A0A087XAD1_POEFO Loading...

Si:rp71-19m20.1

AlphaFold DB , UniProt , Accession A0A087XAD1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 416 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
1M39.9Very low71.1Confident241 Ų24172.6 Ų72.6100%1.18742%0.424SS*.  0118.60-150.2-177.1-61.800106.3
2V39Very low72.9Confident97 Ų9767.1 Ų67.159%0.58839%0.39SS*.  trans-92.7137.5174.7178.50000106.9I4V2-I4 VanDerWaalsContact C-N 3.31Å; V2-I4 HydrophobicContact CB-CD1 4.48Å; V2-I4 HydrophobicContact CB-CG1 4.06Å; V2-I4 HydrophobicContact CG1-CG1 3.85Å; V2-I4 PolarHBondContact O-N 3.01Å
3D47.4Very low74.3Confident139 Ų13968.1 Ų68.174%0.74340%0.398SS*.  trans-7684.1174175.627.9000109.8G5D3-G5 VanDerWaalsContact C-N 3.26Å; D3-G5 PolarHBondContact O-N 3.3Å; D3-G5 VanDerWaalsContact O-N 3.07Å
4I59Low75.2Confident10 Ų1065.8 Ų65.85%0.05139%0.387CS..  trans-84.374.3177.7-56.1-169.8000109V2 V6 H29 A77 L158V2-I4 VanDerWaalsContact C-N 3.31Å; V2-I4 HydrophobicContact CB-CD1 4.48Å; V2-I4 HydrophobicContact CB-CG1 4.06Å; V2-I4 HydrophobicContact CG1-CG1 3.85Å; V2-I4 PolarHBondContact O-N 3.01Å; I4-V6 PolarHBondContact O-N 2.83Å; I4-V6 VanDerWaalsContact O-N 3.16Å; I4-H29 WeakPolarHBondContact CD1-NE2 3.4Å; I4-A77 HydrophobicContact CD1-CB 3.81Å; I4-A77 HydrophobicContact CG2-CB 3.67Å; I4-L158 HydrophobicContact CB-CD1 4.31Å; I4-L158 HydrophobicContact CG2-CD1 3.75Å
5G69.6Low75.5Confident11 Ų1167.5 Ų67.511%0.11339%0.389CS..  trans-67.3109174.700000111.7D3 R72D3-G5 VanDerWaalsContact C-N 3.26Å; D3-G5 PolarHBondContact O-N 3.3Å; D3-G5 VanDerWaalsContact O-N 3.07Å; G5-R72 WeakPolarHBondContact O-CD 3.31Å; G5-R72 WeakPolarHBondContact O-CG 3.27Å; G5-R72 PolarHBondContact O-NE 2.77Å
6V80.3Confident74.8Confident15 Ų1571.6 Ų71.69%0.09142%0.416CS..EExtended strand (participates in β ladder)trans-71.4145.2165.2179.80000109I4 L25 P27 V156 L158I4-V6 PolarHBondContact O-N 2.83Å; I4-V6 VanDerWaalsContact O-N 3.16Å; V6-L25 HydrophobicContact CB-CD2 4.08Å; V6-L25 HydrophobicContact CG1-CD2 4.07Å; V6-P27 HydrophobicContact CG2-CB 3.92Å; V6-V156 HydrophobicContact CG2-CG1 4.42Å; V6-L158 HydrophobicContact CG2-CD1 3.96Å; V6-L158 HydrophobicContact CG2-CD2 3.93Å; V6-L158 HydrophobicContact CG2-CG 4.4Å
7K87.3Confident74.5Confident126 Ų12678.2 Ų78.255%0.54844%0.442SS..EExtended strand (participates in β ladder)trans-103.7135.1168.1-66.7-178178.1-177.90109.6L69 S70K7-L69 WeakPolarHBondContact O-CA 3.48Å; K7-S70 PolarHBondContact N-O 3.06Å; K7-S70 PolarHBondContact O-N 3.18Å
8S88.8Confident74.7Confident33 Ų3376.3 Ų76.323%0.23144%0.442CS..EExtended strand (participates in β ladder)trans-110.8148.8168.556.30000111.3L21 G22 T68S8-L21 PolarHBondContact OG-O 3.47Å; S8-G22 PolarHBondContact OG-N 3.34Å; S8-T68 CarbonylContact C-O 3.53Å; S8-T68 WeakPolarHBondContact CA-O 3.27Å
9G88.8Confident75.1Confident29 Ų2974.2 Ų74.230%0.29943%0.432SS..EExtended strand (participates in β ladder)trans-147.6173167.800000110.5L21 L67 T68G9-L21 VanDerWaalsContact O-CD2 3.27Å; G9-L21 WeakPolarHBondContact O-CD2 3.29Å; G9-L67 CarbonylContact O-C 3.5Å; G9-L67 WeakPolarHBondContact O-CA 3.28Å; G9-T68 PolarHBondContact N-O 3.42Å; G9-T68 PolarHBondContact O-N 3.2Å
10A91Very high75.8Confident36 Ų3676.4 Ų76.430%0.29844%0.438SS..EExtended strand (participates in β ladder)trans-144.3151.4176.600000111.7W12 L21 L56 V66 L67A10-W12 VanDerWaalsContact C-N 3.33Å; A10-W12 WeakPolarHBondContact CB-O 3.3Å; A10-L21 HydrophobicContact CB-CD2 4.08Å; A10-L56 HydrophobicContact CB-CD1 3.81Å; A10-L56 HydrophobicContact CB-CD2 4.17Å; A10-V66 CarbonylContact C-O 3.54Å; A10-V66 VanDerWaalsContact CA-O 3.26Å; A10-V66 WeakPolarHBondContact CA-O 3.47Å; A10-L67 HydrophobicContact CB-CD2 3.9Å
11A91Very high76.4Confident62 Ų6273.1 Ų73.151%0.51242%0.419SS..SBendtrans-75.6-23.317200000112.6V66A11-V66 HydrophobicContact CB-CB 4.19Å; A11-V66 PolarHBondContact N-O 3.38Å
12W92.9Very high78.7Confident6 Ų663.6 Ų63.62%0.02338%0.383CS..SBendtrans-95147.3170.9-74.313.9000110A10 L56 E57 Q58 S63 P64 C65 L143 V149A10-W12 VanDerWaalsContact C-N 3.33Å; A10-W12 WeakPolarHBondContact CB-O 3.3Å; W12-L56 HydrophobicContact CB-CB 3.91Å; W12-L56 HydrophobicContact CB-CD1 4.48Å; W12-L56 HydrophobicContact CE3-CB 4.36Å; W12-E57 WeakPolarHBondContact CB-O 3.41Å; W12-Q58 HydrophobicContact CD2-CB 3.91Å; W12-Q58 HydrophobicContact CD2-CG 4.47Å; W12-Q58 HydrophobicContact CE3-CB 4.26Å; W12-Q58 HydrophobicContact CG-CB 4.47Å; W12-Q58 HydrophobicContact CH2-CB 4.07Å; W12-Q58 HydrophobicContact CZ2-CB 3.7Å; W12-Q58 HydrophobicContact CZ2-CG 3.77Å; W12-Q58 HydrophobicContact CZ3-CB 4.34Å; W12-S63 WeakPolarHBondContact CZ2-O 3.45Å; W12-S63 PolarHBondContact NE1-O 3.34Å; W12-S63 PolarHBondContact NE1-OG 3.09Å; W12-P64 PolarHBondContact NE1-O 3.36Å; W12-C65 HydrophobicContact CD2-CB 3.64Å; W12-C65 HydrophobicContact CE3-CB 3.81Å; W12-C65 HydrophobicContact CG-CB 4.21Å; W12-C65 HydrophobicContact CH2-CB 4.08Å; W12-C65 HydrophobicContact CZ2-CB 3.89Å; W12-C65 HydrophobicContact CZ3-CB 4.02Å; W12-L143 HydrophobicContact CH2-CD1 3.39Å; W12-L143 HydrophobicContact CZ2-CD1 4.15Å; W12-L143 HydrophobicContact CZ3-CD1 3.84Å; W12-V149 HydrophobicContact CE3-CG1 4.09Å; W12-V149 HydrophobicContact CZ3-CB 4.48Å; W12-V149 HydrophobicContact CZ3-CG1 4.09Å
13V90.9Very high81Confident80 Ų8063.4 Ų63.449%0.48538%0.378SS..EExtended strand (participates in β ladder)trans-81.8130.5-171.1161.20000111L56 E57 V59V13-L56 WeakPolarHBondContact O-CA 3.33Å; V13-E57 PolarHBondContact N-O 2.77Å; V13-E57 PolarHBondContact O-N 2.93Å; V13-V59 HydrophobicContact CB-CG2 3.9Å; V13-V59 HydrophobicContact CG2-CG2 3.38Å
14C87.4Confident83Confident36 Ų3656.8 Ų56.824%0.24334%0.343CS..EExtended strand (participates in β ladder)trans-71.2139.4164.5-58.20000109.3T16 L56C14-T16 PolarHBondContact O-N 3.16Å; C14-L56 HydrophobicContact CB-CD2 4.33Å; C14-L56 WeakPolarHBondContact SG-CD2 3.43Å
15Q78.5Confident84.5Confident92 Ų9257.2 Ų57.243%0.4335%0.345SS..PPolyproline II helixtrans-58.7139.1169.4-68.3-167-10.900110.8E17 E57Q15-E17 VanDerWaalsContact C-N 3.29Å; Q15-E17 PolarHBondContact O-N 3.06Å; Q15-E57 PolarHBondContact NE2-OE1 2.82Å
16T65.4Low85.5Confident133 Ų13358.8 Ų58.882%0.81635%0.351SS*.SBendtrans-74.1-16.4-17346.70000114.5C14C14-T16 PolarHBondContact O-N 3.16Å
17E69.7Low85.9Confident184 Ų18460.5 Ų60.586%0.8636%0.362SS*.SBendtrans-119.776179.1-63.8-172.4176.700109.4Q15Q15-E17 VanDerWaalsContact C-N 3.29Å; Q15-E17 PolarHBondContact O-N 3.06Å
18G77.9Confident85.9Confident43 Ų4356.6 Ų56.644%0.44335%0.349SS..SBendtrans179.9-177.3-177.100000113.1
19P82.4Confident85.7Confident37 Ų3759.3 Ų59.324%0.2436%0.358CS..  trans-62.2142.4170.929.7-36.1000110.3A52 V54P19-A52 HydrophobicContact CG-CB 4.15Å; P19-A52 WeakPolarHBondContact CG-O 3.19Å; P19-V54 HydrophobicContact CB-CG2 4.16Å; P19-V54 HydrophobicContact CG-CG2 4.26Å
20Q89.2Confident85Confident118 Ų11860.4 Ų60.455%0.55136%0.356SS*.  trans-99.8163.9177-61.7-166.1-0.100111.5G22 D23 V54Q20-G22 PolarHBondContact O-N 3.27Å; Q20-D23 PolarHBondContact N-OD2 2.76Å; Q20-D23 WeakPolarHBondContact O-CB 3.15Å; Q20-D23 PolarHBondContact O-N 2.97Å; Q20-V54 WeakPolarHBondContact O-CG2 3.46Å
21L88.8Confident83.5Confident7 Ų761.7 Ų61.74%0.03736%0.363CS..THydrogen-bonded Turntrans-58.8-18.3-179.6-156.569.3000113.9S8 G9 A10 I24 V54 L67 I151 I154S8-L21 PolarHBondContact OG-O 3.47Å; G9-L21 VanDerWaalsContact O-CD2 3.27Å; G9-L21 WeakPolarHBondContact O-CD2 3.29Å; A10-L21 HydrophobicContact CB-CD2 4.08Å; L21-I24 HydrophobicContact CD1-CD1 4.28Å; L21-V54 HydrophobicContact CD1-CG1 4.46Å; L21-L67 HydrophobicContact CD1-CD2 4.49Å; L21-L67 HydrophobicContact CD2-CD2 4.28Å; L21-I151 HydrophobicContact CD1-CD1 4.03Å; L21-I154 HydrophobicContact CD1-CD1 3.77Å; L21-I154 HydrophobicContact CG-CD1 4.02Å
22G86.5Confident81.5Confident42 Ų4265.5 Ų65.543%0.43338%0.375SS..THydrogen-bonded Turntrans-81.5-24172.800000114.8S8 Q20 I24 L25S8-G22 PolarHBondContact OG-N 3.34Å; Q20-G22 PolarHBondContact O-N 3.27Å; G22-I24 VanDerWaalsContact C-N 3.3Å; G22-L25 PolarHBondContact O-N 2.9Å
23D87.2Confident79.1Confident92 Ų9274.1 Ų74.149%0.49241%0.407SS..THydrogen-bonded Turntrans-76.4-22.7-178.6-56.5-40.8000111.9Q20 V51Q20-D23 PolarHBondContact N-OD2 2.76Å; Q20-D23 WeakPolarHBondContact O-CB 3.15Å; Q20-D23 PolarHBondContact O-N 2.97Å; D23-V51 HydrophobicContact CB-CG1 4.29Å
24I90.1Very high76.7Confident0 Ų079.5 Ų79.50%043%0.427CS..THydrogen-bonded Turntrans-101.410.1174.964.8163.7000113.2L21 G22 V51 V54 I151 R152 I154L21-I24 HydrophobicContact CD1-CD1 4.28Å; G22-I24 VanDerWaalsContact C-N 3.3Å; I24-V51 HydrophobicContact CG2-CB 4.36Å; I24-V51 HydrophobicContact CG2-CG1 3.68Å; I24-V54 HydrophobicContact CD1-CB 4.07Å; I24-V54 HydrophobicContact CD1-CG2 3.66Å; I24-V54 HydrophobicContact CG1-CG2 3.81Å; I24-V54 HydrophobicContact CG2-CG2 3.94Å; I24-I151 HydrophobicContact CD1-CB 3.91Å; I24-I151 HydrophobicContact CD1-CG2 3.56Å; I24-I151 WeakPolarHBondContact CD1-O 3.46Å; I24-R152 WeakPolarHBondContact CG2-O 3.39Å; I24-I154 HydrophobicContact CD1-CD1 4.5Å; I24-I154 HydrophobicContact CD1-CG1 4.35Å; I24-I154 PolarHBondContact O-N 3.35Å
25L91.1Very high74.3Confident20 Ų2083 Ų8311%0.10544%0.443CS..EExtended strand (participates in β ladder)trans-99118.6-175.7-177.270.2000111.6V6 G22 P27 L69 I154 V156V6-L25 HydrophobicContact CB-CD2 4.08Å; V6-L25 HydrophobicContact CG1-CD2 4.07Å; G22-L25 PolarHBondContact O-N 2.9Å; L25-P27 WeakPolarHBondContact O-CD 3.48Å; L25-L69 HydrophobicContact CD1-CD2 4.12Å; L25-I154 CarbonylContact C-O 3.46Å; L25-I154 WeakPolarHBondContact CA-O 3.35Å; L25-I154 HydrophobicContact CD1-CB 4.01Å; L25-I154 HydrophobicContact CD1-CG2 3.69Å; L25-V156 HydrophobicContact CD1-CG2 3.71Å
26L90Very high72.5Confident44 Ų4486.9 Ų86.923%0.2347%0.467CS..EExtended strand (participates in β ladder)trans-115102.6179.1-75.4177.7000112.2V28 T48 I154 V155 V156L26-V28 PolarHBondContact O-N 3.38Å; L26-T48 HydrophobicContact CD1-CG2 3.72Å; L26-T48 VanDerWaalsContact CD1-OG1 3.3Å; L26-T48 WeakPolarHBondContact CD1-OG1 3.49Å; L26-T48 HydrophobicContact CD2-CG2 3.74Å; L26-T48 HydrophobicContact CG-CG2 3.77Å; L26-I154 PolarHBondContact N-O 3.26Å; L26-V155 HydrophobicContact CB-CG1 4.34Å; L26-V155 HydrophobicContact CB-CG2 4.22Å; L26-V155 HydrophobicContact CD1-CG2 4.23Å; L26-V155 WeakPolarHBondContact O-CA 3.35Å; L26-V156 PolarHBondContact O-N 2.78Å
27P88Confident71.2Confident51 Ų5187.4 Ų87.433%0.33147%0.465SS..EExtended strand (participates in β ladder)trans-76.7110.6167.529.7-31.2000111V6 L25 L158V6-P27 HydrophobicContact CG2-CB 3.92Å; L25-P27 WeakPolarHBondContact O-CD 3.48Å; P27-L158 HydrophobicContact CB-CD1 3.67Å; P27-L158 HydrophobicContact CB-CG 4.48Å
28V88Confident69.9Low43 Ų4387.5 Ų87.526%0.26147%0.466SS..EExtended strand (participates in β ladder)trans-104.6128177.8176.10000108.8L26 L30 V155 V156 G157 L158L26-V28 PolarHBondContact O-N 3.38Å; V28-L30 HydrophobicContact CG1-CD2 4.45Å; V28-V155 HydrophobicContact CB-CG1 4.32Å; V28-V155 HydrophobicContact CG2-CG1 3.61Å; V28-V156 PolarHBondContact N-O 3.38Å; V28-G157 CarbonylContact O-C 3.5Å; V28-G157 WeakPolarHBondContact O-CA 3.43Å; V28-L158 PolarHBondContact O-N 3.39Å
29H84.8Confident68.4Low91 Ų9191.2 Ų91.242%0.42147%0.471SS..EExtended strand (participates in β ladder)trans-90.5115.2178.5-68.858.3000109.9I4 S31I4-H29 WeakPolarHBondContact CD1-NE2 3.4Å; H29-S31 PolarHBondContact O-N 3.27Å
30L74.8Confident66.9Low51 Ų5191.9 Ų91.927%0.26747%0.473SS..  trans-78.6101174.4-58.3-177.3000108.5V28 L41 L158V28-L30 HydrophobicContact CG1-CD2 4.45Å; L30-L41 HydrophobicContact CD2-CD2 4.44Å; L30-L158 PolarHBondContact N-O 2.87Å
31S58.2Low65.3Low64 Ų6486.7 Ų86.745%0.44845%0.449SS..  trans-78.3123.1176.362.80000109.6H29 R33H29-S31 PolarHBondContact O-N 3.27Å; S31-R33 PolarHBondContact O-N 3.18Å
32N49.4Very low63.5Low142 Ų14287.7 Ų87.776%0.75946%0.456SS*.  trans-69.972.9-175.6-165.9106.7000112.1
33R42.8Very low61.6Low186 Ų18694 Ų9470%0.70247%0.474SS*.  trans-102.6140.5172.6-73.6-173.9168-169.1-3109.8S31 D35S31-R33 PolarHBondContact O-N 3.18Å; R33-D35 PolarHBondContact O-N 2.95Å
34E40.8Very low60Low194 Ų19491.2 Ų91.291%0.90746%0.462SS*.  trans-89.539-178.8-58166.2136.500110.3
35D37.3Very low58.1Low108 Ų10893.9 Ų93.958%0.57848%0.476SS*.  trans-90.6126.5175.6-70.5-54.2000108.1R33 D37R33-D35 PolarHBondContact O-N 2.95Å; D35-D37 PolarHBondContact O-N 2.89Å
36D39.1Very low56.3Low175 Ų175102.6 Ų102.694%0.93651%0.514SS*.SBendtrans-79.527.7-161.9-150.823.2000114.3
37D38.7Very low54.4Low143 Ų143109 Ų10977%0.76554%0.542SS*.SBendtrans-105.2124174-72.7-53.5000108.4D35 E39D35-D37 PolarHBondContact O-N 2.89Å; D37-E39 PolarHBondContact O-N 3.49Å
38E42.9Very low52.8Low187 Ų187107.2 Ų107.287%0.87453%0.531SS*.  trans-62.8112174.4-70.2-162.8-161.200110.2D40E38-D40 PolarHBondContact O-N 2.88Å
39E45.9Very low51.6Low121 Ų121108.4 Ų108.457%0.56554%0.535SS*.  trans-68.663.9172.1-74.1-161149.300111.1D37 L41D37-E39 PolarHBondContact O-N 3.49Å; E39-L41 PolarHBondContact O-N 2.86Å
40D50.6Low50.7Low51 Ų51112 Ų11227%0.27356%0.557SS.*  trans-60.1134.9171178.425.1000109.7E38 S42 H43 R124 Q126E38-D40 PolarHBondContact O-N 2.88Å; D40-S42 PolarHBondContact O-N 3.41Å; D40-S42 WeakPolarHBondContact OD2-CB 3.41Å; D40-S42 PolarHBondContact OD2-OG 3.32Å; D40-H43 PolarHBondContact O-N 3.06Å; D40-R124 IonicContact OD1-CZ 2.69Å; D40-R124 IonicContact OD1-NH2 3.95Å; D40-R124 PolarHBondContact OD1-NH2 3.28Å; D40-R124 IonicContact OD2-NH2 2.65Å; D40-R124 PolarHBondContact OD2-NH2 3.46Å; D40-Q126 PolarHBondContact OD1-NE2 2.59Å; D40-Q126 PolarHBondContact OD1-OE1 3.4Å
41L56.8Low50.9Low8 Ų8111.4 Ų111.44%0.04256%0.556CS.*G310 helixtrans-61.1-9.8-177.3-61.4175.4000113L30 E39 H43 S44 M83 Q126 V155L30-L41 HydrophobicContact CD2-CD2 4.44Å; E39-L41 PolarHBondContact O-N 2.86Å; L41-H43 VanDerWaalsContact C-N 3.3Å; L41-H43 PolarHBondContact O-N 3.24Å; L41-S44 WeakPolarHBondContact O-CB 3.47Å; L41-S44 PolarHBondContact O-N 2.9Å; L41-S44 PolarHBondContact O-OG 3.04Å; L41-M83 HydrophobicContact CB-CB 4.24Å; L41-M83 HydrophobicContact CB-CE 4.42Å; L41-M83 HydrophobicContact CD1-CB 3.66Å; L41-Q126 HydrophobicContact CD1-CG 4.49Å; L41-V155 HydrophobicContact CB-CG1 4.26Å; L41-V155 HydrophobicContact CD1-CG1 4.4Å; L41-V155 HydrophobicContact CD2-CG1 4.1Å; L41-V155 HydrophobicContact CG-CG1 4.49Å
42S50.5Low52.2Low28 Ų28111 Ų11120%0.19656%0.557CS.*G310 helixtrans-62-27168.458.90000114.1D40 S44 D45 R124D40-S42 PolarHBondContact O-N 3.41Å; D40-S42 WeakPolarHBondContact OD2-CB 3.41Å; D40-S42 PolarHBondContact OD2-OG 3.32Å; S42-S44 PolarHBondContact O-N 2.89Å; S42-D45 WeakPolarHBondContact CA-OD1 3.35Å; S42-D45 WeakPolarHBondContact O-CB 3.49Å; S42-D45 PolarHBondContact O-N 3.19Å; S42-D45 VanDerWaalsContact O-OD2 3.09Å; S42-R124 VanDerWaalsContact N-NH2 3.19Å
43H46.3Very low54.1Low174 Ų174106 Ų10681%0.80653%0.532SS*.G310 helixtrans-67.2-9.4177.6-82-63.5000113.7D40 L41D40-H43 PolarHBondContact O-N 3.06Å; L41-H43 VanDerWaalsContact C-N 3.3Å; L41-H43 PolarHBondContact O-N 3.24Å
44S53.6Low56.5Low35 Ų3597.1 Ų97.125%0.24550%0.498CS..G310 helixtrans-80.2-6.3167.775.70000115.1L41 S42 K46 R153L41-S44 WeakPolarHBondContact O-CB 3.47Å; L41-S44 PolarHBondContact O-N 2.9Å; L41-S44 PolarHBondContact O-OG 3.04Å; S42-S44 PolarHBondContact O-N 2.89Å; S44-K46 VanDerWaalsContact C-N 3.29Å; S44-K46 PolarHBondContact O-N 2.8Å; S44-R153 PolarHBondContact O-NH2 3.07Å; S44-R153 PolarHBondContact OG-NH2 2.93Å
45D51.2Low58.9Low55 Ų5589.5 Ų89.529%0.29446%0.464SS..G310 helixtrans-55-32.3-156.4-80.4-13.8000115.9S42 E47 R153S42-D45 WeakPolarHBondContact CA-OD1 3.35Å; S42-D45 WeakPolarHBondContact O-CB 3.49Å; S42-D45 PolarHBondContact O-N 3.19Å; S42-D45 VanDerWaalsContact O-OD2 3.09Å; D45-E47 PolarHBondContact O-N 3.25Å; D45-R153 VanDerWaalsContact CA-NH2 3.27Å; D45-R153 PolarHBondContact O-NH1 3.05Å; D45-R153 IonicContact OD1-CZ 2.69Å
46K52.2Low61.6Low204 Ų20484.3 Ų84.389%0.88744%0.436SS*.G310 helixtrans-82.6-9.5-157.8-64-176.6-179.7175.40118.2S44S44-K46 VanDerWaalsContact C-N 3.29Å; S44-K46 PolarHBondContact O-N 2.8Å
47E50.9Low64.2Low178 Ų17879.8 Ų79.883%0.83241%0.409SS*.G310 helixtrans-107.8-15.9-169.5-159.8161.7-154.400115.2D45D45-E47 PolarHBondContact O-N 3.25Å
48T54.4Low66.8Low14 Ų1475.5 Ų75.59%0.08639%0.385CS..THydrogen-bonded Turntrans-109.4-0.8174.748.50000114.6L26 D50 V51 R152 R153L26-T48 HydrophobicContact CD1-CG2 3.72Å; L26-T48 VanDerWaalsContact CD1-OG1 3.3Å; L26-T48 WeakPolarHBondContact CD1-OG1 3.49Å; L26-T48 HydrophobicContact CD2-CG2 3.74Å; L26-T48 HydrophobicContact CG-CG2 3.77Å; T48-D50 PolarHBondContact O-N 3.11Å; T48-D50 VanDerWaalsContact O-N 3.16Å; T48-V51 HydrophobicContact CG2-CG2 4.41Å; T48-V51 WeakPolarHBondContact O-CB 3.45Å; T48-V51 PolarHBondContact O-N 2.92Å; T48-R152 PolarHBondContact O-NH1 2.89Å; T48-R153 PolarHBondContact OG1-NH1 3.44Å; T48-R153 VanDerWaalsContact OG1-NH1 3.12Å; T48-R153 PolarHBondContact OG1-NH2 2.98Å
49D61.4Low68.9Low68 Ų6871.7 Ų71.736%0.36437%0.374SS..THydrogen-bonded Turntrans-69.2-9.4176.6-84.520.4000113R152 R153D49-R152 PolarHBondContact O-NH1 2.94Å; D49-R152 PolarHBondContact O-NH2 3.05Å; D49-R153 IonicContact OD1-NH1 3.07Å; D49-R153 PolarHBondContact OD1-NH1 3.36Å
50D67.1Low71Confident165 Ų16572.8 Ų72.888%0.88238%0.379SS*.THydrogen-bonded Turntrans-85.6-11.1167.8-77.7-23000114.1T48T48-D50 PolarHBondContact O-N 3.11Å; T48-D50 VanDerWaalsContact O-N 3.16Å
51V78.3Confident72.8Confident39 Ų3979.5 Ų79.524%0.23641%0.409CS..SBendtrans-80.6129.5-178.2-173.80000110.9D23 I24 T48 R152D23-V51 HydrophobicContact CB-CG1 4.29Å; I24-V51 HydrophobicContact CG2-CB 4.36Å; I24-V51 HydrophobicContact CG2-CG1 3.68Å; T48-V51 HydrophobicContact CG2-CG2 4.41Å; T48-V51 WeakPolarHBondContact O-CB 3.45Å; T48-V51 PolarHBondContact O-N 2.92Å; V51-R152 PolarHBondContact O-NH1 3.24Å
52A85.6Confident74.2Confident56 Ų5682.3 Ų82.346%0.46344%0.439SS..PPolyproline II helixtrans-63.8143.8177.800000111.9P19P19-A52 HydrophobicContact CG-CB 4.15Å; P19-A52 WeakPolarHBondContact CG-O 3.19Å
53P89.7Confident76.1Confident36 Ų3682.1 Ų82.123%0.23444%0.438CS..PPolyproline II helixtrans-65.3140.9179.824.8-32.3000112.5F122 L150 I151P53-F122 HydrophobicContact CB-CZ 4.29Å; P53-L150 HydrophobicContact CB-CB 4.34Å; P53-L150 HydrophobicContact CB-CD2 4.17Å; P53-L150 HydrophobicContact CG-CD1 4.39Å; P53-L150 HydrophobicContact CG-CD2 4.32Å; P53-I151 CarbonylContact C-O 3.5Å; P53-I151 VanDerWaalsContact CA-O 3.32Å; P53-I151 WeakPolarHBondContact CA-O 3.29Å; P53-I151 WeakPolarHBondContact CB-O 3.38Å
54V92.1Very high78.3Confident1 Ų177.2 Ų77.21%0.00642%0.422CS..EExtended strand (participates in β ladder)trans-79.4127.6174.9-178.30000109.3P19 Q20 L21 I24 L56 L150 I151P19-V54 HydrophobicContact CB-CG2 4.16Å; P19-V54 HydrophobicContact CG-CG2 4.26Å; Q20-V54 WeakPolarHBondContact O-CG2 3.46Å; L21-V54 HydrophobicContact CD1-CG1 4.46Å; I24-V54 HydrophobicContact CD1-CB 4.07Å; I24-V54 HydrophobicContact CD1-CG2 3.66Å; I24-V54 HydrophobicContact CG1-CG2 3.81Å; I24-V54 HydrophobicContact CG2-CG2 3.94Å; V54-L56 HydrophobicContact CG1-CD2 4.16Å; V54-L150 WeakPolarHBondContact O-CA 3.33Å; V54-I151 PolarHBondContact N-O 3.3Å; V54-I151 PolarHBondContact O-N 2.88Å
55L92.6Very high80.3Confident33 Ų3375.7 Ų75.717%0.17341%0.411CS..EExtended strand (participates in β ladder)trans-93.9122.2172.4-178.255.3000110.2E57 L150L55-E57 HydrophobicContact CG-CG 4.2Å; L55-L150 HydrophobicContact CB-CD2 3.74Å; L55-L150 HydrophobicContact CD1-CD2 3.85Å; L55-L150 HydrophobicContact CD1-CG 4.29Å; L55-L150 HydrophobicContact CG-CD2 4.31Å
56L93.7Very high82.4Confident0 Ų073.8 Ų73.80%040%0.402CS..EExtended strand (participates in β ladder)trans-102.9133.9169.5-60.3-172.2000110.5A10 W12 V13 C14 V54 L67 S148 V149 I151A10-L56 HydrophobicContact CB-CD1 3.81Å; A10-L56 HydrophobicContact CB-CD2 4.17Å; W12-L56 HydrophobicContact CB-CB 3.91Å; W12-L56 HydrophobicContact CB-CD1 4.48Å; W12-L56 HydrophobicContact CE3-CB 4.36Å; V13-L56 WeakPolarHBondContact O-CA 3.33Å; C14-L56 HydrophobicContact CB-CD2 4.33Å; C14-L56 WeakPolarHBondContact SG-CD2 3.43Å; V54-L56 HydrophobicContact CG1-CD2 4.16Å; L56-L67 HydrophobicContact CD1-CD2 3.55Å; L56-S148 CarbonylContact O-C 3.55Å; L56-S148 WeakPolarHBondContact O-CA 3.49Å; L56-S148 VanDerWaalsContact O-CB 3.28Å; L56-S148 WeakPolarHBondContact O-CB 3.5Å; L56-V149 HydrophobicContact CB-CG1 4.06Å; L56-V149 PolarHBondContact N-O 3.13Å; L56-V149 PolarHBondContact O-N 3.04Å; L56-I151 HydrophobicContact CD1-CD1 3.51Å; L56-I151 HydrophobicContact CD1-CG1 4.48Å; L56-I151 HydrophobicContact CG-CD1 4.09Å
57E93.3Very high84.5Confident79 Ų7964.1 Ų64.137%0.36936%0.359SS..EExtended strand (participates in β ladder)trans-120.4137.4179.4-65.1179.6176.600111.5W12 V13 Q15 L55 V59W12-E57 WeakPolarHBondContact CB-O 3.41Å; V13-E57 PolarHBondContact N-O 2.77Å; V13-E57 PolarHBondContact O-N 2.93Å; Q15-E57 PolarHBondContact NE2-OE1 2.82Å; L55-E57 HydrophobicContact CG-CG 4.2Å; E57-V59 PolarHBondContact O-N 3.14Å
58Q93.6Very high86.6Confident54 Ų5458.2 Ų58.225%0.25234%0.336SS..  trans-73122.9-178.6-174.517448.200110.9W12 E60 S63 S147W12-Q58 HydrophobicContact CD2-CB 3.91Å; W12-Q58 HydrophobicContact CD2-CG 4.47Å; W12-Q58 HydrophobicContact CE3-CB 4.26Å; W12-Q58 HydrophobicContact CG-CB 4.47Å; W12-Q58 HydrophobicContact CH2-CB 4.07Å; W12-Q58 HydrophobicContact CZ2-CB 3.7Å; W12-Q58 HydrophobicContact CZ2-CG 3.77Å; W12-Q58 HydrophobicContact CZ3-CB 4.34Å; Q58-E60 WeakPolarHBondContact CG-O 3.33Å; Q58-E60 PolarHBondContact NE2-O 3.05Å; Q58-S63 WeakPolarHBondContact CG-OG 3.43Å; Q58-S63 PolarHBondContact NE2-O 2.69Å; Q58-S147 VanDerWaalsContact CB-O 3.25Å; Q58-S147 WeakPolarHBondContact CB-O 3.38Å; Q58-S147 PolarHBondContact N-O 2.72Å
59V88Confident88.5Confident107 Ų10757.6 Ų57.665%0.64833%0.332SS*.SBendtrans-86.3-39.9179.9-173.40000112.1V13 E57V13-V59 HydrophobicContact CB-CG2 3.9Å; V13-V59 HydrophobicContact CG2-CG2 3.38Å; E57-V59 PolarHBondContact O-N 3.14Å
60E89.3Confident89.9Confident143 Ų14356.1 Ų56.167%0.66833%0.327SS*.SBendtrans-118.7129.8-178179.9173.7-153.600109.9Q58 G62 S63Q58-E60 WeakPolarHBondContact CG-O 3.33Å; Q58-E60 PolarHBondContact NE2-O 3.05Å; E60-G62 PolarHBondContact O-N 3.46Å; E60-S63 VanDerWaalsContact O-CB 3.27Å; E60-S63 WeakPolarHBondContact O-CB 3.36Å; E60-S63 PolarHBondContact O-N 2.94Å; E60-S63 PolarHBondContact O-OG 3.41Å
61E89Confident90.9Very high192 Ų19249 Ų4990%0.89729%0.29SS*.THydrogen-bonded Turntrans-59.7126.6-176.3-171.9175.5-178.500111.4S63E61-S63 VanDerWaalsContact C-N 3.29Å; E61-S63 PolarHBondContact O-N 2.9Å
62G84.8Confident91.1Very high67 Ų6753 Ų5369%0.69130%0.301SS*.THydrogen-bonded Turntrans82-7-177.300000115.5E60E60-G62 PolarHBondContact O-N 3.46Å
63S91Very high90.1Very high25 Ų2558 Ų5818%0.17533%0.325CS..  trans-62.8134.7175.161.80000111.6W12 Q58 E60 E61W12-S63 WeakPolarHBondContact CZ2-O 3.45Å; W12-S63 PolarHBondContact NE1-O 3.34Å; W12-S63 PolarHBondContact NE1-OG 3.09Å; Q58-S63 WeakPolarHBondContact CG-OG 3.43Å; Q58-S63 PolarHBondContact NE2-O 2.69Å; E60-S63 VanDerWaalsContact O-CB 3.27Å; E60-S63 WeakPolarHBondContact O-CB 3.36Å; E60-S63 PolarHBondContact O-N 2.94Å; E60-S63 PolarHBondContact O-OG 3.41Å; E61-S63 VanDerWaalsContact C-N 3.29Å; E61-S63 PolarHBondContact O-N 2.9Å
64P92.8Very high88.6Confident70 Ų7061.1 Ų61.146%0.45535%0.354SS..  trans-72.9143.7-178.229.6-34.7000111.9W12 V66W12-P64 PolarHBondContact NE1-O 3.36Å; P64-V66 HydrophobicContact CB-CG2 4.1Å; P64-V66 HydrophobicContact CG-CG2 4.01Å; P64-V66 PolarHBondContact O-N 3.48Å
65C95.1Very high87.3Confident3 Ų362.3 Ų62.32%0.0236%0.362CS..EExtended strand (participates in β ladder)trans-75.491.4171.5-178.30000110.1W12 L140 L143 V149W12-C65 HydrophobicContact CD2-CB 3.64Å; W12-C65 HydrophobicContact CE3-CB 3.81Å; W12-C65 HydrophobicContact CG-CB 4.21Å; W12-C65 HydrophobicContact CH2-CB 4.08Å; W12-C65 HydrophobicContact CZ2-CB 3.89Å; W12-C65 HydrophobicContact CZ3-CB 4.02Å; C65-L140 HydrophobicContact CB-CB 4.2Å; C65-L140 PolarHBondContact O-N 2.85Å; C65-L143 HydrophobicContact CB-CD1 4.02Å; C65-V149 VanDerWaalsContact SG-CG1 3.59Å
66V96.1Very high86.5Confident16 Ų1663.2 Ų63.210%0.09737%0.372CS..EExtended strand (participates in β ladder)trans-103.7138.6176.5-176.20000110.5A10 A11 P64 E137 K139A10-V66 CarbonylContact C-O 3.54Å; A10-V66 VanDerWaalsContact CA-O 3.26Å; A10-V66 WeakPolarHBondContact CA-O 3.47Å; A11-V66 HydrophobicContact CB-CB 4.19Å; A11-V66 PolarHBondContact N-O 3.38Å; P64-V66 HydrophobicContact CB-CG2 4.1Å; P64-V66 HydrophobicContact CG-CG2 4.01Å; P64-V66 PolarHBondContact O-N 3.48Å; V66-E137 HydrophobicContact CG1-CB 3.91Å; V66-E137 HydrophobicContact CG1-CG 4.43Å; V66-K139 HydrophobicContact CG2-CB 4.24Å; V66-K139 HydrophobicContact CG2-CG 4.21Å
67L96.1Very high86.1Confident0 Ų063.5 Ų63.50%037%0.374CS..EExtended strand (participates in β ladder)trans-109.1130.2169.3-43.7176000108.5G9 A10 L21 L56 E137 V138 L140 I151 I154G9-L67 CarbonylContact O-C 3.5Å; G9-L67 WeakPolarHBondContact O-CA 3.28Å; A10-L67 HydrophobicContact CB-CD2 3.9Å; L21-L67 HydrophobicContact CD1-CD2 4.49Å; L21-L67 HydrophobicContact CD2-CD2 4.28Å; L56-L67 HydrophobicContact CD1-CD2 3.55Å; L67-E137 CarbonylContact O-C 3.6Å; L67-E137 VanDerWaalsContact O-CA 3.32Å; L67-E137 WeakPolarHBondContact O-CA 3.24Å; L67-V138 HydrophobicContact CB-CB 4.31Å; L67-V138 PolarHBondContact N-O 3.05Å; L67-V138 PolarHBondContact O-N 2.89Å; L67-L140 HydrophobicContact CD1-CD1 4.23Å; L67-L140 HydrophobicContact CD1-CG 4.36Å; L67-I151 HydrophobicContact CD1-CD1 3.82Å; L67-I151 HydrophobicContact CD2-CD1 3.61Å; L67-I151 HydrophobicContact CG-CD1 4.33Å; L67-I154 HydrophobicContact CD1-CD1 4.02Å
68T94.9Very high85.9Confident55 Ų5560 Ų6034%0.33736%0.358SS..EExtended strand (participates in β ladder)trans-105.7123.6176.8-46.90000108.7S8 G9 E137S8-T68 CarbonylContact C-O 3.53Å; S8-T68 WeakPolarHBondContact CA-O 3.27Å; G9-T68 PolarHBondContact N-O 3.42Å; G9-T68 PolarHBondContact O-N 3.2Å; T68-E137 HydrophobicContact CG2-CG 4.37Å; T68-E137 WeakPolarHBondContact CG2-OE1 3.28Å; T68-E137 PolarHBondContact OG1-OE1 2.99Å
69L94.1Very high85.8Confident1 Ų157.4 Ų57.41%0.00535%0.346CS..EExtended strand (participates in β ladder)trans-116.9133.5-180-59.5176.1000109.5K7 L25 L82 A135 C136 V138 I154 V156K7-L69 WeakPolarHBondContact O-CA 3.48Å; L25-L69 HydrophobicContact CD1-CD2 4.12Å; L69-L82 HydrophobicContact CD1-CD2 3.58Å; L69-A135 CarbonylContact O-C 3.56Å; L69-A135 WeakPolarHBondContact O-CA 3.37Å; L69-A135 WeakPolarHBondContact O-CB 3.34Å; L69-C136 PolarHBondContact N-O 3.14Å; L69-C136 PolarHBondContact O-N 3.07Å; L69-V138 HydrophobicContact CD1-CG2 4.09Å; L69-I154 HydrophobicContact CD1-CG2 4.15Å; L69-I154 HydrophobicContact CD2-CG2 4.36Å; L69-V156 HydrophobicContact CD1-CG2 4.11Å
70S91.5Very high86Confident37 Ų3752.8 Ų52.826%0.25932%0.319SS..EExtended strand (participates in β ladder)trans-146.9132.7-178.452.80000113.6K7K7-S70 PolarHBondContact N-O 3.06Å; K7-S70 PolarHBondContact O-N 3.18Å
71C88.4Confident86.2Confident14 Ų1446.3 Ų46.310%0.09529%0.289CS..EExtended strand (participates in β ladder)trans-67.5146.8167.9-63.70000110A77 S134C71-A77 PolarHBondContact SG-O 2.89Å; C71-S134 PolarHBondContact N-O 3.43Å
72R81.3Confident86.5Confident125 Ų12537.1 Ų37.147%0.47225%0.246SC..  trans-67.6139.5173.2-82.1167.7-173.3-1681.4110.1G5 A74 S75G5-R72 WeakPolarHBondContact O-CD 3.31Å; G5-R72 WeakPolarHBondContact O-CG 3.27Å; G5-R72 PolarHBondContact O-NE 2.77Å; R72-A74 PolarHBondContact O-N 2.93Å; R72-S75 PolarHBondContact O-N 3.15Å; R72-S75 PolarHBondContact O-OG 3.13Å
73T64.1Low87Confident160 Ų16034 Ų3498%0.98221%0.214SC*.THydrogen-bonded Turntrans-63.21.9-17853.20000116
74A58.8Low87.2Confident101 Ų10132.8 Ų32.884%0.83521%0.205SC*.THydrogen-bonded Turntrans-105.3-4.8174.900000113.5R72R72-A74 PolarHBondContact O-N 2.93Å
75S64.9Low87.3Confident26 Ų2629.7 Ų29.718%0.18219%0.185CC..  trans-101.2140.6177.958.50000112.2R72 A77R72-S75 PolarHBondContact O-N 3.15Å; R72-S75 PolarHBondContact O-OG 3.13Å; S75-A77 PolarHBondContact O-N 3.38Å
76S75.3Confident87.2Confident52 Ų5229.5 Ų29.536%0.36418%0.184SC..  trans-68.42.716834.60000114.2E160 L161S76-E160 WeakPolarHBondContact CB-OE1 3.13Å; S76-E160 PolarHBondContact OG-OE1 3.35Å; S76-L161 WeakPolarHBondContact O-CA 3.33Å; S76-L161 WeakPolarHBondContact O-CB 3.47Å; S76-L161 PolarHBondContact O-N 2.76Å
77A84.9Confident87.1Confident6 Ų628.9 Ų28.95%0.0518%0.18CC..EExtended strand (participates in β ladder)trans-87141.7-174.800000114.3I4 C71 S75 L158 Q159I4-A77 HydrophobicContact CD1-CB 3.81Å; I4-A77 HydrophobicContact CG2-CB 3.67Å; C71-A77 PolarHBondContact SG-O 2.89Å; S75-A77 PolarHBondContact O-N 3.38Å; A77-L158 HydrophobicContact CB-CB 4.32Å; A77-L158 HydrophobicContact CB-CD2 4.35Å; A77-Q159 WeakPolarHBondContact CA-O 3.15Å
78S89.7Confident87.1Confident6 Ų628.9 Ų28.94%0.04218%0.18CC..EExtended strand (participates in β ladder)trans-113147.9163.345.90000110.2S80 P132 L158 Q159S78-S80 PolarHBondContact O-N 2.71Å; S78-P132 VanDerWaalsContact OG-CB 3.32Å; S78-P132 WeakPolarHBondContact OG-CB 3.49Å; S78-L158 WeakPolarHBondContact O-CA 3.27Å; S78-Q159 PolarHBondContact N-O 3.29Å; S78-Q159 PolarHBondContact O-N 3.21Å; S78-Q159 PolarHBondContact OG-O 3.32Å
79V91.6Very high87Confident0 Ų029.9 Ų29.90%018%0.177CC..EExtended strand (participates in β ladder)trans-68.1120.1166.6-1790000107.9L82 L129 P132 S133 V156 G157 L158V79-L82 HydrophobicContact CG1-CD2 3.76Å; V79-L82 HydrophobicContact CG1-CG 3.95Å; V79-L129 HydrophobicContact CB-CD1 4.48Å; V79-L129 HydrophobicContact CG1-CD1 3.97Å; V79-P132 CarbonylContact O-C 3.57Å; V79-P132 WeakPolarHBondContact O-CA 3.44Å; V79-P132 WeakPolarHBondContact O-CB 3.42Å; V79-S133 PolarHBondContact N-O 2.95Å; V79-S133 PolarHBondContact O-N 2.86Å; V79-V156 HydrophobicContact CB-CG1 4.27Å; V79-V156 HydrophobicContact CG1-CG1 3.82Å; V79-V156 HydrophobicContact CG2-CG1 3.67Å; V79-G157 WeakPolarHBondContact CA-O 3.44Å; V79-L158 HydrophobicContact CG2-CD2 4.25Å
80S92.3Very high87.2Confident10 Ų1030.6 Ų30.67%0.0718%0.182CC..EExtended strand (participates in β ladder)trans-110.3-23.5176.355.60000112.7S78 L129 G157S78-S80 PolarHBondContact O-N 2.71Å; S80-L129 PolarHBondContact O-N 2.8Å; S80-G157 PolarHBondContact N-O 2.86Å; S80-G157 PolarHBondContact OG-O 2.86Å
81S93.4Very high87.4Confident6 Ų628.9 Ų28.94%0.04217%0.17CC..EExtended strand (participates in β ladder)trans-150162.6172.567.20000112.5L127 G157S81-L127 CarbonylContact C-O 3.53Å; S81-L127 VanDerWaalsContact CA-O 3.27Å; S81-L127 WeakPolarHBondContact CA-O 3.5Å; S81-L127 WeakPolarHBondContact CB-O 3.49Å; S81-G157 PolarHBondContact N-O 2.86Å; S81-G157 PolarHBondContact O-N 2.91Å; S81-G157 WeakPolarHBondContact OG-CA 3.45Å
82L94.7Very high87.9Confident0 Ų030 Ų300%017%0.173CC..EExtended strand (participates in β ladder)trans-139.6138.3-177-69171.2000109.7L69 V79 V93 Q126 L127 V138 V155 V156L69-L82 HydrophobicContact CD1-CD2 3.58Å; V79-L82 HydrophobicContact CG1-CD2 3.76Å; V79-L82 HydrophobicContact CG1-CG 3.95Å; L82-V93 HydrophobicContact CD1-CG1 3.79Å; L82-V93 HydrophobicContact CD1-CG2 4.15Å; L82-Q126 CarbonylContact O-C 3.53Å; L82-Q126 VanDerWaalsContact O-CA 3.27Å; L82-Q126 WeakPolarHBondContact O-CA 3.21Å; L82-L127 PolarHBondContact N-O 3.21Å; L82-L127 PolarHBondContact O-N 3.2Å; L82-V138 HydrophobicContact CD1-CG2 3.77Å; L82-V155 WeakPolarHBondContact CA-O 3.49Å; L82-V156 HydrophobicContact CD2-CB 4.43Å; L82-V156 HydrophobicContact CD2-CG1 4.19Å; L82-V156 HydrophobicContact CD2-CG2 4.03Å
83M95Very high88.7Confident1 Ų124 Ų241%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-130.5133.4163.2175.1-86.8-86.700110.3L41 V85 R124 K125 Q126 I154 V155L41-M83 HydrophobicContact CB-CB 4.24Å; L41-M83 HydrophobicContact CB-CE 4.42Å; L41-M83 HydrophobicContact CD1-CB 3.66Å; M83-V85 HydrophobicContact SD-CG2 3.85Å; M83-R124 HydrophobicContact CG-CG 4.02Å; M83-R124 HydrophobicContact SD-CG 4.22Å; M83-K125 CarbonylContact C-O 3.57Å; M83-K125 WeakPolarHBondContact CA-O 3.37Å; M83-K125 WeakPolarHBondContact CG-O 3.43Å; M83-Q126 HydrophobicContact CB-CB 4.26Å; M83-Q126 HydrophobicContact CB-CG 4.32Å; M83-Q126 HydrophobicContact CG-CB 4.36Å; M83-I154 CarbonylContact O-C 3.53Å; M83-I154 WeakPolarHBondContact O-CA 3.27Å; M83-V155 HydrophobicContact CB-CB 4.29Å; M83-V155 HydrophobicContact CE-CB 4.16Å; M83-V155 HydrophobicContact CE-CG2 3.46Å; M83-V155 VanDerWaalsContact CE-CG2 3.46Å; M83-V155 PolarHBondContact N-O 2.89Å; M83-V155 PolarHBondContact O-N 3.16Å; M83-V155 HydrophobicContact SD-CG2 4.06Å
84V95.4Very high90.2Very high0 Ų019 Ų190%011%0.114CC..EExtended strand (participates in β ladder)trans-133.3122-176.6-178.90000110.3M91 K125 V138 L140 I151 I154V84-M91 HydrophobicContact CB-SD 4.12Å; V84-M91 HydrophobicContact CG2-SD 4.11Å; V84-K125 PolarHBondContact N-O 3.08Å; V84-K125 WeakPolarHBondContact O-CE 3.3Å; V84-K125 PolarHBondContact O-N 2.84Å; V84-K125 PolarHBondContact O-NZ 2.87Å; V84-V138 HydrophobicContact CG2-CG1 4.46Å; V84-L140 HydrophobicContact CG1-CD2 4.44Å; V84-I151 HydrophobicContact CG1-CG2 4.36Å; V84-I154 HydrophobicContact CG2-CG2 4.4Å
85V94.6Very high91.8Very high4 Ų415.3 Ų15.32%0.0248%0.081CC..EExtended strand (participates in β ladder)trans-99.5115.5170.4-177.40000108.8M83 E109 I112 F122 R124 R152 R153M83-V85 HydrophobicContact SD-CG2 3.85Å; V85-E109 WeakPolarHBondContact CG1-OE2 3.31Å; V85-E109 VanDerWaalsContact CG2-OE2 3.27Å; V85-E109 WeakPolarHBondContact CG2-OE2 3.43Å; V85-I112 HydrophobicContact CG1-CD1 3.78Å; V85-F122 HydrophobicContact CG1-CB 3.92Å; V85-F122 HydrophobicContact CG1-CD1 4.04Å; V85-F122 HydrophobicContact CG1-CG 4.32Å; V85-R124 HydrophobicContact CG2-CB 4.4Å; V85-R124 HydrophobicContact CG2-CG 4.27Å; V85-R152 HydrophobicContact CB-CB 4.11Å; V85-R152 HydrophobicContact CG1-CB 3.77Å; V85-R152 HydrophobicContact CG1-CG 4.44Å; V85-R152 PolarHBondContact O-N 2.93Å; V85-R153 HydrophobicContact CB-CB 3.93Å; V85-R153 HydrophobicContact CG2-CB 4.01Å; V85-R153 PolarHBondContact N-O 2.85Å; V85-R153 PolarHBondContact O-N 2.84Å
86S94.5Very high93Very high0 Ų019.8 Ų19.80%010%0.098CC..EExtended strand (participates in β ladder)trans-160.8161.717960.20000110.9A88 Y123 K125 L150S86-A88 PolarHBondContact O-N 3.01Å; S86-A88 VanDerWaalsContact O-N 3.12Å; S86-Y123 PolarHBondContact N-O 3.42Å; S86-Y123 PolarHBondContact O-N 3.34Å; S86-K125 PolarHBondContact O-NZ 2.99Å; S86-K125 VanDerWaalsContact O-NZ 3.15Å; S86-K125 WeakPolarHBondContact OG-CE 3.39Å; S86-K125 PolarHBondContact OG-NZ 3.46Å; S86-L150 VanDerWaalsContact CA-O 3.31Å; S86-L150 WeakPolarHBondContact CA-O 3.41Å; S86-L150 VanDerWaalsContact CB-O 3.26Å; S86-L150 WeakPolarHBondContact CB-O 3.26Å
87E93.7Very high93.6Very high3 Ų323.4 Ų23.41%0.01411%0.113CC..SBendtrans-65.6-10.8177.2-49.916713000113.4R89 R119 F122 R146 V149 L150E87-R89 PolarHBondContact O-N 3.01Å; E87-R119 WeakPolarHBondContact OE1-CB 3.4Å; E87-R119 VanDerWaalsContact OE1-CD 3.24Å; E87-R119 WeakPolarHBondContact OE1-CD 3.32Å; E87-R119 WeakPolarHBondContact OE1-CG 3.45Å; E87-R119 IonicContact OE1-CZ 3.29Å; E87-R119 IonicContact OE1-NE 3.95Å; E87-R119 IonicContact OE1-NH1 3.15Å; E87-R119 PolarHBondContact OE1-NH1 3.45Å; E87-R119 IonicContact OE2-NH1 2.66Å; E87-R119 PolarHBondContact OE2-NH1 2.83Å; E87-F122 HydrophobicContact CG-CD1 4.46Å; E87-F122 HydrophobicContact CG-CE1 4.2Å; E87-F122 HydrophobicContact CG-CZ 4.37Å; E87-R146 IonicContact OE1-NH1 2.66Å; E87-R146 PolarHBondContact OE1-NH1 3.07Å; E87-R146 IonicContact OE2-CZ 3.73Å; E87-R146 IonicContact OE2-NH1 3.24Å; E87-R146 PolarHBondContact OE2-NH1 3.13Å; E87-R146 IonicContact OE2-NH2 3.87Å; E87-V149 HydrophobicContact CB-CG2 4.28Å; E87-V149 WeakPolarHBondContact OE2-CA 3.27Å; E87-L150 HydrophobicContact CG-CB 3.99Å; E87-L150 PolarHBondContact N-O 3.4Å; E87-L150 VanDerWaalsContact N-O 3.16Å; E87-L150 PolarHBondContact OE2-N 2.94Å
88A95Very high94Very high0 Ų031.2 Ų31.20%015%0.149CC..  trans-69.9115.4173.800000109.8S86 T90 K125 L140 L141 L143 V149S86-A88 PolarHBondContact O-N 3.01Å; S86-A88 VanDerWaalsContact O-N 3.12Å; A88-T90 PolarHBondContact O-N 2.87Å; A88-K125 WeakPolarHBondContact O-CD 3.4Å; A88-K125 WeakPolarHBondContact O-CE 3.49Å; A88-K125 PolarHBondContact O-NZ 2.83Å; A88-L140 HydrophobicContact CB-CB 3.76Å; A88-L140 HydrophobicContact CB-CD1 4.25Å; A88-L140 HydrophobicContact CB-CD2 4.09Å; A88-L140 HydrophobicContact CB-CG 4.26Å; A88-L141 WeakPolarHBondContact CA-O 3.41Å; A88-L141 WeakPolarHBondContact CB-O 3.27Å; A88-L143 HydrophobicContact CB-CD2 3.71Å; A88-V149 HydrophobicContact CB-CG2 4.46Å
89R94.4Very high94.2Very high76 Ų7636.2 Ų36.229%0.28717%0.171SC..SBendtrans-69.6-17.8-179.1-168.7169.8-174.4-178.92.7113.2E87 R105 G106 Y123 E354E87-R89 PolarHBondContact O-N 3.01Å; R89-R105 CarbonylContact O-C 3.6Å; R89-R105 WeakPolarHBondContact O-CA 3.32Å; R89-G106 PolarHBondContact O-N 3.48Å; R89-Y123 HydrophobicContact CB-CD1 4.45Å; R89-Y123 HydrophobicContact CB-CD2 3.92Å; R89-Y123 HydrophobicContact CB-CE1 4.34Å; R89-Y123 HydrophobicContact CB-CE2 3.77Å; R89-Y123 HydrophobicContact CB-CG 4.27Å; R89-Y123 HydrophobicContact CG-CD1 3.93Å; R89-Y123 HydrophobicContact CG-CD2 4.3Å; R89-Y123 HydrophobicContact CG-CE1 3.75Å; R89-Y123 HydrophobicContact CG-CE2 4.11Å; R89-Y123 HydrophobicContact CG-CG 4.22Å; R89-E354 IonicContact NH2-OE1 2.86Å
90T96.6Very high94.4Very high16 Ų1642.5 Ų42.510%0.09820%0.196CC..EExtended strand (participates in β ladder)trans-137.5146.5-178.9-41.20000110.2A88 T103 V104 L141 S142A88-T90 PolarHBondContact O-N 2.87Å; T90-T103 HydrophobicContact CG2-CG2 3.62Å; T90-V104 CarbonylContact C-O 3.55Å; T90-V104 VanDerWaalsContact CA-O 3.32Å; T90-V104 WeakPolarHBondContact CA-O 3.33Å; T90-V104 WeakPolarHBondContact CG2-O 3.41Å; T90-L141 PolarHBondContact O-N 3.03Å; T90-S142 PolarHBondContact OG1-OG 2.89Å
91M97.3Very high94.5Very high0 Ų043.5 Ų43.50%020%0.203CC..EExtended strand (participates in β ladder)trans-128.7143.4166.570-171.5-166.700111V84 V93 T103 V104 K125 L127 V138 K139 L140V84-M91 HydrophobicContact CB-SD 4.12Å; V84-M91 HydrophobicContact CG2-SD 4.11Å; M91-V93 HydrophobicContact CE-CG2 4.27Å; M91-T103 CarbonylContact O-C 3.49Å; M91-T103 WeakPolarHBondContact O-CA 3.26Å; M91-V104 HydrophobicContact CE-CB 4.13Å; M91-V104 HydrophobicContact CE-CG2 4.25Å; M91-V104 HydrophobicContact CG-CB 4.22Å; M91-V104 PolarHBondContact N-O 3.44Å; M91-V104 PolarHBondContact O-N 3.12Å; M91-K125 HydrophobicContact CB-CD 4Å; M91-K125 HydrophobicContact CE-CB 3.94Å; M91-K125 HydrophobicContact CG-CB 4.18Å; M91-K125 HydrophobicContact CG-CD 3.99Å; M91-K125 HydrophobicContact SD-CB 3.59Å; M91-K125 VanDerWaalsContact SD-CB 3.59Å; M91-K125 HydrophobicContact SD-CD 4.07Å; M91-K125 HydrophobicContact SD-CG 4.43Å; M91-L127 HydrophobicContact CE-CB 3.93Å; M91-V138 HydrophobicContact CB-CG1 4Å; M91-V138 HydrophobicContact CG-CG1 4.37Å; M91-V138 HydrophobicContact SD-CG1 3.96Å; M91-K139 WeakPolarHBondContact CA-O 3.14Å; M91-L140 HydrophobicContact CB-CD2 4.12Å
92E98.1Very high94.6Very high37 Ų3743.6 Ų43.617%0.17320%0.204CC..EExtended strand (participates in β ladder)trans-103.2146.1162.7-67.4164.8151.800108.3Y94 G102 T103 V138 K139 L141E92-Y94 HydrophobicContact CB-CE2 3.73Å; E92-Y94 PolarHBondContact OE2-OH 3.07Å; E92-G102 CarbonylContact C-O 3.57Å; E92-G102 WeakPolarHBondContact CA-O 3.41Å; E92-T103 HydrophobicContact CG-CG2 4.3Å; E92-V138 CarbonylContact O-C 3.55Å; E92-V138 WeakPolarHBondContact O-CA 3.09Å; E92-K139 HydrophobicContact CB-CB 4.32Å; E92-K139 PolarHBondContact N-O 3.37Å; E92-K139 PolarHBondContact O-N 2.93Å; E92-K139 VanDerWaalsContact OE2-CD 3.29Å; E92-K139 WeakPolarHBondContact OE2-CD 3.41Å; E92-K139 WeakPolarHBondContact OE2-CE 3.13Å; E92-K139 IonicContact OE2-NZ 3.41Å; E92-K139 PolarHBondContact OE2-NZ 2.74Å; E92-L141 VanDerWaalsContact CD-CD1 3.47Å; E92-L141 HydrophobicContact CG-CD1 3.77Å
93V97.7Very high94.8Very high0 Ų046.6 Ų46.60%022%0.223CC..EExtended strand (participates in β ladder)trans-124.7138.1177.2-176.40000110.4L82 M91 C101 G102 L127 L129 C136 E137 V138L82-V93 HydrophobicContact CD1-CG1 3.79Å; L82-V93 HydrophobicContact CD1-CG2 4.15Å; M91-V93 HydrophobicContact CE-CG2 4.27Å; V93-C101 HydrophobicContact CB-CB 4.44Å; V93-C101 HydrophobicContact CG1-CB 4.32Å; V93-C101 PolarHBondContact O-N 3.03Å; V93-G102 PolarHBondContact N-O 3.25Å; V93-G102 PolarHBondContact O-N 3.46Å; V93-L127 HydrophobicContact CB-CD2 3.73Å; V93-L127 HydrophobicContact CG1-CD2 4.38Å; V93-L127 HydrophobicContact CG2-CD2 3.64Å; V93-L129 HydrophobicContact CG1-CD2 4.06Å; V93-C136 HydrophobicContact CG1-CB 4.4Å; V93-E137 CarbonylContact C-O 3.58Å; V93-E137 WeakPolarHBondContact CA-O 3.37Å; V93-V138 HydrophobicContact CG2-CG1 4.33Å; V93-V138 HydrophobicContact CG2-CG2 4.27Å
94Y96.6Very high94.9Very high56 Ų5647.8 Ų47.822%0.2223%0.23CC..EExtended strand (participates in β ladder)trans-129.3150.6178.4-57.3-97000110.3E92 E99 Y100 C136 E137 K139E92-Y94 HydrophobicContact CB-CE2 3.73Å; E92-Y94 PolarHBondContact OE2-OH 3.07Å; Y94-E99 CarbonylContact C-O 3.52Å; Y94-E99 WeakPolarHBondContact CA-O 3.39Å; Y94-Y100 HydrophobicContact CE1-CD2 4.1Å; Y94-C136 CarbonylContact O-C 3.47Å; Y94-C136 WeakPolarHBondContact O-CA 3.16Å; Y94-C136 WeakPolarHBondContact O-CB 3.12Å; Y94-E137 PolarHBondContact N-O 2.79Å; Y94-E137 PolarHBondContact O-N 3.44Å; Y94-K139 HydrophobicContact CE2-CB 4.34Å; Y94-K139 HydrophobicContact CE2-CD 4.21Å
95N92.6Very high94.9Very high23 Ų2354.9 Ų54.912%0.12326%0.257CS..EExtended strand (participates in β ladder)trans-86.7179.7175.972.912.3000112.3L97 E98 E99 C101N95-L97 PolarHBondContact O-N 2.97Å; N95-L97 WeakPolarHBondContact OD1-CA 3.33Å; N95-L97 WeakPolarHBondContact OD1-CB 3.46Å; N95-L97 PolarHBondContact OD1-N 3.25Å; N95-E98 PolarHBondContact O-N 2.97Å; N95-E98 PolarHBondContact OD1-N 2.83Å; N95-E99 PolarHBondContact N-O 3Å; N95-E99 PolarHBondContact ND2-OE2 3.49Å; N95-E99 WeakPolarHBondContact OD1-CB 3.45Å; N95-E99 PolarHBondContact OD1-N 2.83Å; N95-C101 PolarHBondContact N-SG 3.28Å; N95-C101 VanDerWaalsContact N-SG 3.44Å
96Q88.6Confident94.9Very high119 Ų11955 Ų5556%0.55626%0.259SS*.THydrogen-bonded Turntrans-59.6-12.8176.6-170.1173.8-19.700115S134 A135Q96-S134 PolarHBondContact OE1-OG 3.26Å; Q96-A135 HydrophobicContact CB-CB 4.14Å; Q96-A135 HydrophobicContact CG-CB 4.18Å; Q96-A135 PolarHBondContact N-O 2.9Å; Q96-A135 VanDerWaalsContact N-O 3.07Å
97L89.9Confident94.8Very high129 Ų12962.5 Ų62.568%0.67530%0.296SS*.THydrogen-bonded Turntrans-100.812.2176.9-55.9178.7000112.6N95 E99N95-L97 PolarHBondContact O-N 2.97Å; N95-L97 WeakPolarHBondContact OD1-CA 3.33Å; N95-L97 WeakPolarHBondContact OD1-CB 3.46Å; N95-L97 PolarHBondContact OD1-N 3.25Å; L97-E99 HydrophobicContact CB-CG 4.01Å; L97-E99 PolarHBondContact O-N 3.48Å
98E91.8Very high94.6Very high169 Ų16967.8 Ų67.879%0.7932%0.319SS*.SBendtrans62.812.2-173.3-56.3176.8-168.600113.9N95N95-E98 PolarHBondContact O-N 2.97Å; N95-E98 PolarHBondContact OD1-N 2.83Å
99E94Very high94.1Very high111 Ų11169.3 Ų69.352%0.51933%0.326SS..  trans-77.2134.9176.8-55.7172.5129.400110.3Y94 N95 L97 C101Y94-E99 CarbonylContact C-O 3.52Å; Y94-E99 WeakPolarHBondContact CA-O 3.39Å; N95-E99 PolarHBondContact N-O 3Å; N95-E99 PolarHBondContact ND2-OE2 3.49Å; N95-E99 WeakPolarHBondContact OD1-CB 3.45Å; N95-E99 PolarHBondContact OD1-N 2.83Å; L97-E99 HydrophobicContact CB-CG 4.01Å; L97-E99 PolarHBondContact O-N 3.48Å; E99-C101 PolarHBondContact O-N 2.9Å
100Y96.3Very high93.1Very high132 Ų13272.8 Ų72.852%0.51835%0.346SS..EExtended strand (participates in β ladder)trans-69.5124.2179.6168.5-93.3000111.8Y94 G102 T103Y94-Y100 HydrophobicContact CE1-CD2 4.1Å; Y100-G102 VanDerWaalsContact CE2-C 3.46Å; Y100-G102 WeakPolarHBondContact CE2-O 3.18Å; Y100-G102 VanDerWaalsContact CZ-C 3.42Å; Y100-G102 VanDerWaalsContact CZ-CA 3.47Å; Y100-G102 VanDerWaalsContact OH-C 3.3Å; Y100-T103 VanDerWaalsContact CE2-OG1 3.3Å; Y100-T103 WeakPolarHBondContact CE2-OG1 3.47Å; Y100-T103 WeakPolarHBondContact OH-CB 3.39Å; Y100-T103 PolarHBondContact OH-N 2.73Å; Y100-T103 PolarHBondContact OH-OG1 3.18Å
101C95Very high91.8Very high31 Ų3176.5 Ų76.521%0.20937%0.372CS..EExtended strand (participates in β ladder)trans-99.9-24178.5-54.40000113.6V93 N95 E99 L129V93-C101 HydrophobicContact CB-CB 4.44Å; V93-C101 HydrophobicContact CG1-CB 4.32Å; V93-C101 PolarHBondContact O-N 3.03Å; N95-C101 PolarHBondContact N-SG 3.28Å; N95-C101 VanDerWaalsContact N-SG 3.44Å; E99-C101 PolarHBondContact O-N 2.9Å; C101-L129 HydrophobicContact CB-CD2 3.86Å
102G95.7Very high90.5Very high8 Ų877.7 Ų77.78%0.08238%0.379CS..EExtended strand (participates in β ladder)trans162.6167.9-179.800000115.3E92 V93 Y100E92-G102 CarbonylContact C-O 3.57Å; E92-G102 WeakPolarHBondContact CA-O 3.41Å; V93-G102 PolarHBondContact N-O 3.25Å; V93-G102 PolarHBondContact O-N 3.46Å; Y100-G102 VanDerWaalsContact CE2-C 3.46Å; Y100-G102 WeakPolarHBondContact CE2-O 3.18Å; Y100-G102 VanDerWaalsContact CZ-C 3.42Å; Y100-G102 VanDerWaalsContact CZ-CA 3.47Å; Y100-G102 VanDerWaalsContact OH-C 3.3Å
103T97.1Very high88.7Confident64 Ų6484.2 Ų84.239%0.39341%0.409SS..EExtended strand (participates in β ladder)trans-128131.3173.5-59.40000109.1T90 M91 E92 Y100T90-T103 HydrophobicContact CG2-CG2 3.62Å; M91-T103 CarbonylContact O-C 3.49Å; M91-T103 WeakPolarHBondContact O-CA 3.26Å; E92-T103 HydrophobicContact CG-CG2 4.3Å; Y100-T103 VanDerWaalsContact CE2-OG1 3.3Å; Y100-T103 WeakPolarHBondContact CE2-OG1 3.47Å; Y100-T103 WeakPolarHBondContact OH-CB 3.39Å; Y100-T103 PolarHBondContact OH-N 2.73Å; Y100-T103 PolarHBondContact OH-OG1 3.18Å
104V97.1Very high87.1Confident26 Ų2686 Ų8616%0.15842%0.421CS..EExtended strand (participates in β ladder)trans-125.7124.2177.8179.30000110.7T90 M91 K125 Q126 L127T90-V104 CarbonylContact C-O 3.55Å; T90-V104 VanDerWaalsContact CA-O 3.32Å; T90-V104 WeakPolarHBondContact CA-O 3.33Å; T90-V104 WeakPolarHBondContact CG2-O 3.41Å; M91-V104 HydrophobicContact CE-CB 4.13Å; M91-V104 HydrophobicContact CE-CG2 4.25Å; M91-V104 HydrophobicContact CG-CB 4.22Å; M91-V104 PolarHBondContact N-O 3.44Å; M91-V104 PolarHBondContact O-N 3.12Å; V104-K125 HydrophobicContact CG1-CB 4.15Å; V104-Q126 WeakPolarHBondContact CG2-O 3.25Å; V104-L127 HydrophobicContact CG2-CB 3.84Å; V104-L127 HydrophobicContact CG2-CD1 3.86Å; V104-L127 HydrophobicContact CG2-CG 4.28Å
105R96.3Very high85.6Confident149 Ų14990.7 Ų90.756%0.56245%0.45SS*.EExtended strand (participates in β ladder)trans-88.2119.9168-175.1-175.4-177.294.6-11.5108.3R89R89-R105 CarbonylContact O-C 3.6Å; R89-R105 WeakPolarHBondContact O-CA 3.32Å
106G93.8Very high84.4Confident7 Ų794.2 Ų94.27%0.07247%0.469CS..PPolyproline II helixtrans-76.2150.1-174.800000114R89 R124 K125R89-G106 PolarHBondContact O-N 3.48Å; G106-R124 CarbonylContact C-O 3.53Å; G106-R124 WeakPolarHBondContact CA-O 3.21Å; G106-K125 VanDerWaalsContact CA-CG 3.46Å
107M92.7Very high83.3Confident156 Ų15693.6 Ų93.677%0.76848%0.475SS*.EExtended strand (participates in β ladder)trans-82.6143.9169.4-58.4-175.9-17000109E109 Y123 R124M107-E109 PolarHBondContact O-N 3.06Å; M107-Y123 CarbonylContact O-C 3.58Å; M107-Y123 WeakPolarHBondContact O-CA 3.33Å; M107-R124 PolarHBondContact N-O 2.84Å; M107-R124 PolarHBondContact O-N 3.2Å
108K90.6Very high82.4Confident114 Ų11496.7 Ų96.750%0.49649%0.486SS..EExtended strand (participates in β ladder)trans-68131178179.5-158.4163.6-157.70109.1E110 P121 Y123K108-E110 HydrophobicContact CD-CG 4.43Å; K108-E110 IonicContact NZ-OE1 3.72Å; K108-E110 PolarHBondContact NZ-OE1 3.41Å; K108-P121 HydrophobicContact CG-CB 4.1Å; K108-P121 HydrophobicContact CG-CG 4.39Å; K108-Y123 HydrophobicContact CB-CD1 4.21Å; K108-Y123 HydrophobicContact CB-CE1 4.1Å
109E83.2Confident81.8Confident33 Ų3391.5 Ų91.515%0.15446%0.46CS..  trans-89.3114.3177.6-156.6127.3-123.800110V85 M107 S111 I112 F122 R124V85-E109 WeakPolarHBondContact CG1-OE2 3.31Å; V85-E109 VanDerWaalsContact CG2-OE2 3.27Å; V85-E109 WeakPolarHBondContact CG2-OE2 3.43Å; M107-E109 PolarHBondContact O-N 3.06Å; E109-S111 WeakPolarHBondContact CG-OG 3.11Å; E109-I112 HydrophobicContact CB-CD1 4.34Å; E109-I112 HydrophobicContact CG-CB 4.49Å; E109-I112 HydrophobicContact CG-CD1 3.72Å; E109-I112 HydrophobicContact CG-CG1 4Å; E109-F122 HydrophobicContact CB-CB 4.46Å; E109-F122 PolarHBondContact N-O 3.28Å; E109-R124 WeakPolarHBondContact OE1-CD 3.29Å
110E74.4Confident81.1Confident148 Ų14887.5 Ų87.569%0.69245%0.448SS*.SBendtrans-89.9-17.6-174.2-55.2-139121.100113.7K108K108-E110 HydrophobicContact CD-CG 4.43Å; K108-E110 IonicContact NZ-OE1 3.72Å; K108-E110 PolarHBondContact NZ-OE1 3.41Å
111S68.9Low80.8Confident94 Ų9483.5 Ų83.566%0.65744%0.438SS*.SBendtrans-69.1-34173.344.40000112.7E109 Q113E109-S111 WeakPolarHBondContact CG-OG 3.11Å; S111-Q113 PolarHBondContact O-N 2.85Å
112I69.4Low80.7Confident26 Ų2682.3 Ų82.313%0.13343%0.43CS..  trans-94.193.1-174.3-56.2169.1000109.7V85 E109 F122 R152V85-I112 HydrophobicContact CG1-CD1 3.78Å; E109-I112 HydrophobicContact CB-CD1 4.34Å; E109-I112 HydrophobicContact CG-CB 4.49Å; E109-I112 HydrophobicContact CG-CD1 3.72Å; E109-I112 HydrophobicContact CG-CG1 4Å; I112-F122 HydrophobicContact CB-CD2 4.44Å; I112-F122 HydrophobicContact CG2-CB 4.42Å; I112-F122 HydrophobicContact CG2-CD2 3.52Å; I112-F122 HydrophobicContact CG2-CE2 4.04Å; I112-F122 HydrophobicContact CG2-CG 4.09Å; I112-R152 HydrophobicContact CD1-CG 4.22Å
113Q61.3Low80.6Confident173 Ų17383.7 Ų83.781%0.80843%0.432SS*.  trans-69.9138166-61-169.827.100109.5S111S111-Q113 PolarHBondContact O-N 2.85Å
114S64.3Low80.5Confident37 Ų3782.9 Ų82.926%0.25942%0.422SS..  trans-88.4118176.8-58.80000109.4N116 G120S114-N116 PolarHBondContact O-N 2.79Å; S114-N116 VanDerWaalsContact O-N 3.09Å; S114-G120 PolarHBondContact OG-O 3.05Å
115D64.3Low80.4Confident155 Ų15581.7 Ų81.783%0.82942%0.415SS*.SBendtrans-58.7-24.6-178.2-58.2-58.5000113.3
116N67.8Low80.4Confident98 Ų9877.5 Ų77.552%0.52440%0.402SS..SBendtrans-101113.6176.1-71.4-81.4000110S114 E118 R119S114-N116 PolarHBondContact O-N 2.79Å; S114-N116 VanDerWaalsContact O-N 3.09Å; N116-E118 PolarHBondContact O-N 3.44Å; N116-R119 HydrophobicContact CB-CB 4.36Å; N116-R119 HydrophobicContact CB-CG 4.4Å; N116-R119 PolarHBondContact O-N 2.91Å
117P65.9Low80.5Confident105 Ų10578.5 Ų78.568%0.68241%0.405SS*.THydrogen-bonded Turntrans-69.5-12.9-177.229-36000114
118E71.6Confident80.5Confident194 Ų19475.9 Ų75.991%0.90740%0.398SS*.THydrogen-bonded Turntrans-80.7-16.2173.1-60.3-173.4163.800113.2N116N116-E118 PolarHBondContact O-N 3.44Å
119R77.7Confident80.6Confident61 Ų6170.9 Ų70.923%0.2338%0.377CS..SBendtrans-90.7148.4179.1-81.4-176.5170.1-80.1-3.4111.7E87 N116 S148E87-R119 WeakPolarHBondContact OE1-CB 3.4Å; E87-R119 VanDerWaalsContact OE1-CD 3.24Å; E87-R119 WeakPolarHBondContact OE1-CD 3.32Å; E87-R119 WeakPolarHBondContact OE1-CG 3.45Å; E87-R119 IonicContact OE1-CZ 3.29Å; E87-R119 IonicContact OE1-NE 3.95Å; E87-R119 IonicContact OE1-NH1 3.15Å; E87-R119 PolarHBondContact OE1-NH1 3.45Å; E87-R119 IonicContact OE2-NH1 2.66Å; E87-R119 PolarHBondContact OE2-NH1 2.83Å; N116-R119 HydrophobicContact CB-CB 4.36Å; N116-R119 HydrophobicContact CB-CG 4.4Å; N116-R119 PolarHBondContact O-N 2.91Å; R119-S148 PolarHBondContact NH2-OG 3.35Å
120G79.8Confident80.8Confident27 Ų2776.9 Ų76.928%0.27841%0.409SS..PPolyproline II helixtrans-73164.617700000112S114S114-G120 PolarHBondContact OG-O 3.05Å
121P90.1Very high81.3Confident47 Ų4774 Ų7431%0.30541%0.406SS..PPolyproline II helixtrans-66.2157.3177.531.2-36.6000111.6K108 Y123K108-P121 HydrophobicContact CG-CB 4.1Å; K108-P121 HydrophobicContact CG-CG 4.39Å; P121-Y123 HydrophobicContact CG-CE2 4.13Å; P121-Y123 WeakPolarHBondContact O-CD2 3.17Å; P121-Y123 WeakPolarHBondContact O-CE2 3.19Å
122F92.5Very high82.3Confident7 Ų771.9 Ų71.93%0.03139%0.39CS..PPolyproline II helixtrans-74.7148.8167.4-71.7-91.2000111P53 V85 E87 E109 I112 L150 R152P53-F122 HydrophobicContact CB-CZ 4.29Å; V85-F122 HydrophobicContact CG1-CB 3.92Å; V85-F122 HydrophobicContact CG1-CD1 4.04Å; V85-F122 HydrophobicContact CG1-CG 4.32Å; E87-F122 HydrophobicContact CG-CD1 4.46Å; E87-F122 HydrophobicContact CG-CE1 4.2Å; E87-F122 HydrophobicContact CG-CZ 4.37Å; E109-F122 HydrophobicContact CB-CB 4.46Å; E109-F122 PolarHBondContact N-O 3.28Å; I112-F122 HydrophobicContact CB-CD2 4.44Å; I112-F122 HydrophobicContact CG2-CB 4.42Å; I112-F122 HydrophobicContact CG2-CD2 3.52Å; I112-F122 HydrophobicContact CG2-CE2 4.04Å; I112-F122 HydrophobicContact CG2-CG 4.09Å; F122-L150 HydrophobicContact CE1-CB 3.79Å; F122-L150 HydrophobicContact CZ-CB 3.68Å; F122-L150 HydrophobicContact CZ-CD1 3.94Å; F122-L150 HydrophobicContact CZ-CG 4.47Å; F122-R152 HydrophobicContact CD1-CB 3.93Å; F122-R152 HydrophobicContact CE1-CB 3.83Å
123Y94.2Very high83.3Confident36 Ų3671.6 Ų71.614%0.14139%0.39CS..EExtended strand (participates in β ladder)trans-124.1127.7173.9-60.6-87.7000110.5S86 R89 M107 K108 P121 K125S86-Y123 PolarHBondContact N-O 3.42Å; S86-Y123 PolarHBondContact O-N 3.34Å; R89-Y123 HydrophobicContact CB-CD1 4.45Å; R89-Y123 HydrophobicContact CB-CD2 3.92Å; R89-Y123 HydrophobicContact CB-CE1 4.34Å; R89-Y123 HydrophobicContact CB-CE2 3.77Å; R89-Y123 HydrophobicContact CB-CG 4.27Å; R89-Y123 HydrophobicContact CG-CD1 3.93Å; R89-Y123 HydrophobicContact CG-CD2 4.3Å; R89-Y123 HydrophobicContact CG-CE1 3.75Å; R89-Y123 HydrophobicContact CG-CE2 4.11Å; R89-Y123 HydrophobicContact CG-CG 4.22Å; M107-Y123 CarbonylContact O-C 3.58Å; M107-Y123 WeakPolarHBondContact O-CA 3.33Å; K108-Y123 HydrophobicContact CB-CD1 4.21Å; K108-Y123 HydrophobicContact CB-CE1 4.1Å; P121-Y123 HydrophobicContact CG-CE2 4.13Å; P121-Y123 WeakPolarHBondContact O-CD2 3.17Å; P121-Y123 WeakPolarHBondContact O-CE2 3.19Å; Y123-K125 PolarHBondContact O-NZ 2.97Å
124R94.6Very high84.7Confident47 Ų4766.1 Ų66.118%0.17737%0.371CS..EExtended strand (participates in β ladder)trans-80.2126.4169.1-168.9174.5177-78.23.9109D40 S42 M83 V85 G106 M107 E109 Q126D40-R124 IonicContact OD1-CZ 2.69Å; D40-R124 IonicContact OD1-NH2 3.95Å; D40-R124 PolarHBondContact OD1-NH2 3.28Å; D40-R124 IonicContact OD2-NH2 2.65Å; D40-R124 PolarHBondContact OD2-NH2 3.46Å; S42-R124 VanDerWaalsContact N-NH2 3.19Å; M83-R124 HydrophobicContact CG-CG 4.02Å; M83-R124 HydrophobicContact SD-CG 4.22Å; V85-R124 HydrophobicContact CG2-CB 4.4Å; V85-R124 HydrophobicContact CG2-CG 4.27Å; G106-R124 CarbonylContact C-O 3.53Å; G106-R124 WeakPolarHBondContact CA-O 3.21Å; M107-R124 PolarHBondContact N-O 2.84Å; M107-R124 PolarHBondContact O-N 3.2Å; E109-R124 WeakPolarHBondContact OE1-CD 3.29Å; R124-Q126 VanDerWaalsContact CZ-OE1 3.3Å; R124-Q126 VanDerWaalsContact NH2-OE1 3.13Å
125K96.3Very high86.1Confident1 Ų165 Ų650%0.00436%0.364CS..EExtended strand (participates in β ladder)trans-126.5134.3179.8-63.4163.8-71.3-71.90108M83 V84 S86 A88 M91 V104 G106 Y123M83-K125 CarbonylContact C-O 3.57Å; M83-K125 WeakPolarHBondContact CA-O 3.37Å; M83-K125 WeakPolarHBondContact CG-O 3.43Å; V84-K125 PolarHBondContact N-O 3.08Å; V84-K125 WeakPolarHBondContact O-CE 3.3Å; V84-K125 PolarHBondContact O-N 2.84Å; V84-K125 PolarHBondContact O-NZ 2.87Å; S86-K125 PolarHBondContact O-NZ 2.99Å; S86-K125 VanDerWaalsContact O-NZ 3.15Å; S86-K125 WeakPolarHBondContact OG-CE 3.39Å; S86-K125 PolarHBondContact OG-NZ 3.46Å; A88-K125 WeakPolarHBondContact O-CD 3.4Å; A88-K125 WeakPolarHBondContact O-CE 3.49Å; A88-K125 PolarHBondContact O-NZ 2.83Å; M91-K125 HydrophobicContact CB-CD 4Å; M91-K125 HydrophobicContact CE-CB 3.94Å; M91-K125 HydrophobicContact CG-CB 4.18Å; M91-K125 HydrophobicContact CG-CD 3.99Å; M91-K125 HydrophobicContact SD-CB 3.59Å; M91-K125 VanDerWaalsContact SD-CB 3.59Å; M91-K125 HydrophobicContact SD-CD 4.07Å; M91-K125 HydrophobicContact SD-CG 4.43Å; V104-K125 HydrophobicContact CG1-CB 4.15Å; G106-K125 VanDerWaalsContact CA-CG 3.46Å; Y123-K125 PolarHBondContact O-NZ 2.97Å
126Q95.3Very high87.5Confident62 Ų6257.8 Ų57.829%0.2933%0.325SS..EExtended strand (participates in β ladder)trans-140.5134.8-177.4179.8171.5-5.300110.8D40 L41 L82 M83 V104 R124D40-Q126 PolarHBondContact OD1-NE2 2.59Å; D40-Q126 PolarHBondContact OD1-OE1 3.4Å; L41-Q126 HydrophobicContact CD1-CG 4.49Å; L82-Q126 CarbonylContact O-C 3.53Å; L82-Q126 VanDerWaalsContact O-CA 3.27Å; L82-Q126 WeakPolarHBondContact O-CA 3.21Å; M83-Q126 HydrophobicContact CB-CB 4.26Å; M83-Q126 HydrophobicContact CB-CG 4.32Å; M83-Q126 HydrophobicContact CG-CB 4.36Å; V104-Q126 WeakPolarHBondContact CG2-O 3.25Å; R124-Q126 VanDerWaalsContact CZ-OE1 3.3Å; R124-Q126 VanDerWaalsContact NH2-OE1 3.13Å
127L94.9Very high88.9Confident27 Ų2756.8 Ų56.814%0.14132%0.318CS..EExtended strand (participates in β ladder)trans-137.1135.4179.1-175.560.1000109.7S81 L82 M91 V93 V104 L129S81-L127 CarbonylContact C-O 3.53Å; S81-L127 VanDerWaalsContact CA-O 3.27Å; S81-L127 WeakPolarHBondContact CA-O 3.5Å; S81-L127 WeakPolarHBondContact CB-O 3.49Å; L82-L127 PolarHBondContact N-O 3.21Å; L82-L127 PolarHBondContact O-N 3.2Å; M91-L127 HydrophobicContact CE-CB 3.93Å; V93-L127 HydrophobicContact CB-CD2 3.73Å; V93-L127 HydrophobicContact CG1-CD2 4.38Å; V93-L127 HydrophobicContact CG2-CD2 3.64Å; V104-L127 HydrophobicContact CG2-CB 3.84Å; V104-L127 HydrophobicContact CG2-CD1 3.86Å; V104-L127 HydrophobicContact CG2-CG 4.28Å; L127-L129 HydrophobicContact CD2-CD2 3.75Å; L127-L129 HydrophobicContact CG-CD2 4.04Å
128V94.4Very high90.4Very high102 Ų10251.8 Ų51.862%0.61829%0.285SS*.EExtended strand (participates in β ladder)trans-97.3142161.9-177.20000107.4
129L91.1Very high91.6Very high9 Ų945.1 Ų45.15%0.04725%0.253CS..EExtended strand (participates in β ladder)trans-100.1121.4-176.7-55.4179.6000110.1V79 S80 V93 C101 L127 S131V79-L129 HydrophobicContact CB-CD1 4.48Å; V79-L129 HydrophobicContact CG1-CD1 3.97Å; S80-L129 PolarHBondContact O-N 2.8Å; V93-L129 HydrophobicContact CG1-CD2 4.06Å; C101-L129 HydrophobicContact CB-CD2 3.86Å; L127-L129 HydrophobicContact CD2-CD2 3.75Å; L127-L129 HydrophobicContact CG-CD2 4.04Å; L129-S131 PolarHBondContact O-N 3.32Å
130D87.6Confident92.5Very high158 Ų15842.4 Ų42.485%0.84524%0.243SC*.EExtended strand (participates in β ladder)trans-57.3-21176.9-56.9-30.7000113.3
131S86.3Confident93.2Very high87 Ų8743.5 Ų43.561%0.60824%0.242SC*.EExtended strand (participates in β ladder)trans-140.4102.1176.3-73.50000109.7L129L129-S131 PolarHBondContact O-N 3.32Å
132P89.7Confident93.2Very high51 Ų5144.5 Ų44.533%0.33125%0.251SS..EExtended strand (participates in β ladder)trans-58.4138.7179.8-27.936.1000112.9S78 V79S78-P132 VanDerWaalsContact OG-CB 3.32Å; S78-P132 WeakPolarHBondContact OG-CB 3.49Å; V79-P132 CarbonylContact O-C 3.57Å; V79-P132 WeakPolarHBondContact O-CA 3.44Å; V79-P132 WeakPolarHBondContact O-CB 3.42Å
133S90.7Very high93.1Very high19 Ų1945.3 Ų45.313%0.13326%0.255CS..EExtended strand (participates in β ladder)trans-130.5149.6-172.8-157.90000113.5V79 A135V79-S133 PolarHBondContact N-O 2.95Å; V79-S133 PolarHBondContact O-N 2.86Å; S133-A135 VanDerWaalsContact C-N 3.27Å; S133-A135 WeakPolarHBondContact CB-O 3.27Å; S133-A135 PolarHBondContact O-N 2.81Å; S133-A135 PolarHBondContact OG-O 3.49Å
134S90.1Very high92.7Very high59 Ų5948.1 Ų48.141%0.41329%0.286SS..SBendtrans-71.4-20.417739.70000113.8C71 Q96C71-S134 PolarHBondContact N-O 3.43Å; Q96-S134 PolarHBondContact OE1-OG 3.26Å
135A92.4Very high92.2Very high14 Ų1450 Ų5012%0.11632%0.32CS..EExtended strand (participates in β ladder)trans-149.3153.5171.500000110.7L69 Q96 S133L69-A135 CarbonylContact O-C 3.56Å; L69-A135 WeakPolarHBondContact O-CA 3.37Å; L69-A135 WeakPolarHBondContact O-CB 3.34Å; Q96-A135 HydrophobicContact CB-CB 4.14Å; Q96-A135 HydrophobicContact CG-CB 4.18Å; Q96-A135 PolarHBondContact N-O 2.9Å; Q96-A135 VanDerWaalsContact N-O 3.07Å; S133-A135 VanDerWaalsContact C-N 3.27Å; S133-A135 WeakPolarHBondContact CB-O 3.27Å; S133-A135 PolarHBondContact O-N 2.81Å; S133-A135 PolarHBondContact OG-O 3.49Å
136C94.5Very high91.8Very high2 Ų253.3 Ų53.31%0.01433%0.332CS..EExtended strand (participates in β ladder)trans-149.5157177.455.80000111.1L69 V93 Y94L69-C136 PolarHBondContact N-O 3.14Å; L69-C136 PolarHBondContact O-N 3.07Å; V93-C136 HydrophobicContact CG1-CB 4.4Å; Y94-C136 CarbonylContact O-C 3.47Å; Y94-C136 WeakPolarHBondContact O-CA 3.16Å; Y94-C136 WeakPolarHBondContact O-CB 3.12Å
137E96.8Very high91.7Very high77 Ų7753.8 Ų53.836%0.3634%0.343SS..EExtended strand (participates in β ladder)trans-113.8134.3173.8-58.9-138.7126.200110.4V66 L67 T68 V93 Y94V66-E137 HydrophobicContact CG1-CB 3.91Å; V66-E137 HydrophobicContact CG1-CG 4.43Å; L67-E137 CarbonylContact O-C 3.6Å; L67-E137 VanDerWaalsContact O-CA 3.32Å; L67-E137 WeakPolarHBondContact O-CA 3.24Å; T68-E137 HydrophobicContact CG2-CG 4.37Å; T68-E137 WeakPolarHBondContact CG2-OE1 3.28Å; T68-E137 PolarHBondContact OG1-OE1 2.99Å; V93-E137 CarbonylContact C-O 3.58Å; V93-E137 WeakPolarHBondContact CA-O 3.37Å; Y94-E137 PolarHBondContact N-O 2.79Å; Y94-E137 PolarHBondContact O-N 3.44Å
138V97.6Very high91.5Very high0 Ų053.7 Ų53.70%034%0.344CS..EExtended strand (participates in β ladder)trans-117.3108.4-179.9-174.20000108.6L67 L69 L82 V84 M91 E92 V93 L140L67-V138 HydrophobicContact CB-CB 4.31Å; L67-V138 PolarHBondContact N-O 3.05Å; L67-V138 PolarHBondContact O-N 2.89Å; L69-V138 HydrophobicContact CD1-CG2 4.09Å; L82-V138 HydrophobicContact CD1-CG2 3.77Å; V84-V138 HydrophobicContact CG2-CG1 4.46Å; M91-V138 HydrophobicContact CB-CG1 4Å; M91-V138 HydrophobicContact CG-CG1 4.37Å; M91-V138 HydrophobicContact SD-CG1 3.96Å; E92-V138 CarbonylContact O-C 3.55Å; E92-V138 WeakPolarHBondContact O-CA 3.09Å; V93-V138 HydrophobicContact CG2-CG1 4.33Å; V93-V138 HydrophobicContact CG2-CG2 4.27Å; V138-L140 HydrophobicContact CG1-CD2 4.33Å
139K97.4Very high91.5Very high54 Ų5448.8 Ų48.824%0.23532%0.315CS..EExtended strand (participates in β ladder)trans-96.3114.2-176.3177.2174.3162.2-139.10109.5V66 M91 E92 Y94 L141V66-K139 HydrophobicContact CG2-CB 4.24Å; V66-K139 HydrophobicContact CG2-CG 4.21Å; M91-K139 WeakPolarHBondContact CA-O 3.14Å; E92-K139 HydrophobicContact CB-CB 4.32Å; E92-K139 PolarHBondContact N-O 3.37Å; E92-K139 PolarHBondContact O-N 2.93Å; E92-K139 VanDerWaalsContact OE2-CD 3.29Å; E92-K139 WeakPolarHBondContact OE2-CD 3.41Å; E92-K139 WeakPolarHBondContact OE2-CE 3.13Å; E92-K139 IonicContact OE2-NZ 3.41Å; E92-K139 PolarHBondContact OE2-NZ 2.74Å; Y94-K139 HydrophobicContact CE2-CB 4.34Å; Y94-K139 HydrophobicContact CE2-CD 4.21Å; K139-L141 HydrophobicContact CG-CD2 4.23Å
140L96.8Very high91.6Very high4 Ų449.4 Ų49.42%0.02132%0.318CS..EExtended strand (participates in β ladder)trans-84.3126.9-177.7-64.2-171.3000111.1C65 L67 V84 A88 M91 V138 V149 I151C65-L140 HydrophobicContact CB-CB 4.2Å; C65-L140 PolarHBondContact O-N 2.85Å; L67-L140 HydrophobicContact CD1-CD1 4.23Å; L67-L140 HydrophobicContact CD1-CG 4.36Å; V84-L140 HydrophobicContact CG1-CD2 4.44Å; A88-L140 HydrophobicContact CB-CB 3.76Å; A88-L140 HydrophobicContact CB-CD1 4.25Å; A88-L140 HydrophobicContact CB-CD2 4.09Å; A88-L140 HydrophobicContact CB-CG 4.26Å; M91-L140 HydrophobicContact CB-CD2 4.12Å; V138-L140 HydrophobicContact CG1-CD2 4.33Å; L140-V149 HydrophobicContact CD1-CG1 4.37Å; L140-V149 HydrophobicContact CD1-CG2 4.47Å; L140-I151 HydrophobicContact CD1-CD1 3.82Å; L140-I151 HydrophobicContact CD1-CG1 4.08Å
141L94.3Very high91.9Very high50 Ų5041.9 Ų41.926%0.26228%0.278SS..EExtended strand (participates in β ladder)trans-122.5176.4-172.6-67.7-171.4000112.6A88 T90 E92 K139 L143A88-L141 WeakPolarHBondContact CA-O 3.41Å; A88-L141 WeakPolarHBondContact CB-O 3.27Å; T90-L141 PolarHBondContact O-N 3.03Å; E92-L141 VanDerWaalsContact CD-CD1 3.47Å; E92-L141 HydrophobicContact CG-CD1 3.77Å; K139-L141 HydrophobicContact CG-CD2 4.23Å; L141-L143 VanDerWaalsContact C-N 3.28Å; L141-L143 PolarHBondContact O-N 2.81Å
142S90.9Very high92.1Very high69 Ų6939.7 Ų39.748%0.48326%0.256SS..  trans61.333.2178-48.80000113.5T90 A144T90-S142 PolarHBondContact OG1-OG 2.89Å; S142-A144 PolarHBondContact O-N 2.65Å; S142-A144 VanDerWaalsContact O-N 3.11Å
143L88.9Confident92.2Very high23 Ų2337.5 Ų37.512%0.1224%0.241CC..  trans-70.5-1.8-177.1-55-177.3000114.7W12 C65 A88 L141 G145 R146 V149W12-L143 HydrophobicContact CH2-CD1 3.39Å; W12-L143 HydrophobicContact CZ2-CD1 4.15Å; W12-L143 HydrophobicContact CZ3-CD1 3.84Å; C65-L143 HydrophobicContact CB-CD1 4.02Å; A88-L143 HydrophobicContact CB-CD2 3.71Å; L141-L143 VanDerWaalsContact C-N 3.28Å; L141-L143 PolarHBondContact O-N 2.81Å; L143-G145 VanDerWaalsContact C-N 3.32Å; L143-G145 PolarHBondContact O-N 3.42Å; L143-R146 WeakPolarHBondContact O-CB 3.45Å; L143-R146 WeakPolarHBondContact O-CG 3.4Å; L143-R146 PolarHBondContact O-N 3.49Å; L143-R146 PolarHBondContact O-NE 3.07Å; L143-V149 HydrophobicContact CD2-CB 4.12Å; L143-V149 HydrophobicContact CD2-CG2 3.91Å
144A86.4Confident92.3Very high95 Ų9536.6 Ų36.679%0.78524%0.235SC*.THydrogen-bonded Turntrans56.438.2179.700000114.4S142 R146S142-A144 PolarHBondContact O-N 2.65Å; S142-A144 VanDerWaalsContact O-N 3.11Å; A144-R146 VanDerWaalsContact C-N 3.26Å; A144-R146 PolarHBondContact O-N 2.76Å
145G83.7Confident92.4Very high87 Ų8733.8 Ų33.890%0.89722%0.215SC*.THydrogen-bonded Turntrans77.34.7179.400000115L143L143-G145 VanDerWaalsContact C-N 3.32Å; L143-G145 PolarHBondContact O-N 3.42Å
146R88.8Confident92.5Very high70 Ų7033.1 Ų33.126%0.26421%0.21SC..  trans-76.7133.1177.5-61.3177.8-66.6148.20.9111.1E87 L143 A144 S148E87-R146 IonicContact OE1-NH1 2.66Å; E87-R146 PolarHBondContact OE1-NH1 3.07Å; E87-R146 IonicContact OE2-CZ 3.73Å; E87-R146 IonicContact OE2-NH1 3.24Å; E87-R146 PolarHBondContact OE2-NH1 3.13Å; E87-R146 IonicContact OE2-NH2 3.87Å; L143-R146 WeakPolarHBondContact O-CB 3.45Å; L143-R146 WeakPolarHBondContact O-CG 3.4Å; L143-R146 PolarHBondContact O-N 3.49Å; L143-R146 PolarHBondContact O-NE 3.07Å; A144-R146 VanDerWaalsContact C-N 3.26Å; A144-R146 PolarHBondContact O-N 2.76Å; R146-S148 PolarHBondContact O-N 3.45Å
147S91.8Very high92.3Very high73 Ų7333 Ų3351%0.5121%0.209SC..SBendtrans-8213.5171.152.10000113.6Q58Q58-S147 VanDerWaalsContact CB-O 3.25Å; Q58-S147 WeakPolarHBondContact CB-O 3.38Å; Q58-S147 PolarHBondContact N-O 2.72Å
148S92.4Very high92Very high24 Ų2429.4 Ų29.417%0.16819%0.192CC..EExtended strand (participates in β ladder)trans-149.8154.2172.868.50000112.3L56 R119 R146L56-S148 CarbonylContact O-C 3.55Å; L56-S148 WeakPolarHBondContact O-CA 3.49Å; L56-S148 VanDerWaalsContact O-CB 3.28Å; L56-S148 WeakPolarHBondContact O-CB 3.5Å; R119-S148 PolarHBondContact NH2-OG 3.35Å; R146-S148 PolarHBondContact O-N 3.45Å
149V93.3Very high91.5Very high0 Ų033 Ų330%021%0.209CC..EExtended strand (participates in β ladder)trans-143.1136.5179.8630000111.1W12 L56 C65 E87 A88 L140 L143W12-V149 HydrophobicContact CE3-CG1 4.09Å; W12-V149 HydrophobicContact CZ3-CB 4.48Å; W12-V149 HydrophobicContact CZ3-CG1 4.09Å; L56-V149 HydrophobicContact CB-CG1 4.06Å; L56-V149 PolarHBondContact N-O 3.13Å; L56-V149 PolarHBondContact O-N 3.04Å; C65-V149 VanDerWaalsContact SG-CG1 3.59Å; E87-V149 HydrophobicContact CB-CG2 4.28Å; E87-V149 WeakPolarHBondContact OE2-CA 3.27Å; A88-V149 HydrophobicContact CB-CG2 4.46Å; L140-V149 HydrophobicContact CD1-CG1 4.37Å; L140-V149 HydrophobicContact CD1-CG2 4.47Å; L143-V149 HydrophobicContact CD2-CB 4.12Å; L143-V149 HydrophobicContact CD2-CG2 3.91Å
150L93.2Very high90.7Very high22 Ų2236.2 Ų36.212%0.11523%0.225CC..EExtended strand (participates in β ladder)trans-87.2135.5167.6-69.6174.8000111P53 V54 L55 S86 E87 F122P53-L150 HydrophobicContact CB-CB 4.34Å; P53-L150 HydrophobicContact CB-CD2 4.17Å; P53-L150 HydrophobicContact CG-CD1 4.39Å; P53-L150 HydrophobicContact CG-CD2 4.32Å; V54-L150 WeakPolarHBondContact O-CA 3.33Å; L55-L150 HydrophobicContact CB-CD2 3.74Å; L55-L150 HydrophobicContact CD1-CD2 3.85Å; L55-L150 HydrophobicContact CD1-CG 4.29Å; L55-L150 HydrophobicContact CG-CD2 4.31Å; S86-L150 VanDerWaalsContact CA-O 3.31Å; S86-L150 WeakPolarHBondContact CA-O 3.41Å; S86-L150 VanDerWaalsContact CB-O 3.26Å; S86-L150 WeakPolarHBondContact CB-O 3.26Å; E87-L150 HydrophobicContact CG-CB 3.99Å; E87-L150 PolarHBondContact N-O 3.4Å; E87-L150 VanDerWaalsContact N-O 3.16Å; E87-L150 PolarHBondContact OE2-N 2.94Å; F122-L150 HydrophobicContact CE1-CB 3.79Å; F122-L150 HydrophobicContact CZ-CB 3.68Å; F122-L150 HydrophobicContact CZ-CD1 3.94Å; F122-L150 HydrophobicContact CZ-CG 4.47Å
151I93.6Very high89.3Confident0 Ų041.5 Ų41.50%025%0.252CS..EExtended strand (participates in β ladder)trans-118.6126.6171-50.6177.5000107.4L21 I24 P53 V54 L56 L67 V84 L140 I154L21-I151 HydrophobicContact CD1-CD1 4.03Å; I24-I151 HydrophobicContact CD1-CB 3.91Å; I24-I151 HydrophobicContact CD1-CG2 3.56Å; I24-I151 WeakPolarHBondContact CD1-O 3.46Å; P53-I151 CarbonylContact C-O 3.5Å; P53-I151 VanDerWaalsContact CA-O 3.32Å; P53-I151 WeakPolarHBondContact CA-O 3.29Å; P53-I151 WeakPolarHBondContact CB-O 3.38Å; V54-I151 PolarHBondContact N-O 3.3Å; V54-I151 PolarHBondContact O-N 2.88Å; L56-I151 HydrophobicContact CD1-CD1 3.51Å; L56-I151 HydrophobicContact CD1-CG1 4.48Å; L56-I151 HydrophobicContact CG-CD1 4.09Å; L67-I151 HydrophobicContact CD1-CD1 3.82Å; L67-I151 HydrophobicContact CD2-CD1 3.61Å; L67-I151 HydrophobicContact CG-CD1 4.33Å; V84-I151 HydrophobicContact CG1-CG2 4.36Å; L140-I151 HydrophobicContact CD1-CD1 3.82Å; L140-I151 HydrophobicContact CD1-CG1 4.08Å; I151-I154 HydrophobicContact CG2-CD1 4.26Å; I151-I154 HydrophobicContact CG2-CG1 3.95Å
152R90.8Very high87.6Confident40 Ų4046.8 Ų46.815%0.15128%0.276CS..EExtended strand (participates in β ladder)trans-96.8-33.5-176.2-169.361.8165.374.4-5.6112.9I24 T48 D49 V51 V85 I112 F122I24-R152 WeakPolarHBondContact CG2-O 3.39Å; T48-R152 PolarHBondContact O-NH1 2.89Å; D49-R152 PolarHBondContact O-NH1 2.94Å; D49-R152 PolarHBondContact O-NH2 3.05Å; V51-R152 PolarHBondContact O-NH1 3.24Å; V85-R152 HydrophobicContact CB-CB 4.11Å; V85-R152 HydrophobicContact CG1-CB 3.77Å; V85-R152 HydrophobicContact CG1-CG 4.44Å; V85-R152 PolarHBondContact O-N 2.93Å; I112-R152 HydrophobicContact CD1-CG 4.22Å; F122-R152 HydrophobicContact CD1-CB 3.93Å; F122-R152 HydrophobicContact CE1-CB 3.83Å
153R91.3Very high85.6Confident5 Ų549.5 Ų49.52%0.01929%0.292CS..EExtended strand (participates in β ladder)trans-160.7140.1-169.5-163.7-179.3-177.4119.93.4111S44 D45 T48 D49 V85 V155S44-R153 PolarHBondContact O-NH2 3.07Å; S44-R153 PolarHBondContact OG-NH2 2.93Å; D45-R153 VanDerWaalsContact CA-NH2 3.27Å; D45-R153 PolarHBondContact O-NH1 3.05Å; D45-R153 IonicContact OD1-CZ 2.69Å; T48-R153 PolarHBondContact OG1-NH1 3.44Å; T48-R153 VanDerWaalsContact OG1-NH1 3.12Å; T48-R153 PolarHBondContact OG1-NH2 2.98Å; D49-R153 IonicContact OD1-NH1 3.07Å; D49-R153 PolarHBondContact OD1-NH1 3.36Å; V85-R153 HydrophobicContact CB-CB 3.93Å; V85-R153 HydrophobicContact CG2-CB 4.01Å; V85-R153 PolarHBondContact N-O 2.85Å; V85-R153 PolarHBondContact O-N 2.84Å; R153-V155 HydrophobicContact CG-CG2 4.06Å
154I93.9Very high83.6Confident0 Ų051.8 Ų51.80%031%0.314CS..EExtended strand (participates in β ladder)trans-131.4110.6169-56.9174.9000107.4L21 I24 L25 L26 L67 L69 M83 V84 I151 V156L21-I154 HydrophobicContact CD1-CD1 3.77Å; L21-I154 HydrophobicContact CG-CD1 4.02Å; I24-I154 HydrophobicContact CD1-CD1 4.5Å; I24-I154 HydrophobicContact CD1-CG1 4.35Å; I24-I154 PolarHBondContact O-N 3.35Å; L25-I154 CarbonylContact C-O 3.46Å; L25-I154 WeakPolarHBondContact CA-O 3.35Å; L25-I154 HydrophobicContact CD1-CB 4.01Å; L25-I154 HydrophobicContact CD1-CG2 3.69Å; L26-I154 PolarHBondContact N-O 3.26Å; L67-I154 HydrophobicContact CD1-CD1 4.02Å; L69-I154 HydrophobicContact CD1-CG2 4.15Å; L69-I154 HydrophobicContact CD2-CG2 4.36Å; M83-I154 CarbonylContact O-C 3.53Å; M83-I154 WeakPolarHBondContact O-CA 3.27Å; V84-I154 HydrophobicContact CG2-CG2 4.4Å; I151-I154 HydrophobicContact CG2-CD1 4.26Å; I151-I154 HydrophobicContact CG2-CG1 3.95Å; I154-V156 HydrophobicContact CG2-CG2 4.08Å
155V92.6Very high81.7Confident0 Ų053.3 Ų53.30%032%0.316CS..EExtended strand (participates in β ladder)trans-101.8132.2172-171.70000108.8L26 V28 L41 L82 M83 R153L26-V155 HydrophobicContact CB-CG1 4.34Å; L26-V155 HydrophobicContact CB-CG2 4.22Å; L26-V155 HydrophobicContact CD1-CG2 4.23Å; L26-V155 WeakPolarHBondContact O-CA 3.35Å; V28-V155 HydrophobicContact CB-CG1 4.32Å; V28-V155 HydrophobicContact CG2-CG1 3.61Å; L41-V155 HydrophobicContact CB-CG1 4.26Å; L41-V155 HydrophobicContact CD1-CG1 4.4Å; L41-V155 HydrophobicContact CD2-CG1 4.1Å; L41-V155 HydrophobicContact CG-CG1 4.49Å; L82-V155 WeakPolarHBondContact CA-O 3.49Å; M83-V155 HydrophobicContact CB-CB 4.29Å; M83-V155 HydrophobicContact CE-CB 4.16Å; M83-V155 HydrophobicContact CE-CG2 3.46Å; M83-V155 VanDerWaalsContact CE-CG2 3.46Å; M83-V155 PolarHBondContact N-O 2.89Å; M83-V155 PolarHBondContact O-N 3.16Å; M83-V155 HydrophobicContact SD-CG2 4.06Å; R153-V155 HydrophobicContact CG-CG2 4.06Å
156V92.8Very high79.8Confident0 Ų055.6 Ų55.60%031%0.313CS..EExtended strand (participates in β ladder)trans-119.8108.6-178.6-176.30000107.9V6 L25 L26 V28 L69 V79 L82 I154 L158V6-V156 HydrophobicContact CG2-CG1 4.42Å; L25-V156 HydrophobicContact CD1-CG2 3.71Å; L26-V156 PolarHBondContact O-N 2.78Å; V28-V156 PolarHBondContact N-O 3.38Å; L69-V156 HydrophobicContact CD1-CG2 4.11Å; V79-V156 HydrophobicContact CB-CG1 4.27Å; V79-V156 HydrophobicContact CG1-CG1 3.82Å; V79-V156 HydrophobicContact CG2-CG1 3.67Å; L82-V156 HydrophobicContact CD2-CB 4.43Å; L82-V156 HydrophobicContact CD2-CG1 4.19Å; L82-V156 HydrophobicContact CD2-CG2 4.03Å; I154-V156 HydrophobicContact CG2-CG2 4.08Å; V156-L158 HydrophobicContact CG1-CD2 3.88Å; V156-L158 HydrophobicContact CG1-CG 4.42Å; V156-L158 PolarHBondContact O-N 3.45Å
157G91.4Very high78.1Confident0 Ų060 Ų600%033%0.329CS..EExtended strand (participates in β ladder)trans-72120.9170.200000109.7V28 V79 S80 S81V28-G157 CarbonylContact O-C 3.5Å; V28-G157 WeakPolarHBondContact O-CA 3.43Å; V79-G157 WeakPolarHBondContact CA-O 3.44Å; S80-G157 PolarHBondContact N-O 2.86Å; S80-G157 PolarHBondContact OG-O 2.86Å; S81-G157 PolarHBondContact N-O 2.86Å; S81-G157 PolarHBondContact O-N 2.91Å; S81-G157 WeakPolarHBondContact OG-CA 3.45Å
158L90.1Very high76.4Confident1 Ų158.8 Ų58.81%0.00533%0.329CS..EExtended strand (participates in β ladder)trans-108.9125.7179.9-63.9177.9000109.6I4 V6 P27 V28 L30 A77 S78 V79 V156I4-L158 HydrophobicContact CB-CD1 4.31Å; I4-L158 HydrophobicContact CG2-CD1 3.75Å; V6-L158 HydrophobicContact CG2-CD1 3.96Å; V6-L158 HydrophobicContact CG2-CD2 3.93Å; V6-L158 HydrophobicContact CG2-CG 4.4Å; P27-L158 HydrophobicContact CB-CD1 3.67Å; P27-L158 HydrophobicContact CB-CG 4.48Å; V28-L158 PolarHBondContact O-N 3.39Å; L30-L158 PolarHBondContact N-O 2.87Å; A77-L158 HydrophobicContact CB-CB 4.32Å; A77-L158 HydrophobicContact CB-CD2 4.35Å; S78-L158 WeakPolarHBondContact O-CA 3.27Å; V79-L158 HydrophobicContact CG2-CD2 4.25Å; V156-L158 HydrophobicContact CG1-CD2 3.88Å; V156-L158 HydrophobicContact CG1-CG 4.42Å; V156-L158 PolarHBondContact O-N 3.45Å
159Q87.6Confident74.8Confident76 Ų7664.7 Ų64.736%0.35537%0.366SS..EExtended strand (participates in β ladder)trans-101.8135.7166.8-170.517545.300108.4A77 S78 L161A77-Q159 WeakPolarHBondContact CA-O 3.15Å; S78-Q159 PolarHBondContact N-O 3.29Å; S78-Q159 PolarHBondContact O-N 3.21Å; S78-Q159 PolarHBondContact OG-O 3.32Å; Q159-L161 PolarHBondContact O-N 2.88Å
160E81.2Confident73.5Confident121 Ų12166.5 Ų66.557%0.56539%0.385SS*.EExtended strand (participates in β ladder)trans-73.9113.8168.5-178.5158.3-144.700108.9S76 Q162S76-E160 WeakPolarHBondContact CB-OE1 3.13Å; S76-E160 PolarHBondContact OG-OE1 3.35Å; E160-Q162 VanDerWaalsContact C-N 3.33Å; E160-Q162 PolarHBondContact O-N 2.8Å
161L67.4Low72.6Confident115 Ų11570.7 Ų70.760%0.60241%0.406SS*.  trans-66.595170.5-167.182.4000107.4S76 Q159S76-L161 WeakPolarHBondContact O-CA 3.33Å; S76-L161 WeakPolarHBondContact O-CB 3.47Å; S76-L161 PolarHBondContact O-N 2.76Å; Q159-L161 PolarHBondContact O-N 2.88Å
162Q57.2Low71.8Confident161 Ų16173.2 Ų73.275%0.75242%0.42SS*.  trans-52.3140.2170.1-72.8-157.611.400108.8E160 A164E160-Q162 VanDerWaalsContact C-N 3.33Å; E160-Q162 PolarHBondContact O-N 2.8Å; Q162-A164 PolarHBondContact O-N 2.84Å
163P48.5Very low71.4Confident127 Ų12772.1 Ų72.183%0.82542%0.417SS*.  trans-67.986.5-18028.2-34.7000109.4
164A48.7Very low70.9Confident70 Ų7079.4 Ų79.458%0.57945%0.451SS*.  trans-51.8129.5177.700000108.4Q162 T166Q162-A164 PolarHBondContact O-N 2.84Å; A164-T166 WeakPolarHBondContact O-CA 3.42Å; A164-T166 PolarHBondContact O-N 2.84Å
165P45.6Very low70.3Confident127 Ų12784.8 Ų84.883%0.82548%0.476SS*.SBendtrans-56.8112-173.723.3-33.7000108.2R167P165-R167 PolarHBondContact O-N 2.83Å
166T44Very low69.9Low136 Ų13687 Ų8783%0.83449%0.49SS*.  trans-38.5103.6-152.250.20000112.4A164 G168A164-T166 WeakPolarHBondContact O-CA 3.42Å; A164-T166 PolarHBondContact O-N 2.84Å; T166-G168 PolarHBondContact O-N 3.42Å
167R52.6Low69.5Low162 Ų16290.6 Ų90.661%0.61151%0.507SS*.  trans-52.1112.6175.8-102.4-175.1175.1179-0.6106.8P165 D172P165-R167 PolarHBondContact O-N 2.83Å; R167-D172 IonicContact CZ-OD2 2.78Å; R167-D172 IonicContact NE-OD2 3.34Å; R167-D172 PolarHBondContact NE-OD2 2.61Å; R167-D172 VanDerWaalsContact NH2-CB 3.25Å; R167-D172 VanDerWaalsContact NH2-CG 3.3Å; R167-D172 IonicContact NH2-OD2 3.88Å; R167-D172 PolarHBondContact NH2-OD2 3.43Å
168G57.1Low69Low48 Ų4893.6 Ų93.650%0.49553%0.527SS..  trans-63.2172.3173.500000110.2T166 G170T166-G168 PolarHBondContact O-N 3.42Å; G168-G170 PolarHBondContact O-N 2.97Å
169P59.2Low68.7Low147 Ų14797.9 Ų97.996%0.95555%0.55SS*.SBendtrans-70.128.7176.831.2-36.7000113.9
170G64.4Low68.6Low38 Ų3896 Ų9639%0.39254%0.543SS..SBendtrans-105.1148.7174.100000111.5G168G168-G170 PolarHBondContact O-N 2.97Å
171I75.6Confident68.7Low111 Ų11197.3 Ų97.357%0.56955%0.549SS*.  trans-68.4133.1177.1-60.3160.8000109.3L173 V176 Q202I171-L173 PolarHBondContact O-N 2.88Å; I171-V176 HydrophobicContact CG2-CG2 3.87Å; I171-Q202 VanDerWaalsContact N-NE2 3.16Å; I171-Q202 PolarHBondContact O-NE2 3.1Å; I171-Q202 PolarHBondContact O-OE1 2.84Å
172D75.9Confident69.5Low52 Ų5299.4 Ų99.428%0.27856%0.556SS.*  trans-70.3105176.2-168.4-37.4000111.3R167 Q174 Q175 V176R167-D172 IonicContact CZ-OD2 2.78Å; R167-D172 IonicContact NE-OD2 3.34Å; R167-D172 PolarHBondContact NE-OD2 2.61Å; R167-D172 VanDerWaalsContact NH2-CB 3.25Å; R167-D172 VanDerWaalsContact NH2-CG 3.3Å; R167-D172 IonicContact NH2-OD2 3.88Å; R167-D172 PolarHBondContact NH2-OD2 3.43Å; D172-Q174 VanDerWaalsContact C-N 3.32Å; D172-Q174 PolarHBondContact O-N 3.04Å; D172-Q174 WeakPolarHBondContact OD1-CA 3.4Å; D172-Q174 WeakPolarHBondContact OD1-CB 3.23Å; D172-Q174 PolarHBondContact OD1-N 2.82Å; D172-Q175 HydrophobicContact CB-CB 4.01Å; D172-Q175 PolarHBondContact O-N 3.31Å; D172-Q175 PolarHBondContact OD1-N 2.88Å; D172-V176 WeakPolarHBondContact O-CG2 3.33Å; D172-V176 PolarHBondContact O-N 3.48Å; D172-V176 VanDerWaalsContact O-N 3.09Å
173L82.6Confident70.4Confident17 Ų1797.7 Ų97.79%0.08955%0.55CS..Hα-helixtrans-76.4-17.9-176.7-67.7161.9000113.1I171 Q177 L195 V198 Q199I171-L173 PolarHBondContact O-N 2.88Å; L173-Q177 WeakPolarHBondContact O-CB 3.36Å; L173-Q177 WeakPolarHBondContact O-CG 3.3Å; L173-Q177 PolarHBondContact O-N 2.87Å; L173-Q177 PolarHBondContact O-NE2 3.01Å; L173-L195 HydrophobicContact CD2-CD1 3.5Å; L173-L195 HydrophobicContact CD2-CG 4.26Å; L173-V198 HydrophobicContact CD1-CG1 4.38Å; L173-V198 HydrophobicContact CD2-CG1 4.09Å; L173-Q199 HydrophobicContact CD1-CB 3.65Å; L173-Q199 HydrophobicContact CD1-CG 3.85Å
174Q80.1Confident71.6Confident159 Ų15994.9 Ų94.974%0.74354%0.544SS*.Hα-helixtrans-74.4-42.6171.2-64.7-170.2-78.900109.9D172 V176 Q177 S178D172-Q174 VanDerWaalsContact C-N 3.32Å; D172-Q174 PolarHBondContact O-N 3.04Å; D172-Q174 WeakPolarHBondContact OD1-CA 3.4Å; D172-Q174 WeakPolarHBondContact OD1-CB 3.23Å; D172-Q174 PolarHBondContact OD1-N 2.82Å; Q174-V176 VanDerWaalsContact C-N 3.3Å; Q174-V176 PolarHBondContact O-N 3.21Å; Q174-Q177 PolarHBondContact O-N 3.03Å; Q174-Q177 VanDerWaalsContact O-N 3.14Å; Q174-S178 PolarHBondContact O-N 2.96Å; Q174-S178 PolarHBondContact O-OG 2.84Å
175Q82.8Confident72.9Confident112 Ų11295.4 Ų95.452%0.52354%0.54SS..Hα-helixtrans-63.2-35.2174.1-169.31743.800112.4D172 S178 L179D172-Q175 HydrophobicContact CB-CB 4.01Å; D172-Q175 PolarHBondContact O-N 3.31Å; D172-Q175 PolarHBondContact OD1-N 2.88Å; Q175-S178 PolarHBondContact O-OG 3.41Å; Q175-S178 VanDerWaalsContact O-OG 3.08Å; Q175-L179 WeakPolarHBondContact O-CB 3.42Å; Q175-L179 PolarHBondContact O-N 2.86Å
176V83.7Confident74.6Confident48 Ų4895 Ų9529%0.29154%0.54SS..Hα-helixtrans-68.9-38.2172.3173.70000111.9I171 D172 Q174 V180 L195I171-V176 HydrophobicContact CG2-CG2 3.87Å; D172-V176 WeakPolarHBondContact O-CG2 3.33Å; D172-V176 PolarHBondContact O-N 3.48Å; D172-V176 VanDerWaalsContact O-N 3.09Å; Q174-V176 VanDerWaalsContact C-N 3.3Å; Q174-V176 PolarHBondContact O-N 3.21Å; V176-V180 WeakPolarHBondContact O-CB 3.2Å; V176-V180 VanDerWaalsContact O-CG2 3.29Å; V176-V180 WeakPolarHBondContact O-CG2 3.49Å; V176-V180 PolarHBondContact O-N 3.48Å; V176-V180 VanDerWaalsContact O-N 3.13Å; V176-L195 HydrophobicContact CB-CD1 4.43Å; V176-L195 HydrophobicContact CG1-CD1 3.64Å
177Q83.8Confident76.4Confident75 Ų7591 Ų9135%0.3551%0.514SS..Hα-helixtrans-66.5-46176-82.2163.490.700111.8L173 Q174 L179 V180 E181 L195L173-Q177 WeakPolarHBondContact O-CB 3.36Å; L173-Q177 WeakPolarHBondContact O-CG 3.3Å; L173-Q177 PolarHBondContact O-N 2.87Å; L173-Q177 PolarHBondContact O-NE2 3.01Å; Q174-Q177 PolarHBondContact O-N 3.03Å; Q174-Q177 VanDerWaalsContact O-N 3.14Å; Q177-L179 VanDerWaalsContact C-N 3.32Å; Q177-L179 PolarHBondContact O-N 2.98Å; Q177-V180 WeakPolarHBondContact O-CB 3.39Å; Q177-V180 PolarHBondContact O-N 2.88Å; Q177-V180 VanDerWaalsContact O-N 3.15Å; Q177-E181 WeakPolarHBondContact O-CG 3.47Å; Q177-E181 PolarHBondContact O-N 3.22Å; Q177-L195 HydrophobicContact CG-CD2 4.16Å
178S81.2Confident78Confident62 Ų6286.8 Ų86.843%0.43451%0.509SS..Hα-helixtrans-62-39178.662.20000112.3Q174 Q175 E181 E182Q174-S178 PolarHBondContact O-N 2.96Å; Q174-S178 PolarHBondContact O-OG 2.84Å; Q175-S178 PolarHBondContact O-OG 3.41Å; Q175-S178 VanDerWaalsContact O-OG 3.08Å; S178-E181 PolarHBondContact O-N 3.28Å; S178-E182 VanDerWaalsContact O-CB 3.28Å; S178-E182 WeakPolarHBondContact O-CB 3.44Å; S178-E182 PolarHBondContact O-N 2.88Å
179L83.4Confident79.4Confident92 Ų9289.5 Ų89.548%0.48252%0.518SS..Hα-helixtrans-65.6-38175.3-177.864.4000112.4Q175 Q177 M183Q175-L179 WeakPolarHBondContact O-CB 3.42Å; Q175-L179 PolarHBondContact O-N 2.86Å; Q177-L179 VanDerWaalsContact C-N 3.32Å; Q177-L179 PolarHBondContact O-N 2.98Å; L179-M183 WeakPolarHBondContact O-CB 3.33Å; L179-M183 VanDerWaalsContact O-CG 3.27Å; L179-M183 WeakPolarHBondContact O-CG 3.35Å; L179-M183 PolarHBondContact O-N 3.21Å
180V84.8Confident80.8Confident35 Ų3584.6 Ų84.621%0.21249%0.494CS..Hα-helixtrans-66.2-39175162.40000111.6V176 Q177 L187V176-V180 WeakPolarHBondContact O-CB 3.2Å; V176-V180 VanDerWaalsContact O-CG2 3.29Å; V176-V180 WeakPolarHBondContact O-CG2 3.49Å; V176-V180 PolarHBondContact O-N 3.48Å; V176-V180 VanDerWaalsContact O-N 3.13Å; Q177-V180 WeakPolarHBondContact O-CB 3.39Å; Q177-V180 PolarHBondContact O-N 2.88Å; Q177-V180 VanDerWaalsContact O-N 3.15Å; V180-L187 HydrophobicContact CG1-CD1 4.37Å; V180-L187 HydrophobicContact CG1-CD2 4.25Å; V180-L187 HydrophobicContact CG1-CG 3.85Å; V180-L187 HydrophobicContact CG2-CD1 4.33Å; V180-L187 HydrophobicContact CG2-CD2 3.85Å; V180-L187 HydrophobicContact CG2-CG 4.16Å
181E83.5Confident81.9Confident149 Ų14984.3 Ų84.370%0.69649%0.488SS*.Hα-helixtrans-69.1-43.8175.7-71.4174-179.800111.7Q177 S178 M183 G184Q177-E181 WeakPolarHBondContact O-CG 3.47Å; Q177-E181 PolarHBondContact O-N 3.22Å; S178-E181 PolarHBondContact O-N 3.28Å; E181-M183 PolarHBondContact O-N 2.92Å; E181-G184 PolarHBondContact O-N 3.1Å
182E84.3Confident82.5Confident159 Ų15982.7 Ų82.774%0.74348%0.478SS*.Hα-helixtrans-59.9-43.2175.8-174.3-167.9152.200112.2S178 G184S178-E182 VanDerWaalsContact O-CB 3.28Å; S178-E182 WeakPolarHBondContact O-CB 3.44Å; S178-E182 PolarHBondContact O-N 2.88Å; E182-G184 PolarHBondContact O-N 3.49Å; E182-G184 VanDerWaalsContact O-N 3.13Å
183M77.9Confident83.1Confident125 Ų12585.2 Ų85.262%0.61649%0.491SS*.THydrogen-bonded Turntrans-65.2-11.5174.9-73.9-176.967.800113.5L179 E181 T185L179-M183 WeakPolarHBondContact O-CB 3.33Å; L179-M183 VanDerWaalsContact O-CG 3.27Å; L179-M183 WeakPolarHBondContact O-CG 3.35Å; L179-M183 PolarHBondContact O-N 3.21Å; E181-M183 PolarHBondContact O-N 2.92Å; M183-T185 PolarHBondContact O-N 2.99Å
184G73.4Confident83.5Confident68 Ų6889.3 Ų89.370%0.70151%0.513SS*.THydrogen-bonded Turntrans65.97.1179.100000114.8E181 E182E181-G184 PolarHBondContact O-N 3.1Å; E182-G184 PolarHBondContact O-N 3.49Å; E182-G184 VanDerWaalsContact O-N 3.13Å
185T76.1Confident83.8Confident81 Ų8183 Ų8350%0.49748%0.484SS..  trans-105.9115.4-176.353.30000110.9M183 L187M183-T185 PolarHBondContact O-N 2.99Å; T185-L187 PolarHBondContact O-N 3.21Å
186S80.1Confident84Confident120 Ų12081 Ų8184%0.83948%0.477SS*.PPolyproline II helixtrans-61.6136169.950.10000111.1
187L81.9Confident84.1Confident52 Ų5283.2 Ų83.227%0.27249%0.485SS..PPolyproline II helixtrans-60.8142.9176.7-70.6178.3000110.8V180 T185 A191 Q192 L195V180-L187 HydrophobicContact CG1-CD1 4.37Å; V180-L187 HydrophobicContact CG1-CD2 4.25Å; V180-L187 HydrophobicContact CG1-CG 3.85Å; V180-L187 HydrophobicContact CG2-CD1 4.33Å; V180-L187 HydrophobicContact CG2-CD2 3.85Å; V180-L187 HydrophobicContact CG2-CG 4.16Å; T185-L187 PolarHBondContact O-N 3.21Å; L187-A191 HydrophobicContact CB-CB 4.14Å; L187-A191 HydrophobicContact CD2-CB 4.12Å; L187-Q192 HydrophobicContact CB-CB 4.37Å; L187-L195 HydrophobicContact CD1-CB 4.45Å; L187-L195 HydrophobicContact CD1-CD2 3.92Å
188S86Confident84.1Confident72 Ų7282 Ų8250%0.50348%0.483SS..PPolyproline II helixtrans-59.5151168.673.60000110.2G190 A191 Q192S188-G190 PolarHBondContact O-N 2.84Å; S188-A191 WeakPolarHBondContact O-CA 3.43Å; S188-A191 PolarHBondContact O-N 3.39Å; S188-A191 WeakPolarHBondContact OG-CB 3.49Å; S188-A191 PolarHBondContact OG-N 2.77Å; S188-Q192 PolarHBondContact O-N 2.87Å
189P86.8Confident84.3Confident106 Ų10683.5 Ų83.569%0.68848%0.483SS*.Hα-helixtrans-56-28.6-179.9-2835.6000114N193P189-N193 WeakPolarHBondContact O-CB 3.34Å; P189-N193 VanDerWaalsContact O-CG 3.32Å; P189-N193 PolarHBondContact O-N 3.2Å; P189-N193 PolarHBondContact O-ND2 2.73Å
190G88.5Confident84.3Confident44 Ų4485.9 Ų85.945%0.45449%0.49SS..Hα-helixtrans-70.6-41.5172.300000113.1S188 L194S188-G190 PolarHBondContact O-N 2.84Å; G190-L194 WeakPolarHBondContact O-CG 3.49Å; G190-L194 PolarHBondContact O-N 2.85Å; G190-L194 VanDerWaalsContact O-N 3.11Å
191A87.9Confident84.1Confident32 Ų3288.7 Ų88.726%0.26450%0.501SS..Hα-helixtrans-70.3-38178.200000112.5L187 S188 L194 L195L187-A191 HydrophobicContact CB-CB 4.14Å; L187-A191 HydrophobicContact CD2-CB 4.12Å; S188-A191 WeakPolarHBondContact O-CA 3.43Å; S188-A191 PolarHBondContact O-N 3.39Å; S188-A191 WeakPolarHBondContact OG-CB 3.49Å; S188-A191 PolarHBondContact OG-N 2.77Å; A191-L194 PolarHBondContact O-N 2.81Å; A191-L195 PolarHBondContact O-N 3.2Å
192Q88.5Confident83.9Confident76 Ų7684 Ų8436%0.35548%0.478SS..Hα-helixtrans-61.1-50172.9-171.665.154.700111.1L187 S188 L194 L195 D196L187-Q192 HydrophobicContact CB-CB 4.37Å; S188-Q192 PolarHBondContact O-N 2.87Å; Q192-L194 PolarHBondContact O-N 2.94Å; Q192-L195 WeakPolarHBondContact O-CB 3.49Å; Q192-L195 PolarHBondContact O-N 2.91Å; Q192-D196 PolarHBondContact NE2-OD1 2.91Å; Q192-D196 PolarHBondContact O-N 3.49Å
193N88.6Confident83.5Confident105 Ų10583.9 Ų83.956%0.56148%0.475SS*.Hα-helixtrans-58.2-32.1176.4-78.5-49.1000112.9P189 M197P189-N193 WeakPolarHBondContact O-CB 3.34Å; P189-N193 VanDerWaalsContact O-CG 3.32Å; P189-N193 PolarHBondContact O-N 3.2Å; P189-N193 PolarHBondContact O-ND2 2.73Å; N193-M197 WeakPolarHBondContact O-CB 3.37Å; N193-M197 PolarHBondContact O-N 2.87Å
194L89.4Confident83.3Confident103 Ų10382.3 Ų82.354%0.53947%0.47SS..Hα-helixtrans-72.6-41.3173.8-73.9168.3000112.1G190 A191 Q192 M197 V198G190-L194 WeakPolarHBondContact O-CG 3.49Å; G190-L194 PolarHBondContact O-N 2.85Å; G190-L194 VanDerWaalsContact O-N 3.11Å; A191-L194 PolarHBondContact O-N 2.81Å; Q192-L194 PolarHBondContact O-N 2.94Å; L194-M197 HydrophobicContact CD2-CE 4.09Å; L194-M197 PolarHBondContact O-N 2.85Å; L194-V198 WeakPolarHBondContact O-CG2 3.43Å; L194-V198 PolarHBondContact O-N 2.9Å
195L86.9Confident82.8Confident26 Ų2682.7 Ų82.714%0.13645%0.453CS..Hα-helixtrans-60.3-48.8175-16974.6000110.9L173 V176 Q177 L187 A191 Q192 M197 V198 Q199L173-L195 HydrophobicContact CD2-CD1 3.5Å; L173-L195 HydrophobicContact CD2-CG 4.26Å; V176-L195 HydrophobicContact CB-CD1 4.43Å; V176-L195 HydrophobicContact CG1-CD1 3.64Å; Q177-L195 HydrophobicContact CG-CD2 4.16Å; L187-L195 HydrophobicContact CD1-CB 4.45Å; L187-L195 HydrophobicContact CD1-CD2 3.92Å; A191-L195 PolarHBondContact O-N 3.2Å; Q192-L195 WeakPolarHBondContact O-CB 3.49Å; Q192-L195 PolarHBondContact O-N 2.91Å; L195-M197 VanDerWaalsContact C-N 3.31Å; L195-M197 PolarHBondContact O-N 3.36Å; L195-V198 PolarHBondContact O-N 3.31Å; L195-Q199 WeakPolarHBondContact O-CB 3.19Å; L195-Q199 PolarHBondContact O-N 2.89Å
196D87.4Confident81.9Confident71 Ų7184.9 Ų84.938%0.3847%0.467SS..Hα-helixtrans-61.3-39.3177.5-59.9-7.4000111.3Q192 Q199 F200Q192-D196 PolarHBondContact NE2-OD1 2.91Å; Q192-D196 PolarHBondContact O-N 3.49Å; D196-Q199 PolarHBondContact O-N 2.84Å; D196-F200 WeakPolarHBondContact O-CB 3.27Å; D196-F200 PolarHBondContact O-N 3.4Å
197M86.3Confident80.6Confident95 Ų9582.4 Ų82.447%0.46846%0.46SS..Hα-helixtrans-67-42.4176.2-170.8-162.2-51.100112.1N193 L194 L195 Q199 F200 Q201N193-M197 WeakPolarHBondContact O-CB 3.37Å; N193-M197 PolarHBondContact O-N 2.87Å; L194-M197 HydrophobicContact CD2-CE 4.09Å; L194-M197 PolarHBondContact O-N 2.85Å; L195-M197 VanDerWaalsContact C-N 3.31Å; L195-M197 PolarHBondContact O-N 3.36Å; M197-Q199 VanDerWaalsContact C-N 3.34Å; M197-F200 PolarHBondContact O-N 2.88Å; M197-Q201 WeakPolarHBondContact O-CG 3.25Å; M197-Q201 PolarHBondContact O-N 3.39Å
198V83.7Confident78.9Confident49 Ų4984.3 Ų84.330%0.29748%0.478SS..Hα-helixtrans-65.5-40174.6172.80000110.2L173 L194 L195 F200 Q201 Q202L173-V198 HydrophobicContact CD1-CG1 4.38Å; L173-V198 HydrophobicContact CD2-CG1 4.09Å; L194-V198 WeakPolarHBondContact O-CG2 3.43Å; L194-V198 PolarHBondContact O-N 2.9Å; L195-V198 PolarHBondContact O-N 3.31Å; V198-F200 PolarHBondContact O-N 3.38Å; V198-Q201 PolarHBondContact O-N 2.92Å; V198-Q202 HydrophobicContact CG1-CG 4.34Å; V198-Q202 WeakPolarHBondContact O-CG 3.43Å; V198-Q202 PolarHBondContact O-N 3.5Å
199Q84.9Confident77.3Confident93 Ų9387.3 Ų87.344%0.43549%0.487SS..Hα-helixtrans-59.7-46173.6-163.9-176.465.700111.9L173 L195 D196 M197 K203L173-Q199 HydrophobicContact CD1-CB 3.65Å; L173-Q199 HydrophobicContact CD1-CG 3.85Å; L195-Q199 WeakPolarHBondContact O-CB 3.19Å; L195-Q199 PolarHBondContact O-N 2.89Å; D196-Q199 PolarHBondContact O-N 2.84Å; M197-Q199 VanDerWaalsContact C-N 3.34Å; Q199-K203 WeakPolarHBondContact O-CB 3.43Å; Q199-K203 PolarHBondContact O-N 3.08Å
200F82.9Confident75.5Confident143 Ų14384.2 Ų84.263%0.62748%0.475SS*.Hα-helixtrans-63.9-40.6176-173.2-100.7000112.1D196 M197 V198 N204D196-F200 WeakPolarHBondContact O-CB 3.27Å; D196-F200 PolarHBondContact O-N 3.4Å; M197-F200 PolarHBondContact O-N 2.88Å; V198-F200 PolarHBondContact O-N 3.38Å; F200-N204 VanDerWaalsContact CE1-ND2 3.3Å; F200-N204 WeakPolarHBondContact CE1-ND2 3.5Å; F200-N204 WeakPolarHBondContact CE2-ND2 3.46Å; F200-N204 VanDerWaalsContact CZ-ND2 3.28Å; F200-N204 WeakPolarHBondContact CZ-ND2 3.32Å; F200-N204 PolarHBondContact O-N 3.13Å; F200-N204 PolarHBondContact O-ND2 3.36Å
201Q81.6Confident73.8Confident94 Ų9484.8 Ų84.844%0.43948%0.481SS..Hα-helixtrans-64.6-49.1176.7-74.7-178.345.800112M197 V198 N204 Q205M197-Q201 WeakPolarHBondContact O-CG 3.25Å; M197-Q201 PolarHBondContact O-N 3.39Å; V198-Q201 PolarHBondContact O-N 2.92Å; Q201-N204 PolarHBondContact O-N 3.14Å; Q201-Q205 VanDerWaalsContact O-CG 3.29Å; Q201-Q205 WeakPolarHBondContact O-CG 3.49Å; Q201-Q205 PolarHBondContact O-N 3.47Å; Q201-Q205 VanDerWaalsContact O-N 3.16Å; Q201-Q205 PolarHBondContact O-NE2 3.37Å
202Q78.1Confident72Confident49 Ų4989.9 Ų89.923%0.22950%0.497CS..Hα-helixtrans-61.7-45.9178.3-70.1-175.223.200111.9I171 V198 N204 Q205I171-Q202 VanDerWaalsContact N-NE2 3.16Å; I171-Q202 PolarHBondContact O-NE2 3.1Å; I171-Q202 PolarHBondContact O-OE1 2.84Å; V198-Q202 HydrophobicContact CG1-CG 4.34Å; V198-Q202 WeakPolarHBondContact O-CG 3.43Å; V198-Q202 PolarHBondContact O-N 3.5Å; Q202-N204 PolarHBondContact O-N 3.28Å; Q202-Q205 PolarHBondContact O-N 2.77Å
203K77.1Confident70.4Confident157 Ų15790 Ų9068%0.68350%0.5SS*.Hα-helixtrans-61.3-26.1-178.9-174170.8-177.8173.40113.4Q199 T206Q199-K203 WeakPolarHBondContact O-CB 3.43Å; Q199-K203 PolarHBondContact O-N 3.08Å; K203-T206 PolarHBondContact O-OG1 2.82Å
204N72.4Confident68.7Low93 Ų9389 Ų8950%0.49750%0.499SS..Hα-helixtrans-90.2-22.1175.4-72.3-59000113.6F200 Q201 Q202 T206F200-N204 VanDerWaalsContact CE1-ND2 3.3Å; F200-N204 WeakPolarHBondContact CE1-ND2 3.5Å; F200-N204 WeakPolarHBondContact CE2-ND2 3.46Å; F200-N204 VanDerWaalsContact CZ-ND2 3.28Å; F200-N204 WeakPolarHBondContact CZ-ND2 3.32Å; F200-N204 PolarHBondContact O-N 3.13Å; F200-N204 PolarHBondContact O-ND2 3.36Å; Q201-N204 PolarHBondContact O-N 3.14Å; Q202-N204 PolarHBondContact O-N 3.28Å; N204-T206 VanDerWaalsContact C-N 3.33Å; N204-T206 PolarHBondContact O-N 2.92Å
205Q64.8Low66.9Low76 Ų7689.7 Ų89.736%0.35550%0.503SS..Hα-helixtrans-74.5-18.7-179.3-77.9172.249.600114.2Q201 Q202 G207 L213Q201-Q205 VanDerWaalsContact O-CG 3.29Å; Q201-Q205 WeakPolarHBondContact O-CG 3.49Å; Q201-Q205 PolarHBondContact O-N 3.47Å; Q201-Q205 VanDerWaalsContact O-N 3.16Å; Q201-Q205 PolarHBondContact O-NE2 3.37Å; Q202-Q205 PolarHBondContact O-N 2.77Å; Q205-G207 VanDerWaalsContact C-N 3.27Å; Q205-G207 PolarHBondContact O-N 2.89Å; Q205-L213 HydrophobicContact CG-CD1 3.93Å
206T56.6Low65.2Low127 Ų12795 Ų9578%0.77953%0.53SS*.THydrogen-bonded Turntrans-72.9-14.5178.654.50000114.2K203 N204K203-T206 PolarHBondContact O-OG1 2.82Å; N204-T206 VanDerWaalsContact C-N 3.33Å; N204-T206 PolarHBondContact O-N 2.92Å
207G51.5Low63.5Low67 Ų6799.8 Ų99.869%0.69155%0.553SS**THydrogen-bonded Turntrans-89.8-40-171.600000115.8Q205Q205-G207 VanDerWaalsContact C-N 3.27Å; Q205-G207 PolarHBondContact O-N 2.89Å
208S47.4Very low61.6Low93 Ų9399.2 Ų99.265%0.6557%0.571SS**SBendtrans-168.6156179.5-166.70000111.6G210S208-G210 VanDerWaalsContact C-N 3.29Å; S208-G210 PolarHBondContact O-N 2.86Å
209L51.3Low59.8Low134 Ų13499.2 Ų99.270%0.70258%0.581SS**  trans59.917.9172-68.7167.6000117.8G211 F212L209-G211 PolarHBondContact O-N 2.79Å; L209-F212 HydrophobicContact CD2-CD2 4.26Å; L209-F212 HydrophobicContact CD2-CE2 4.02Å
210G49.4Very low57.7Low42 Ų4298.7 Ų98.743%0.43360%0.6SS.*THydrogen-bonded Turntrans-60.85.2178.100000117.6S208S208-G210 VanDerWaalsContact C-N 3.29Å; S208-G210 PolarHBondContact O-N 2.86Å
211G52.5Low56Low56 Ų5695.2 Ų95.258%0.57760%0.598SS**THydrogen-bonded Turntrans-89.6-8.9-179.900000116.2L209L209-G211 PolarHBondContact O-N 2.79Å
212F50.9Low54.3Low139 Ų139100.3 Ų100.361%0.6162%0.619SS**SBendtrans-101.3-17-169.7-74.2-80.4000115.9L209 L215L209-F212 HydrophobicContact CD2-CD2 4.26Å; L209-F212 HydrophobicContact CD2-CE2 4.02Å; F212-L215 HydrophobicContact CD1-CD1 4.1Å; F212-L215 WeakPolarHBondContact O-CB 3.47Å; F212-L215 PolarHBondContact O-N 2.71Å
213L54.2Low52.6Low77 Ų77104.3 Ų104.340%0.40365%0.652SS.*G310 helixtrans-71-31.5-179.8-67.8172.5000114.9Q205 L215 L216 M217Q205-L213 HydrophobicContact CG-CD1 3.93Å; L213-L215 PolarHBondContact O-N 3.37Å; L213-L216 HydrophobicContact CD2-CD2 4.32Å; L213-L216 PolarHBondContact O-N 3.49Å; L213-M217 PolarHBondContact O-N 2.95Å
214P53.2Low50.7Low84 Ų84101.4 Ų101.455%0.54566%0.658SS.*G310 helixtrans-57.4-29.1170.1-27.336.7000113.8L216P214-L216 VanDerWaalsContact C-N 3.35Å
215L52.6Low49.3Very low118 Ų118105.6 Ų105.662%0.61868%0.679SS**G310 helixtrans-78.8-16.2177.3-62.9170.2000113.3F212 L213F212-L215 HydrophobicContact CD1-CD1 4.1Å; F212-L215 WeakPolarHBondContact O-CB 3.47Å; F212-L215 PolarHBondContact O-N 2.71Å; L213-L215 PolarHBondContact O-N 3.37Å
216L51.2Low48Very low138 Ų138107 Ų10772%0.72370%0.704SS**THydrogen-bonded Turntrans-94.5-21.4-177.9-158.669.8000112.7L213 P214L213-L216 HydrophobicContact CD2-CD2 4.32Å; L213-L216 PolarHBondContact O-N 3.49Å; P214-L216 VanDerWaalsContact C-N 3.35Å
217M51.5Low46.8Very low171 Ų171105.1 Ų105.184%0.84271%0.71SS**THydrogen-bonded Turntrans-108.747.2-179.6-74.1-66.8-16700113.1L213 G219L213-M217 PolarHBondContact O-N 2.95Å; M217-G219 PolarHBondContact O-N 2.75Å
218G46.3Very low45.7Very low84 Ų84105.7 Ų105.787%0.86672%0.716SS**THydrogen-bonded Turntrans65.99.4158.800000118
219G45.5Very low44.9Very low48 Ų48106.3 Ų106.350%0.49573%0.726SS.*  trans-81.9144.3175.600000112.8M217M217-G219 PolarHBondContact O-N 2.75Å
220G41.4Very low43.9Very low82 Ų82106.8 Ų106.885%0.84574%0.735SS**  trans-65147.4179.100000113.6
221A45.5Very low43Very low70 Ų70109.3 Ų109.358%0.57975%0.752SS**  trans-72.5174.5173.400000112.6
222F46.9Very low41.8Very low202 Ų202117.3 Ų117.389%0.88677%0.765SS**  trans80.576.2175.1-51.5-75.4000117.7
223S42Very low40.7Very low132 Ų132118.3 Ų118.392%0.92378%0.777SS**  trans-160.373.1143.7-84.90000111.3
224A37.2Very low39.4Very low96 Ų96123.3 Ų123.379%0.79380%0.798SS**  trans-152.120.4-178.300000115.4
225L42.8Very low38.9Very low181 Ų181123.6 Ų123.695%0.94880%0.8SS**  trans-142.272.5175.2-75.4179.8000111.6
226A37.4Very low37.9Very low105 Ų105126.3 Ų126.387%0.86881%0.809SS**  trans-143.2123.2170.600000110.6
227G31.9Very low37.3Very low89 Ų89125.2 Ų125.292%0.91881%0.81SS**  trans108.2109.7178.200000113.9
228G28.8Very low36.2Very low78 Ų78121.6 Ų121.680%0.80481%0.807SS**  trans158.337.3178.900000116T230G228-T230 PolarHBondContact O-N 2.98Å
229A30.5Very low35.2Very low106 Ų106124.2 Ų124.288%0.87680%0.801SS**  trans-80.5112.2-177.100000112.5
230T29.1Very low34.3Very low144 Ų144128 Ų12888%0.88382%0.815SS**  trans-127.7146.2155.753.40000109.3G228G228-T230 PolarHBondContact O-N 2.98Å
231A30.9Very low33.7Very low96 Ų96130.3 Ų130.379%0.79381%0.813SS**  trans-105.1157.4-163.500000113.6
232R28.3Very low33.8Very low223 Ų223132.5 Ų132.584%0.84282%0.821SS**  trans70.296.1144.5-167.1179.2-168.9146.43.2117
233N26.5Very low33.3Very low161 Ų161128.7 Ų128.786%0.86182%0.816SS**  -156.3146.6109-94-31.3000113.1
234Q28.6Very low32.6Very low182 Ų182131.1 Ų131.185%0.8581%0.813SS**  trans-101.1-173.2174.2-122.3-171.5-20.600108.5
235P42.6Very low33.7Very low89 Ų89131.6 Ų131.658%0.57881%0.808SS**  cis-134.9160.3-20.631.5-12.9000114.4
236H30.3Very low33Very low176 Ų176129.3 Ų129.382%0.81580%0.796SS**  178.5143.5110.6-115-82.1000113.5
237P40Very low32.5Very low115 Ų115134 Ų13475%0.74779%0.791SS**  trans-115.2154.6173.739.7-31.1000114.7
238A26.8Very low32.5Very low94 Ų94135.2 Ų135.278%0.77779%0.785SS**  trans-165149.9156.300000106.5
239D25.6Very low32.5Very low140 Ų140136 Ų13675%0.74978%0.784SS**  cis-156.9172.21.6-144.4-30.4000111.4
240T27.4Very low32.3Very low126 Ų126137.9 Ų137.977%0.77378%0.779SS**  trans65.6134.8157.853.20000122.7
241T29.1Very low32.4Very low132 Ų132137.6 Ų137.681%0.8177%0.772SS**  trans-87.2-167.8167.155.40000111
242P46.3Very low32.3Very low116 Ų116138.6 Ų138.675%0.75377%0.768SS**  cis-119.9-142.1-12.738.1-16.4000109.4
243P36.4Very low32.8Very low121 Ų121133.3 Ų133.379%0.78676%0.763SS**  cis-132.2-151.4-13.143.7-23.5000114.1
244E28.5Very low33Very low184 Ų184130.9 Ų130.986%0.8676%0.758SS**  trans-114.1-143.5175.8-59.4-172.6123.800113.8
245P59.1Low33.3Very low106 Ų106129.2 Ų129.269%0.68875%0.75SS**  -117.6-170-129.338.1-16.2000113.6
246I29.3Very low32.8Very low132 Ų132131.7 Ų131.768%0.67776%0.759SS**  trans-176.2132.2150.6-105153.2000115.9
247R27.1Very low32.6Very low205 Ų205126.9 Ų126.977%0.77476%0.756SS**  trans53.1157.5147.4-62176.4-173107.35.1121.7
248S31Very low32Very low114 Ų114124.9 Ų124.980%0.79776%0.757SS**  cis134157.7-12.7-72.60000112
249A28.9Very low32.3Very low93 Ų93129.7 Ų129.777%0.76977%0.765SS**  trans75.5145.7-175.900000114.4
250D26.8Very low32.6Very low147 Ų147128.9 Ų128.979%0.78677%0.771SS**  cis-154-174.2-3.4-125.7-31.9000108.3
251L30.4Very low32.7Very low138 Ų138131.4 Ų131.472%0.72377%0.774SS**  cis-153.6-16311.4-134.5-178000110.3
252T29.8Very low32.6Very low116 Ų116128.5 Ų128.571%0.71277%0.77SS**  trans-141.5-169.5174.363.40000109.5
253P39.2Very low31.8Very low113 Ų113128 Ų12873%0.73477%0.769SS**  cis-140.5179.5-7.843.1-25.7000117.1
254S29Very low31.5Very low109 Ų109128.7 Ų128.776%0.76277%0.772SS**  trans68.6157150.7-131.60000118.9
255H35.8Very low31.7Very low147 Ų147125.3 Ų125.368%0.68177%0.768SS**  cis-167.6137.425.1-177.1-124000112.9
256N31.8Very low30.5Very low142 Ų142125.9 Ų125.976%0.75977%0.772SS**  trans51157.1157.8-62.35.7000121.9
257G26.9Very low30.3Very low74 Ų74125.5 Ų125.576%0.76377%0.771SS**  cis157.4154.8-7.600000113.7
258G26.6Very low30.5Very low74 Ų74123.2 Ų123.276%0.76377%0.773SS**  trans95.9112.7178.800000113.3
259M33.3Very low30.3Very low194 Ų194122.1 Ų122.196%0.95677%0.766SS**  75.4107.757.9-64.5-176.377.600114.9
260S32.1Very low30.3Very low123 Ų123126.2 Ų126.286%0.8677%0.774SS**  trans-153.5137.4150.5-168.70000110.6
261E29.5Very low30.4Very low180 Ų180124 Ų12484%0.84177%0.77SS**  trans-74.7170.6160.4-66.2149.6178.400108.5
262G26.9Very low30.3Very low71 Ų71124.6 Ų124.673%0.73277%0.774SS**  cis140.5103.71.500000110
263S30.3Very low30.3Very low105 Ų105126.7 Ų126.773%0.73478%0.779SS**  trans-153.697.9-176.959.90000114.2
264T28.8Very low29.9Very low136 Ų136125.6 Ų125.683%0.83477%0.774SS**  49.1108123.959.10000120.3
265S33.2Very low30Very low112 Ų112126.4 Ų126.478%0.78378%0.78SS**  trans-64.4151.3154-41.30000111.8
266P34.3Very low29.8Very low118 Ų118125.5 Ų125.577%0.76678%0.78SS**  trans-79.7115.5162.731.4-29.8000110.3
267D24.5Very low29.8Very low125 Ų125126.4 Ų126.467%0.66879%0.785SS**  trans-71.9144.7160.1176.142.3000109.9S269D267-S269 PolarHBondContact OD1-N 2.98Å; D267-S269 PolarHBondContact OD2-N 2.9Å; D267-S269 PolarHBondContact OD2-OG 2.82Å
268L30.5Very low29.9Very low156 Ų156129.3 Ų129.382%0.81779%0.788SS**  trans-133.565.9170.9-74.7-179.7000109.7L270L268-L270 PolarHBondContact O-N 2.93Å
269S28.1Very low30.3Very low92 Ų92132.2 Ų132.264%0.64379%0.791SS**  trans-48.3118.8165.4-73.60000111.4D267D267-S269 PolarHBondContact OD1-N 2.98Å; D267-S269 PolarHBondContact OD2-N 2.9Å; D267-S269 PolarHBondContact OD2-OG 2.82Å
270L28.3Very low30.2Very low179 Ų179128.4 Ų128.494%0.93778%0.784SS**  trans-81.7125.2172.7-71.9170000110.3L268L268-L270 PolarHBondContact O-N 2.93Å
271S30Very low30.4Very low100 Ų100128.6 Ų128.670%0.69979%0.785SS**  trans-139.7121.7169.659.90000111.2
272D27.7Very low30.5Very low150 Ų150127.1 Ų127.180%0.80278%0.783SS**  trans54.9123.8159.6-52.6-36.5000120.3
273I30.6Very low31.4Very low161 Ų161131.6 Ų131.683%0.82679%0.79SS**  179.2142.2106.7-91.3160.3000111.6
274S29.9Very low31.7Very low90 Ų90130 Ų13063%0.62979%0.79SS**  trans5694.9164.1-144.70000119.1N276S274-N276 PolarHBondContact OG-OD1 3.45Å
275S30.4Very low32.4Very low126 Ų126126.5 Ų126.588%0.88178%0.781SS**  trans-104131142.9-77.40000108.6
276N32.3Very low32.8Very low127 Ų127127.3 Ų127.368%0.67978%0.784SS**  trans-90141.9-160.1-56.3-15.9000112.2S274 T278S274-N276 PolarHBondContact OG-OD1 3.45Å; N276-T278 PolarHBondContact O-N 2.82Å; N276-T278 VanDerWaalsContact O-N 3.17Å
277N31.6Very low33.6Very low162 Ų162127.1 Ų127.187%0.86678%0.78SS**  trans-60.2115.9175.1-74.2-15.1000111.6
278T29.1Very low35.2Very low134 Ų134126.5 Ų126.582%0.82278%0.777SS**  trans-98.1117161.3-59.70000108.6N276 S280N276-T278 PolarHBondContact O-N 2.82Å; N276-T278 VanDerWaalsContact O-N 3.17Å; T278-S280 PolarHBondContact O-N 2.79Å
279T34.4Very low36.3Very low136 Ų136125.6 Ų125.683%0.83477%0.768SS**  trans-80.9112.7-178.151.10000111.9
280S30.9Very low38.2Very low114 Ų114124.1 Ų124.180%0.79776%0.762SS**  trans-124.7102.2160.458.10000109T278T278-S280 PolarHBondContact O-N 2.79Å
281S37.6Very low39.8Very low127 Ų127121.2 Ų121.289%0.88874%0.743SS**  trans-90.2114177.3177.50000109.8
282D31.5Very low41.5Very low149 Ų149120.4 Ų120.480%0.79773%0.73SS**  trans-143.4161.8157.7-151.4-12.9000110.2G284D282-G284 PolarHBondContact O-N 3.46Å
283N45.5Very low43.2Very low164 Ų164118.7 Ų118.788%0.87772%0.718SS**SBendtrans-75.6111.1-164-77.6-57000113.4
284G36.5Very low44.9Very low71 Ų71116.9 Ų116.973%0.73271%0.706SS**  trans-166.461.4175.200000112.9D282D282-G284 PolarHBondContact O-N 3.46Å
285G42.7Very low46.5Very low64 Ų64118.1 Ų118.166%0.6670%0.703SS**  trans-63.1139.9177.400000112V287G285-V287 PolarHBondContact O-N 2.96Å; G285-V287 VanDerWaalsContact O-N 3.14Å
286P42.1Very low47.8Very low129 Ų129116.7 Ų116.784%0.83868%0.683SS**  trans-65.8115.6-179.426.7-33.8000110.4N288P286-N288 PolarHBondContact O-N 2.9Å; P286-N288 VanDerWaalsContact O-N 3.14Å
287V50.8Low49.1Very low114 Ų114113 Ų11369%0.69167%0.668SS**  trans-62.3116.3175.3-179.90000108.3G285 H289G285-V287 PolarHBondContact O-N 2.96Å; G285-V287 VanDerWaalsContact O-N 3.14Å; V287-H289 PolarHBondContact O-N 3.46Å
288N59.4Low50.4Low112 Ų112112.4 Ų112.460%0.59966%0.66SS**  trans-70.7133.1-170.9-165.1-7.6000110.4P286 A290 Q291 L292P286-N288 PolarHBondContact O-N 2.9Å; P286-N288 VanDerWaalsContact O-N 3.14Å; N288-A290 VanDerWaalsContact C-N 3.26Å; N288-A290 PolarHBondContact O-N 2.74Å; N288-A290 VanDerWaalsContact O-N 3.16Å; N288-Q291 WeakPolarHBondContact O-CB 3.48Å; N288-Q291 PolarHBondContact O-N 3.03Å; N288-L292 PolarHBondContact O-N 2.94Å
289H53.8Low51.8Low137 Ų137111.1 Ų111.163%0.63464%0.643SS**Hα-helixtrans-56.5-39.6-168.8-164.4-74.3000112.8V287 Q291 L292 E293V287-H289 PolarHBondContact O-N 3.46Å; H289-Q291 VanDerWaalsContact C-N 3.25Å; H289-Q291 PolarHBondContact O-N 2.99Å; H289-L292 PolarHBondContact O-N 3.38Å; H289-E293 IonicContact ND1-OE2 3.84Å; H289-E293 WeakPolarHBondContact O-CB 3.41Å; H289-E293 PolarHBondContact O-N 2.9Å
290A67.9Low52.9Low61 Ų61111.4 Ų111.450%0.50464%0.638SS.*Hα-helixtrans-62-29.5176.700000113.5N288 E294N288-A290 VanDerWaalsContact C-N 3.26Å; N288-A290 PolarHBondContact O-N 2.74Å; N288-A290 VanDerWaalsContact O-N 3.16Å; A290-E294 WeakPolarHBondContact O-CB 3.49Å; A290-E294 PolarHBondContact O-N 3.16Å
291Q60.3Low53.9Low118 Ų118111.6 Ų111.655%0.55164%0.635SS**Hα-helixtrans-79.4-32.8-178.8-156.2170.230.700111.6N288 H289 M295N288-Q291 WeakPolarHBondContact O-CB 3.48Å; N288-Q291 PolarHBondContact O-N 3.03Å; H289-Q291 VanDerWaalsContact C-N 3.25Å; H289-Q291 PolarHBondContact O-N 2.99Å; Q291-M295 PolarHBondContact O-N 3.12Å; Q291-M295 VanDerWaalsContact O-N 3.12Å
292L67Low54.7Low82 Ų82109 Ų10943%0.42963%0.628SS.*Hα-helixtrans-68-41.8168.7-176.266.5000111N288 H289 M295 M296N288-L292 PolarHBondContact O-N 2.94Å; H289-L292 PolarHBondContact O-N 3.38Å; L292-M295 PolarHBondContact O-N 2.77Å; L292-M296 HydrophobicContact CG-CE 4.14Å; L292-M296 WeakPolarHBondContact O-CG 3.32Å; L292-M296 PolarHBondContact O-N 3.15Å
293E63.3Low55.5Low114 Ų114108.9 Ų108.953%0.53362%0.616SS.*Hα-helixtrans-63.1-42.9176.2-168.7169.6-178.700112.1H289 M296 S297H289-E293 IonicContact ND1-OE2 3.84Å; H289-E293 WeakPolarHBondContact O-CB 3.41Å; H289-E293 PolarHBondContact O-N 2.9Å; E293-M296 PolarHBondContact O-N 3.35Å; E293-S297 WeakPolarHBondContact O-CB 3.27Å; E293-S297 PolarHBondContact O-N 2.92Å
294E65.3Low55.5Low123 Ų123105.6 Ų105.658%0.57561%0.607SS**Hα-helixtrans-59.9-47.3172.7-174.1171.9-145.900111.8A290 M296 S297 H298A290-E294 WeakPolarHBondContact O-CB 3.49Å; A290-E294 PolarHBondContact O-N 3.16Å; E294-M296 PolarHBondContact O-N 2.82Å; E294-S297 PolarHBondContact O-N 3.02Å; E294-S297 PolarHBondContact O-OG 3.38Å; E294-H298 PolarHBondContact O-N 3.23Å
295M64.4Low55.9Low116 Ų116110.5 Ų110.557%0.57161%0.61SS**Hα-helixtrans-57.9-47173.4-81.418057.100112.7Q291 L292 S297 H298 F299Q291-M295 PolarHBondContact O-N 3.12Å; Q291-M295 VanDerWaalsContact O-N 3.12Å; L292-M295 PolarHBondContact O-N 2.77Å; M295-S297 VanDerWaalsContact C-N 3.32Å; M295-S297 PolarHBondContact O-N 2.98Å; M295-H298 PolarHBondContact O-N 2.9Å; M295-F299 WeakPolarHBondContact O-CD2 3.49Å; M295-F299 PolarHBondContact O-N 2.85Å
296M58Low56.3Low96 Ų96111.7 Ų111.747%0.47362%0.622SS.*Hα-helixtrans-64.4-37.1178.3-70.5-173.3-60.800112L292 E293 E294 H298 F299 L300L292-M296 HydrophobicContact CG-CE 4.14Å; L292-M296 WeakPolarHBondContact O-CG 3.32Å; L292-M296 PolarHBondContact O-N 3.15Å; E293-M296 PolarHBondContact O-N 3.35Å; E294-M296 PolarHBondContact O-N 2.82Å; M296-H298 VanDerWaalsContact C-N 3.27Å; M296-H298 PolarHBondContact O-N 3.37Å; M296-F299 PolarHBondContact O-N 3.28Å; M296-L300 WeakPolarHBondContact O-CG 3.14Å; M296-L300 PolarHBondContact O-N 3.33Å
297S59.8Low56.4Low50 Ų50113.1 Ų113.135%0.3562%0.618SS.*Hα-helixtrans-61-36.2176.782.90000112.3E293 E294 M295 L300 T301E293-S297 WeakPolarHBondContact O-CB 3.27Å; E293-S297 PolarHBondContact O-N 2.92Å; E294-S297 PolarHBondContact O-N 3.02Å; E294-S297 PolarHBondContact O-OG 3.38Å; M295-S297 VanDerWaalsContact C-N 3.32Å; M295-S297 PolarHBondContact O-N 2.98Å; S297-L300 PolarHBondContact O-N 2.78Å; S297-T301 VanDerWaalsContact O-CB 3.31Å; S297-T301 WeakPolarHBondContact O-CB 3.35Å; S297-T301 PolarHBondContact O-N 2.97Å; S297-T301 PolarHBondContact O-OG1 3Å
298H59.2Low56.4Low150 Ų150111.3 Ų111.369%0.69462%0.615SS**Hα-helixtrans-66.5-35.3177.2-103.9-90.9000113E294 M295 M296E294-H298 PolarHBondContact O-N 3.23Å; M295-H298 PolarHBondContact O-N 2.9Å; M296-H298 VanDerWaalsContact C-N 3.27Å; M296-H298 PolarHBondContact O-N 3.37Å
299F57Low55.9Low107 Ų107112.4 Ų112.447%0.46962%0.62SS.*Hα-helixtrans-72.1-29.8174.4-78.6-78000113.4M295 M296 L313 M316M295-F299 WeakPolarHBondContact O-CD2 3.49Å; M295-F299 PolarHBondContact O-N 2.85Å; M296-F299 PolarHBondContact O-N 3.28Å; F299-L313 HydrophobicContact CD1-CD1 4.48Å; F299-L313 HydrophobicContact CE1-CD1 4.47Å; F299-M316 HydrophobicContact CE1-CE 4.01Å; F299-M316 HydrophobicContact CE2-CE 3.72Å; F299-M316 HydrophobicContact CZ-CE 3.33Å
300L58Low56Low142 Ų142108.1 Ų108.174%0.74361%0.605SS**Hα-helixtrans-88.4-34.7-176.6-66.5172.6000113.5M296 S297 G302M296-L300 WeakPolarHBondContact O-CG 3.14Å; M296-L300 PolarHBondContact O-N 3.33Å; S297-L300 PolarHBondContact O-N 2.78Å; L300-G302 VanDerWaalsContact C-N 3.34Å; L300-G302 PolarHBondContact O-N 3.11Å
301T52.2Low55.6Low117 Ų117110.5 Ų110.572%0.71862%0.615SS**Hα-helixtrans-74.9-22.9-173.8-53.70000113S297 R303S297-T301 VanDerWaalsContact O-CB 3.31Å; S297-T301 WeakPolarHBondContact O-CB 3.35Å; S297-T301 PolarHBondContact O-N 2.97Å; S297-T301 PolarHBondContact O-OG1 3Å; T301-R303 VanDerWaalsContact C-N 3.27Å; T301-R303 PolarHBondContact O-N 2.86Å
302G53.3Low55.5Low73 Ų73112.2 Ų112.275%0.75362%0.623SS**SBendtrans-78.632-174.300000116.8L300L300-G302 VanDerWaalsContact C-N 3.34Å; L300-G302 PolarHBondContact O-N 3.11Å
303R48.6Very low55.5Low146 Ų146110.8 Ų110.855%0.55162%0.616SS**  trans-151.299.5-171.5-161.4172.8179.8106.6-7116.1T301 Q307 A308T301-R303 VanDerWaalsContact C-N 3.27Å; T301-R303 PolarHBondContact O-N 2.86Å; R303-Q307 PolarHBondContact NH1-O 3.03Å; R303-Q307 VanDerWaalsContact NH2-C 3.27Å; R303-Q307 PolarHBondContact NH2-O 2.98Å; R303-A308 PolarHBondContact NH1-O 3.25Å; R303-A308 PolarHBondContact NH2-O 2.95Å
304S46.3Very low55.7Low96 Ų96109.9 Ų109.967%0.67161%0.614SS**  trans-110151.7148.571.30000109.1
305H44.3Very low56.1Low174 Ų174107.5 Ų107.581%0.80661%0.609SS**SBendtrans66.482.6173.8-50.989.4000117.5Q307H305-Q307 PolarHBondContact O-N 3.32Å; H305-Q307 VanDerWaalsContact O-N 3.13Å
306G50.5Low56.6Low88 Ų88105.5 Ų105.591%0.90760%0.599SS**  775.2123.200000122
307Q45.3Very low57.5Low160 Ų160105.3 Ų105.375%0.74860%0.6SS**  trans-130.6116.8-171.9-165.5166.314.400114.4R303 H305R303-Q307 PolarHBondContact NH1-O 3.03Å; R303-Q307 VanDerWaalsContact NH2-C 3.27Å; R303-Q307 PolarHBondContact NH2-O 2.98Å; H305-Q307 PolarHBondContact O-N 3.32Å; H305-Q307 VanDerWaalsContact O-N 3.13Å
308A50.3Low58.3Low76 Ų76109.3 Ų109.363%0.62861%0.613SS**  trans32.8149.7163.800000121.2R303R303-A308 PolarHBondContact NH1-O 3.25Å; R303-A308 PolarHBondContact NH2-O 2.95Å
309L48.6Very low59.5Low134 Ų134105.1 Ų105.170%0.70260%0.601SS**  trans-60.6141168.5-66.5172.6000109.8
310S56.2Low60.7Low47 Ų47103.3 Ų103.333%0.32960%0.598SS.*  trans-66134.8178.546.90000110.3E312 L313S310-E312 PolarHBondContact O-N 3.06Å; S310-L313 PolarHBondContact O-N 2.69Å
311P60.1Low61.7Low111 Ų111100.7 Ų100.772%0.72159%0.591SS**THydrogen-bonded Turntrans-67-13.3-170.926.1-34.8000114.1P315P311-P315 WeakPolarHBondContact O-CD 3.39Å; P311-P315 WeakPolarHBondContact O-CG 3.49Å
312E58.8Low63.2Low154 Ų15496.8 Ų96.872%0.7257%0.574SS**THydrogen-bonded Turntrans-90.8-21.1-178.2-62.3170.9148.800113.2S310 P315 M316S310-E312 PolarHBondContact O-N 3.06Å; E312-P315 WeakPolarHBondContact O-CD 3.48Å; E312-M316 PolarHBondContact O-N 3.07Å
313L65.9Low64.5Low52 Ų5298.7 Ų98.727%0.27256%0.564SS.*Hα-helixtrans-73.1-34-179-175.362.7000112.3F299 S310 M316 L317F299-L313 HydrophobicContact CD1-CD1 4.48Å; F299-L313 HydrophobicContact CE1-CD1 4.47Å; S310-L313 PolarHBondContact O-N 2.69Å; L313-M316 HydrophobicContact CD1-CE 3.89Å; L313-M316 HydrophobicContact CD1-SD 4.29Å; L313-M316 PolarHBondContact O-N 2.66Å; L313-L317 HydrophobicContact CD1-CD1 4.42Å; L313-L317 HydrophobicContact CD1-CG 4.42Å; L313-L317 HydrophobicContact CG-CD1 4.04Å; L313-L317 HydrophobicContact CG-CG 4.48Å; L313-L317 WeakPolarHBondContact O-CB 3.3Å; L313-L317 WeakPolarHBondContact O-CG 3.28Å; L313-L317 PolarHBondContact O-N 3.15Å
314L68.1Low66Low96 Ų9694.9 Ų94.950%0.50356%0.556SS.*Hα-helixtrans-65.3-50.2177-98.3166.8000112.6M316 L317 Q318L314-M316 VanDerWaalsContact C-N 3.3Å; L314-M316 PolarHBondContact O-N 2.82Å; L314-L317 PolarHBondContact O-N 2.82Å; L314-Q318 WeakPolarHBondContact O-CB 3.14Å; L314-Q318 WeakPolarHBondContact O-CG 3.44Å; L314-Q318 PolarHBondContact O-N 3.3Å
315P73.9Confident67.5Low72 Ų7292.8 Ų92.847%0.46854%0.544SS..Hα-helixtrans-56.7-39.5171.4-28.135.5000113.6P311 E312 Q318 S319P311-P315 WeakPolarHBondContact O-CD 3.39Å; P311-P315 WeakPolarHBondContact O-CG 3.49Å; E312-P315 WeakPolarHBondContact O-CD 3.48Å; P315-Q318 PolarHBondContact O-N 3.36Å; P315-S319 WeakPolarHBondContact O-CB 3.47Å; P315-S319 PolarHBondContact O-N 2.8Å
316M75.1Confident69.1Low74 Ų7490.1 Ų90.137%0.36553%0.533SS..Hα-helixtrans-63.1-49.5176.4-172-140-64.300111.6F299 E312 L313 L314 Q318 S319 V320F299-M316 HydrophobicContact CE1-CE 4.01Å; F299-M316 HydrophobicContact CE2-CE 3.72Å; F299-M316 HydrophobicContact CZ-CE 3.33Å; E312-M316 PolarHBondContact O-N 3.07Å; L313-M316 HydrophobicContact CD1-CE 3.89Å; L313-M316 HydrophobicContact CD1-SD 4.29Å; L313-M316 PolarHBondContact O-N 2.66Å; L314-M316 VanDerWaalsContact C-N 3.3Å; L314-M316 PolarHBondContact O-N 2.82Å; M316-Q318 VanDerWaalsContact C-N 3.34Å; M316-Q318 PolarHBondContact O-N 3.45Å; M316-S319 WeakPolarHBondContact O-CB 3.47Å; M316-S319 PolarHBondContact O-N 3.12Å; M316-V320 WeakPolarHBondContact O-CG2 3.49Å; M316-V320 PolarHBondContact O-N 2.86Å
317L76.3Confident70.3Confident92 Ų9291.5 Ų91.548%0.48252%0.518SS..Hα-helixtrans-62.9-39.6178.1-73.1168.9000112L313 L314 V320 C321L313-L317 HydrophobicContact CD1-CD1 4.42Å; L313-L317 HydrophobicContact CD1-CG 4.42Å; L313-L317 HydrophobicContact CG-CD1 4.04Å; L313-L317 HydrophobicContact CG-CG 4.48Å; L313-L317 WeakPolarHBondContact O-CB 3.3Å; L313-L317 WeakPolarHBondContact O-CG 3.28Å; L313-L317 PolarHBondContact O-N 3.15Å; L314-L317 PolarHBondContact O-N 2.82Å; L317-V320 PolarHBondContact O-N 2.89Å; L317-C321 VanDerWaalsContact O-CB 3.32Å; L317-C321 WeakPolarHBondContact O-CB 3.39Å; L317-C321 PolarHBondContact O-N 2.58Å; L317-C321 PolarHBondContact O-SG 2.78Å
318Q76.7Confident71.7Confident134 Ų13492.5 Ų92.563%0.62652%0.515SS*.Hα-helixtrans-63.8-40174.1-74.1176.1-17.400112.1L314 P315 M316 G322L314-Q318 WeakPolarHBondContact O-CB 3.14Å; L314-Q318 WeakPolarHBondContact O-CG 3.44Å; L314-Q318 PolarHBondContact O-N 3.3Å; P315-Q318 PolarHBondContact O-N 3.36Å; M316-Q318 VanDerWaalsContact C-N 3.34Å; M316-Q318 PolarHBondContact O-N 3.45Å; Q318-G322 PolarHBondContact O-N 2.77Å
319S83.6Confident72.9Confident62 Ų6294.1 Ų94.143%0.43451%0.513SS..Hα-helixtrans-62.1-49.4174.7-172.60000111.9P315 M316 G322 Q323P315-S319 WeakPolarHBondContact O-CB 3.47Å; P315-S319 PolarHBondContact O-N 2.8Å; M316-S319 WeakPolarHBondContact O-CB 3.47Å; M316-S319 PolarHBondContact O-N 3.12Å; S319-G322 PolarHBondContact O-N 3.24Å; S319-Q323 WeakPolarHBondContact O-CG 3.48Å; S319-Q323 PolarHBondContact O-N 2.75Å
320V81.6Confident74Confident69 Ų6991.5 Ų91.542%0.41850%0.5SS..Hα-helixtrans-64.2-43.1178.9174.40000111.5M316 L317 G322 Q323 V324M316-V320 WeakPolarHBondContact O-CG2 3.49Å; M316-V320 PolarHBondContact O-N 2.86Å; L317-V320 PolarHBondContact O-N 2.89Å; V320-G322 VanDerWaalsContact C-N 3.31Å; V320-G322 PolarHBondContact O-N 2.98Å; V320-Q323 PolarHBondContact O-N 3.01Å; V320-V324 HydrophobicContact CG1-CG2 4.5Å; V320-V324 WeakPolarHBondContact O-CG2 3.48Å; V320-V324 PolarHBondContact O-N 2.99Å
321C79.3Confident74.6Confident87 Ų8794.7 Ų94.759%0.58851%0.513SS*.Hα-helixtrans-62.3-38174.3-73.20000112.3L317 A325L317-C321 VanDerWaalsContact O-CB 3.32Å; L317-C321 WeakPolarHBondContact O-CB 3.39Å; L317-C321 PolarHBondContact O-N 2.58Å; L317-C321 PolarHBondContact O-SG 2.78Å; C321-A325 WeakPolarHBondContact O-CB 3.26Å; C321-A325 PolarHBondContact O-N 2.89Å
322G83.6Confident75Confident36 Ų3693.4 Ų93.437%0.37150%0.503SS..Hα-helixtrans-64-47.2173.600000112.5Q318 S319 V320 V324 A325 Q326Q318-G322 PolarHBondContact O-N 2.77Å; S319-G322 PolarHBondContact O-N 3.24Å; V320-G322 VanDerWaalsContact C-N 3.31Å; V320-G322 PolarHBondContact O-N 2.98Å; G322-V324 PolarHBondContact O-N 2.91Å; G322-A325 PolarHBondContact O-N 3.48Å; G322-Q326 WeakPolarHBondContact O-CB 3.31Å; G322-Q326 PolarHBondContact O-N 2.96Å
323Q81.2Confident75.5Confident113 Ų11392.7 Ų92.753%0.52850%0.5SS..Hα-helixtrans-61.6-40.9176.8-72.5173-15.300112.3S319 V320 Q326 L327S319-Q323 WeakPolarHBondContact O-CG 3.48Å; S319-Q323 PolarHBondContact O-N 2.75Å; V320-Q323 PolarHBondContact O-N 3.01Å; Q323-Q326 PolarHBondContact O-N 3.34Å; Q323-L327 WeakPolarHBondContact O-CB 3.4Å; Q323-L327 WeakPolarHBondContact O-CG 3.34Å; Q323-L327 PolarHBondContact O-N 2.82Å
324V81Confident75.6Confident66 Ų6693.1 Ų93.140%0.451%0.511SS..Hα-helixtrans-69.2-34.7175.61720000112V320 G322 R328V320-V324 HydrophobicContact CG1-CG2 4.5Å; V320-V324 WeakPolarHBondContact O-CG2 3.48Å; V320-V324 PolarHBondContact O-N 2.99Å; G322-V324 PolarHBondContact O-N 2.91Å; V324-R328 VanDerWaalsContact O-CG 3.27Å; V324-R328 WeakPolarHBondContact O-CG 3.13Å; V324-R328 PolarHBondContact O-N 2.95Å
325A78Confident75.4Confident51 Ų5191 Ų9142%0.42151%0.507SS..Hα-helixtrans-67-42.1172.800000111.7C321 G322 R328 L329C321-A325 WeakPolarHBondContact O-CB 3.26Å; C321-A325 PolarHBondContact O-N 2.89Å; G322-A325 PolarHBondContact O-N 3.48Å; A325-R328 WeakPolarHBondContact O-CB 3.4Å; A325-R328 PolarHBondContact O-N 3.17Å; A325-L329 PolarHBondContact O-N 3.17Å
326Q77.7Confident75Confident119 Ų11992.6 Ų92.656%0.55651%0.511SS*.Hα-helixtrans-67.9-46.5178.9-168.7157.64.700111.8G322 Q323 R328 L329 D330G322-Q326 WeakPolarHBondContact O-CB 3.31Å; G322-Q326 PolarHBondContact O-N 2.96Å; Q323-Q326 PolarHBondContact O-N 3.34Å; Q326-R328 PolarHBondContact O-N 3.2Å; Q326-R328 VanDerWaalsContact O-N 3.13Å; Q326-L329 WeakPolarHBondContact O-CA 3.36Å; Q326-L329 WeakPolarHBondContact O-CB 3.35Å; Q326-L329 PolarHBondContact O-N 3.23Å; Q326-D330 PolarHBondContact O-N 3.15Å
327L75.8Confident74.4Confident116 Ų11694.3 Ų94.361%0.60752%0.518SS*.Hα-helixtrans-56.8-30.1173.1-77.6167000113.5Q323 N331Q323-L327 WeakPolarHBondContact O-CB 3.4Å; Q323-L327 WeakPolarHBondContact O-CG 3.34Å; Q323-L327 PolarHBondContact O-N 2.82Å; L327-N331 WeakPolarHBondContact O-CB 3.35Å; L327-N331 PolarHBondContact O-N 3.34Å; L327-N331 VanDerWaalsContact O-N 3.11Å
328R74.4Confident73.7Confident181 Ų18199.4 Ų99.468%0.68353%0.531SS*.Hα-helixtrans-71-41.2173.6-75.5170.2178.6-162.3-0.8112V324 A325 Q326 T332V324-R328 VanDerWaalsContact O-CG 3.27Å; V324-R328 WeakPolarHBondContact O-CG 3.13Å; V324-R328 PolarHBondContact O-N 2.95Å; A325-R328 WeakPolarHBondContact O-CB 3.4Å; A325-R328 PolarHBondContact O-N 3.17Å; Q326-R328 PolarHBondContact O-N 3.2Å; Q326-R328 VanDerWaalsContact O-N 3.13Å; R328-T332 PolarHBondContact O-N 2.69Å; R328-T332 VanDerWaalsContact O-N 3.1Å; R328-T332 PolarHBondContact O-OG1 3.45Å
329L73.9Confident72.8Confident111 Ų11197.8 Ų97.858%0.58152%0.524SS*.Hα-helixtrans-67.6-50.5176.6-67169.3000111.1A325 Q326 N331 T332 E333A325-L329 PolarHBondContact O-N 3.17Å; Q326-L329 WeakPolarHBondContact O-CA 3.36Å; Q326-L329 WeakPolarHBondContact O-CB 3.35Å; Q326-L329 PolarHBondContact O-N 3.23Å; L329-N331 VanDerWaalsContact C-N 3.26Å; L329-N331 PolarHBondContact O-N 3.16Å; L329-T332 WeakPolarHBondContact CA-OG1 3.48Å; L329-T332 WeakPolarHBondContact O-CA 3.43Å; L329-T332 PolarHBondContact O-N 3.06Å; L329-T332 PolarHBondContact O-OG1 2.66Å; L329-E333 PolarHBondContact O-N 3.06Å
330D72Confident71.6Confident79 Ų79100 Ų10042%0.42253%0.525SS..Hα-helixtrans-57.8-40178.6-57.9-15.3000111Q326 E333 A334Q326-D330 PolarHBondContact O-N 3.15Å; D330-E333 PolarHBondContact O-N 2.75Å; D330-A334 VanDerWaalsContact O-CB 3.28Å; D330-A334 WeakPolarHBondContact O-CB 3.42Å; D330-A334 PolarHBondContact O-N 2.97Å
331N69.8Low70.5Confident114 Ų114105 Ų10561%0.6154%0.542SS*.Hα-helixtrans-70.1-31.7175.4-174.979.5000113.1L327 L329 A335L327-N331 WeakPolarHBondContact O-CB 3.35Å; L327-N331 PolarHBondContact O-N 3.34Å; L327-N331 VanDerWaalsContact O-N 3.11Å; L329-N331 VanDerWaalsContact C-N 3.26Å; L329-N331 PolarHBondContact O-N 3.16Å; N331-A335 WeakPolarHBondContact O-CB 3.3Å; N331-A335 PolarHBondContact O-N 3.34Å
332T67.6Low69.4Low83 Ų83107.5 Ų107.551%0.50955%0.546SS..Hα-helixtrans-70.2-39.7171.847.10000112.6R328 L329 A335 L336R328-T332 PolarHBondContact O-N 2.69Å; R328-T332 VanDerWaalsContact O-N 3.1Å; R328-T332 PolarHBondContact O-OG1 3.45Å; L329-T332 WeakPolarHBondContact CA-OG1 3.48Å; L329-T332 WeakPolarHBondContact O-CA 3.43Å; L329-T332 PolarHBondContact O-N 3.06Å; L329-T332 PolarHBondContact O-OG1 2.66Å; T332-A335 PolarHBondContact O-N 3.17Å; T332-L336 PolarHBondContact O-N 3.48Å
333E70Confident68Low139 Ų139112.5 Ų112.565%0.6555%0.554SS**Hα-helixtrans-66.6-42.4174.7-66.9-167.5163.900111.7L329 D330 A335 L336 E337L329-E333 PolarHBondContact O-N 3.06Å; D330-E333 PolarHBondContact O-N 2.75Å; E333-A335 VanDerWaalsContact C-N 3.3Å; E333-A335 PolarHBondContact O-N 3.34Å; E333-L336 PolarHBondContact O-N 3.39Å; E333-L336 VanDerWaalsContact O-N 3.17Å; E333-E337 PolarHBondContact O-N 3.43Å
334A68.8Low66.7Low61 Ų61112.2 Ų112.250%0.50456%0.556SS.*Hα-helixtrans-63.8-33.2175.700000113D330 R338D330-A334 VanDerWaalsContact O-CB 3.28Å; D330-A334 WeakPolarHBondContact O-CB 3.42Å; D330-A334 PolarHBondContact O-N 2.97Å; A334-R338 VanDerWaalsContact O-CB 3.29Å; A334-R338 WeakPolarHBondContact O-CB 3.42Å; A334-R338 PolarHBondContact O-N 3.37Å
335A63Low65.4Low52 Ų52111.5 Ų111.543%0.4356%0.562SS.*Hα-helixtrans-67.5-44171.500000111.6N331 T332 E333 R338 E339N331-A335 WeakPolarHBondContact O-CB 3.3Å; N331-A335 PolarHBondContact O-N 3.34Å; T332-A335 PolarHBondContact O-N 3.17Å; E333-A335 VanDerWaalsContact C-N 3.3Å; E333-A335 PolarHBondContact O-N 3.34Å; A335-R338 WeakPolarHBondContact O-CB 3.18Å; A335-R338 PolarHBondContact O-N 3.09Å; A335-E339 PolarHBondContact O-N 3.35Å
336L65.4Low64.1Low106 Ų106113.3 Ų113.356%0.55557%0.568SS**Hα-helixtrans-62.8-46.3-178.9-128.8168.2000112.4T332 E333 R338 E339 K340T332-L336 PolarHBondContact O-N 3.48Å; E333-L336 PolarHBondContact O-N 3.39Å; E333-L336 VanDerWaalsContact O-N 3.17Å; L336-R338 VanDerWaalsContact C-N 3.29Å; L336-R338 PolarHBondContact O-N 3.38Å; L336-E339 PolarHBondContact O-N 3.06Å; L336-K340 VanDerWaalsContact O-CB 3.24Å; L336-K340 WeakPolarHBondContact O-CB 3.39Å; L336-K340 PolarHBondContact O-N 2.76Å
337E63.3Low63Low109 Ų109111.5 Ų111.551%0.50957%0.567SS.*Hα-helixtrans-68.5-27.7175.1-73.9-61.4128.800112.5E333 K340 K341E333-E337 PolarHBondContact O-N 3.43Å; E337-K340 WeakPolarHBondContact OE1-CD 3.48Å; E337-K340 IonicContact OE1-NZ 2.6Å; E337-K340 PolarHBondContact OE1-NZ 3.46Å; E337-K340 IonicContact OE2-NZ 2.94Å; E337-K340 PolarHBondContact OE2-NZ 3.38Å; E337-K341 VanDerWaalsContact O-CB 3.29Å; E337-K341 WeakPolarHBondContact O-CB 3.49Å; E337-K341 PolarHBondContact O-N 3.27Å; E337-K341 VanDerWaalsContact O-N 3.09Å
338R61Low62.1Low200 Ų200111.9 Ų111.976%0.75557%0.566SS**Hα-helixtrans-71.8-42.2173.5-172.1173.9-175.9151.10.3112A334 A335 L336 K341 M342A334-R338 VanDerWaalsContact O-CB 3.29Å; A334-R338 WeakPolarHBondContact O-CB 3.42Å; A334-R338 PolarHBondContact O-N 3.37Å; A335-R338 WeakPolarHBondContact O-CB 3.18Å; A335-R338 PolarHBondContact O-N 3.09Å; L336-R338 VanDerWaalsContact C-N 3.29Å; L336-R338 PolarHBondContact O-N 3.38Å; R338-K341 PolarHBondContact O-N 3.12Å; R338-M342 WeakPolarHBondContact O-CB 3.42Å; R338-M342 PolarHBondContact O-N 2.81Å
339E57.1Low61.7Low100 Ų100109.4 Ų109.447%0.46757%0.566SS.*Hα-helixtrans-60.1-53.7173.6-172.5-145.7130.700110.4A335 L336 K341 M342 R343A335-E339 PolarHBondContact O-N 3.35Å; L336-E339 PolarHBondContact O-N 3.06Å; E339-K341 VanDerWaalsContact C-N 3.28Å; E339-K341 PolarHBondContact O-N 3.45Å; E339-M342 CarbonylContact O-C 3.58Å; E339-M342 WeakPolarHBondContact O-CA 3.4Å; E339-M342 WeakPolarHBondContact O-CB 3.45Å; E339-M342 PolarHBondContact O-N 3.05Å; E339-R343 WeakPolarHBondContact O-CB 3.46Å; E339-R343 PolarHBondContact O-N 3.05Å; E339-R343 IonicContact OE1-NH1 2.89Å; E339-R343 PolarHBondContact OE1-NH1 3.25Å; E339-R343 VanDerWaalsContact OE1-NH1 3.12Å
340K59.3Low61.8Low108 Ų108108.5 Ų108.547%0.4756%0.562SS.*Hα-helixtrans-52.7-42.7177.6-177.7-175.9175.2-160.90112.6L336 E337 N344L336-K340 VanDerWaalsContact O-CB 3.24Å; L336-K340 WeakPolarHBondContact O-CB 3.39Å; L336-K340 PolarHBondContact O-N 2.76Å; E337-K340 WeakPolarHBondContact OE1-CD 3.48Å; E337-K340 IonicContact OE1-NZ 2.6Å; E337-K340 PolarHBondContact OE1-NZ 3.46Å; E337-K340 IonicContact OE2-NZ 2.94Å; E337-K340 PolarHBondContact OE2-NZ 3.38Å; K340-N344 PolarHBondContact O-N 3.4Å
341K57.3Low62Low175 Ų175107.4 Ų107.476%0.76156%0.56SS**Hα-helixtrans-69.9-31.5175.9-171.3169.6-176.6173.60113.4E337 R338 E339E337-K341 VanDerWaalsContact O-CB 3.29Å; E337-K341 WeakPolarHBondContact O-CB 3.49Å; E337-K341 PolarHBondContact O-N 3.27Å; E337-K341 VanDerWaalsContact O-N 3.09Å; R338-K341 PolarHBondContact O-N 3.12Å; E339-K341 VanDerWaalsContact C-N 3.28Å; E339-K341 PolarHBondContact O-N 3.45Å
342M56.3Low62.9Low139 Ų139106.4 Ų106.469%0.68556%0.558SS**Hα-helixtrans-77.5-39.9177.6-168.3159.2171.200111.7R338 E339 N344 G345 T346R338-M342 WeakPolarHBondContact O-CB 3.42Å; R338-M342 PolarHBondContact O-N 2.81Å; E339-M342 CarbonylContact O-C 3.58Å; E339-M342 WeakPolarHBondContact O-CA 3.4Å; E339-M342 WeakPolarHBondContact O-CB 3.45Å; E339-M342 PolarHBondContact O-N 3.05Å; M342-N344 VanDerWaalsContact C-N 3.32Å; M342-N344 PolarHBondContact O-N 3.17Å; M342-G345 PolarHBondContact O-N 3.24Å; M342-T346 PolarHBondContact O-N 2.94Å; M342-T346 PolarHBondContact O-OG1 3.17Å
343R54.3Low63.6Low140 Ų140107.4 Ų107.453%0.52856%0.558SS.*Hα-helixtrans-56.2-41.3177-165.8172.4-171.51420.1112.7E339 C347E339-R343 WeakPolarHBondContact O-CB 3.46Å; E339-R343 PolarHBondContact O-N 3.05Å; E339-R343 IonicContact OE1-NH1 2.89Å; E339-R343 PolarHBondContact OE1-NH1 3.25Å; E339-R343 VanDerWaalsContact OE1-NH1 3.12Å; R343-C347 PolarHBondContact O-N 3.04Å; R343-C347 PolarHBondContact O-SG 3.42Å; R343-C347 VanDerWaalsContact O-SG 3.4Å
344N54.8Low64.3Low108 Ų108105.6 Ų105.658%0.57855%0.55SS*.Hα-helixtrans-60.7-42.5174.1-105.683.7000113K340 M342K340-N344 PolarHBondContact O-N 3.4Å; M342-N344 VanDerWaalsContact C-N 3.32Å; M342-N344 PolarHBondContact O-N 3.17Å
345G52.9Low65.5Low51 Ų51111 Ų11153%0.52656%0.557SS.*Hα-helixtrans-71.9-29.3-176.900000114.3M342M342-G345 PolarHBondContact O-N 3.24Å
346T52.3Low67Low88 Ų88117.1 Ų117.154%0.5457%0.569SS.*Hα-helixtrans-76.6-43.3179.8-51.20000112.1M342 E348 L349M342-T346 PolarHBondContact O-N 2.94Å; M342-T346 PolarHBondContact O-OG1 3.17Å; T346-E348 VanDerWaalsContact C-N 3.34Å; T346-E348 PolarHBondContact O-N 3.24Å; T346-L349 PolarHBondContact O-N 2.86Å
347C54.3Low68.3Low81 Ų81116.4 Ų116.455%0.54757%0.565SS.*Hα-helixtrans-67.7-28.7-176.8-640000114R343 L349 S351R343-C347 PolarHBondContact O-N 3.04Å; R343-C347 PolarHBondContact O-SG 3.42Å; R343-C347 VanDerWaalsContact O-SG 3.4Å; C347-L349 VanDerWaalsContact C-N 3.34Å; C347-L349 PolarHBondContact O-N 2.97Å; C347-S351 PolarHBondContact O-N 3.38Å
348E55.6Low69.9Low124 Ų124116 Ų11658%0.57956%0.563SS**Hα-helixtrans-63.9-39.1178.2-75.9-178.4-168.200112T346 D350 S351 V352T346-E348 VanDerWaalsContact C-N 3.34Å; T346-E348 PolarHBondContact O-N 3.24Å; E348-D350 PolarHBondContact O-N 3.17Å; E348-S351 PolarHBondContact O-N 3.24Å; E348-S351 PolarHBondContact O-OG 2.96Å; E348-V352 WeakPolarHBondContact O-CG2 3.34Å; E348-V352 PolarHBondContact O-N 3.21Å
349L67.3Low71.6Confident129 Ų129110.9 Ų110.968%0.67555%0.548SS*.Hα-helixtrans-62.3-44.5-177.4-167.676.6000112.2T346 C347 V352 M353T346-L349 PolarHBondContact O-N 2.86Å; C347-L349 VanDerWaalsContact C-N 3.34Å; C347-L349 PolarHBondContact O-N 2.97Å; L349-V352 PolarHBondContact O-N 3.47Å; L349-M353 WeakPolarHBondContact O-CB 3.18Å; L349-M353 PolarHBondContact O-N 2.7Å
350D75.1Confident73.4Confident92 Ų92111 Ų11149%0.49255%0.55SS.*Hα-helixtrans-62.8-44176.9-80.3-24.4000111.1E348 V352 M353 E354E348-D350 PolarHBondContact O-N 3.17Å; D350-V352 VanDerWaalsContact C-N 3.3Å; D350-V352 PolarHBondContact O-N 3.09Å; D350-M353 PolarHBondContact O-N 3.25Å; D350-M353 VanDerWaalsContact O-N 3.17Å; D350-M353 WeakPolarHBondContact OD1-CE 3.32Å; D350-E354 WeakPolarHBondContact O-CB 3.09Å; D350-E354 PolarHBondContact O-N 3.43Å
351S76.8Confident75Confident57 Ų57112.5 Ų112.540%0.39956%0.558SS.*Hα-helixtrans-64-31.8178.678.30000113.7C347 E348 R355C347-S351 PolarHBondContact O-N 3.38Å; E348-S351 PolarHBondContact O-N 3.24Å; E348-S351 PolarHBondContact O-OG 2.96Å; S351-R355 WeakPolarHBondContact O-CB 3.44Å; S351-R355 PolarHBondContact O-N 2.97Å
352V88.5Confident76.9Confident92 Ų92111.4 Ų111.456%0.55855%0.55SS*.Hα-helixtrans-75.3-38.11751700000110.8E348 L349 D350 R356E348-V352 WeakPolarHBondContact O-CG2 3.34Å; E348-V352 PolarHBondContact O-N 3.21Å; L349-V352 PolarHBondContact O-N 3.47Å; D350-V352 VanDerWaalsContact C-N 3.3Å; D350-V352 PolarHBondContact O-N 3.09Å; V352-R356 WeakPolarHBondContact O-CB 3.22Å; V352-R356 PolarHBondContact O-N 3.1Å; V352-R356 VanDerWaalsContact O-N 3.15Å
353M83.4Confident78.9Confident104 Ų104112.1 Ų112.151%0.51255%0.545SS..Hα-helixtrans-66.1-43.3174.5178.4167.755.300111.8L349 D350 R356 L357L349-M353 WeakPolarHBondContact O-CB 3.18Å; L349-M353 PolarHBondContact O-N 2.7Å; D350-M353 PolarHBondContact O-N 3.25Å; D350-M353 VanDerWaalsContact O-N 3.17Å; D350-M353 WeakPolarHBondContact OD1-CE 3.32Å; M353-R356 PolarHBondContact O-N 3.13Å; M353-L357 HydrophobicContact CG-CD1 4.37Å; M353-L357 WeakPolarHBondContact O-CG 3.43Å; M353-L357 PolarHBondContact O-N 3.28Å
354E84.6Confident81Confident101 Ų101110.3 Ų110.347%0.47255%0.545SS..Hα-helixtrans-61.1-52.7178.3-165.5152-111.300111R89 D350 R356 L357 E358R89-E354 IonicContact NH2-OE1 2.86Å; D350-E354 WeakPolarHBondContact O-CB 3.09Å; D350-E354 PolarHBondContact O-N 3.43Å; E354-R356 PolarHBondContact O-N 3.11Å; E354-L357 WeakPolarHBondContact O-CA 3.41Å; E354-L357 WeakPolarHBondContact O-CB 3.44Å; E354-L357 PolarHBondContact O-N 2.94Å; E354-E358 WeakPolarHBondContact O-CG 3.27Å; E354-E358 PolarHBondContact O-N 3.4Å
355R93.2Very high83Confident175 Ų175111.4 Ų111.466%0.6655%0.545SS*.Hα-helixtrans-55.3-36.1173.5-171.2-175.4-58.6-176.23.6113.4S351 E359S351-R355 WeakPolarHBondContact O-CB 3.44Å; S351-R355 PolarHBondContact O-N 2.97Å; R355-E359 PolarHBondContact O-N 3.38Å
356R94.1Very high85.1Confident180 Ų180112.4 Ų112.468%0.67954%0.535SS*.Hα-helixtrans-73.1-28.3178.4-175.5172.9179.1-103.2-0.5112.6V352 M353 E354 M360V352-R356 WeakPolarHBondContact O-CB 3.22Å; V352-R356 PolarHBondContact O-N 3.1Å; V352-R356 VanDerWaalsContact O-N 3.15Å; M353-R356 PolarHBondContact O-N 3.13Å; E354-R356 PolarHBondContact O-N 3.11Å; R356-M360 WeakPolarHBondContact O-CB 3.24Å; R356-M360 PolarHBondContact O-N 3.02Å
357L93.6Very high87.3Confident91 Ų91112.9 Ų112.948%0.47653%0.531SS..Hα-helixtrans-74.3-46171.4-70.8171000111M353 E354 E359 M360 E361M353-L357 HydrophobicContact CG-CD1 4.37Å; M353-L357 WeakPolarHBondContact O-CG 3.43Å; M353-L357 PolarHBondContact O-N 3.28Å; E354-L357 WeakPolarHBondContact O-CA 3.41Å; E354-L357 WeakPolarHBondContact O-CB 3.44Å; E354-L357 PolarHBondContact O-N 2.94Å; L357-E359 VanDerWaalsContact C-N 3.29Å; L357-E359 PolarHBondContact O-N 3.46Å; L357-M360 HydrophobicContact CD2-CE 4.27Å; L357-M360 WeakPolarHBondContact O-CA 3.15Å; L357-M360 WeakPolarHBondContact O-CB 3.35Å; L357-M360 PolarHBondContact O-N 2.96Å; L357-E361 PolarHBondContact O-N 3.36Å
358E95.9Very high89.3Confident100 Ų100114.6 Ų114.647%0.46753%0.533SS..Hα-helixtrans-55.3-42174-67173.5172.500112.5E354 R362E354-E358 WeakPolarHBondContact O-CG 3.27Å; E354-E358 PolarHBondContact O-N 3.4Å; E358-R362 VanDerWaalsContact O-CB 3.3Å; E358-R362 WeakPolarHBondContact O-CB 3.48Å; E358-R362 PolarHBondContact O-N 3.02Å
359E96.9Very high91.3Very high93 Ų93112.3 Ų112.344%0.43552%0.524SS..Hα-helixtrans-69.9-34.7176.8-167.6-179.9-175.200112R355 L357 R363R355-E359 PolarHBondContact O-N 3.38Å; L357-E359 VanDerWaalsContact C-N 3.29Å; L357-E359 PolarHBondContact O-N 3.46Å; E359-R363 WeakPolarHBondContact O-CB 3.36Å; E359-R363 WeakPolarHBondContact O-CD 3.46Å; E359-R363 WeakPolarHBondContact O-CG 3.35Å; E359-R363 PolarHBondContact O-N 2.89Å; E359-R363 IonicContact OE1-CZ 3.46Å; E359-R363 VanDerWaalsContact OE1-CZ 3.29Å; E359-R363 IonicContact OE1-NE 3.29Å; E359-R363 PolarHBondContact OE1-NE 2.87Å; E359-R363 VanDerWaalsContact OE1-NE 3.15Å; E359-R363 IonicContact OE1-NH2 2.96Å; E359-R363 PolarHBondContact OE1-NH2 3.16Å; E359-R363 IonicContact OE2-NH2 3.12Å
360M95.8Very high92.7Very high104 Ų104113.2 Ų113.251%0.51252%0.519SS..Hα-helixtrans-66.2-45175-167.5-172.2-47.600111.5R356 L357 R363 L364R356-M360 WeakPolarHBondContact O-CB 3.24Å; R356-M360 PolarHBondContact O-N 3.02Å; L357-M360 HydrophobicContact CD2-CE 4.27Å; L357-M360 WeakPolarHBondContact O-CA 3.15Å; L357-M360 WeakPolarHBondContact O-CB 3.35Å; L357-M360 PolarHBondContact O-N 2.96Å; M360-R363 PolarHBondContact O-N 2.99Å; M360-L364 WeakPolarHBondContact O-CB 3.49Å; M360-L364 PolarHBondContact O-N 3.31Å
361E93.3Very high93.8Very high138 Ų138116 Ų11665%0.64552%0.523SS*.Hα-helixtrans-60.7-49.2176.2-172.7-170.7148.100111.2L357 R363 L364 K365L357-E361 PolarHBondContact O-N 3.36Å; E361-R363 VanDerWaalsContact C-N 3.34Å; E361-R363 PolarHBondContact O-N 3.3Å; E361-L364 WeakPolarHBondContact O-CB 3.33Å; E361-L364 PolarHBondContact O-N 2.94Å; E361-L364 VanDerWaalsContact O-N 3.13Å; E361-K365 WeakPolarHBondContact O-CB 3.47Å; E361-K365 PolarHBondContact O-N 3.14Å
362R97.3Very high94.8Very high153 Ų153118.8 Ų118.858%0.57753%0.533SS*.Hα-helixtrans-55.1-47.7175.9-173.8-169.3-49.6-110.8-4.7112.1E358 L364 K365 E366E358-R362 VanDerWaalsContact O-CB 3.3Å; E358-R362 WeakPolarHBondContact O-CB 3.48Å; E358-R362 PolarHBondContact O-N 3.02Å; R362-L364 VanDerWaalsContact C-N 3.34Å; R362-L364 PolarHBondContact O-N 3.5Å; R362-K365 PolarHBondContact O-N 3.28Å; R362-E366 WeakPolarHBondContact O-CB 3.43Å; R362-E366 WeakPolarHBondContact O-CG 3.39Å; R362-E366 PolarHBondContact O-N 3.29Å
363R97.4Very high95.2Very high153 Ų153118 Ų11858%0.57753%0.525SS*.Hα-helixtrans-66.2-34.7178.3-71.4168.8179.3-150.37.4112.4E359 M360 E361 H367E359-R363 WeakPolarHBondContact O-CB 3.36Å; E359-R363 WeakPolarHBondContact O-CD 3.46Å; E359-R363 WeakPolarHBondContact O-CG 3.35Å; E359-R363 PolarHBondContact O-N 2.89Å; E359-R363 IonicContact OE1-CZ 3.46Å; E359-R363 VanDerWaalsContact OE1-CZ 3.29Å; E359-R363 IonicContact OE1-NE 3.29Å; E359-R363 PolarHBondContact OE1-NE 2.87Å; E359-R363 VanDerWaalsContact OE1-NE 3.15Å; E359-R363 IonicContact OE1-NH2 2.96Å; E359-R363 PolarHBondContact OE1-NH2 3.16Å; E359-R363 IonicContact OE2-NH2 3.12Å; M360-R363 PolarHBondContact O-N 2.99Å; E361-R363 VanDerWaalsContact C-N 3.34Å; E361-R363 PolarHBondContact O-N 3.3Å; R363-H367 WeakPolarHBondContact O-CB 3.46Å; R363-H367 PolarHBondContact O-N 2.6Å; R363-H367 VanDerWaalsContact O-N 3.1Å
364L97.5Very high95.8Very high103 Ų103115 Ų11554%0.53952%0.517SS..Hα-helixtrans-68.2-4617517860.2000111M360 E361 R362 H367 M368M360-L364 WeakPolarHBondContact O-CB 3.49Å; M360-L364 PolarHBondContact O-N 3.31Å; E361-L364 WeakPolarHBondContact O-CB 3.33Å; E361-L364 PolarHBondContact O-N 2.94Å; E361-L364 VanDerWaalsContact O-N 3.13Å; R362-L364 VanDerWaalsContact C-N 3.34Å; R362-L364 PolarHBondContact O-N 3.5Å; L364-H367 WeakPolarHBondContact O-CB 3.34Å; L364-H367 PolarHBondContact O-N 3.14Å; L364-H367 VanDerWaalsContact O-N 3.14Å; L364-M368 HydrophobicContact CD1-CG 4.45Å; L364-M368 HydrophobicContact CD1-SD 4.38Å; L364-M368 HydrophobicContact CG-SD 4.31Å; L364-M368 PolarHBondContact O-N 2.91Å
365K96.5Very high96.4Very high131 Ų131115.3 Ų115.357%0.5752%0.521SS*.Hα-helixtrans-58.7-54.4175.3-174.7167.8-176.5171.10111.1E361 R362 H367 M368 D369E361-K365 WeakPolarHBondContact O-CB 3.47Å; E361-K365 PolarHBondContact O-N 3.14Å; R362-K365 PolarHBondContact O-N 3.28Å; K365-H367 PolarHBondContact O-N 3.23Å; K365-H367 VanDerWaalsContact O-N 3.08Å; K365-M368 PolarHBondContact O-N 3.44Å; K365-D369 WeakPolarHBondContact CG-OD2 3.47Å; K365-D369 PolarHBondContact O-N 3.39Å
366E97.9Very high96.5Very high71 Ų71112.2 Ų112.233%0.33251%0.514SS..Hα-helixtrans-54.3-31.4173.9-77.9-178-140.100113.8R362 R370R362-E366 WeakPolarHBondContact O-CB 3.43Å; R362-E366 WeakPolarHBondContact O-CG 3.39Å; R362-E366 PolarHBondContact O-N 3.29Å; E366-R370 WeakPolarHBondContact O-CB 3.41Å; E366-R370 VanDerWaalsContact O-CD 3.27Å; E366-R370 WeakPolarHBondContact O-CD 3.41Å; E366-R370 WeakPolarHBondContact O-CG 3.47Å; E366-R370 PolarHBondContact O-N 2.93Å; E366-R370 IonicContact OE2-CZ 2.77Å; E366-R370 VanDerWaalsContact OE2-CZ 3.29Å; E366-R370 IonicContact OE2-NH1 3.73Å; E366-R370 PolarHBondContact OE2-NH1 3.45Å; E366-R370 IonicContact OE2-NH2 3.63Å; E366-R370 PolarHBondContact OE2-NH2 3.28Å
367H97.6Very high96.7Very high98 Ų98108.1 Ų108.145%0.45450%0.503SS..Hα-helixtrans-78.8-35.3176.9-17973.8000112.7R363 L364 K365 R371R363-H367 WeakPolarHBondContact O-CB 3.46Å; R363-H367 PolarHBondContact O-N 2.6Å; R363-H367 VanDerWaalsContact O-N 3.1Å; L364-H367 WeakPolarHBondContact O-CB 3.34Å; L364-H367 PolarHBondContact O-N 3.14Å; L364-H367 VanDerWaalsContact O-N 3.14Å; K365-H367 PolarHBondContact O-N 3.23Å; K365-H367 VanDerWaalsContact O-N 3.08Å; H367-R371 WeakPolarHBondContact NE2-CD 3.48Å; H367-R371 WeakPolarHBondContact O-CB 3.29Å; H367-R371 VanDerWaalsContact O-CG 3.3Å; H367-R371 WeakPolarHBondContact O-CG 3.24Å; H367-R371 PolarHBondContact O-N 2.97Å
368M97.2Very high96.8Very high118 Ų118110.4 Ų110.458%0.58151%0.509SS*.Hα-helixtrans-68.5-49.2173.3-75.8178.355.400111L364 K365 R370 R371 L372L364-M368 HydrophobicContact CD1-CG 4.45Å; L364-M368 HydrophobicContact CD1-SD 4.38Å; L364-M368 HydrophobicContact CG-SD 4.31Å; L364-M368 PolarHBondContact O-N 2.91Å; K365-M368 PolarHBondContact O-N 3.44Å; M368-R370 PolarHBondContact O-N 3.33Å; M368-R371 CarbonylContact O-C 3.58Å; M368-R371 WeakPolarHBondContact O-CA 3.29Å; M368-R371 WeakPolarHBondContact O-CB 3.27Å; M368-R371 PolarHBondContact O-N 2.93Å; M368-L372 PolarHBondContact O-N 2.87Å
369D97.1Very high96.8Very high75 Ų75111 Ų11140%0.40152%0.515SS..Hα-helixtrans-54.8-55.5178.4-58.3-18.6000110.2K365 R371 L372 D373K365-D369 WeakPolarHBondContact CG-OD2 3.47Å; K365-D369 PolarHBondContact O-N 3.39Å; D369-R371 PolarHBondContact O-N 3.31Å; D369-R371 VanDerWaalsContact O-N 3.1Å; D369-L372 WeakPolarHBondContact O-CA 3.4Å; D369-L372 WeakPolarHBondContact O-CB 3.12Å; D369-L372 PolarHBondContact O-N 3.21Å; D369-D373 VanDerWaalsContact O-CG 3.26Å; D369-D373 PolarHBondContact O-N 3.45Å
370R97.4Very high96.7Very high149 Ų149111.5 Ų111.556%0.56252%0.517SS*.Hα-helixtrans-59.7-26.2176.8-70.4171.4-171.2136.310.2114.1E366 M368 A374E366-R370 WeakPolarHBondContact O-CB 3.41Å; E366-R370 VanDerWaalsContact O-CD 3.27Å; E366-R370 WeakPolarHBondContact O-CD 3.41Å; E366-R370 WeakPolarHBondContact O-CG 3.47Å; E366-R370 PolarHBondContact O-N 2.93Å; E366-R370 IonicContact OE2-CZ 2.77Å; E366-R370 VanDerWaalsContact OE2-CZ 3.29Å; E366-R370 IonicContact OE2-NH1 3.73Å; E366-R370 PolarHBondContact OE2-NH1 3.45Å; E366-R370 IonicContact OE2-NH2 3.63Å; E366-R370 PolarHBondContact OE2-NH2 3.28Å; M368-R370 PolarHBondContact O-N 3.33Å; R370-A374 WeakPolarHBondContact O-CB 3.42Å; R370-A374 PolarHBondContact O-N 2.73Å
371R97.8Very high96.6Very high151 Ų151111.8 Ų111.857%0.5752%0.515SS*.Hα-helixtrans-79.7-32.3174.3-84.7-178.559.4-174.6-5.3112H367 M368 D369 L375H367-R371 WeakPolarHBondContact NE2-CD 3.48Å; H367-R371 WeakPolarHBondContact O-CB 3.29Å; H367-R371 VanDerWaalsContact O-CG 3.3Å; H367-R371 WeakPolarHBondContact O-CG 3.24Å; H367-R371 PolarHBondContact O-N 2.97Å; M368-R371 CarbonylContact O-C 3.58Å; M368-R371 WeakPolarHBondContact O-CA 3.29Å; M368-R371 WeakPolarHBondContact O-CB 3.27Å; M368-R371 PolarHBondContact O-N 2.93Å; D369-R371 PolarHBondContact O-N 3.31Å; D369-R371 VanDerWaalsContact O-N 3.1Å; R371-L375 WeakPolarHBondContact O-CD1 3.36Å; R371-L375 VanDerWaalsContact O-CG 3.25Å; R371-L375 WeakPolarHBondContact O-CG 3.32Å; R371-L375 PolarHBondContact O-N 3.18Å; R371-L375 VanDerWaalsContact O-N 3.13Å
372L97.7Very high96.5Very high115 Ų115107.6 Ų107.660%0.60250%0.504SS*.Hα-helixtrans-70.5-49.7175-165.2147.6000109.7M368 D369 A374 L375 E376M368-L372 PolarHBondContact O-N 2.87Å; D369-L372 WeakPolarHBondContact O-CA 3.4Å; D369-L372 WeakPolarHBondContact O-CB 3.12Å; D369-L372 PolarHBondContact O-N 3.21Å; L372-A374 PolarHBondContact O-N 3.36Å; L372-L375 WeakPolarHBondContact O-CA 3.32Å; L372-L375 WeakPolarHBondContact O-CB 3.47Å; L372-L375 PolarHBondContact O-N 3.27Å; L372-E376 PolarHBondContact O-N 3.45Å
373D97.3Very high96.3Very high74 Ų74105.6 Ų105.640%0.39651%0.505SS..Hα-helixtrans-49.9-45.9171-55.9-24.2000111.5D369 L375 Q377D369-D373 VanDerWaalsContact O-CG 3.26Å; D369-D373 PolarHBondContact O-N 3.45Å; D373-L375 VanDerWaalsContact C-N 3.28Å; D373-L375 PolarHBondContact O-N 3.26Å; D373-Q377 WeakPolarHBondContact O-CB 3.28Å; D373-Q377 WeakPolarHBondContact O-CG 3.49Å; D373-Q377 PolarHBondContact O-N 3.47Å
374A96.8Very high96Very high42 Ų42103.6 Ų103.635%0.34751%0.505SS..Hα-helixtrans-77.7-8.6-177.700000114.2R370 L372 K378R370-A374 WeakPolarHBondContact O-CB 3.42Å; R370-A374 PolarHBondContact O-N 2.73Å; L372-A374 PolarHBondContact O-N 3.36Å; A374-K378 WeakPolarHBondContact O-CD 3.35Å; A374-K378 VanDerWaalsContact O-CE 3.27Å; A374-K378 WeakPolarHBondContact O-CE 3.48Å; A374-K378 VanDerWaalsContact O-CG 3.24Å; A374-K378 WeakPolarHBondContact O-CG 3.35Å
375L96.5Very high95.5Very high107 Ų107104.4 Ų104.456%0.5651%0.507SS*.Hα-helixtrans-94.4-44.8169-76.7168000110.5R371 L372 D373 K378 L379R371-L375 WeakPolarHBondContact O-CD1 3.36Å; R371-L375 VanDerWaalsContact O-CG 3.25Å; R371-L375 WeakPolarHBondContact O-CG 3.32Å; R371-L375 PolarHBondContact O-N 3.18Å; R371-L375 VanDerWaalsContact O-N 3.13Å; L372-L375 WeakPolarHBondContact O-CA 3.32Å; L372-L375 WeakPolarHBondContact O-CB 3.47Å; L372-L375 PolarHBondContact O-N 3.27Å; D373-L375 VanDerWaalsContact C-N 3.28Å; D373-L375 PolarHBondContact O-N 3.26Å; L375-K378 WeakPolarHBondContact O-CB 3.38Å; L375-K378 PolarHBondContact O-N 2.86Å; L375-L379 PolarHBondContact O-N 3.47Å
376E96Very high94.9Very high111 Ų111100 Ų10052%0.51950%0.496SS..Hα-helixtrans-54.6-55.3173.3-178.5174.3-146.600110.8L372 K378 L379 E380L372-E376 PolarHBondContact O-N 3.45Å; E376-K378 PolarHBondContact O-N 3.21Å; E376-L379 CarbonylContact O-C 3.59Å; E376-L379 WeakPolarHBondContact O-CA 3.49Å; E376-L379 WeakPolarHBondContact O-CB 3.31Å; E376-L379 PolarHBondContact O-N 2.89Å; E376-E380 WeakPolarHBondContact O-CG 3.44Å; E376-E380 PolarHBondContact O-N 2.93Å
377Q96.4Very high94.1Very high94 Ų9499.8 Ų99.844%0.43951%0.506SS..Hα-helixtrans-60.9-21.5176.7-73.4-174.532.200114.3D373 K381D373-Q377 WeakPolarHBondContact O-CB 3.28Å; D373-Q377 WeakPolarHBondContact O-CG 3.49Å; D373-Q377 PolarHBondContact O-N 3.47Å; Q377-K381 WeakPolarHBondContact O-CB 3.33Å; Q377-K381 WeakPolarHBondContact O-CD 3.36Å; Q377-K381 WeakPolarHBondContact O-CE 3.49Å; Q377-K381 WeakPolarHBondContact O-CG 3.45Å; Q377-K381 PolarHBondContact O-N 3.12Å; Q377-K381 VanDerWaalsContact OE1-NZ 3.14Å
378K96.1Very high93.3Very high139 Ų139101.4 Ų101.460%0.60452%0.517SS*.Hα-helixtrans-81-38.2172.5-76.3174.1-169.61650111A374 L375 E376 K381 A382A374-K378 WeakPolarHBondContact O-CD 3.35Å; A374-K378 VanDerWaalsContact O-CE 3.27Å; A374-K378 WeakPolarHBondContact O-CE 3.48Å; A374-K378 VanDerWaalsContact O-CG 3.24Å; A374-K378 WeakPolarHBondContact O-CG 3.35Å; L375-K378 WeakPolarHBondContact O-CB 3.38Å; L375-K378 PolarHBondContact O-N 2.86Å; E376-K378 PolarHBondContact O-N 3.21Å; K378-K381 PolarHBondContact O-N 3.31Å; K378-A382 VanDerWaalsContact O-CB 3.27Å; K378-A382 WeakPolarHBondContact O-CB 3.41Å; K378-A382 PolarHBondContact O-N 2.99Å
379L95.4Very high91.8Very high113 Ų113101.4 Ų101.459%0.59252%0.519SS*.Hα-helixtrans-63.9-47.6174.6-174.165.1000110.6L375 E376 K381 A382 L383L375-L379 PolarHBondContact O-N 3.47Å; E376-L379 CarbonylContact O-C 3.59Å; E376-L379 WeakPolarHBondContact O-CA 3.49Å; E376-L379 WeakPolarHBondContact O-CB 3.31Å; E376-L379 PolarHBondContact O-N 2.89Å; L379-K381 PolarHBondContact O-N 2.84Å; L379-A382 PolarHBondContact O-N 2.68Å; L379-L383 HydrophobicContact CG-CD1 4.06Å; L379-L383 WeakPolarHBondContact O-CB 3.41Å; L379-L383 VanDerWaalsContact O-CG 3.31Å; L379-L383 WeakPolarHBondContact O-CG 3.36Å; L379-L383 PolarHBondContact O-N 2.91Å
380E95.3Very high90.1Very high103 Ų103105.3 Ų105.348%0.48154%0.535SS..Hα-helixtrans-54-50.5172.7-69.2-174124.100111.9E376 A382 L383 L384E376-E380 WeakPolarHBondContact O-CG 3.44Å; E376-E380 PolarHBondContact O-N 2.93Å; E380-A382 VanDerWaalsContact C-N 3.33Å; E380-A382 PolarHBondContact O-N 3.37Å; E380-L383 PolarHBondContact O-N 3.31Å; E380-L384 WeakPolarHBondContact O-CB 3.35Å; E380-L384 WeakPolarHBondContact O-CG 3.37Å; E380-L384 PolarHBondContact O-N 3.42Å
381K93.6Very high87.9Confident109 Ų109101.3 Ų101.347%0.47454%0.541SS..Hα-helixtrans-66.2-34.7-179.8-71.1164.7-160.3153.80111.8Q377 K378 L379 M385Q377-K381 WeakPolarHBondContact O-CB 3.33Å; Q377-K381 WeakPolarHBondContact O-CD 3.36Å; Q377-K381 WeakPolarHBondContact O-CE 3.49Å; Q377-K381 WeakPolarHBondContact O-CG 3.45Å; Q377-K381 PolarHBondContact O-N 3.12Å; Q377-K381 VanDerWaalsContact OE1-NZ 3.14Å; K378-K381 PolarHBondContact O-N 3.31Å; L379-K381 PolarHBondContact O-N 2.84Å; K381-M385 WeakPolarHBondContact O-CB 3.37Å; K381-M385 WeakPolarHBondContact O-CG 3.35Å; K381-M385 PolarHBondContact O-N 2.84Å
382A92.6Very high85.3Confident50 Ų5098 Ų9841%0.41355%0.545SS..Hα-helixtrans-67.8-43.1173.500000111.9K378 L379 E380 M385 A386K378-A382 VanDerWaalsContact O-CB 3.27Å; K378-A382 WeakPolarHBondContact O-CB 3.41Å; K378-A382 PolarHBondContact O-N 2.99Å; L379-A382 PolarHBondContact O-N 2.68Å; E380-A382 VanDerWaalsContact C-N 3.33Å; E380-A382 PolarHBondContact O-N 3.37Å; A382-M385 PolarHBondContact O-N 3.39Å; A382-A386 VanDerWaalsContact O-CB 3.27Å; A382-A386 WeakPolarHBondContact O-CB 3.49Å; A382-A386 PolarHBondContact O-N 3.46Å
383L91.6Very high82.9Confident111 Ų11199.2 Ų99.258%0.58156%0.557SS**Hα-helixtrans-64.3-44.6175.8-73167.7000111.7L379 E380 A386 A387L379-L383 HydrophobicContact CG-CD1 4.06Å; L379-L383 WeakPolarHBondContact O-CB 3.41Å; L379-L383 VanDerWaalsContact O-CG 3.31Å; L379-L383 WeakPolarHBondContact O-CG 3.36Å; L379-L383 PolarHBondContact O-N 2.91Å; E380-L383 PolarHBondContact O-N 3.31Å; L383-A386 PolarHBondContact O-N 3.03Å; L383-A387 WeakPolarHBondContact O-CB 3.45Å; L383-A387 PolarHBondContact O-N 3.45Å
384L91.3Very high80.5Confident112 Ų11299.4 Ų99.459%0.58658%0.576SS**Hα-helixtrans-61.2-46.3175-76.3164.9000111.8E380 A387 L388E380-L384 WeakPolarHBondContact O-CB 3.35Å; E380-L384 WeakPolarHBondContact O-CG 3.37Å; E380-L384 PolarHBondContact O-N 3.42Å; L384-A387 PolarHBondContact O-N 3.48Å; L384-L388 WeakPolarHBondContact O-CB 3.04Å; L384-L388 VanDerWaalsContact O-CG 3.26Å; L384-L388 WeakPolarHBondContact O-CG 3.46Å; L384-L388 PolarHBondContact O-N 3.13Å
385M87.4Confident77.5Confident119 Ų119100.8 Ų100.859%0.58660%0.595SS**Hα-helixtrans-65.9-37.2175-73.4-166.3-57.100112.4K381 A382 N389K381-M385 WeakPolarHBondContact O-CB 3.37Å; K381-M385 WeakPolarHBondContact O-CG 3.35Å; K381-M385 PolarHBondContact O-N 2.84Å; A382-M385 PolarHBondContact O-N 3.39Å; M385-N389 VanDerWaalsContact O-CB 3.31Å; M385-N389 WeakPolarHBondContact O-CB 3.35Å; M385-N389 PolarHBondContact O-N 2.96Å; M385-N389 PolarHBondContact O-ND2 3.02Å
386A83.7Confident75.4Confident40 Ų40101.9 Ų101.933%0.33161%0.608SS.*Hα-helixtrans-62.3-49.3174.900000111A382 L383 L388 N389 H390A382-A386 VanDerWaalsContact O-CB 3.27Å; A382-A386 WeakPolarHBondContact O-CB 3.49Å; A382-A386 PolarHBondContact O-N 3.46Å; L383-A386 PolarHBondContact O-N 3.03Å; A386-L388 PolarHBondContact O-N 2.94Å; A386-N389 PolarHBondContact O-N 3.19Å; A386-H390 PolarHBondContact O-N 2.9Å; A386-H390 PolarHBondContact O-ND1 3.07Å
387A81.8Confident72.7Confident66 Ų66102.8 Ų102.855%0.54562%0.624SS.*Hα-helixtrans-59.9-45.9177.900000112.3L383 L384 N389 H390 G391L383-A387 WeakPolarHBondContact O-CB 3.45Å; L383-A387 PolarHBondContact O-N 3.45Å; L384-A387 PolarHBondContact O-N 3.48Å; A387-N389 PolarHBondContact O-N 3.2Å; A387-H390 PolarHBondContact O-N 2.92Å; A387-G391 PolarHBondContact O-N 2.86Å; A387-G391 VanDerWaalsContact O-N 3.12Å
388L79.4Confident69.7Low131 Ų131102.3 Ų102.369%0.68664%0.644SS**Hα-helixtrans-61.8-41.4176.6-72.3168.2000112.2L384 A386 H390 G391L384-L388 WeakPolarHBondContact O-CB 3.04Å; L384-L388 VanDerWaalsContact O-CG 3.26Å; L384-L388 WeakPolarHBondContact O-CG 3.46Å; L384-L388 PolarHBondContact O-N 3.13Å; A386-L388 PolarHBondContact O-N 2.94Å; L388-H390 VanDerWaalsContact C-N 3.34Å; L388-H390 PolarHBondContact O-N 2.74Å; L388-G391 PolarHBondContact O-N 3.26Å
389N67.8Low66.7Low118 Ų11899.4 Ų99.463%0.63165%0.653SS**Hα-helixtrans-68.3-30.9177.3-73.8-31.1000113M385 A386 A387 G391M385-N389 VanDerWaalsContact O-CB 3.31Å; M385-N389 WeakPolarHBondContact O-CB 3.35Å; M385-N389 PolarHBondContact O-N 2.96Å; M385-N389 PolarHBondContact O-ND2 3.02Å; A386-N389 PolarHBondContact O-N 3.19Å; A387-N389 PolarHBondContact O-N 3.2Å; N389-G391 VanDerWaalsContact C-N 3.34Å
390H59.9Low63.8Low157 Ų157101.2 Ų101.273%0.72767%0.669SS**Hα-helixtrans-75-22.9174.3-73.869000112.7A386 A387 L388 A392A386-H390 PolarHBondContact O-N 2.9Å; A386-H390 PolarHBondContact O-ND1 3.07Å; A387-H390 PolarHBondContact O-N 2.92Å; L388-H390 VanDerWaalsContact C-N 3.34Å; L388-H390 PolarHBondContact O-N 2.74Å; H390-A392 PolarHBondContact O-N 3.25Å
391G51Low61.1Low66 Ų66100.8 Ų100.868%0.6868%0.684SS**THydrogen-bonded Turntrans-72.7-8.6174.600000115.4A387 L388 N389A387-G391 PolarHBondContact O-N 2.86Å; A387-G391 VanDerWaalsContact O-N 3.12Å; L388-G391 PolarHBondContact O-N 3.26Å; N389-G391 VanDerWaalsContact C-N 3.34Å
392A44.8Very low59.5Low81 Ų81101.1 Ų101.167%0.66970%0.697SS**THydrogen-bonded Turntrans-93.7-5.1-170.500000115.5H390H390-A392 PolarHBondContact O-N 3.25Å
393V46.9Very low56.8Low141 Ų141106.7 Ų106.786%0.85572%0.718SS**  trans-105.471.1-178.4-171.40000110.3
394G46Very low53.9Low77 Ų77104.4 Ų104.479%0.79472%0.722SS**  trans-156.839.1-171.800000115.2
395G34.8Very low52.2Low72 Ų72104.9 Ų104.974%0.74273%0.731SS**  trans-130132.1179.800000112.7
396P50.9Low49.9Very low129 Ų129103.6 Ų103.684%0.83873%0.734SS**  trans-103163.8-166.339-36.9000115.2
397P40.6Very low47.6Very low131 Ų131107.6 Ų107.685%0.85175%0.75SS**  trans-117.4148.2161.437.6-27.7000114.2
398G32.8Very low45.6Very low83 Ų83111.5 Ų111.586%0.85676%0.757SS**  trans88.380.1149.700000118.2
399G34.1Very low43.6Very low78 Ų78112.1 Ų112.180%0.80476%0.759SS**  trans-77.3-169.9-179.400000118
400T34.7Very low42.3Very low151 Ų151114.2 Ų114.293%0.92677%0.765SS**  trans-153.3153.5151.522.80000109.8
401A38Very low42.3Very low95 Ų95111.7 Ų111.779%0.78576%0.762SS**  trans-135.3173.2168.400000107.1
402P60.3Low41.7Very low115 Ų115115.1 Ų115.175%0.74777%0.77SS**  cis-134.2-176.75.942.1-25.1000114.5
403I34.2Very low42.2Very low167 Ų167116.8 Ų116.886%0.85677%0.774SS**  trans167136.5134.4-85.2154.6000107.7
404G31.4Very low42Very low64 Ų64114.7 Ų114.766%0.6677%0.772SS**  trans-123-150.8172.600000110.6
405P54.9Low41.8Very low121 Ų121115.5 Ų115.579%0.78677%0.771SS**  cis-130.5-156.4-2.442.8-25.6000112.5
406S39.6Very low42.2Very low93 Ų93123.5 Ų123.565%0.6580%0.797SS**  trans74144.7163.1-73.40000118
407D35.3Very low41.8Very low123 Ų123123.2 Ų123.266%0.65880%0.795SS**  cis-156156.7-1.2-107.5-7.7000114.1
408H40.3Very low41.8Very low149 Ų149122.8 Ų122.869%0.6979%0.792SS**  trans53.8127.8144.9-73.3-53.3000125.2
409I37.2Very low42.3Very low143 Ų143125 Ų12573%0.73379%0.788SS**  69.4134126.3-64.6172.7000117.9
410H40.1Very low42.8Very low162 Ų162127.8 Ų127.875%0.7579%0.787SS**  cis-155.2162.5-1.4-144.2-111.6000109.7
411P59.8Low43.3Very low105 Ų105126.3 Ų126.368%0.68278%0.778SS**  trans-96.2149.7171.736-34.8000114.7
412T39.7Very low43.7Very low138 Ų138128.4 Ų128.485%0.84778%0.778SS**  trans-150.9143.7160.5-40.90000110
413P55Low42.5Very low116 Ų116129.4 Ų129.475%0.75378%0.78SS**  trans-123.1178.5-171.743.7-33.5000116.6
414A42.9Very low43.1Very low97 Ų97126.5 Ų126.580%0.80277%0.774SS**  trans84.7148.2148.200000121.6
415A42.3Very low44.1Very low94 Ų94131.7 Ų131.778%0.77778%0.784SS**  trans64150.2171.900000117.6
416D42.3Very low43.1Very low239 Ų239132.6 Ų132.6100%1.27878%0.784SS**  cis-107.40-5.8-100.4-34000111.2

Retrieved 416 of 416 residues in 258.1 ms (Link to these results)

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