrophobicContact CE3-CD1 3.69Å; W443-L460 HydrophobicContact CG-CD1 4.33Å; W443-L460 HydrophobicContact CZ3-CB 4.25Å; V445-L460 HydrophobicContact CG1-CD1 3.97Å; V455-L460 HydrophobicContact CB-CD1 4.15Å; V455-L460 HydrophobicContact CG1-CD1 4.07Å; V455-L460 HydrophobicContact CG1-CD2 4.01Å; V455-L460 HydrophobicContact CG1-CG 4.05Å; N457-L460 PolarHBondContact O-N 2.82Å
461E86.7Confident86Confident97 Ų9754.3 Ų54.345%0.45331%0.31SS..EExtended strand (participates in β ladder)trans-125116.1175.9-166150.8-127.800110.3A411 K412 K414 T463A411-E461 CarbonylContact C-O 3.37Å; A411-E461 VanDerWaalsContact CA-O 3.24Å; A411-E461 WeakPolarHBondContact CA-O 3.05Å; K412-E461 PolarHBondContact N-O 3.45Å; K412-E461 PolarHBondContact O-N 3.41Å; K414-E461 VanDerWaalsContact CE-CB 3.42Å; K414-E461 VanDerWaalsContact CE-OE1 3.32Å; K414-E461 WeakPolarHBondContact CE-OE1 3.18Å; K414-E461 VanDerWaalsContact CE-OE2 3.23Å; K414-E461 WeakPolarHBondContact CE-OE2 3.24Å; K414-E461 HydrophobicContact CG-CB 4.31Å; K414-E461 VanDerWaalsContact NZ-CD 3.31Å; K414-E461 IonicContact NZ-OE1 2.96Å; K414-E461 PolarHBondContact NZ-OE1 3.22Å; K414-E461 IonicContact NZ-OE2 2.71Å; E461-T463 PolarHBondContact O-N 3.1Å; E461-T463 PolarHBondContact O-OG1 2.93Å
462L84.4Confident86.2Confident89 Ų8955 Ų5547%0.46630%0.304SS..EExtended strand (participates in β ladder)trans-60.7131.4173.8-67.3172.8000109.8L409 A411 V435 W443L409-L462 HydrophobicContact CD2-CD2 3.61Å; L409-L462 HydrophobicContact CG-CD2 4.05Å; A411-L462 HydrophobicContact CB-CD2 4.36Å; V435-L462 HydrophobicContact CG2-CD2 4.25Å; W443-L462 HydrophobicContact CH2-CD1 4.02Å; W443-L462 HydrophobicContact CH2-CD2 3.96Å; W443-L462 HydrophobicContact CH2-CG 3.84Å; W443-L462 HydrophobicContact CZ3-CD2 3.64Å; W443-L462 HydrophobicContact CZ3-CG 3.92Å
463T63.1Low85.9Confident134 Ų13455.1 Ų55.182%0.82229%0.291SS*.  trans-117.90-175.1-50.50000111.6F410 K412 E461F410-T463 PolarHBondContact O-N 2.96Å; K412-T463 WeakPolarHBondContact CB-OG1 3.45Å; E461-T463 PolarHBondContact O-N 3.1Å; E461-T463 PolarHBondContact O-OG1 2.93Å

Retrieved 463 of 463 residues in 984.7 ms (Link to these results)

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