A0A087YGD6_POEFO Loading...

Nicotinate-nucleotide pyrophosphorylase [carboxylating]

Involved in the catabolism of quinolinic acid (QA).

AlphaFold DB , UniProt , Accession A0A087YGD6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 309 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
1M26.8Very low59Low249 Ų249112.9 Ų112.9100%1.22766%0.657SS**  098.10-74.7171.5158.600107.9G3M1-G3 PolarHBondContact O-N 2.94Å
2S32.4Very low61.8Low108 Ų108104.4 Ų104.476%0.75561%0.607SS**  trans-74.9117.6172.251.30000107.7
3G28.5Very low64.3Low53 Ų53100.8 Ų100.855%0.54659%0.588SS.*  trans-53.9170.1169.400000111.6M1 K5M1-G3 PolarHBondContact O-N 2.94Å; G3-K5 PolarHBondContact O-N 3.4Å
4P36.6Very low66.4Low133 Ų133101.6 Ų101.686%0.86460%0.595SS**  trans-52.7111.1175.222-30.8000108A6P4-A6 PolarHBondContact O-N 2.74Å
5K52Low68.4Low174 Ų174105.5 Ų105.576%0.75760%0.598SS**  trans-57.3111.1174.3-79.2-175.8177.5-1780105.2G3 Q7G3-K5 PolarHBondContact O-N 3.4Å; K5-Q7 PolarHBondContact O-N 3.46Å; K5-Q7 VanDerWaalsContact O-N 3.08Å
6A59.8Low70.2Confident90 Ų9099.6 Ų99.674%0.74457%0.566SS**  trans-50.7122.817300000107.1P4 V8P4-A6 PolarHBondContact O-N 2.74Å; A6-V8 PolarHBondContact O-N 3.08Å
7Q74.9Confident71.8Confident115 Ų11594.9 Ų94.954%0.53754%0.538SS..  trans-69.7102.8-176.7-63.7-169.5-7.300107.7K5 V9 H10K5-Q7 PolarHBondContact O-N 3.46Å; K5-Q7 VanDerWaalsContact O-N 3.08Å; Q7-V9 HydrophobicContact CB-CG1 3.89Å; Q7-V9 PolarHBondContact O-N 2.81Å; Q7-H10 WeakPolarHBondContact O-CB 3.49Å; Q7-H10 PolarHBondContact O-N 3.26Å; Q7-H10 PolarHBondContact OE1-CE1 3.29Å; Q7-H10 PolarHBondContact OE1-NE2 3Å
8V81.9Confident73.3Confident51 Ų5192.1 Ų92.131%0.30952%0.524SS..G310 helixtrans-53.6-29.2-175.5-176.40000111.3A6 H10 S11 Y155 L158 V159A6-V8 PolarHBondContact O-N 3.08Å; V8-H10 PolarHBondContact O-N 2.87Å; V8-S11 VanDerWaalsContact O-CB 3.31Å; V8-S11 WeakPolarHBondContact O-CB 3.22Å; V8-S11 PolarHBondContact O-N 3.38Å; V8-S11 PolarHBondContact O-OG 2.82Å; V8-Y155 HydrophobicContact CB-CE2 4.21Å; V8-Y155 HydrophobicContact CG1-CD2 4Å; V8-Y155 HydrophobicContact CG1-CE2 3.67Å; V8-L158 HydrophobicContact CG1-CB 3.68Å; V8-L158 HydrophobicContact CG1-CD1 3.91Å; V8-L158 HydrophobicContact CG1-CG 4.47Å; V8-V159 HydrophobicContact CG1-CG2 4.33Å
9V82.6Confident74.6Confident45 Ų4593.1 Ų93.127%0.27352%0.518SS..G310 helixtrans-53.5-33.4173.265.70000114Q7 S11 I12 P61Q7-V9 HydrophobicContact CB-CG1 3.89Å; Q7-V9 PolarHBondContact O-N 2.81Å; V9-S11 PolarHBondContact O-N 2.6Å; V9-S11 VanDerWaalsContact O-N 3.08Å; V9-I12 PolarHBondContact O-N 2.76Å; V9-P61 HydrophobicContact CB-CG 3.93Å; V9-P61 HydrophobicContact CG2-CB 3.74Å; V9-P61 HydrophobicContact CG2-CG 3.33Å
10H87Confident75.8Confident150 Ų15088.7 Ų88.769%0.69449%0.493SS*.G310 helixtrans-65-13.2178.4-63.6169.2000113.2Q7 V8 I12Q7-H10 WeakPolarHBondContact O-CB 3.49Å; Q7-H10 PolarHBondContact O-N 3.26Å; Q7-H10 PolarHBondContact OE1-CE1 3.29Å; Q7-H10 PolarHBondContact OE1-NE2 3Å; V8-H10 PolarHBondContact O-N 2.87Å; H10-I12 VanDerWaalsContact C-N 3.3Å
11S86.8Confident76.9Confident74 Ų7484.5 Ų84.552%0.51747%0.47SS..G310 helixtrans-76.6-14.7173.869.50000113.7V8 V9V8-S11 VanDerWaalsContact O-CB 3.31Å; V8-S11 WeakPolarHBondContact O-CB 3.22Å; V8-S11 PolarHBondContact O-N 3.38Å; V8-S11 PolarHBondContact O-OG 2.82Å; V9-S11 PolarHBondContact O-N 2.6Å; V9-S11 VanDerWaalsContact O-N 3.08Å
12I92.9Very high80.3Confident11 Ų1179.6 Ų79.66%0.05644%0.438CS..SBendtrans-100.8120.6179.1-56.9169.1000109.4V9 H10 T14 L17 F62 L151 Y155V9-I12 PolarHBondContact O-N 2.76Å; H10-I12 VanDerWaalsContact C-N 3.3Å; I12-T14 PolarHBondContact O-N 3.21Å; I12-L17 HydrophobicContact CD1-CD2 4.31Å; I12-L17 HydrophobicContact CG2-CD1 4.45Å; I12-L17 HydrophobicContact CG2-CD2 3.77Å; I12-L17 HydrophobicContact CG2-CG 3.76Å; I12-F62 HydrophobicContact CD1-CE1 4.35Å; I12-F62 HydrophobicContact CD1-CE2 3.79Å; I12-F62 HydrophobicContact CD1-CZ 3.47Å; I12-F62 VanDerWaalsContact CD1-CZ 3.47Å; I12-L151 HydrophobicContact CG2-CD2 4.17Å; I12-Y155 HydrophobicContact CD1-CD1 4.39Å; I12-Y155 HydrophobicContact CD1-CD2 3.27Å; I12-Y155 HydrophobicContact CD1-CE2 3.58Å; I12-Y155 HydrophobicContact CD1-CG 3.69Å; I12-Y155 HydrophobicContact CG1-CD2 3.95Å; I12-Y155 HydrophobicContact CG1-CE2 4.31Å
13P93.8Very high83.5Confident57 Ų5778.8 Ų78.837%0.3742%0.422SS..  trans-61.2133.6171.7-21.632.9000111.3Y15 S16 L17P13-Y15 VanDerWaalsContact C-N 3.25Å; P13-Y15 HydrophobicContact CB-CD1 3.51Å; P13-Y15 HydrophobicContact CB-CE1 3.17Å; P13-Y15 HydrophobicContact CB-CG 4.4Å; P13-Y15 HydrophobicContact CG-CE1 3.93Å; P13-Y15 PolarHBondContact O-N 2.96Å; P13-S16 VanDerWaalsContact O-CB 3.3Å; P13-S16 WeakPolarHBondContact O-CB 3.5Å; P13-S16 PolarHBondContact O-N 3.11Å; P13-L17 PolarHBondContact O-N 2.7Å
14T93.5Very high86.8Confident112 Ų11277.8 Ų77.869%0.68740%0.402SS*.Hα-helixtrans-55.8-38-177.350.90000113I12 S16 L17 T18I12-T14 PolarHBondContact O-N 3.21Å; T14-S16 PolarHBondContact O-N 3.36Å; T14-L17 WeakPolarHBondContact O-CB 3.1Å; T14-L17 PolarHBondContact O-N 2.88Å; T14-L17 VanDerWaalsContact O-N 3.13Å; T14-T18 PolarHBondContact O-N 3.32Å; T14-T18 VanDerWaalsContact O-N 3.11Å
15Y96.4Very high89.7Confident160 Ų16072.6 Ų72.663%0.62737%0.367SS*.Hα-helixtrans-61.4-28.3176.474.5-98000113P13 R19P13-Y15 VanDerWaalsContact C-N 3.25Å; P13-Y15 HydrophobicContact CB-CD1 3.51Å; P13-Y15 HydrophobicContact CB-CE1 3.17Å; P13-Y15 HydrophobicContact CB-CG 4.4Å; P13-Y15 HydrophobicContact CG-CE1 3.93Å; P13-Y15 PolarHBondContact O-N 2.96Å; Y15-R19 VanDerWaalsContact O-CB 3.28Å; Y15-R19 WeakPolarHBondContact O-CB 3.25Å; Y15-R19 PolarHBondContact O-N 3.19Å
16S97.5Very high91.9Very high12 Ų1267.1 Ų67.18%0.08435%0.354CS..Hα-helixtrans-73.6-36.7177.6-66.10000111.4P13 T14 L20P13-S16 VanDerWaalsContact O-CB 3.3Å; P13-S16 WeakPolarHBondContact O-CB 3.5Å; P13-S16 PolarHBondContact O-N 3.11Å; T14-S16 PolarHBondContact O-N 3.36Å; S16-L20 WeakPolarHBondContact O-CB 3.38Å; S16-L20 WeakPolarHBondContact O-CG 3.28Å; S16-L20 PolarHBondContact O-N 3.4Å; S16-L20 VanDerWaalsContact O-N 3.08Å
17L97.9Very high93.7Very high20 Ų2070.3 Ų70.311%0.10535%0.353CS..Hα-helixtrans-62.7-50.9173.3-64173.8000110.6I12 P13 T14 R19 L20 A21 P61 F62 A65I12-L17 HydrophobicContact CD1-CD2 4.31Å; I12-L17 HydrophobicContact CG2-CD1 4.45Å; I12-L17 HydrophobicContact CG2-CD2 3.77Å; I12-L17 HydrophobicContact CG2-CG 3.76Å; P13-L17 PolarHBondContact O-N 2.7Å; T14-L17 WeakPolarHBondContact O-CB 3.1Å; T14-L17 PolarHBondContact O-N 2.88Å; T14-L17 VanDerWaalsContact O-N 3.13Å; L17-R19 PolarHBondContact O-N 3.26Å; L17-L20 PolarHBondContact O-N 3.48Å; L17-A21 WeakPolarHBondContact O-CB 3.26Å; L17-A21 PolarHBondContact O-N 3.38Å; L17-P61 HydrophobicContact CD1-CB 3.94Å; L17-P61 HydrophobicContact CD2-CB 4.08Å; L17-F62 HydrophobicContact CD2-CD1 3.46Å; L17-F62 VanDerWaalsContact CD2-CD1 3.46Å; L17-F62 HydrophobicContact CD2-CD2 4.5Å; L17-F62 HydrophobicContact CD2-CE1 3.48Å; L17-F62 VanDerWaalsContact CD2-CE1 3.48Å; L17-F62 HydrophobicContact CD2-CG 4.01Å; L17-F62 HydrophobicContact CD2-CZ 4.05Å; L17-A65 HydrophobicContact CB-CB 3.89Å
18T98.1Very high94.8Very high44 Ų4468.7 Ų68.727%0.2735%0.349SS..Hα-helixtrans-58.2-46.2176.9-67.80000112T14 L20 A21 R22 E69T14-T18 PolarHBondContact O-N 3.32Å; T14-T18 VanDerWaalsContact O-N 3.11Å; T18-L20 PolarHBondContact O-N 3.03Å; T18-A21 PolarHBondContact O-N 3.2Å; T18-R22 WeakPolarHBondContact O-CG 3.28Å; T18-R22 PolarHBondContact O-N 3.41Å; T18-E69 VanDerWaalsContact CG2-OE1 3.26Å; T18-E69 WeakPolarHBondContact CG2-OE1 3.43Å
19R98.4Very high95.5Very high110 Ų11068.2 Ų68.242%0.41535%0.346SS..Hα-helixtrans-59.6-49.5179.4-177.8-176.558.470.66.9111.5Y15 L17 R22 E23Y15-R19 VanDerWaalsContact O-CB 3.28Å; Y15-R19 WeakPolarHBondContact O-CB 3.25Å; Y15-R19 PolarHBondContact O-N 3.19Å; L17-R19 PolarHBondContact O-N 3.26Å; R19-R22 PolarHBondContact O-N 3.4Å; R19-E23 VanDerWaalsContact CG-OE1 3.31Å; R19-E23 WeakPolarHBondContact CG-OE1 3.42Å; R19-E23 IonicContact CZ-OE1 2.7Å; R19-E23 IonicContact NH1-OE1 2.91Å; R19-E23 PolarHBondContact NH1-OE1 3.41Å; R19-E23 IonicContact NH1-OE2 3.79Å; R19-E23 PolarHBondContact NH1-OE2 3.13Å; R19-E23 WeakPolarHBondContact O-CG 3.44Å; R19-E23 PolarHBondContact O-N 3.36Å
20L98.5Very high96Very high6 Ų670.4 Ų70.43%0.03136%0.361CS..Hα-helixtrans-63.7-42.7179.6-74.3172.2000112.2S16 L17 T18 R22 E23 W24 F62 L151S16-L20 WeakPolarHBondContact O-CB 3.38Å; S16-L20 WeakPolarHBondContact O-CG 3.28Å; S16-L20 PolarHBondContact O-N 3.4Å; S16-L20 VanDerWaalsContact O-N 3.08Å; L17-L20 PolarHBondContact O-N 3.48Å; T18-L20 PolarHBondContact O-N 3.03Å; L20-R22 VanDerWaalsContact C-N 3.31Å; L20-R22 PolarHBondContact O-N 3.31Å; L20-E23 PolarHBondContact O-N 3.39Å; L20-W24 HydrophobicContact CB-CD2 4.49Å; L20-W24 HydrophobicContact CB-CH2 3.9Å; L20-W24 HydrophobicContact CB-CZ2 3.82Å; L20-W24 HydrophobicContact CB-CZ3 4.25Å; L20-W24 HydrophobicContact CD1-CH2 4.35Å; L20-W24 HydrophobicContact CD1-CZ2 4.23Å; L20-W24 HydrophobicContact CD2-CZ2 4.14Å; L20-W24 HydrophobicContact CG-CZ2 4.3Å; L20-W24 VanDerWaalsContact O-CG 3.23Å; L20-W24 PolarHBondContact O-N 3.5Å; L20-F62 HydrophobicContact CD1-CD1 4.29Å; L20-F62 HydrophobicContact CD1-CE1 3.86Å; L20-L151 HydrophobicContact CD1-CB 4.44Å; L20-L151 HydrophobicContact CD1-CD2 3.84Å
21A98.6Very high96.3Very high0 Ų069.8 Ų69.80%036%0.363CS..Hα-helixtrans-56.5-46.1175.800000111.6L17 T18 W24 L25 A65 V66 E69L17-A21 WeakPolarHBondContact O-CB 3.26Å; L17-A21 PolarHBondContact O-N 3.38Å; T18-A21 PolarHBondContact O-N 3.2Å; A21-W24 PolarHBondContact O-N 3.32Å; A21-L25 WeakPolarHBondContact O-CB 3.31Å; A21-L25 WeakPolarHBondContact O-CD1 3.43Å; A21-L25 VanDerWaalsContact O-CG 3.26Å; A21-L25 WeakPolarHBondContact O-CG 3.43Å; A21-L25 PolarHBondContact O-N 2.73Å; A21-A65 HydrophobicContact CB-CB 4.07Å; A21-V66 HydrophobicContact CB-CG2 3.97Å; A21-E69 HydrophobicContact CB-CG 3.95Å
22R98.4Very high96.6Very high147 Ų14775 Ų7556%0.55538%0.376SS*.Hα-helixtrans-63.9-42.5175.8-71.9178.5-179.8170.86.3113T18 R19 L20 W24 L25 A26 E69T18-R22 WeakPolarHBondContact O-CG 3.28Å; T18-R22 PolarHBondContact O-N 3.41Å; R19-R22 PolarHBondContact O-N 3.4Å; L20-R22 VanDerWaalsContact C-N 3.31Å; L20-R22 PolarHBondContact O-N 3.31Å; R22-W24 VanDerWaalsContact C-N 3.35Å; R22-L25 PolarHBondContact O-N 3.48Å; R22-A26 VanDerWaalsContact O-CB 3.23Å; R22-A26 WeakPolarHBondContact O-CB 3.38Å; R22-A26 PolarHBondContact O-N 3.45Å; R22-E69 HydrophobicContact CG-CG 4.23Å; R22-E69 IonicContact CZ-OE2 2.76Å; R22-E69 VanDerWaalsContact CZ-OE2 3.28Å; R22-E69 IonicContact NE-OE2 3.28Å; R22-E69 PolarHBondContact NE-OE2 2.86Å; R22-E69 IonicContact NH2-OE1 3.77Å; R22-E69 IonicContact NH2-OE2 2.94Å; R22-E69 PolarHBondContact NH2-OE2 3.22Å
23E98.5Very high96.7Very high90 Ų9077.1 Ų77.142%0.42139%0.388SS..Hα-helixtrans-60.2-44.5177.5-75.9168.2-172.500111.2R19 L20 A26 E27R19-E23 VanDerWaalsContact CG-OE1 3.31Å; R19-E23 WeakPolarHBondContact CG-OE1 3.42Å; R19-E23 IonicContact CZ-OE1 2.7Å; R19-E23 IonicContact NH1-OE1 2.91Å; R19-E23 PolarHBondContact NH1-OE1 3.41Å; R19-E23 IonicContact NH1-OE2 3.79Å; R19-E23 PolarHBondContact NH1-OE2 3.13Å; R19-E23 WeakPolarHBondContact O-CG 3.44Å; R19-E23 PolarHBondContact O-N 3.36Å; L20-E23 PolarHBondContact O-N 3.39Å; E23-A26 PolarHBondContact O-N 3.35Å; E23-E27 WeakPolarHBondContact O-CB 3.35Å; E23-E27 PolarHBondContact O-N 2.96Å
24W98.6Very high96.7Very high32 Ų3279.2 Ų79.212%0.12140%0.402CS..Hα-helixtrans-70.9-37.7178.5-55.7-34.6000113.2L20 A21 R22 E27 D28 F62 V66 P108 C112 F149 V152L20-W24 HydrophobicContact CB-CD2 4.49Å; L20-W24 HydrophobicContact CB-CH2 3.9Å; L20-W24 HydrophobicContact CB-CZ2 3.82Å; L20-W24 HydrophobicContact CB-CZ3 4.25Å; L20-W24 HydrophobicContact CD1-CH2 4.35Å; L20-W24 HydrophobicContact CD1-CZ2 4.23Å; L20-W24 HydrophobicContact CD2-CZ2 4.14Å; L20-W24 HydrophobicContact CG-CZ2 4.3Å; L20-W24 VanDerWaalsContact O-CG 3.23Å; L20-W24 PolarHBondContact O-N 3.5Å; A21-W24 PolarHBondContact O-N 3.32Å; R22-W24 VanDerWaalsContact C-N 3.35Å; W24-E27 PolarHBondContact O-N 2.89Å; W24-D28 PolarHBondContact O-N 2.98Å; W24-D28 VanDerWaalsContact O-N 3.07Å; W24-F62 HydrophobicContact CH2-CB 4.21Å; W24-F62 AromaticContact CH2-CD1 3.82Å; W24-F62 HydrophobicContact CH2-CD1 3.82Å; W24-F62 HydrophobicContact CH2-CG 4.29Å; W24-F62 HydrophobicContact CZ3-CB 4.09Å; W24-F62 HydrophobicContact CZ3-CD1 4.34Å; W24-V66 HydrophobicContact CE3-CG2 3.92Å; W24-V66 HydrophobicContact CZ3-CG2 4.3Å; W24-P108 HydrophobicContact CB-CB 4.04Å; W24-C112 HydrophobicContact CH2-CB 4.38Å; W24-C112 HydrophobicContact CZ3-CB 4.15Å; W24-F149 HydrophobicContact CH2-CE2 4.15Å; W24-F149 AromaticContact CZ2-CD2 3.91Å; W24-F149 HydrophobicContact CZ2-CD2 3.91Å; W24-F149 AromaticContact CZ2-CE2 3.62Å; W24-F149 HydrophobicContact CZ2-CE2 3.62Å; W24-V152 HydrophobicContact CH2-CG2 3.74Å; W24-V152 HydrophobicContact CZ2-CG2 3.89Å
25L98.3Very high96.6Very high25 Ų2576.9 Ų76.913%0.13139%0.394CS..Hα-helixtrans-65.1-40.6173.9-73.7164.9000111.4A21 R22 E27 D28 T29 V66 E69 V70 L104 P108A21-L25 WeakPolarHBondContact O-CB 3.31Å; A21-L25 WeakPolarHBondContact O-CD1 3.43Å; A21-L25 VanDerWaalsContact O-CG 3.26Å; A21-L25 WeakPolarHBondContact O-CG 3.43Å; A21-L25 PolarHBondContact O-N 2.73Å; R22-L25 PolarHBondContact O-N 3.48Å; L25-E27 VanDerWaalsContact C-N 3.34Å; L25-D28 PolarHBondContact O-N 3.07Å; L25-T29 PolarHBondContact O-N 3.39Å; L25-V66 HydrophobicContact CD2-CG1 4.17Å; L25-V66 HydrophobicContact CG-CG1 4.4Å; L25-E69 HydrophobicContact CD1-CB 3.78Å; L25-V70 HydrophobicContact CD1-CG1 3.78Å; L25-V70 HydrophobicContact CD2-CG1 3.69Å; L25-V70 HydrophobicContact CG-CG1 4.42Å; L25-L104 HydrophobicContact CD2-CG 4.48Å; L25-P108 HydrophobicContact CD2-CG 4.43Å
26A97.7Very high96.4Very high59 Ų5969.7 Ų69.749%0.48837%0.368SS..Hα-helixtrans-68.6-32.917700000112.5R22 E23 P30R22-A26 VanDerWaalsContact O-CB 3.23Å; R22-A26 WeakPolarHBondContact O-CB 3.38Å; R22-A26 PolarHBondContact O-N 3.45Å; E23-A26 PolarHBondContact O-N 3.35Å; A26-P30 VanDerWaalsContact O-CA 3.26Å; A26-P30 WeakPolarHBondContact O-CA 3.47Å; A26-P30 WeakPolarHBondContact O-CB 3.4Å
27E97.9Very high96.1Very high156 Ų15675 Ų7573%0.72940%0.4SS*.Hα-helixtrans-64.6-48.9172.1178.2-174.2-128.400111.7E23 W24 L25E23-E27 WeakPolarHBondContact O-CB 3.35Å; E23-E27 PolarHBondContact O-N 2.96Å; W24-E27 PolarHBondContact O-N 2.89Å; L25-E27 VanDerWaalsContact C-N 3.34Å
28D97.3Very high95.9Very high82 Ų8279.4 Ų79.444%0.43943%0.431SS..Hα-helixtrans-84.1-20.7-171.9-149.838.6000112.8W24 L25 R107 P108W24-D28 PolarHBondContact O-N 2.98Å; W24-D28 VanDerWaalsContact O-N 3.07Å; L25-D28 PolarHBondContact O-N 3.07Å; D28-R107 WeakPolarHBondContact OD2-CB 3.44Å; D28-P108 HydrophobicContact CB-CG 3.93Å; D28-P108 WeakPolarHBondContact OD2-CD 3.16Å
29T95.8Very high95.6Very high41 Ų4180.1 Ų80.125%0.25244%0.435SS..  trans-141.372.9174.1-53.90000111.1L25 N31 D33 L104L25-T29 PolarHBondContact O-N 3.39Å; T29-N31 VanDerWaalsContact C-N 3.28Å; T29-N31 PolarHBondContact O-N 3.23Å; T29-D33 HydrophobicContact CG2-CB 4.12Å; T29-L104 HydrophobicContact CG2-CD1 3.82Å; T29-L104 WeakPolarHBondContact OG1-CD1 3.37Å
30P94.1Very high95.3Very high91 Ų9176.3 Ų76.359%0.59143%0.43SS*.SBendtrans-72.1-20.3-178.526.7-34.4000113.7A26A26-P30 VanDerWaalsContact O-CA 3.26Å; A26-P30 WeakPolarHBondContact O-CA 3.47Å; A26-P30 WeakPolarHBondContact O-CB 3.4Å
31N93.6Very high95.1Very high136 Ų13678.3 Ų78.373%0.72745%0.445SS*.SBendtrans-134.8-94.2-173.7-61.1-63.3000111.9T29T29-N31 VanDerWaalsContact C-N 3.28Å; T29-N31 PolarHBondContact O-N 3.23Å
32F93.6Very high94.9Very high184 Ų18485.6 Ų85.681%0.80748%0.479SS*.  trans-108.5148.2-175.9-59.4-71000111P34F32-P34 WeakPolarHBondContact O-CD 3.32Å
33D93.4Very high94.8Very high56 Ų5685 Ų8530%0.29948%0.482SS..  trans-110.992.1163.7171.216.6000109.3T29 A35 G36 L104T29-D33 HydrophobicContact CG2-CB 4.12Å; D33-A35 VanDerWaalsContact C-N 3.26Å; D33-A35 PolarHBondContact O-N 3.08Å; D33-A35 PolarHBondContact OD1-N 3.46Å; D33-G36 VanDerWaalsContact CG-N 3.26Å; D33-G36 PolarHBondContact O-N 3.05Å; D33-G36 PolarHBondContact OD1-N 2.92Å; D33-G36 VanDerWaalsContact OD2-CA 3.23Å; D33-G36 WeakPolarHBondContact OD2-CA 3.27Å; D33-G36 PolarHBondContact OD2-N 3.21Å; D33-L104 HydrophobicContact CB-CD1 4.45Å
34P93.9Very high94.7Very high101 Ų10182.4 Ų82.466%0.65647%0.472SS*.THydrogen-bonded Turntrans-63.2-30.7178.2-23.234.5000113.4F32 G36 V37F32-P34 WeakPolarHBondContact O-CD 3.32Å; P34-G36 VanDerWaalsContact C-N 3.34Å; P34-V37 PolarHBondContact O-N 2.88Å
35A92.1Very high94.7Very high63 Ų6383.8 Ų83.852%0.52148%0.48SS..THydrogen-bonded Turntrans-73.8-28.7-178.800000111.8D33 V37 C38D33-A35 VanDerWaalsContact C-N 3.26Å; D33-A35 PolarHBondContact O-N 3.08Å; D33-A35 PolarHBondContact OD1-N 3.46Å; A35-V37 PolarHBondContact O-N 2.96Å; A35-C38 WeakPolarHBondContact O-CB 3.43Å; A35-C38 PolarHBondContact O-N 3.17Å
36G91.2Very high94.7Very high9 Ų982.6 Ų82.69%0.09347%0.474CS..Hα-helixtrans-55.9-30.9172.700000113.7D33 P34 C38 V39 G40D33-G36 VanDerWaalsContact CG-N 3.26Å; D33-G36 PolarHBondContact O-N 3.05Å; D33-G36 PolarHBondContact OD1-N 2.92Å; D33-G36 VanDerWaalsContact OD2-CA 3.23Å; D33-G36 WeakPolarHBondContact OD2-CA 3.27Å; D33-G36 PolarHBondContact OD2-N 3.21Å; P34-G36 VanDerWaalsContact C-N 3.34Å; G36-C38 VanDerWaalsContact C-N 3.28Å; G36-C38 PolarHBondContact O-N 3.47Å; G36-V39 WeakPolarHBondContact O-CG2 3.39Å; G36-V39 PolarHBondContact O-N 2.91Å; G36-G40 PolarHBondContact O-N 2.67Å
37V92.6Very high94.7Very high124 Ų12481.8 Ų81.875%0.75246%0.459SS*.Hα-helixtrans-64.7-34176.1-177.80000111.5P34 A35 V39P34-V37 PolarHBondContact O-N 2.88Å; A35-V37 PolarHBondContact O-N 2.96Å; V37-V39 VanDerWaalsContact C-N 3.3Å; V37-V39 PolarHBondContact O-N 2.96Å
38C93.4Very high94.7Very high112 Ų11274.3 Ų74.376%0.75743%0.425SS*.Hα-helixtrans-71.5-23.5-177.3-60.10000113.5A35 G36A35-C38 WeakPolarHBondContact O-CB 3.43Å; A35-C38 PolarHBondContact O-N 3.17Å; G36-C38 VanDerWaalsContact C-N 3.28Å; G36-C38 PolarHBondContact O-N 3.47Å
39V92.6Very high94.8Very high58 Ų5871.9 Ų71.935%0.35241%0.411SS..Hα-helixtrans-109.2-21.7-170.9-61.10000113.9G36 V37 A99 R100 L103G36-V39 WeakPolarHBondContact O-CG2 3.39Å; G36-V39 PolarHBondContact O-N 2.91Å; V37-V39 VanDerWaalsContact C-N 3.3Å; V37-V39 PolarHBondContact O-N 2.96Å; V39-A99 HydrophobicContact CB-CB 4.03Å; V39-A99 HydrophobicContact CG2-CB 4.14Å; V39-R100 HydrophobicContact CG2-CB 4.01Å; V39-L103 HydrophobicContact CB-CD1 4.36Å; V39-L103 HydrophobicContact CG1-CD1 3.78Å; V39-L103 HydrophobicContact CG2-CD1 4.14Å
40G91.3Very high94.9Very high30 Ų3070 Ų7031%0.30940%0.4SS..THydrogen-bonded Turntrans68.9-156176.900000114G36 R100G36-G40 PolarHBondContact O-N 2.67Å; G40-R100 VanDerWaalsContact O-CB 3.31Å; G40-R100 WeakPolarHBondContact O-CB 3.49Å; G40-R100 WeakPolarHBondContact O-CG 3.27Å; G40-R100 PolarHBondContact O-N 3.03Å; G40-R100 VanDerWaalsContact O-N 3.08Å
41S95.1Very high95.1Very high49 Ų4969.3 Ų69.334%0.34339%0.388SS..THydrogen-bonded Turntrans-119.613.9-172.6-52.70000114R100S41-R100 PolarHBondContact OG-NE 2.85Å; S41-R100 PolarHBondContact OG-NH1 3.08Å; S41-R100 PolarHBondContact OG-NH2 3.42Å
42E94.4Very high95.3Very high152 Ų15265.3 Ų65.371%0.7137%0.368SS*.  trans-59.3140.6174.1-62.3-57.5136.700109.8V44 A99E42-V44 PolarHBondContact O-N 3.47Å; E42-A99 PolarHBondContact O-N 3.03Å
43E95.7Very high95.4Very high134 Ų13459.1 Ų59.163%0.62635%0.347SS*.EExtended strand (participates in β ladder)trans-67.8124.4176.5-73.3-62.3146.100109.8G97 P98E43-G97 WeakPolarHBondContact OE2-CA 3.41Å; E43-P98 WeakPolarHBondContact OE1-CD 3.25Å
44V96.4Very high95.5Very high36 Ų3662.1 Ų62.122%0.21836%0.358CS..EExtended strand (participates in β ladder)trans-128.8158.5179.3-63.60000111.2E42 R96 G97 A99 L102 V290E42-V44 PolarHBondContact O-N 3.47Å; V44-R96 WeakPolarHBondContact O-CA 3.49Å; V44-G97 WeakPolarHBondContact CG2-O 3.21Å; V44-G97 PolarHBondContact N-O 3.43Å; V44-G97 PolarHBondContact O-N 2.94Å; V44-A99 HydrophobicContact CG1-CB 3.97Å; V44-A99 HydrophobicContact CG2-CB 3.84Å; V44-L102 HydrophobicContact CG2-CD1 4.05Å; V44-V290 HydrophobicContact CB-CG1 4.13Å; V44-V290 HydrophobicContact CG1-CG1 4.42Å; V44-V290 HydrophobicContact CG2-CG1 4.43Å
45E97.4Very high95.7Very high62 Ų6257.3 Ų57.329%0.2933%0.327SS..EExtended strand (participates in β ladder)trans-113.1133.8172.3-173.7-179.8103.800109.4V94 V95 R96 V290 Q291E45-V94 VanDerWaalsContact CD-CG1 3.45Å; E45-V94 HydrophobicContact CG-CG1 3.24Å; E45-V95 WeakPolarHBondContact CA-O 3.48Å; E45-R96 HydrophobicContact CB-CG 4.34Å; E45-R96 HydrophobicContact CG-CG 4.09Å; E45-R96 IonicContact OE2-CZ 3.76Å; E45-R96 IonicContact OE2-NE 2.82Å; E45-R96 PolarHBondContact OE2-NE 3.29Å; E45-R96 IonicContact OE2-NH2 3.14Å; E45-R96 PolarHBondContact OE2-NH2 2.89Å; E45-V290 WeakPolarHBondContact O-CA 3.49Å; E45-Q291 PolarHBondContact O-N 2.83Å
46A98.2Very high96Very high0 Ų054.6 Ų54.60%030%0.304CS..EExtended strand (participates in β ladder)trans-124.3139.5170.400000112.1V94 V95 L102 L288 K289 V290A46-V94 WeakPolarHBondContact O-CA 3.22Å; A46-V95 PolarHBondContact N-O 2.93Å; A46-V95 PolarHBondContact O-N 2.75Å; A46-L102 HydrophobicContact CB-CD1 3.62Å; A46-L102 HydrophobicContact CB-CD2 3.71Å; A46-L102 HydrophobicContact CB-CG 4.27Å; A46-L288 HydrophobicContact CB-CD1 3.81Å; A46-L288 HydrophobicContact CB-CD2 4.34Å; A46-L288 HydrophobicContact CB-CG 3.72Å; A46-K289 CarbonylContact C-O 3.57Å; A46-K289 VanDerWaalsContact CA-O 3.27Å; A46-K289 WeakPolarHBondContact CA-O 3.47Å; A46-V290 HydrophobicContact CB-CG2 4.16Å
47K98.4Very high96.4Very high41 Ų4154.2 Ų54.218%0.17830%0.3CS..EExtended strand (participates in β ladder)trans-96.1127.4176.8-69.8178.2-178.8157.50110.1L49 V91 V94 K289K47-L49 HydrophobicContact CB-CD2 4.13Å; K47-V91 HydrophobicContact CB-CG1 4.14Å; K47-V91 HydrophobicContact CD-CG1 4.36Å; K47-V91 HydrophobicContact CD-CG2 4.47Å; K47-V91 HydrophobicContact CG-CG1 4.27Å; K47-V94 HydrophobicContact CG-CG2 4.43Å; K47-K289 PolarHBondContact N-O 2.87Å; K47-K289 PolarHBondContact O-N 2.84Å
48L98.7Very high96.7Very high0 Ų048.3 Ų48.30%026%0.264CS..EExtended strand (participates in β ladder)trans-82.4119.5170.5179.667.6000108.9F63 W76 V91 T92 A93 L110 L113 F286 L288L48-F63 HydrophobicContact CD1-CE2 3.94Å; L48-F63 HydrophobicContact CD1-CZ 4.03Å; L48-F63 HydrophobicContact CD2-CE1 4.37Å; L48-F63 HydrophobicContact CD2-CE2 4.07Å; L48-F63 HydrophobicContact CD2-CZ 3.87Å; L48-F63 HydrophobicContact CG-CZ 4.4Å; L48-W76 HydrophobicContact CD2-CH2 3.84Å; L48-W76 HydrophobicContact CD2-CZ3 3.78Å; L48-V91 WeakPolarHBondContact O-CA 3.36Å; L48-T92 WeakPolarHBondContact CD2-OG1 3.44Å; L48-T92 VanDerWaalsContact CG-OG1 3.27Å; L48-T92 WeakPolarHBondContact CG-OG1 3.47Å; L48-T92 PolarHBondContact O-N 2.92Å; L48-T92 PolarHBondContact O-OG1 3Å; L48-T92 VanDerWaalsContact O-OG1 3.07Å; L48-A93 HydrophobicContact CB-CB 4.03Å; L48-A93 HydrophobicContact CD2-CB 3.95Å; L48-A93 PolarHBondContact N-O 2.89Å; L48-L110 HydrophobicContact CD1-CD2 3.43Å; L48-L110 VanDerWaalsContact CD1-CD2 3.43Å; L48-L113 HydrophobicContact CD1-CD2 4.33Å; L48-L113 HydrophobicContact CD2-CD2 3.64Å; L48-F286 HydrophobicContact CD1-CB 4.2Å; L48-F286 HydrophobicContact CD1-CD1 4.07Å; L48-F286 HydrophobicContact CD2-CD1 4.43Å; L48-F286 HydrophobicContact CG-CD1 4.16Å; L48-L288 HydrophobicContact CB-CD1 4.1Å; L48-L288 HydrophobicContact CD1-CD1 4.5Å
49L98.4Very high96.9Very high30 Ų3043 Ų4316%0.15723%0.228CC..EExtended strand (participates in β ladder)trans-111124.1-177.3-51.3-179.6000109.6K47 V89 T90 V91 F286 S287 K289K47-L49 HydrophobicContact CB-CD2 4.13Å; L49-V89 HydrophobicContact CB-CG1 3.96Å; L49-V89 HydrophobicContact CD1-CG1 4.19Å; L49-V89 HydrophobicContact CD2-CG1 4.45Å; L49-V89 HydrophobicContact CG-CG1 4.43Å; L49-T90 CarbonylContact C-O 3.49Å; L49-T90 WeakPolarHBondContact CA-O 3.45Å; L49-V91 HydrophobicContact CD2-CB 4.33Å; L49-V91 HydrophobicContact CD2-CG2 3.7Å; L49-F286 CarbonylContact O-C 3.55Å; L49-F286 VanDerWaalsContact O-CA 3.24Å; L49-F286 WeakPolarHBondContact O-CA 3.41Å; L49-S287 PolarHBondContact N-O 3.37Å; L49-S287 PolarHBondContact O-N 3.11Å; L49-K289 HydrophobicContact CD1-CB 4.38Å; L49-K289 HydrophobicContact CD1-CG 3.68Å; L49-K289 HydrophobicContact CG-CG 4.41Å
50C98.5Very high97.2Very high2 Ų240.9 Ų40.91%0.01422%0.216CC..EExtended strand (participates in β ladder)trans-90.3129.6165.9-176.80000109T52 I84 V89 T90 T92 F286C50-T52 PolarHBondContact SG-O 2.87Å; C50-T52 VanDerWaalsContact SG-O 3.41Å; C50-I84 HydrophobicContact CB-CD1 4.2Å; C50-I84 HydrophobicContact CB-CG2 3.71Å; C50-V89 CarbonylContact O-C 3.47Å; C50-V89 WeakPolarHBondContact O-CA 3.47Å; C50-T90 PolarHBondContact N-O 2.99Å; C50-T90 PolarHBondContact O-N 3.08Å; C50-T92 HydrophobicContact CB-CG2 3.71Å; C50-F286 HydrophobicContact CB-CD1 3.89Å; C50-F286 HydrophobicContact CB-CE1 3.51Å; C50-F286 HydrophobicContact CB-CZ 4.15Å
51K98.2Very high97.5Very high76 Ų7640.1 Ų40.133%0.3321%0.206SC..  trans-116.72.8-177.6-55.5178.9-167150.30113.8P53 A88 V89 D285 S287K51-P53 WeakPolarHBondContact O-CD 3.31Å; K51-A88 CarbonylContact C-O 3.38Å; K51-A88 WeakPolarHBondContact CA-O 3.2Å; K51-V89 HydrophobicContact CG-CG1 4.37Å; K51-V89 HydrophobicContact CG-CG2 4.24Å; K51-D285 HydrophobicContact CB-CB 4.13Å; K51-D285 WeakPolarHBondContact CD-OD2 3.4Å; K51-D285 PolarHBondContact N-O 2.95Å; K51-D285 IonicContact NZ-OD1 2.64Å; K51-S287 WeakPolarHBondContact CE-OG 3.32Å; K51-S287 PolarHBondContact NZ-OG 3.48Å
52T97.6Very high97.7Very high52 Ų5237.8 Ų37.832%0.31919%0.19SC..SBendtrans-106.2104.8172.4-55.30000108.1C50 T55 D285C50-T52 PolarHBondContact SG-O 2.87Å; C50-T52 VanDerWaalsContact SG-O 3.41Å; T52-T55 WeakPolarHBondContact CB-OG1 3.38Å; T52-T55 WeakPolarHBondContact O-CB 3.23Å; T52-T55 PolarHBondContact O-N 2.87Å; T52-T55 PolarHBondContact O-OG1 3.36Å; T52-D285 PolarHBondContact OG1-N 3.37Å
53P95.6Very high97.9Very high55 Ų5530.6 Ų30.636%0.35716%0.156SC..THydrogen-bonded Turntrans-57.3151.5177.1-25.234.5000112.2K51 T55K51-P53 WeakPolarHBondContact O-CD 3.31Å; P53-T55 PolarHBondContact O-N 3.23Å
54H96.4Very high98Very high118 Ų11826.1 Ų26.155%0.54614%0.138SC..THydrogen-bonded Turntrans61.119.6-178.4-49.3-68.8000114.7V56 V83 I84H54-V56 PolarHBondContact O-N 3.13Å; H54-V83 HydrophobicContact CB-CG1 4.35Å; H54-I84 WeakPolarHBondContact CA-O 3.11Å; H54-I84 PolarHBondContact N-O 3.08Å
55T98.4Very high98.1Very high1 Ų124.9 Ų24.91%0.00613%0.132CC..EExtended strand (participates in β ladder)trans-64.6130.9172.4-73.20000110.1T52 P53 V83 I84 S284 F286T52-T55 WeakPolarHBondContact CB-OG1 3.38Å; T52-T55 WeakPolarHBondContact O-CB 3.23Å; T52-T55 PolarHBondContact O-N 2.87Å; T52-T55 PolarHBondContact O-OG1 3.36Å; P53-T55 PolarHBondContact O-N 3.23Å; T55-V83 CarbonylContact O-C 3.58Å; T55-V83 WeakPolarHBondContact O-CA 3.3Å; T55-I84 HydrophobicContact CG2-CD1 4.3Å; T55-I84 PolarHBondContact N-O 3.14Å; T55-I84 PolarHBondContact O-N 3.33Å; T55-S284 WeakPolarHBondContact CG2-OG 3.32Å; T55-S284 PolarHBondContact OG1-OG 3.34Å; T55-F286 HydrophobicContact CG2-CE2 4.23Å; T55-F286 HydrophobicContact CG2-CZ 4.04Å
56V98.5Very high98.2Very high6 Ų622 Ų224%0.03612%0.118CC..EExtended strand (participates in β ladder)trans-80117.9164.4179.50000108.2H54 A58 V83 S117 A120 T121 V159H54-V56 PolarHBondContact O-N 3.13Å; V56-A58 PolarHBondContact O-N 3.27Å; V56-V83 HydrophobicContact CG2-CG2 4.31Å; V56-S117 WeakPolarHBondContact O-CA 3.49Å; V56-S117 VanDerWaalsContact O-CB 3.32Å; V56-S117 WeakPolarHBondContact O-CB 3.44Å; V56-A120 HydrophobicContact CB-CB 4.17Å; V56-A120 HydrophobicContact CG1-CB 3.95Å; V56-T121 PolarHBondContact N-OG1 2.72Å; V56-V159 HydrophobicContact CG1-CG1 4.36Å
57L98.5Very high98.2Very high0 Ų022 Ų220%012%0.118CC..PPolyproline II helixtrans-65117175.8-178.860.7000109.7W76 G81 A82 I84 L113 F286L57-W76 HydrophobicContact CD1-CH2 4.37Å; L57-W76 HydrophobicContact CD1-CZ3 3.8Å; L57-W76 HydrophobicContact CD2-CE3 3.88Å; L57-W76 HydrophobicContact CD2-CZ3 3.91Å; L57-W76 HydrophobicContact CG-CZ3 4.44Å; L57-G81 WeakPolarHBondContact O-CA 3.27Å; L57-G81 PolarHBondContact O-N 2.6Å; L57-A82 PolarHBondContact N-O 3.02Å; L57-I84 HydrophobicContact CB-CD1 3.76Å; L57-I84 HydrophobicContact CB-CG1 4.3Å; L57-I84 HydrophobicContact CD1-CD1 4.1Å; L57-I84 HydrophobicContact CG-CD1 4.38Å; L57-L113 HydrophobicContact CD1-CD1 3.95Å; L57-F286 HydrophobicContact CD1-CZ 4.36Å
58A98.5Very high98.2Very high0 Ų023.9 Ų23.90%013%0.133CC..  trans-143.2138.6171.300000110.4V56 E80 L113 A116 S117 A120 A156 V159V56-A58 PolarHBondContact O-N 3.27Å; A58-E80 WeakPolarHBondContact CA-OE1 3.44Å; A58-L113 WeakPolarHBondContact O-CD1 3.38Å; A58-A116 HydrophobicContact CB-CB 4.44Å; A58-A116 WeakPolarHBondContact O-CB 3.35Å; A58-S117 PolarHBondContact N-OG 3.16Å; A58-S117 PolarHBondContact O-N 3.29Å; A58-S117 PolarHBondContact O-OG 3.08Å; A58-A120 HydrophobicContact CB-CB 3.36Å; A58-A156 HydrophobicContact CB-CB 4.46Å; A58-V159 HydrophobicContact CB-CB 3.99Å; A58-V159 HydrophobicContact CB-CG1 3.7Å; A58-V159 HydrophobicContact CB-CG2 4.43Å
59G98.2Very high98.2Very high0 Ų026.8 Ų26.80%015%0.147CC..  trans107.510.4178.600000113.9P61 F62 F63 E80G59-P61 VanDerWaalsContact C-CD 3.42Å; G59-P61 VanDerWaalsContact C-N 3.33Å; G59-F62 PolarHBondContact O-N 3.43Å; G59-F62 VanDerWaalsContact O-N 3.14Å; G59-F63 PolarHBondContact O-N 3.44Å; G59-E80 PolarHBondContact N-OE1 3.39Å; G59-E80 PolarHBondContact N-OE2 3.03Å
60S98.1Very high98.2Very high14 Ų1426.1 Ų26.110%0.09814%0.144CC..Hα-helixtrans-57.6-34.7178.355.80000114.1T64 W76 E80S60-T64 VanDerWaalsContact O-CB 3.27Å; S60-T64 WeakPolarHBondContact O-CB 3.2Å; S60-T64 PolarHBondContact O-N 2.89Å; S60-T64 PolarHBondContact O-OG1 3.35Å; S60-W76 VanDerWaalsContact CA-CZ2 3.48Å; S60-W76 VanDerWaalsContact CB-CE2 3.42Å; S60-E80 WeakPolarHBondContact CB-OE1 3.49Å; S60-E80 PolarHBondContact N-OE1 3.23Å; S60-E80 PolarHBondContact N-OE2 3.37Å; S60-E80 PolarHBondContact OG-OE1 3.21Å; S60-E80 PolarHBondContact OG-OE2 2.96Å; S60-E80 VanDerWaalsContact OG-OE2 3.1Å
61P98.4Very high98.2Very high14 Ų1428.7 Ų28.79%0.09117%0.171CC..Hα-helixtrans-65.5-39.4174.5-22.633.8000113V9 L17 G59 A65 E80 Y155V9-P61 HydrophobicContact CB-CG 3.93Å; V9-P61 HydrophobicContact CG2-CB 3.74Å; V9-P61 HydrophobicContact CG2-CG 3.33Å; L17-P61 HydrophobicContact CD1-CB 3.94Å; L17-P61 HydrophobicContact CD2-CB 4.08Å; G59-P61 VanDerWaalsContact C-CD 3.42Å; G59-P61 VanDerWaalsContact C-N 3.33Å; P61-A65 WeakPolarHBondContact O-CB 3.23Å; P61-A65 PolarHBondContact O-N 3.41Å; P61-E80 WeakPolarHBondContact CD-OE2 3.26Å; P61-Y155 HydrophobicContact CG-CE1 4.49Å; P61-Y155 WeakPolarHBondContact CG-OH 3.46Å
62F98.7Very high98.2Very high1 Ų125.3 Ų25.30%0.00416%0.157CC..Hα-helixtrans-70.7-43.7179.1-60.1-81.2000111.2I12 L17 L20 W24 G59 T64 A65 V66 C112 L151 V152 Y155I12-F62 HydrophobicContact CD1-CE1 4.35Å; I12-F62 HydrophobicContact CD1-CE2 3.79Å; I12-F62 HydrophobicContact CD1-CZ 3.47Å; I12-F62 VanDerWaalsContact CD1-CZ 3.47Å; L17-F62 HydrophobicContact CD2-CD1 3.46Å; L17-F62 VanDerWaalsContact CD2-CD1 3.46Å; L17-F62 HydrophobicContact CD2-CD2 4.5Å; L17-F62 HydrophobicContact CD2-CE1 3.48Å; L17-F62 VanDerWaalsContact CD2-CE1 3.48Å; L17-F62 HydrophobicContact CD2-CG 4.01Å; L17-F62 HydrophobicContact CD2-CZ 4.05Å; L20-F62 HydrophobicContact CD1-CD1 4.29Å; L20-F62 HydrophobicContact CD1-CE1 3.86Å; W24-F62 HydrophobicContact CH2-CB 4.21Å; W24-F62 AromaticContact CH2-CD1 3.82Å; W24-F62 HydrophobicContact CH2-CD1 3.82Å; W24-F62 HydrophobicContact CH2-CG 4.29Å; W24-F62 HydrophobicContact CZ3-CB 4.09Å; W24-F62 HydrophobicContact CZ3-CD1 4.34Å; G59-F62 PolarHBondContact O-N 3.43Å; G59-F62 VanDerWaalsContact O-N 3.14Å; F62-T64 VanDerWaalsContact C-N 3.33Å; F62-T64 PolarHBondContact O-N 2.87Å; F62-A65 PolarHBondContact O-N 3.45Å; F62-V66 WeakPolarHBondContact O-CG2 3.33Å; F62-V66 PolarHBondContact O-N 3.33Å; F62-C112 VanDerWaalsContact CB-SG 3.51Å; F62-L151 HydrophobicContact CE1-CD2 4.37Å; F62-L151 HydrophobicContact CE1-CG 4.47Å; F62-L151 HydrophobicContact CZ-CG 4.27Å; F62-V152 HydrophobicContact CD1-CG2 3.86Å; F62-V152 HydrophobicContact CD2-CG1 4.26Å; F62-V152 HydrophobicContact CD2-CG2 4.29Å; F62-V152 HydrophobicContact CE1-CG2 3.66Å; F62-V152 HydrophobicContact CE2-CB 4.37Å; F62-V152 HydrophobicContact CE2-CG1 4.21Å; F62-V152 HydrophobicContact CE2-CG2 4.11Å; F62-V152 HydrophobicContact CG-CG2 4.17Å; F62-V152 HydrophobicContact CZ-CB 4.32Å; F62-V152 HydrophobicContact CZ-CG2 3.79Å; F62-Y155 HydrophobicContact CD2-CD1 4.46Å; F62-Y155 AromaticContact CE2-CD1 3.67Å; F62-Y155 HydrophobicContact CE2-CD1 3.67Å; F62-Y155 HydrophobicContact CE2-CE1 4.21Å; F62-Y155 AromaticContact CE2-CG 3.98Å; F62-Y155 HydrophobicContact CE2-CG 3.98Å
63F98.8Very high98.2Very high0 Ų026.9 Ų26.90%017%0.166CC..Hα-helixtrans-58.6-46.3174-177.4-79.5000111L48 G59 A65 V66 F67 V74 W76 V95 A109 L110 L113L48-F63 HydrophobicContact CD1-CE2 3.94Å; L48-F63 HydrophobicContact CD1-CZ 4.03Å; L48-F63 HydrophobicContact CD2-CE1 4.37Å; L48-F63 HydrophobicContact CD2-CE2 4.07Å; L48-F63 HydrophobicContact CD2-CZ 3.87Å; L48-F63 HydrophobicContact CG-CZ 4.4Å; G59-F63 PolarHBondContact O-N 3.44Å; F63-A65 VanDerWaalsContact C-N 3.35Å; F63-A65 PolarHBondContact O-N 3.5Å; F63-V66 PolarHBondContact O-N 3.45Å; F63-F67 AromaticContact CD1-CD2 3.72Å; F63-F67 HydrophobicContact CD1-CD2 3.72Å; F63-F67 AromaticContact CD1-CE2 3.98Å; F63-F67 HydrophobicContact CD1-CE2 3.98Å; F63-F67 HydrophobicContact CD2-CE2 4.33Å; F63-F67 AromaticContact CE1-CD2 3.41Å; F63-F67 HydrophobicContact CE1-CD2 3.41Å; F63-F67 VanDerWaalsContact CE1-CD2 3.41Å; F63-F67 AromaticContact CE1-CE2 3.37Å; F63-F67 HydrophobicContact CE1-CE2 3.37Å; F63-F67 HydrophobicContact CE2-CD2 4.48Å; F63-F67 AromaticContact CE2-CE2 3.77Å; F63-F67 HydrophobicContact CE2-CE2 3.77Å; F63-F67 HydrophobicContact CG-CD2 4.4Å; F63-F67 HydrophobicContact CG-CE2 4.43Å; F63-F67 AromaticContact CZ-CD2 3.84Å; F63-F67 HydrophobicContact CZ-CD2 3.84Å; F63-F67 AromaticContact CZ-CE2 3.26Å; F63-F67 HydrophobicContact CZ-CE2 3.26Å; F63-F67 HydrophobicContact CZ-CZ 4.24Å; F63-F67 WeakPolarHBondContact O-CD2 3.42Å; F63-F67 PolarHBondContact O-N 3.02Å; F63-V74 HydrophobicContact CD1-CG1 4.09Å; F63-V74 HydrophobicContact CD1-CG2 4.18Å; F63-V74 HydrophobicContact CE1-CG1 3.87Å; F63-V74 HydrophobicContact CE1-CG2 4.05Å; F63-W76 HydrophobicContact CB-CH2 4.3Å; F63-W76 HydrophobicContact CB-CZ2 3.96Å; F63-W76 AromaticContact CD1-CH2 3.93Å; F63-W76 HydrophobicContact CD1-CH2 3.93Å; F63-W76 AromaticContact CD1-CZ2 3.48Å; F63-W76 HydrophobicContact CD1-CZ2 3.48Å; F63-W76 VanDerWaalsContact CD1-CZ2 3.48Å; F63-W76 HydrophobicContact CE1-CH2 4.41Å; F63-W76 HydrophobicContact CE1-CZ2 4.18Å; F63-W76 HydrophobicContact CG-CH2 4.05Å; F63-W76 AromaticContact CG-CZ2 3.88Å; F63-W76 HydrophobicContact CG-CZ2 3.88Å; F63-V95 HydrophobicContact CE1-CG2 3.84Å; F63-V95 HydrophobicContact CZ-CG2 4.04Å; F63-A109 HydrophobicContact CD2-CB 3.56Å; F63-A109 HydrophobicContact CE2-CB 3.77Å; F63-A109 HydrophobicContact CG-CB 4.12Å; F63-A109 HydrophobicContact CZ-CB 4.5Å; F63-L110 HydrophobicContact CE2-CD2 4.25Å; F63-L113 HydrophobicContact CB-CD1 4.37Å; F63-L113 HydrophobicContact CD2-CB 4Å; F63-L113 HydrophobicContact CD2-CD2 3.86Å; F63-L113 HydrophobicContact CD2-CG 4.41Å; F63-L113 HydrophobicContact CE2-CD2 4.18Å
64T98.7Very high98.4Very high40 Ų4025.3 Ų25.325%0.24516%0.155CC..Hα-helixtrans-64.2-39.6177.9-54.40000111.5S60 F62 F67 T68 V74 W76S60-T64 VanDerWaalsContact O-CB 3.27Å; S60-T64 WeakPolarHBondContact O-CB 3.2Å; S60-T64 PolarHBondContact O-N 2.89Å; S60-T64 PolarHBondContact O-OG1 3.35Å; F62-T64 VanDerWaalsContact C-N 3.33Å; F62-T64 PolarHBondContact O-N 2.87Å; T64-F67 PolarHBondContact O-N 3.41Å; T64-T68 WeakPolarHBondContact O-CB 3.14Å; T64-T68 PolarHBondContact O-N 2.95Å; T64-T68 PolarHBondContact O-OG1 3.44Å; T64-V74 HydrophobicContact CG2-CB 4.44Å; T64-V74 HydrophobicContact CG2-CG2 4.5Å; T64-W76 PolarHBondContact OG1-NE1 3.38Å
65A98.6Very high98.5Very high11 Ų1123.9 Ų23.99%0.09115%0.152CC..Hα-helixtrans-62.9-42.5177.100000112.4L17 A21 P61 F62 F63 F67 T68 E69L17-A65 HydrophobicContact CB-CB 3.89Å; A21-A65 HydrophobicContact CB-CB 4.07Å; P61-A65 WeakPolarHBondContact O-CB 3.23Å; P61-A65 PolarHBondContact O-N 3.41Å; F62-A65 PolarHBondContact O-N 3.45Å; F63-A65 VanDerWaalsContact C-N 3.35Å; F63-A65 PolarHBondContact O-N 3.5Å; A65-F67 PolarHBondContact O-N 3.38Å; A65-T68 PolarHBondContact O-N 3.08Å; A65-E69 WeakPolarHBondContact O-CG 3.43Å; A65-E69 PolarHBondContact O-N 2.97Å
66V98.8Very high98.5Very high0 Ų026.6 Ų26.60%016%0.162CC..Hα-helixtrans-57.7-50174.6172.70000111A21 W24 L25 F62 F63 T68 E69 V70 P108 A109A21-V66 HydrophobicContact CB-CG2 3.97Å; W24-V66 HydrophobicContact CE3-CG2 3.92Å; W24-V66 HydrophobicContact CZ3-CG2 4.3Å; L25-V66 HydrophobicContact CD2-CG1 4.17Å; L25-V66 HydrophobicContact CG-CG1 4.4Å; F62-V66 WeakPolarHBondContact O-CG2 3.33Å; F62-V66 PolarHBondContact O-N 3.33Å; F63-V66 PolarHBondContact O-N 3.45Å; V66-T68 VanDerWaalsContact C-N 3.34Å; V66-T68 PolarHBondContact O-N 3.39Å; V66-E69 PolarHBondContact O-N 2.96Å; V66-V70 PolarHBondContact O-N 2.93Å; V66-P108 HydrophobicContact CG1-CB 4.35Å; V66-A109 HydrophobicContact CB-CB 4.07Å; V66-A109 HydrophobicContact CG1-CB 3.92Å
67F98.8Very high98.4Very high0 Ų030.2 Ų30.20%018%0.18CC..Hα-helixtrans-67.2-34.2179.7-80.7-65.9000113.2F63 T64 A65 E69 V70 G71 C72 V74 V95 L102 A109 L288F63-F67 AromaticContact CD1-CD2 3.72Å; F63-F67 HydrophobicContact CD1-CD2 3.72Å; F63-F67 AromaticContact CD1-CE2 3.98Å; F63-F67 HydrophobicContact CD1-CE2 3.98Å; F63-F67 HydrophobicContact CD2-CE2 4.33Å; F63-F67 AromaticContact CE1-CD2 3.41Å; F63-F67 HydrophobicContact CE1-CD2 3.41Å; F63-F67 VanDerWaalsContact CE1-CD2 3.41Å; F63-F67 AromaticContact CE1-CE2 3.37Å; F63-F67 HydrophobicContact CE1-CE2 3.37Å; F63-F67 HydrophobicContact CE2-CD2 4.48Å; F63-F67 AromaticContact CE2-CE2 3.77Å; F63-F67 HydrophobicContact CE2-CE2 3.77Å; F63-F67 HydrophobicContact CG-CD2 4.4Å; F63-F67 HydrophobicContact CG-CE2 4.43Å; F63-F67 AromaticContact CZ-CD2 3.84Å; F63-F67 HydrophobicContact CZ-CD2 3.84Å; F63-F67 AromaticContact CZ-CE2 3.26Å; F63-F67 HydrophobicContact CZ-CE2 3.26Å; F63-F67 HydrophobicContact CZ-CZ 4.24Å; F63-F67 WeakPolarHBondContact O-CD2 3.42Å; F63-F67 PolarHBondContact O-N 3.02Å; T64-F67 PolarHBondContact O-N 3.41Å; A65-F67 PolarHBondContact O-N 3.38Å; F67-E69 PolarHBondContact O-N 3.19Å; F67-V70 HydrophobicContact CD1-CG2 4.19Å; F67-V70 VanDerWaalsContact O-CG2 3.28Å; F67-V70 WeakPolarHBondContact O-CG2 3.42Å; F67-V70 PolarHBondContact O-N 3.07Å; F67-G71 PolarHBondContact O-N 3.22Å; F67-C72 CarbonylContact C-O 3.44Å; F67-C72 HydrophobicContact CB-CB 3.97Å; F67-C72 HydrophobicContact CD1-CB 3.78Å; F67-C72 HydrophobicContact CG-CB 4.31Å; F67-C72 WeakPolarHBondContact O-CA 3.49Å; F67-C72 WeakPolarHBondContact O-CB 3.32Å; F67-C72 PolarHBondContact O-N 3.36Å; F67-V74 HydrophobicContact CB-CG2 3.61Å; F67-V74 HydrophobicContact CD2-CG2 3.92Å; F67-V74 HydrophobicContact CG-CG2 3.99Å; F67-V95 HydrophobicContact CD1-CG1 3.5Å; F67-V95 HydrophobicContact CD2-CG1 4.28Å; F67-V95 HydrophobicContact CD2-CG2 4.28Å; F67-V95 HydrophobicContact CE1-CG1 3.67Å; F67-V95 HydrophobicContact CE2-CG1 4.44Å; F67-V95 HydrophobicContact CE2-CG2 4.15Å; F67-V95 HydrophobicContact CG-CG1 3.83Å; F67-V95 HydrophobicContact CZ-CG1 4.15Å; F67-V95 HydrophobicContact CZ-CG2 4.34Å; F67-L102 HydrophobicContact CE1-CG 4.29Å; F67-L102 WeakPolarHBondContact CE1-O 3.35Å; F67-A109 HydrophobicContact CD2-CB 4.08Å; F67-A109 HydrophobicContact CE2-CB 3.47Å; F67-A109 VanDerWaalsContact CE2-CB 3.47Å; F67-A109 HydrophobicContact CZ-CB 4.14Å; F67-L288 HydrophobicContact CE1-CD2 4.29Å; F67-L288 HydrophobicContact CE2-CD2 4.47Å; F67-L288 HydrophobicContact CZ-CD2 3.62Å
68T98.6Very high98.3Very high82 Ų8233.6 Ų33.650%0.50319%0.193SC..Hα-helixtrans-62.2-43.7175-57.30000111.2T64 A65 V66 V70 G71T64-T68 WeakPolarHBondContact O-CB 3.14Å; T64-T68 PolarHBondContact O-N 2.95Å; T64-T68 PolarHBondContact O-OG1 3.44Å; A65-T68 PolarHBondContact O-N 3.08Å; V66-T68 VanDerWaalsContact C-N 3.34Å; V66-T68 PolarHBondContact O-N 3.39Å; T68-V70 VanDerWaalsContact C-N 3.27Å; T68-V70 PolarHBondContact O-N 3.01Å; T68-G71 PolarHBondContact O-N 3.05Å; T68-G71 VanDerWaalsContact O-N 3.08Å
69E98.5Very high98.1Very high60 Ų6040.7 Ų40.728%0.2823%0.226SC..Hα-helixtrans-65.6-27.9-179.2-71.4-58.9130.700113.4T18 A21 R22 L25 A65 V66 F67T18-E69 VanDerWaalsContact CG2-OE1 3.26Å; T18-E69 WeakPolarHBondContact CG2-OE1 3.43Å; A21-E69 HydrophobicContact CB-CG 3.95Å; R22-E69 HydrophobicContact CG-CG 4.23Å; R22-E69 IonicContact CZ-OE2 2.76Å; R22-E69 VanDerWaalsContact CZ-OE2 3.28Å; R22-E69 IonicContact NE-OE2 3.28Å; R22-E69 PolarHBondContact NE-OE2 2.86Å; R22-E69 IonicContact NH2-OE1 3.77Å; R22-E69 IonicContact NH2-OE2 2.94Å; R22-E69 PolarHBondContact NH2-OE2 3.22Å; L25-E69 HydrophobicContact CD1-CB 3.78Å; A65-E69 WeakPolarHBondContact O-CG 3.43Å; A65-E69 PolarHBondContact O-N 2.97Å; V66-E69 PolarHBondContact O-N 2.96Å; F67-E69 PolarHBondContact O-N 3.19Å
70V97.9Very high97.9Very high17 Ų1742.9 Ų42.910%0.10324%0.236CC..THydrogen-bonded Turntrans-91.43.1175.4-59.40000113.2L25 V66 F67 T68 C72 C101 L104L25-V70 HydrophobicContact CD1-CG1 3.78Å; L25-V70 HydrophobicContact CD2-CG1 3.69Å; L25-V70 HydrophobicContact CG-CG1 4.42Å; V66-V70 PolarHBondContact O-N 2.93Å; F67-V70 HydrophobicContact CD1-CG2 4.19Å; F67-V70 VanDerWaalsContact O-CG2 3.28Å; F67-V70 WeakPolarHBondContact O-CG2 3.42Å; F67-V70 PolarHBondContact O-N 3.07Å; T68-V70 VanDerWaalsContact C-N 3.27Å; T68-V70 PolarHBondContact O-N 3.01Å; V70-C72 HydrophobicContact CG2-CB 4.4Å; V70-C101 HydrophobicContact CB-CB 4.22Å; V70-C101 HydrophobicContact CG2-CB 4.41Å; V70-C101 WeakPolarHBondContact CG2-O 3.31Å; V70-C101 WeakPolarHBondContact O-CB 3.44Å; V70-C101 PolarHBondContact O-SG 3.07Å; V70-L104 HydrophobicContact CG1-CD2 3.92Å; V70-L104 HydrophobicContact CG1-CG 4.34Å
71G97.9Very high97.9Very high56 Ų5643.3 Ų43.358%0.57724%0.243SC*.THydrogen-bonded Turntrans81.730.2177.500000114.5F67 T68F67-G71 PolarHBondContact O-N 3.22Å; T68-G71 PolarHBondContact O-N 3.05Å; T68-G71 VanDerWaalsContact O-N 3.08Å
72C98.6Very high97.8Very high5 Ų544 Ų443%0.03425%0.25CS..  trans-111.1160.5174.4-630000111.6F67 V70 V95 R96F67-C72 CarbonylContact C-O 3.44Å; F67-C72 HydrophobicContact CB-CB 3.97Å; F67-C72 HydrophobicContact CD1-CB 3.78Å; F67-C72 HydrophobicContact CG-CB 4.31Å; F67-C72 WeakPolarHBondContact O-CA 3.49Å; F67-C72 WeakPolarHBondContact O-CB 3.32Å; F67-C72 PolarHBondContact O-N 3.36Å; V70-C72 HydrophobicContact CG2-CB 4.4Å; C72-V95 HydrophobicContact CB-CG1 4.12Å; C72-R96 CarbonylContact C-O 3.56Å; C72-R96 WeakPolarHBondContact CA-O 2.97Å; C72-R96 VanDerWaalsContact CB-O 3.25Å; C72-R96 WeakPolarHBondContact CB-O 3.2Å
73T98.6Very high97.7Very high84 Ų8447.9 Ų47.952%0.51527%0.274SS..EExtended strand (participates in β ladder)trans-112.8148.8174.860.20000111.2V95 R96T73-V95 WeakPolarHBondContact O-CA 3.48Å; T73-R96 PolarHBondContact N-O 3.47Å; T73-R96 PolarHBondContact O-N 3.26Å
74V98.7Very high97.6Very high22 Ų2248 Ų4813%0.13327%0.274CS..EExtended strand (participates in β ladder)trans-124.1121.1178.6-171.90000110.3F63 T64 F67 W76 A93 V94 V95F63-V74 HydrophobicContact CD1-CG1 4.09Å; F63-V74 HydrophobicContact CD1-CG2 4.18Å; F63-V74 HydrophobicContact CE1-CG1 3.87Å; F63-V74 HydrophobicContact CE1-CG2 4.05Å; T64-V74 HydrophobicContact CG2-CB 4.44Å; T64-V74 HydrophobicContact CG2-CG2 4.5Å; F67-V74 HydrophobicContact CB-CG2 3.61Å; F67-V74 HydrophobicContact CD2-CG2 3.92Å; F67-V74 HydrophobicContact CG-CG2 3.99Å; V74-W76 HydrophobicContact CG1-CD2 4.31Å; V74-W76 HydrophobicContact CG1-CG 4.42Å; V74-W76 HydrophobicContact CG1-CZ2 4.09Å; V74-A93 HydrophobicContact CG1-CB 4.06Å; V74-V94 WeakPolarHBondContact CA-O 3.41Å; V74-V95 HydrophobicContact CG1-CG2 4.37Å; V74-V95 HydrophobicContact CG2-CG2 4.23Å
75D98.4Very high96.9Very high89 Ų8947.1 Ų47.148%0.47627%0.273SS..EExtended strand (participates in β ladder)trans-104.4108172.9-67.5-31.7000109.9A93 V94 R96D75-A93 CarbonylContact O-C 3.52Å; D75-A93 WeakPolarHBondContact O-CA 3.4Å; D75-A93 WeakPolarHBondContact O-CB 3.48Å; D75-V94 PolarHBondContact N-O 3.1Å; D75-V94 PolarHBondContact O-N 3.16Å; D75-R96 IonicContact OD2-CZ 2.77Å; D75-R96 IonicContact OD2-NH1 2.6Å; D75-R96 PolarHBondContact OD2-NH1 2.87Å
76W98.1Very high96.5Very high58 Ų5851.2 Ų51.222%0.2230%0.299CS..EExtended strand (participates in β ladder)trans-81.9134.4179.7-69.795.2000112.1L48 L57 S60 F63 T64 V74 A93 L113L48-W76 HydrophobicContact CD2-CH2 3.84Å; L48-W76 HydrophobicContact CD2-CZ3 3.78Å; L57-W76 HydrophobicContact CD1-CH2 4.37Å; L57-W76 HydrophobicContact CD1-CZ3 3.8Å; L57-W76 HydrophobicContact CD2-CE3 3.88Å; L57-W76 HydrophobicContact CD2-CZ3 3.91Å; L57-W76 HydrophobicContact CG-CZ3 4.44Å; S60-W76 VanDerWaalsContact CA-CZ2 3.48Å; S60-W76 VanDerWaalsContact CB-CE2 3.42Å; F63-W76 HydrophobicContact CB-CH2 4.3Å; F63-W76 HydrophobicContact CB-CZ2 3.96Å; F63-W76 AromaticContact CD1-CH2 3.93Å; F63-W76 HydrophobicContact CD1-CH2 3.93Å; F63-W76 AromaticContact CD1-CZ2 3.48Å; F63-W76 HydrophobicContact CD1-CZ2 3.48Å; F63-W76 VanDerWaalsContact CD1-CZ2 3.48Å; F63-W76 HydrophobicContact CE1-CH2 4.41Å; F63-W76 HydrophobicContact CE1-CZ2 4.18Å; F63-W76 HydrophobicContact CG-CH2 4.05Å; F63-W76 AromaticContact CG-CZ2 3.88Å; F63-W76 HydrophobicContact CG-CZ2 3.88Å; T64-W76 PolarHBondContact OG1-NE1 3.38Å; V74-W76 HydrophobicContact CG1-CD2 4.31Å; V74-W76 HydrophobicContact CG1-CG 4.42Å; V74-W76 HydrophobicContact CG1-CZ2 4.09Å; W76-A93 HydrophobicContact CD2-CB 3.94Å; W76-A93 HydrophobicContact CE3-CB 3.67Å; W76-A93 HydrophobicContact CG-CB 4.47Å; W76-A93 HydrophobicContact CZ3-CB 3.96Å; W76-L113 HydrophobicContact CH2-CD1 4.06Å; W76-L113 HydrophobicContact CH2-CD2 4.1Å
77M97.5Very high96.2Very high82 Ų8256.2 Ų56.240%0.40433%0.326SS..SBendtrans-91.1-19.2171.7-58.5-179.4-176.700112.2V91 T92 V94M77-V91 HydrophobicContact CE-CG1 3.64Å; M77-V91 HydrophobicContact SD-CB 4.12Å; M77-V91 HydrophobicContact SD-CG1 3.76Å; M77-T92 WeakPolarHBondContact CB-O 3.39Å; M77-T92 PolarHBondContact N-O 3.19Å; M77-V94 HydrophobicContact CE-CG2 3.55Å
78Y95.7Very high95.9Very high70 Ų7059.7 Ų59.728%0.27536%0.355SS..SBendtrans-122.6142.4179.8-70.6-99.3000109.9A82 I84 T90 V91 T92Y78-A82 HydrophobicContact CD1-CB 4.07Å; Y78-I84 HydrophobicContact CD1-CG1 4.34Å; Y78-I84 HydrophobicContact CG-CG1 4.41Å; Y78-T90 HydrophobicContact CE2-CG2 3.96Å; Y78-T90 WeakPolarHBondContact OH-CG2 3.46Å; Y78-V91 WeakPolarHBondContact CE2-O 3.26Å; Y78-T92 HydrophobicContact CD2-CG2 4.25Å; Y78-T92 HydrophobicContact CE2-CG2 4.46Å
79Q94.3Very high95.8Very high149 Ų14959.6 Ų59.670%0.69635%0.353SS*.  trans-79.3154.5173.2-63.8-64.4-4000110.5G81 A82Q79-G81 PolarHBondContact O-N 3.48Å; Q79-A82 WeakPolarHBondContact O-CB 3.41Å; Q79-A82 PolarHBondContact O-N 3.31Å
80E95.3Very high95.7Very high47 Ų4757.3 Ų57.322%0.2234%0.344CS..THydrogen-bonded Turntrans-56.4135.5174.6-163.280.1-52.600111.1A58 G59 S60 P61 A82 Y155 V159A58-E80 WeakPolarHBondContact CA-OE1 3.44Å; G59-E80 PolarHBondContact N-OE1 3.39Å; G59-E80 PolarHBondContact N-OE2 3.03Å; S60-E80 WeakPolarHBondContact CB-OE1 3.49Å; S60-E80 PolarHBondContact N-OE1 3.23Å; S60-E80 PolarHBondContact N-OE2 3.37Å; S60-E80 PolarHBondContact OG-OE1 3.21Å; S60-E80 PolarHBondContact OG-OE2 2.96Å; S60-E80 VanDerWaalsContact OG-OE2 3.1Å; P61-E80 WeakPolarHBondContact CD-OE2 3.26Å; E80-A82 VanDerWaalsContact C-N 3.28Å; E80-A82 PolarHBondContact O-N 3.17Å; E80-Y155 HydrophobicContact CG-CE1 4.47Å; E80-Y155 VanDerWaalsContact OE2-CE1 3.27Å; E80-Y155 WeakPolarHBondContact OE2-CE1 3.1Å; E80-Y155 PolarHBondContact OE2-OH 3.28Å; E80-V159 HydrophobicContact CG-CG1 4.03Å; E80-V159 HydrophobicContact CG-CG2 3.93Å
81G96.3Very high95.7Very high23 Ų2358.2 Ų58.224%0.23735%0.349CS..THydrogen-bonded Turntrans79.42.4-175.200000114.8L57 Q79 V159L57-G81 WeakPolarHBondContact O-CA 3.27Å; L57-G81 PolarHBondContact O-N 2.6Å; Q79-G81 PolarHBondContact O-N 3.48Å; G81-V159 VanDerWaalsContact CA-CG1 3.48Å
82A96.4Very high95.7Very high29 Ų2955.5 Ų55.524%0.2432%0.322CS..PPolyproline II helixtrans-70.9146.3171.200000111.2L57 Y78 Q79 E80L57-A82 PolarHBondContact N-O 3.02Å; Y78-A82 HydrophobicContact CD1-CB 4.07Å; Q79-A82 WeakPolarHBondContact O-CB 3.41Å; Q79-A82 PolarHBondContact O-N 3.31Å; E80-A82 VanDerWaalsContact C-N 3.28Å; E80-A82 PolarHBondContact O-N 3.17Å
83V97.6Very high95.7Very high82 Ų8255.3 Ų55.350%0.49732%0.32SS..EExtended strand (participates in β ladder)trans-85125.6171.3-1770000108.6H54 T55 V56H54-V83 HydrophobicContact CB-CG1 4.35Å; T55-V83 CarbonylContact O-C 3.58Å; T55-V83 WeakPolarHBondContact O-CA 3.3Å; V56-V83 HydrophobicContact CG2-CG2 4.31Å
84I96Very high95.7Very high1 Ų151.7 Ų51.71%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-95.7138.3178.6-59.2159.3000109.5C50 H54 T55 L57 Y78 T90 T92 F286C50-I84 HydrophobicContact CB-CD1 4.2Å; C50-I84 HydrophobicContact CB-CG2 3.71Å; H54-I84 WeakPolarHBondContact CA-O 3.11Å; H54-I84 PolarHBondContact N-O 3.08Å; T55-I84 HydrophobicContact CG2-CD1 4.3Å; T55-I84 PolarHBondContact N-O 3.14Å; T55-I84 PolarHBondContact O-N 3.33Å; L57-I84 HydrophobicContact CB-CD1 3.76Å; L57-I84 HydrophobicContact CB-CG1 4.3Å; L57-I84 HydrophobicContact CD1-CD1 4.1Å; L57-I84 HydrophobicContact CG-CD1 4.38Å; Y78-I84 HydrophobicContact CD1-CG1 4.34Å; Y78-I84 HydrophobicContact CG-CG1 4.41Å; I84-T90 HydrophobicContact CG2-CG2 3.82Å; I84-T92 HydrophobicContact CD1-CG2 3.59Å; I84-T92 HydrophobicContact CG1-CG2 3.98Å; I84-T92 HydrophobicContact CG2-CG2 3.76Å; I84-F286 HydrophobicContact CD1-CE1 4.24Å; I84-F286 HydrophobicContact CD1-CZ 4.13Å
85G84.9Confident95.7Very high23 Ų2350.7 Ų50.724%0.23729%0.292CS..  trans120.2-170.6-175.700000111.7
86P88.8Confident95.7Very high96 Ų9650.4 Ų50.462%0.62328%0.284SS*.SBendcis-82.9-1.514.234.5-37.7000115.1
87D93.4Very high95.7Very high106 Ų10647.9 Ų47.957%0.56728%0.276SS*.SBendtrans-60.7149.5-176.4-58.1-39.3000112.7V89D87-V89 PolarHBondContact O-N 2.91Å
88A92Very high95.7Very high73 Ų7345 Ų4560%0.60326%0.263SS*.SBendtrans-61.5-29.717900000112.9K51K51-A88 CarbonylContact C-O 3.38Å; K51-A88 WeakPolarHBondContact CA-O 3.2Å
89V96.6Very high95.7Very high79 Ų7942.1 Ų42.148%0.47925%0.254SS..SBendtrans-140.3123.4175.2-1750000108.9L49 C50 K51 D87L49-V89 HydrophobicContact CB-CG1 3.96Å; L49-V89 HydrophobicContact CD1-CG1 4.19Å; L49-V89 HydrophobicContact CD2-CG1 4.45Å; L49-V89 HydrophobicContact CG-CG1 4.43Å; C50-V89 CarbonylContact O-C 3.47Å; C50-V89 WeakPolarHBondContact O-CA 3.47Å; K51-V89 HydrophobicContact CG-CG1 4.37Å; K51-V89 HydrophobicContact CG-CG2 4.24Å; D87-V89 PolarHBondContact O-N 2.91Å
90T97.5Very high95.9Very high12 Ų1240.9 Ų40.97%0.07424%0.243CC..EExtended strand (participates in β ladder)trans-124133.2179.8-52.90000110.4L49 C50 Y78 I84L49-T90 CarbonylContact C-O 3.49Å; L49-T90 WeakPolarHBondContact CA-O 3.45Å; C50-T90 PolarHBondContact N-O 2.99Å; C50-T90 PolarHBondContact O-N 3.08Å; Y78-T90 HydrophobicContact CE2-CG2 3.96Å; Y78-T90 WeakPolarHBondContact OH-CG2 3.46Å; I84-T90 HydrophobicContact CG2-CG2 3.82Å
91V97.5Very high96Very high36 Ų3639.6 Ų39.622%0.21824%0.239CC..EExtended strand (participates in β ladder)trans-75.5126.7171-172.70000108.5K47 L48 L49 M77 Y78K47-V91 HydrophobicContact CB-CG1 4.14Å; K47-V91 HydrophobicContact CD-CG1 4.36Å; K47-V91 HydrophobicContact CD-CG2 4.47Å; K47-V91 HydrophobicContact CG-CG1 4.27Å; L48-V91 WeakPolarHBondContact O-CA 3.36Å; L49-V91 HydrophobicContact CD2-CB 4.33Å; L49-V91 HydrophobicContact CD2-CG2 3.7Å; M77-V91 HydrophobicContact CE-CG1 3.64Å; M77-V91 HydrophobicContact SD-CB 4.12Å; M77-V91 HydrophobicContact SD-CG1 3.76Å; Y78-V91 WeakPolarHBondContact CE2-O 3.26Å
92T97.8Very high96Very high0 Ų038.5 Ų38.50%023%0.228CC..EExtended strand (participates in β ladder)trans-116.9-28.2-171.351.40000113.8L48 C50 M77 Y78 I84 F286L48-T92 WeakPolarHBondContact CD2-OG1 3.44Å; L48-T92 VanDerWaalsContact CG-OG1 3.27Å; L48-T92 WeakPolarHBondContact CG-OG1 3.47Å; L48-T92 PolarHBondContact O-N 2.92Å; L48-T92 PolarHBondContact O-OG1 3Å; L48-T92 VanDerWaalsContact O-OG1 3.07Å; C50-T92 HydrophobicContact CB-CG2 3.71Å; M77-T92 WeakPolarHBondContact CB-O 3.39Å; M77-T92 PolarHBondContact N-O 3.19Å; Y78-T92 HydrophobicContact CD2-CG2 4.25Å; Y78-T92 HydrophobicContact CE2-CG2 4.46Å; I84-T92 HydrophobicContact CD1-CG2 3.59Å; I84-T92 HydrophobicContact CG1-CG2 3.98Å; I84-T92 HydrophobicContact CG2-CG2 3.76Å; T92-F286 HydrophobicContact CG2-CE1 4.46Å
93A98.4Very high96.1Very high0 Ų040.3 Ų40.30%023%0.233CC..EExtended strand (participates in β ladder)trans-155.6165.1174.500000110.7L48 V74 D75 W76L48-A93 HydrophobicContact CB-CB 4.03Å; L48-A93 HydrophobicContact CD2-CB 3.95Å; L48-A93 PolarHBondContact N-O 2.89Å; V74-A93 HydrophobicContact CG1-CB 4.06Å; D75-A93 CarbonylContact O-C 3.52Å; D75-A93 WeakPolarHBondContact O-CA 3.4Å; D75-A93 WeakPolarHBondContact O-CB 3.48Å; W76-A93 HydrophobicContact CD2-CB 3.94Å; W76-A93 HydrophobicContact CE3-CB 3.67Å; W76-A93 HydrophobicContact CG-CB 4.47Å; W76-A93 HydrophobicContact CZ3-CB 3.96Å
94V98.6Very high96.1Very high9 Ų938.7 Ų38.76%0.05522%0.221CC..EExtended strand (participates in β ladder)trans-121131.1169.8178.40000109E45 A46 K47 V74 D75 M77 R96E45-V94 VanDerWaalsContact CD-CG1 3.45Å; E45-V94 HydrophobicContact CG-CG1 3.24Å; A46-V94 WeakPolarHBondContact O-CA 3.22Å; K47-V94 HydrophobicContact CG-CG2 4.43Å; V74-V94 WeakPolarHBondContact CA-O 3.41Å; D75-V94 PolarHBondContact N-O 3.1Å; D75-V94 PolarHBondContact O-N 3.16Å; M77-V94 HydrophobicContact CE-CG2 3.55Å; V94-R96 HydrophobicContact CG1-CG 4.23Å; V94-R96 VanDerWaalsContact CG1-CZ 3.45Å
95V98.7Very high96.2Very high0 Ų038.7 Ų38.70%022%0.221CC..EExtended strand (participates in β ladder)trans-108.7135.2175.9-174.90000109E45 A46 F63 F67 C72 T73 V74 L102 L288E45-V95 WeakPolarHBondContact CA-O 3.48Å; A46-V95 PolarHBondContact N-O 2.93Å; A46-V95 PolarHBondContact O-N 2.75Å; F63-V95 HydrophobicContact CE1-CG2 3.84Å; F63-V95 HydrophobicContact CZ-CG2 4.04Å; F67-V95 HydrophobicContact CD1-CG1 3.5Å; F67-V95 HydrophobicContact CD2-CG1 4.28Å; F67-V95 HydrophobicContact CD2-CG2 4.28Å; F67-V95 HydrophobicContact CE1-CG1 3.67Å; F67-V95 HydrophobicContact CE2-CG1 4.44Å; F67-V95 HydrophobicContact CE2-CG2 4.15Å; F67-V95 HydrophobicContact CG-CG1 3.83Å; F67-V95 HydrophobicContact CZ-CG1 4.15Å; F67-V95 HydrophobicContact CZ-CG2 4.34Å; C72-V95 HydrophobicContact CB-CG1 4.12Å; T73-V95 WeakPolarHBondContact O-CA 3.48Å; V74-V95 HydrophobicContact CG1-CG2 4.37Å; V74-V95 HydrophobicContact CG2-CG2 4.23Å; V95-L102 HydrophobicContact CB-CD1 4.14Å; V95-L102 HydrophobicContact CG1-CD1 3.9Å; V95-L102 HydrophobicContact CG1-CG 4.05Å; V95-L288 HydrophobicContact CB-CD1 4.43Å; V95-L288 HydrophobicContact CG2-CD1 3.93Å
96R98.6Very high96.8Very high84 Ų8439.6 Ų39.632%0.31722%0.219SC..EExtended strand (participates in β ladder)trans-130.7145.3177.7-62.8-173.8-17482.7-3.2111.6V44 E45 C72 T73 D75 V94V44-R96 WeakPolarHBondContact O-CA 3.49Å; E45-R96 HydrophobicContact CB-CG 4.34Å; E45-R96 HydrophobicContact CG-CG 4.09Å; E45-R96 IonicContact OE2-CZ 3.76Å; E45-R96 IonicContact OE2-NE 2.82Å; E45-R96 PolarHBondContact OE2-NE 3.29Å; E45-R96 IonicContact OE2-NH2 3.14Å; E45-R96 PolarHBondContact OE2-NH2 2.89Å; C72-R96 CarbonylContact C-O 3.56Å; C72-R96 WeakPolarHBondContact CA-O 2.97Å; C72-R96 VanDerWaalsContact CB-O 3.25Å; C72-R96 WeakPolarHBondContact CB-O 3.2Å; T73-R96 PolarHBondContact N-O 3.47Å; T73-R96 PolarHBondContact O-N 3.26Å; D75-R96 IonicContact OD2-CZ 2.77Å; D75-R96 IonicContact OD2-NH1 2.6Å; D75-R96 PolarHBondContact OD2-NH1 2.87Å; V94-R96 HydrophobicContact CG1-CG 4.23Å; V94-R96 VanDerWaalsContact CG1-CZ 3.45Å
97G97.8Very high97.3Very high4 Ų441 Ų414%0.04121%0.212CC..EExtended strand (participates in β ladder)trans155.7-174.1176.400000112E43 V44 A99E43-G97 WeakPolarHBondContact OE2-CA 3.41Å; V44-G97 WeakPolarHBondContact CG2-O 3.21Å; V44-G97 PolarHBondContact N-O 3.43Å; V44-G97 PolarHBondContact O-N 2.94Å; G97-A99 PolarHBondContact O-N 2.92Å
98P97.5Very high97.5Very high22 Ų2236.4 Ų36.414%0.14319%0.188CC..EExtended strand (participates in β ladder)trans-59.1135.5177-23.833.5000111.6E43 R100 C101 L102E43-P98 WeakPolarHBondContact OE1-CD 3.25Å; P98-R100 PolarHBondContact O-N 3.42Å; P98-C101 HydrophobicContact CB-CB 4.2Å; P98-C101 WeakPolarHBondContact O-CA 3.39Å; P98-C101 WeakPolarHBondContact O-CB 3.43Å; P98-C101 PolarHBondContact O-N 3.4Å; P98-L102 PolarHBondContact O-N 3.41Å
99A96.6Very high97.9Very high9 Ų933 Ų337%0.07416%0.159CC..Hα-helixtrans-51.7-47.4-174.900000114.1V39 E42 V44 G97 C101 L102 L103V39-A99 HydrophobicContact CB-CB 4.03Å; V39-A99 HydrophobicContact CG2-CB 4.14Å; E42-A99 PolarHBondContact O-N 3.03Å; V44-A99 HydrophobicContact CG1-CB 3.97Å; V44-A99 HydrophobicContact CG2-CB 3.84Å; G97-A99 PolarHBondContact O-N 2.92Å; A99-C101 VanDerWaalsContact C-N 3.29Å; A99-C101 PolarHBondContact O-N 2.91Å; A99-L102 PolarHBondContact O-N 3.42Å; A99-L103 WeakPolarHBondContact O-CG 3.35Å; A99-L103 PolarHBondContact O-N 3.49Å
100R96.8Very high98Very high123 Ų12329.4 Ų29.446%0.46414%0.138SC..Hα-helixtrans-58.1-39.2175.469-179.5-175.3-142.3-12.8112.9V39 G40 S41 P98 L104V39-R100 HydrophobicContact CG2-CB 4.01Å; G40-R100 VanDerWaalsContact O-CB 3.31Å; G40-R100 WeakPolarHBondContact O-CB 3.49Å; G40-R100 WeakPolarHBondContact O-CG 3.27Å; G40-R100 PolarHBondContact O-N 3.03Å; G40-R100 VanDerWaalsContact O-N 3.08Å; S41-R100 PolarHBondContact OG-NE 2.85Å; S41-R100 PolarHBondContact OG-NH1 3.08Å; S41-R100 PolarHBondContact OG-NH2 3.42Å; P98-R100 PolarHBondContact O-N 3.42Å; R100-L104 WeakPolarHBondContact O-CB 3.33Å; R100-L104 PolarHBondContact O-N 2.83Å
101C97.6Very high98Very high21 Ų2131.8 Ų31.814%0.14215%0.15CC..Hα-helixtrans-73-41.9-177.3-67.70000111V70 P98 A99 L104 G105V70-C101 HydrophobicContact CB-CB 4.22Å; V70-C101 HydrophobicContact CG2-CB 4.41Å; V70-C101 WeakPolarHBondContact CG2-O 3.31Å; V70-C101 WeakPolarHBondContact O-CB 3.44Å; V70-C101 PolarHBondContact O-SG 3.07Å; P98-C101 HydrophobicContact CB-CB 4.2Å; P98-C101 WeakPolarHBondContact O-CA 3.39Å; P98-C101 WeakPolarHBondContact O-CB 3.43Å; P98-C101 PolarHBondContact O-N 3.4Å; A99-C101 VanDerWaalsContact C-N 3.29Å; A99-C101 PolarHBondContact O-N 2.91Å; C101-L104 PolarHBondContact O-N 2.73Å; C101-G105 PolarHBondContact O-N 2.97Å
102L97.8Very high98.1Very high0 Ų030.2 Ų30.20%014%0.14CC..Hα-helixtrans-61.3-46.4177.1-170.7155.3000110.8V44 A46 F67 V95 P98 A99 G105 E106 L288 V290V44-L102 HydrophobicContact CG2-CD1 4.05Å; A46-L102 HydrophobicContact CB-CD1 3.62Å; A46-L102 HydrophobicContact CB-CD2 3.71Å; A46-L102 HydrophobicContact CB-CG 4.27Å; F67-L102 HydrophobicContact CE1-CG 4.29Å; F67-L102 WeakPolarHBondContact CE1-O 3.35Å; V95-L102 HydrophobicContact CB-CD1 4.14Å; V95-L102 HydrophobicContact CG1-CD1 3.9Å; V95-L102 HydrophobicContact CG1-CG 4.05Å; P98-L102 PolarHBondContact O-N 3.41Å; A99-L102 PolarHBondContact O-N 3.42Å; L102-G105 PolarHBondContact O-N 3.38Å; L102-E106 PolarHBondContact O-N 3.45Å; L102-L288 HydrophobicContact CD2-CD2 3.65Å; L102-L288 HydrophobicContact CD2-CG 4.31Å; L102-L288 HydrophobicContact CG-CD2 4.39Å; L102-V290 HydrophobicContact CD2-CG2 4.13Å
103L97.5Very high98.1Very high66 Ų6630.2 Ų30.235%0.34614%0.14SC..Hα-helixtrans-71.2-33180-64.4-178.3000112.7V39 A99 G105 E106 V290V39-L103 HydrophobicContact CB-CD1 4.36Å; V39-L103 HydrophobicContact CG1-CD1 3.78Å; V39-L103 HydrophobicContact CG2-CD1 4.14Å; A99-L103 WeakPolarHBondContact O-CG 3.35Å; A99-L103 PolarHBondContact O-N 3.49Å; L103-G105 VanDerWaalsContact C-N 3.34Å; L103-E106 WeakPolarHBondContact O-CB 3.41Å; L103-E106 PolarHBondContact O-N 3.49Å; L103-V290 HydrophobicContact CD2-CG2 4.05Å
104L97.4Very high98.1Very high49 Ų4930.8 Ų30.826%0.25715%0.145SC..Hα-helixtrans-60.4-43172.4-176.770.5000111.9L25 T29 D33 V70 R100 C101L25-L104 HydrophobicContact CD2-CG 4.48Å; T29-L104 HydrophobicContact CG2-CD1 3.82Å; T29-L104 WeakPolarHBondContact OG1-CD1 3.37Å; D33-L104 HydrophobicContact CB-CD1 4.45Å; V70-L104 HydrophobicContact CG1-CD2 3.92Å; V70-L104 HydrophobicContact CG1-CG 4.34Å; R100-L104 WeakPolarHBondContact O-CB 3.33Å; R100-L104 PolarHBondContact O-N 2.83Å; C101-L104 PolarHBondContact O-N 2.73Å
105G98.2Very high98.2Very high0 Ų035.7 Ų35.70%016%0.162CC..Hα-helixtrans-77.5-15.3178.800000114.8C101 L102 L103 R107 A109C101-G105 PolarHBondContact O-N 2.97Å; L102-G105 PolarHBondContact O-N 3.38Å; L103-G105 VanDerWaalsContact C-N 3.34Å; G105-R107 PolarHBondContact O-N 3.08Å; G105-A109 WeakPolarHBondContact O-CB 3.27Å; G105-A109 PolarHBondContact O-N 2.97Å
106E98.6Very high98.2Very high42 Ų4235.7 Ų35.720%0.19616%0.162CC..Hα-helixtrans-56.9-56.7-170.2178.8-177.5154.500112.3L102 L103 A109 L110 L288L102-E106 PolarHBondContact O-N 3.45Å; L103-E106 WeakPolarHBondContact O-CB 3.41Å; L103-E106 PolarHBondContact O-N 3.49Å; E106-A109 PolarHBondContact O-N 3.31Å; E106-L110 HydrophobicContact CG-CD1 3.61Å; E106-L110 HydrophobicContact CG-CG 4.25Å; E106-L110 WeakPolarHBondContact O-CB 3.39Å; E106-L110 VanDerWaalsContact O-CG 3.25Å; E106-L110 WeakPolarHBondContact O-CG 3.38Å; E106-L110 PolarHBondContact O-N 3.06Å; E106-L288 HydrophobicContact CB-CD2 4.2Å; E106-L288 HydrophobicContact CG-CB 3.99Å; E106-L288 HydrophobicContact CG-CD2 4.08Å
107R98.5Very high98.2Very high126 Ų12631.7 Ų31.748%0.47515%0.147SC..Hα-helixtrans-69.3-47.4-169-175.561.657.2-166.4-6.3112.4D28 G105 A109 N111D28-R107 WeakPolarHBondContact OD2-CB 3.44Å; G105-R107 PolarHBondContact O-N 3.08Å; R107-A109 VanDerWaalsContact C-N 3.35Å; R107-A109 PolarHBondContact O-N 2.98Å; R107-N111 WeakPolarHBondContact O-CB 3.47Å; R107-N111 PolarHBondContact O-N 3.4Å; R107-N111 PolarHBondContact O-ND2 2.95Å
108P98.4Very high98.2Very high10 Ų1031.8 Ų31.87%0.06515%0.148CC..Hα-helixtrans-60.6-43175.9-25.636.8000112.5W24 L25 D28 V66 C112W24-P108 HydrophobicContact CB-CB 4.04Å; L25-P108 HydrophobicContact CD2-CG 4.43Å; D28-P108 HydrophobicContact CB-CG 3.93Å; D28-P108 WeakPolarHBondContact OD2-CD 3.16Å; V66-P108 HydrophobicContact CG1-CB 4.35Å; P108-C112 WeakPolarHBondContact O-CB 3.46Å; P108-C112 PolarHBondContact O-N 2.94Å
109A98.8Very high98.3Very high0 Ų031 Ų310%014%0.143CC..Hα-helixtrans-65.6-47.7-178.800000112.1F63 V66 F67 G105 E106 R107 C112 L113F63-A109 HydrophobicContact CD2-CB 3.56Å; F63-A109 HydrophobicContact CE2-CB 3.77Å; F63-A109 HydrophobicContact CG-CB 4.12Å; F63-A109 HydrophobicContact CZ-CB 4.5Å; V66-A109 HydrophobicContact CB-CB 4.07Å; V66-A109 HydrophobicContact CG1-CB 3.92Å; F67-A109 HydrophobicContact CD2-CB 4.08Å; F67-A109 HydrophobicContact CE2-CB 3.47Å; F67-A109 VanDerWaalsContact CE2-CB 3.47Å; F67-A109 HydrophobicContact CZ-CB 4.14Å; G105-A109 WeakPolarHBondContact O-CB 3.27Å; G105-A109 PolarHBondContact O-N 2.97Å; E106-A109 PolarHBondContact O-N 3.31Å; R107-A109 VanDerWaalsContact C-N 3.35Å; R107-A109 PolarHBondContact O-N 2.98Å; A109-C112 PolarHBondContact O-N 3.08Å; A109-L113 WeakPolarHBondContact O-CB 3.49Å; A109-L113 PolarHBondContact O-N 2.99Å
110L98.8Very high98.4Very high4 Ų430.6 Ų30.62%0.02114%0.139CC..Hα-helixtrans-63.4-45.1177.2-70.4179.6000111.5L48 F63 E106 C112 L113 S114 F286 L288L48-L110 HydrophobicContact CD1-CD2 3.43Å; L48-L110 VanDerWaalsContact CD1-CD2 3.43Å; F63-L110 HydrophobicContact CE2-CD2 4.25Å; E106-L110 HydrophobicContact CG-CD1 3.61Å; E106-L110 HydrophobicContact CG-CG 4.25Å; E106-L110 WeakPolarHBondContact O-CB 3.39Å; E106-L110 VanDerWaalsContact O-CG 3.25Å; E106-L110 WeakPolarHBondContact O-CG 3.38Å; E106-L110 PolarHBondContact O-N 3.06Å; L110-C112 VanDerWaalsContact C-N 3.27Å; L110-C112 PolarHBondContact O-N 3.46Å; L110-L113 PolarHBondContact O-N 3.42Å; L110-S114 WeakPolarHBondContact O-CB 3Å; L110-S114 PolarHBondContact O-N 3.44Å; L110-S114 PolarHBondContact O-OG 2.81Å; L110-F286 HydrophobicContact CD2-CB 3.83Å; L110-L288 HydrophobicContact CD1-CB 4.2Å; L110-L288 HydrophobicContact CD2-CB 4.45Å
111N98.7Very high98.5Very high62 Ų6225.6 Ų25.633%0.33212%0.122SC..Hα-helixtrans-58.6-40.2179.3-79.6-13.8000112.4R107 R115R107-N111 WeakPolarHBondContact O-CB 3.47Å; R107-N111 PolarHBondContact O-N 3.4Å; R107-N111 PolarHBondContact O-ND2 2.95Å; N111-R115 WeakPolarHBondContact O-CG 3.35Å; N111-R115 PolarHBondContact O-N 3.3Å; N111-R115 PolarHBondContact O-NH1 2.86Å
112C98.7Very high98.5Very high3 Ų326.6 Ų26.62%0.0212%0.123CC..Hα-helixtrans-68.3-53.1176.51790000111.3W24 F62 P108 A109 L110 S114 R115 A116 F149W24-C112 HydrophobicContact CH2-CB 4.38Å; W24-C112 HydrophobicContact CZ3-CB 4.15Å; F62-C112 VanDerWaalsContact CB-SG 3.51Å; P108-C112 WeakPolarHBondContact O-CB 3.46Å; P108-C112 PolarHBondContact O-N 2.94Å; A109-C112 PolarHBondContact O-N 3.08Å; L110-C112 VanDerWaalsContact C-N 3.27Å; L110-C112 PolarHBondContact O-N 3.46Å; C112-S114 PolarHBondContact O-N 3.37Å; C112-R115 PolarHBondContact O-N 2.92Å; C112-A116 WeakPolarHBondContact O-CB 3.38Å; C112-A116 PolarHBondContact O-N 2.78Å; C112-F149 HydrophobicContact CB-CE2 4.48Å; C112-F149 HydrophobicContact CB-CZ 4.33Å
113L98.9Very high98.5Very high0 Ų026.6 Ų26.60%012%0.123CC..Hα-helixtrans-61.2-43.9-176.8-171.973.8000112.2L48 L57 A58 F63 W76 A109 L110 R115 A116 S117 F286L48-L113 HydrophobicContact CD1-CD2 4.33Å; L48-L113 HydrophobicContact CD2-CD2 3.64Å; L57-L113 HydrophobicContact CD1-CD1 3.95Å; A58-L113 WeakPolarHBondContact O-CD1 3.38Å; F63-L113 HydrophobicContact CB-CD1 4.37Å; F63-L113 HydrophobicContact CD2-CB 4Å; F63-L113 HydrophobicContact CD2-CD2 3.86Å; F63-L113 HydrophobicContact CD2-CG 4.41Å; F63-L113 HydrophobicContact CE2-CD2 4.18Å; W76-L113 HydrophobicContact CH2-CD1 4.06Å; W76-L113 HydrophobicContact CH2-CD2 4.1Å; A109-L113 WeakPolarHBondContact O-CB 3.49Å; A109-L113 PolarHBondContact O-N 2.99Å; L110-L113 PolarHBondContact O-N 3.42Å; L113-R115 PolarHBondContact O-N 3.21Å; L113-A116 PolarHBondContact O-N 3.07Å; L113-S117 VanDerWaalsContact O-CB 3.23Å; L113-S117 WeakPolarHBondContact O-CB 3.23Å; L113-S117 PolarHBondContact O-N 3.1Å; L113-S117 PolarHBondContact O-OG 3.23Å; L113-F286 HydrophobicContact CD2-CD1 3.88Å; L113-F286 HydrophobicContact CD2-CD2 4.21Å; L113-F286 HydrophobicContact CD2-CE1 3.88Å; L113-F286 HydrophobicContact CD2-CE2 4.23Å; L113-F286 HydrophobicContact CD2-CG 4.04Å; L113-F286 HydrophobicContact CD2-CZ 4.07Å; L113-F286 HydrophobicContact CG-CD2 4.34Å; L113-F286 HydrophobicContact CG-CE2 4.17Å; L113-F286 HydrophobicContact CG-CZ 4.3Å
114S98.8Very high98.6Very high13 Ų1325.7 Ų25.79%0.09112%0.122CC..Hα-helixtrans-59.1-43.3178.2-780000113L110 C112 G118 S284L110-S114 WeakPolarHBondContact O-CB 3Å; L110-S114 PolarHBondContact O-N 3.44Å; L110-S114 PolarHBondContact O-OG 2.81Å; C112-S114 PolarHBondContact O-N 3.37Å; S114-G118 PolarHBondContact O-N 3.02Å; S114-G118 VanDerWaalsContact O-N 3.09Å; S114-S284 WeakPolarHBondContact CA-O 3.38Å; S114-S284 WeakPolarHBondContact CB-O 3.11Å; S114-S284 PolarHBondContact O-N 3.16Å; S114-S284 PolarHBondContact OG-O 3.41Å
115R98.8Very high98.6Very high112 Ų11228.8 Ų28.842%0.42314%0.135SC..Hα-helixtrans-70.3-48177.9-73.8173.5176.475.7-2.3111.7N111 C112 L113 G118 I119 F149 V283N111-R115 WeakPolarHBondContact O-CG 3.35Å; N111-R115 PolarHBondContact O-N 3.3Å; N111-R115 PolarHBondContact O-NH1 2.86Å; C112-R115 PolarHBondContact O-N 2.92Å; L113-R115 PolarHBondContact O-N 3.21Å; R115-G118 PolarHBondContact O-N 3.04Å; R115-I119 WeakPolarHBondContact O-CG1 3.24Å; R115-I119 PolarHBondContact O-N 2.8Å; R115-I119 VanDerWaalsContact O-N 3.07Å; R115-F149 HydrophobicContact CB-CE1 3.86Å; R115-F149 HydrophobicContact CB-CZ 4.35Å; R115-V283 HydrophobicContact CG-CG1 3.8Å
116A98.8Very high98.6Very high0 Ų028.9 Ų28.90%014%0.136CC..Hα-helixtrans-59.8-48179.100000111.6A58 C112 L113 G118 I119 A120 V152 A156A58-A116 HydrophobicContact CB-CB 4.44Å; A58-A116 WeakPolarHBondContact O-CB 3.35Å; C112-A116 WeakPolarHBondContact O-CB 3.38Å; C112-A116 PolarHBondContact O-N 2.78Å; L113-A116 PolarHBondContact O-N 3.07Å; A116-G118 PolarHBondContact O-N 2.86Å; A116-I119 PolarHBondContact O-N 2.96Å; A116-A120 WeakPolarHBondContact O-CB 3.17Å; A116-A120 PolarHBondContact O-N 3.03Å; A116-V152 HydrophobicContact CB-CG1 3.74Å; A116-A156 HydrophobicContact CB-CB 4.25Å; A116-A156 VanDerWaalsContact O-CB 3.23Å; A116-A156 WeakPolarHBondContact O-CB 2.98Å
117S98.8Very high98.5Very high0 Ų028.9 Ų28.90%014%0.135CC..Hα-helixtrans-66.4-35.3179-63.70000112.6V56 A58 L113 A120 T121V56-S117 WeakPolarHBondContact O-CA 3.49Å; V56-S117 VanDerWaalsContact O-CB 3.32Å; V56-S117 WeakPolarHBondContact O-CB 3.44Å; A58-S117 PolarHBondContact N-OG 3.16Å; A58-S117 PolarHBondContact O-N 3.29Å; A58-S117 PolarHBondContact O-OG 3.08Å; L113-S117 VanDerWaalsContact O-CB 3.23Å; L113-S117 WeakPolarHBondContact O-CB 3.23Å; L113-S117 PolarHBondContact O-N 3.1Å; L113-S117 PolarHBondContact O-OG 3.23Å; S117-A120 PolarHBondContact O-N 3.38Å; S117-T121 VanDerWaalsContact O-CB 3.3Å; S117-T121 WeakPolarHBondContact O-CB 3.39Å; S117-T121 PolarHBondContact O-N 3.43Å; S117-T121 PolarHBondContact O-OG1 3.28Å
118G98.7Very high98.4Very high5 Ų528.2 Ų28.25%0.05214%0.141CC..Hα-helixtrans-60.8-47.5172.900000112.6S114 R115 A116 T121 R122 P282S114-G118 PolarHBondContact O-N 3.02Å; S114-G118 VanDerWaalsContact O-N 3.09Å; R115-G118 PolarHBondContact O-N 3.04Å; A116-G118 PolarHBondContact O-N 2.86Å; G118-T121 PolarHBondContact O-N 2.9Å; G118-R122 PolarHBondContact O-N 3.34Å; G118-P282 WeakPolarHBondContact CA-O 3.14Å
119I98.8Very high98.4Very high7 Ų730.2 Ų30.24%0.03615%0.153CC..Hα-helixtrans-63.3-46.7177.1-67.8165.2000111R115 A116 T121 R122 C123 E153 A156 M157 I277 T278 C281R115-I119 WeakPolarHBondContact O-CG1 3.24Å; R115-I119 PolarHBondContact O-N 2.8Å; R115-I119 VanDerWaalsContact O-N 3.07Å; A116-I119 PolarHBondContact O-N 2.96Å; I119-T121 VanDerWaalsContact C-N 3.29Å; I119-T121 PolarHBondContact O-N 2.64Å; I119-R122 PolarHBondContact O-N 2.82Å; I119-C123 WeakPolarHBondContact O-CB 3.39Å; I119-C123 PolarHBondContact O-N 3.26Å; I119-C123 PolarHBondContact O-SG 2.98Å; I119-E153 HydrophobicContact CD1-CB 3.87Å; I119-E153 HydrophobicContact CD1-CG 3.61Å; I119-A156 HydrophobicContact CB-CB 3.87Å; I119-A156 HydrophobicContact CG2-CB 3.77Å; I119-M157 HydrophobicContact CG2-CG 4.24Å; I119-I277 HydrophobicContact CG2-CG2 4.03Å; I119-T278 HydrophobicContact CD1-CG2 4.22Å; I119-C281 HydrophobicContact CG1-CB 4.24Å
120A98.7Very high98.3Very high0 Ų030.3 Ų30.30%015%0.154CC..Hα-helixtrans-62.2-37.6178.700000112.1V56 A58 A116 S117 C123 S124 A156 V159 G160V56-A120 HydrophobicContact CB-CB 4.17Å; V56-A120 HydrophobicContact CG1-CB 3.95Å; A58-A120 HydrophobicContact CB-CB 3.36Å; A116-A120 WeakPolarHBondContact O-CB 3.17Å; A116-A120 PolarHBondContact O-N 3.03Å; S117-A120 PolarHBondContact O-N 3.38Å; A120-C123 PolarHBondContact O-N 2.96Å; A120-S124 WeakPolarHBondContact O-CB 3.39Å; A120-S124 PolarHBondContact O-N 3.38Å; A120-A156 WeakPolarHBondContact CA-O 2.9Å; A120-A156 HydrophobicContact CB-CB 4.38Å; A120-A156 WeakPolarHBondContact CB-O 2.94Å; A120-V159 HydrophobicContact CB-CG1 4.47Å; A120-G160 WeakPolarHBondContact O-CA 3.36Å
121T98.6Very high98.2Very high18 Ų1836.9 Ų36.911%0.1118%0.182CC..Hα-helixtrans-63-48.4175.2-57.60000111V56 S117 G118 I119 C123 S124 Q125V56-T121 PolarHBondContact N-OG1 2.72Å; S117-T121 VanDerWaalsContact O-CB 3.3Å; S117-T121 WeakPolarHBondContact O-CB 3.39Å; S117-T121 PolarHBondContact O-N 3.43Å; S117-T121 PolarHBondContact O-OG1 3.28Å; G118-T121 PolarHBondContact O-N 2.9Å; I119-T121 VanDerWaalsContact C-N 3.29Å; I119-T121 PolarHBondContact O-N 2.64Å; T121-C123 VanDerWaalsContact C-N 3.33Å; T121-C123 PolarHBondContact O-N 3.16Å; T121-S124 PolarHBondContact O-N 3.32Å; T121-Q125 WeakPolarHBondContact O-CG 3.42Å; T121-Q125 PolarHBondContact O-N 3.41Å
122R98.3Very high98.1Very high42 Ų4238.5 Ų38.516%0.15820%0.199CC..Hα-helixtrans-58.7-43.8175.2175.3167.1-72-169.3-6.8111.9G118 I119 Q125 L126 C276 G280 C281G118-R122 PolarHBondContact O-N 3.34Å; I119-R122 PolarHBondContact O-N 2.82Å; R122-Q125 PolarHBondContact O-N 3.21Å; R122-L126 HydrophobicContact CG-CD1 4.22Å; R122-L126 WeakPolarHBondContact O-CG 3.42Å; R122-L126 PolarHBondContact O-N 3.21Å; R122-C276 WeakPolarHBondContact CD-O 3.49Å; R122-C276 PolarHBondContact NH1-O 3.42Å; R122-G280 PolarHBondContact NH1-O 3.38Å; R122-C281 VanDerWaalsContact NH1-CA 3.3Å
123C98.4Very high98Very high0 Ų041.3 Ų41.30%022%0.222CC..Hα-helixtrans-60.5-47.2176.8-70.70000111.8I119 A120 T121 Q125 L126 Q127 G160 T162 I277I119-C123 WeakPolarHBondContact O-CB 3.39Å; I119-C123 PolarHBondContact O-N 3.26Å; I119-C123 PolarHBondContact O-SG 2.98Å; A120-C123 PolarHBondContact O-N 2.96Å; T121-C123 VanDerWaalsContact C-N 3.33Å; T121-C123 PolarHBondContact O-N 3.16Å; C123-Q125 VanDerWaalsContact C-N 3.29Å; C123-Q125 PolarHBondContact O-N 3.21Å; C123-L126 PolarHBondContact O-N 2.96Å; C123-Q127 WeakPolarHBondContact O-CB 3.21Å; C123-Q127 PolarHBondContact O-N 3.45Å; C123-G160 CarbonylContact C-O 3.58Å; C123-T162 HydrophobicContact CB-CG2 3.56Å; C123-T162 WeakPolarHBondContact CB-OG1 3.43Å; C123-T162 WeakPolarHBondContact O-CG2 3.4Å; C123-T162 PolarHBondContact SG-OG1 3.01Å; C123-I277 WeakPolarHBondContact SG-CG2 3.26Å
124S98.1Very high97.9Very high46 Ų4643.4 Ų43.432%0.32224%0.243SC..Hα-helixtrans-62.8-36.4178.4-177.70000112.3A120 T121 L128 G160A120-S124 WeakPolarHBondContact O-CB 3.39Å; A120-S124 PolarHBondContact O-N 3.38Å; T121-S124 PolarHBondContact O-N 3.32Å; S124-L128 WeakPolarHBondContact O-CB 3.46Å; S124-L128 PolarHBondContact O-N 3.34Å; S124-G160 VanDerWaalsContact CA-O 3.29Å; S124-G160 WeakPolarHBondContact CA-O 3.44Å; S124-G160 PolarHBondContact N-O 2.73Å
125Q97.6Very high97.9Very high114 Ų11443.8 Ų43.853%0.53324%0.243SC..Hα-helixtrans-64.9-48.5175.5-72.1168.2-13.800111.4T121 R122 C123 Q127 L128 T129T121-Q125 WeakPolarHBondContact O-CG 3.42Å; T121-Q125 PolarHBondContact O-N 3.41Å; R122-Q125 PolarHBondContact O-N 3.21Å; C123-Q125 VanDerWaalsContact C-N 3.29Å; C123-Q125 PolarHBondContact O-N 3.21Å; Q125-Q127 VanDerWaalsContact C-N 3.32Å; Q125-Q127 PolarHBondContact O-N 3.38Å; Q125-L128 WeakPolarHBondContact O-CB 3.39Å; Q125-L128 PolarHBondContact O-N 3.43Å; Q125-T129 PolarHBondContact O-N 3.42Å; Q125-T129 PolarHBondContact O-OG1 3.32Å
126L98Very high97.7Very high3 Ų347.1 Ų47.12%0.01626%0.263CS..Hα-helixtrans-60.7-42.3177.2-68.3167.6000111.9R122 C123 L128 T129 A130 V139 P258 V261 L274 I277R122-L126 HydrophobicContact CG-CD1 4.22Å; R122-L126 WeakPolarHBondContact O-CG 3.42Å; R122-L126 PolarHBondContact O-N 3.21Å; C123-L126 PolarHBondContact O-N 2.96Å; L126-L128 VanDerWaalsContact C-N 3.3Å; L126-L128 PolarHBondContact O-N 3.13Å; L126-T129 WeakPolarHBondContact O-CB 3.44Å; L126-T129 PolarHBondContact O-N 2.98Å; L126-A130 PolarHBondContact O-N 3.47Å; L126-V139 HydrophobicContact CB-CG1 3.96Å; L126-V139 HydrophobicContact CD1-CG1 4.15Å; L126-P258 HydrophobicContact CD2-CB 3.98Å; L126-P258 HydrophobicContact CD2-CG 4.24Å; L126-V261 HydrophobicContact CD2-CG1 4.02Å; L126-L274 HydrophobicContact CD1-CD2 4.31Å; L126-L274 HydrophobicContact CD2-CD2 4.13Å; L126-I277 HydrophobicContact CD1-CD1 3.81Å; L126-I277 HydrophobicContact CD1-CG1 3.57Å
127Q96.5Very high97.6Very high41 Ų4148 Ų4819%0.19227%0.272CS..Hα-helixtrans-65.4-34.8177.8-168.661.911.700112C123 Q125 K131C123-Q127 WeakPolarHBondContact O-CB 3.21Å; C123-Q127 PolarHBondContact O-N 3.45Å; Q125-Q127 VanDerWaalsContact C-N 3.32Å; Q125-Q127 PolarHBondContact O-N 3.38Å; Q127-K131 WeakPolarHBondContact O-CB 3.11Å; Q127-K131 VanDerWaalsContact O-CG 3.31Å; Q127-K131 WeakPolarHBondContact O-CG 3.3Å; Q127-K131 PolarHBondContact O-N 2.88Å; Q127-K131 VanDerWaalsContact O-N 3.07Å
128L96.8Very high97.5Very high112 Ų11252.8 Ų52.859%0.58629%0.294SS*.Hα-helixtrans-67.7-40.3173.3-176.964.1000111.7S124 Q125 L126 K131 S132S124-L128 WeakPolarHBondContact O-CB 3.46Å; S124-L128 PolarHBondContact O-N 3.34Å; Q125-L128 WeakPolarHBondContact O-CB 3.39Å; Q125-L128 PolarHBondContact O-N 3.43Å; L126-L128 VanDerWaalsContact C-N 3.3Å; L126-L128 PolarHBondContact O-N 3.13Å; L128-K131 PolarHBondContact O-N 3.17Å; L128-S132 VanDerWaalsContact O-CB 3.31Å; L128-S132 WeakPolarHBondContact O-CB 3.38Å; L128-S132 PolarHBondContact O-N 2.95Å; L128-S132 PolarHBondContact O-OG 3.22Å
129T97.9Very high97.5Very high53 Ų5352.6 Ų52.633%0.32529%0.292SS..Hα-helixtrans-60.6-47.2174.7-59.70000111.2Q125 L126 S132 A133 V261 A262 F265Q125-T129 PolarHBondContact O-N 3.42Å; Q125-T129 PolarHBondContact O-OG1 3.32Å; L126-T129 WeakPolarHBondContact O-CB 3.44Å; L126-T129 PolarHBondContact O-N 2.98Å; T129-S132 PolarHBondContact O-N 3.07Å; T129-A133 WeakPolarHBondContact O-CB 3.48Å; T129-A133 PolarHBondContact O-N 3.33Å; T129-A133 VanDerWaalsContact O-N 3.09Å; T129-V261 HydrophobicContact CG2-CG1 4.07Å; T129-A262 HydrophobicContact CG2-CB 4.34Å; T129-F265 HydrophobicContact CG2-CE2 4.1Å; T129-F265 HydrophobicContact CG2-CZ 4.29Å
130A97.3Very high97.5Very high2 Ų252.3 Ų52.32%0.01729%0.29CS..Hα-helixtrans-56.8-50.5175.400000112.7L126 S132 A133 G134 W135 V139 F265L126-A130 PolarHBondContact O-N 3.47Å; A130-S132 PolarHBondContact O-N 3.43Å; A130-A133 PolarHBondContact O-N 3.44Å; A130-G134 PolarHBondContact O-N 2.87Å; A130-W135 HydrophobicContact CB-CE3 3.81Å; A130-W135 HydrophobicContact CB-CZ3 4.43Å; A130-W135 PolarHBondContact O-N 3.01Å; A130-V139 HydrophobicContact CB-CG2 4.09Å; A130-F265 VanDerWaalsContact CA-CZ 3.48Å; A130-F265 HydrophobicContact CB-CE1 4.25Å; A130-F265 HydrophobicContact CB-CE2 4.48Å; A130-F265 HydrophobicContact CB-CZ 3.87Å
131K96.2Very high97.4Very high141 Ų14152.3 Ų52.361%0.61329%0.29SS*.Hα-helixtrans-63.3-42.9179.2-74.1174.8179.8175.90112.6Q127 L128 A133 G134Q127-K131 WeakPolarHBondContact O-CB 3.11Å; Q127-K131 VanDerWaalsContact O-CG 3.31Å; Q127-K131 WeakPolarHBondContact O-CG 3.3Å; Q127-K131 PolarHBondContact O-N 2.88Å; Q127-K131 VanDerWaalsContact O-N 3.07Å; L128-K131 PolarHBondContact O-N 3.17Å; K131-A133 PolarHBondContact O-N 2.74Å; K131-G134 PolarHBondContact O-N 3Å
132S97.3Very high97.3Very high97 Ų9752.1 Ų52.168%0.67829%0.289SS*.Hα-helixtrans-63.8-30.2179.2-58.60000112.2L128 T129 A130 G134L128-S132 VanDerWaalsContact O-CB 3.31Å; L128-S132 WeakPolarHBondContact O-CB 3.38Å; L128-S132 PolarHBondContact O-N 2.95Å; L128-S132 PolarHBondContact O-OG 3.22Å; T129-S132 PolarHBondContact O-N 3.07Å; A130-S132 PolarHBondContact O-N 3.43Å; S132-G134 VanDerWaalsContact C-N 3.28Å
133A97.1Very high97.3Very high61 Ų6153.8 Ų53.850%0.50430%0.296SS..THydrogen-bonded Turntrans-81.4-2.9174.100000113.9T129 A130 K131 W135 F265T129-A133 WeakPolarHBondContact O-CB 3.48Å; T129-A133 PolarHBondContact O-N 3.33Å; T129-A133 VanDerWaalsContact O-N 3.09Å; A130-A133 PolarHBondContact O-N 3.44Å; K131-A133 PolarHBondContact O-N 2.74Å; A133-W135 PolarHBondContact O-N 3.2Å; A133-F265 HydrophobicContact CB-CD2 3.45Å; A133-F265 VanDerWaalsContact CB-CD2 3.45Å; A133-F265 HydrophobicContact CB-CE2 3.7Å
134G97.3Very high97.2Very high44 Ų4459 Ų5945%0.45432%0.318SS..THydrogen-bonded Turntrans68.118.3-17500000114A130 K131 S132 H136A130-G134 PolarHBondContact O-N 2.87Å; K131-G134 PolarHBondContact O-N 3Å; S132-G134 VanDerWaalsContact C-N 3.28Å; G134-H136 PolarHBondContact O-NE2 3.47Å
135W98.1Very high97.3Very high22 Ų2257.5 Ų57.58%0.08331%0.307CS..  trans-77.7139177.4-174.860.3000110.7A130 A133 E138 V139 F265 S266 V269 I272A130-W135 HydrophobicContact CB-CE3 3.81Å; A130-W135 HydrophobicContact CB-CZ3 4.43Å; A130-W135 PolarHBondContact O-N 3.01Å; A133-W135 PolarHBondContact O-N 3.2Å; W135-E138 WeakPolarHBondContact CH2-O 3.32Å; W135-V139 HydrophobicContact CZ3-CG2 3.91Å; W135-F265 HydrophobicContact CB-CB 3.98Å; W135-F265 HydrophobicContact CB-CD1 4.04Å; W135-F265 HydrophobicContact CB-CD2 4.14Å; W135-F265 HydrophobicContact CB-CG 3.8Å; W135-F265 HydrophobicContact CD2-CB 4.44Å; W135-F265 AromaticContact CD2-CD1 3.44Å; W135-F265 HydrophobicContact CD2-CD1 3.44Å; W135-F265 VanDerWaalsContact CD2-CD1 3.44Å; W135-F265 AromaticContact CD2-CE1 3.94Å; W135-F265 HydrophobicContact CD2-CE1 3.94Å; W135-F265 HydrophobicContact CD2-CG 4.09Å; W135-F265 AromaticContact CE3-CD1 3.52Å; W135-F265 HydrophobicContact CE3-CD1 3.52Å; W135-F265 AromaticContact CE3-CE1 3.49Å; W135-F265 HydrophobicContact CE3-CE1 3.49Å; W135-F265 VanDerWaalsContact CE3-CE1 3.49Å; W135-F265 HydrophobicContact CE3-CG 4.44Å; W135-F265 HydrophobicContact CE3-CZ 4.36Å; W135-F265 HydrophobicContact CG-CB 3.84Å; W135-F265 AromaticContact CG-CD1 3.69Å; W135-F265 HydrophobicContact CG-CD1 3.69Å; W135-F265 HydrophobicContact CG-CE1 4.44Å; W135-F265 AromaticContact CG-CG 3.81Å; W135-F265 HydrophobicContact CG-CG 3.81Å; W135-F265 HydrophobicContact CZ3-CD1 4.17Å; W135-F265 AromaticContact CZ3-CE1 3.95Å; W135-F265 HydrophobicContact CZ3-CE1 3.95Å; W135-S266 PolarHBondContact NE1-O 2.88Å; W135-S266 VanDerWaalsContact NE1-O 3.08Å; W135-V269 HydrophobicContact CZ2-CG1 4.35Å; W135-V269 WeakPolarHBondContact CZ2-O 3.41Å; W135-V269 PolarHBondContact NE1-O 2.99Å; W135-V269 VanDerWaalsContact NE1-O 3.08Å; W135-I272 HydrophobicContact CH2-CB 4.01Å; W135-I272 HydrophobicContact CH2-CD1 3.63Å; W135-I272 HydrophobicContact CH2-CG1 3.6Å; W135-I272 HydrophobicContact CZ2-CD1 3.67Å; W135-I272 HydrophobicContact CZ2-CG1 3.74Å; W135-I272 HydrophobicContact CZ3-CD1 4.08Å; W135-I272 HydrophobicContact CZ3-CG1 4.42Å
136H93.9Very high97.3Very high182 Ų18255.7 Ų55.784%0.84330%0.304SS*.  trans-106.7-0.9-172-61.9-56.3000114.3G134G134-H136 PolarHBondContact O-NE2 3.47Å
137G96.9Very high97.3Very high18 Ų1861.3 Ų61.319%0.18634%0.341CS..SBendtrans-80-17217800000113.9D270G137-D270 CarbonylContact C-O 3.59Å; G137-D270 WeakPolarHBondContact CA-O 3.23Å
138E97.7Very high97.3Very high101 Ų10162.8 Ų62.847%0.47237%0.367SS..EExtended strand (participates in β ladder)trans-106123.5179.8-66.9-172-159.900111.7W135 S163 D270 I271 I272W135-E138 WeakPolarHBondContact CH2-O 3.32Å; E138-S163 WeakPolarHBondContact OE2-CB 3.24Å; E138-S163 PolarHBondContact OE2-OG 2.88Å; E138-D270 PolarHBondContact N-O 2.94Å; E138-I271 WeakPolarHBondContact O-CA 3.32Å; E138-I272 PolarHBondContact O-N 2.88Å
139V98.3Very high97.3Very high1 Ų158.5 Ų58.51%0.00634%0.344CS..EExtended strand (participates in β ladder)trans-74.4127.6161178.10000107.8L126 A130 W135 T162 S163 L274 I277L126-V139 HydrophobicContact CB-CG1 3.96Å; L126-V139 HydrophobicContact CD1-CG1 4.15Å; A130-V139 HydrophobicContact CB-CG2 4.09Å; W135-V139 HydrophobicContact CZ3-CG2 3.91Å; V139-T162 HydrophobicContact CB-CG2 3.99Å; V139-T162 HydrophobicContact CG1-CG2 3.76Å; V139-T162 WeakPolarHBondContact O-CB 3.1Å; V139-S163 PolarHBondContact O-N 2.88Å; V139-L274 HydrophobicContact CG1-CD1 3.92Å; V139-I277 HydrophobicContact CG1-CD1 4.12Å
140A98.2Very high97.3Very high0 Ų059.7 Ų59.70%034%0.342CS..EExtended strand (participates in β ladder)trans-124.8147.3-175.500000113.5S163 H165 I271 I272 S273 L274 I277A140-S163 CarbonylContact C-O 3.54Å; A140-S163 VanDerWaalsContact CA-O 3.3Å; A140-S163 WeakPolarHBondContact CA-O 3.29Å; A140-H165 HydrophobicContact CB-CB 4.41Å; A140-I271 HydrophobicContact CB-CG2 3.81Å; A140-I272 PolarHBondContact N-O 2.68Å; A140-S273 VanDerWaalsContact O-CA 3.28Å; A140-S273 WeakPolarHBondContact O-CA 3.43Å; A140-L274 PolarHBondContact O-N 3.33Å; A140-I277 WeakPolarHBondContact O-CD1 3.17Å
141G97.4Very high97.4Very high0 Ų062 Ų620%035%0.354CS..  trans-77.1-165.9165.500000112.7S163 H165G141-S163 PolarHBondContact N-O 2.9Å; G141-H165 WeakPolarHBondContact O-CB 3.38Å
142T97.1Very high97.5Very high15 Ų1555.2 Ų55.29%0.09233%0.325CS..  trans-140.7-173.9177.970.50000110.7K144 K154T142-K144 VanDerWaalsContact C-N 3.3Å; T142-K144 VanDerWaalsContact OG1-CB 3.27Å; T142-K144 WeakPolarHBondContact OG1-CB 3.39Å; T142-K144 WeakPolarHBondContact OG1-CG 3.44Å; T142-K144 PolarHBondContact OG1-N 3.45Å; T142-K154 VanDerWaalsContact O-CE 3.3Å; T142-K154 WeakPolarHBondContact O-CE 3.24Å; T142-K154 PolarHBondContact O-NZ 3.26Å
143R97.3Very high97.5Very high77 Ų7750.9 Ų50.929%0.29129%0.293SS..SBendtrans-87.16.3167.5-75.1176.655.2-126.9-2.3113.6T145 R166R143-T145 PolarHBondContact O-N 2.85Å; R143-T145 PolarHBondContact O-OG1 3.31Å; R143-R166 HydrophobicContact CG-CG 4.28Å
144K97.3Very high97.6Very high109 Ų10948 Ų4847%0.47427%0.27SS..  trans-76.557176.1-56.4-178.7-174.2174.40110.7T142 T278 Q279T142-K144 VanDerWaalsContact C-N 3.3Å; T142-K144 VanDerWaalsContact OG1-CB 3.27Å; T142-K144 WeakPolarHBondContact OG1-CB 3.39Å; T142-K144 WeakPolarHBondContact OG1-CG 3.44Å; T142-K144 PolarHBondContact OG1-N 3.45Å; K144-T278 PolarHBondContact O-OG1 3.09Å; K144-Q279 HydrophobicContact CB-CG 3.91Å; K144-Q279 WeakPolarHBondContact O-CG 3.45Å
145T98.4Very high97.6Very high15 Ų1546.1 Ų46.19%0.09225%0.249CC..PPolyproline II helixtrans-103.6155-174.356.50000110.7R143 R150 E153 T278R143-T145 PolarHBondContact O-N 2.85Å; R143-T145 PolarHBondContact O-OG1 3.31Å; T145-R150 HydrophobicContact CG2-CG 4.08Å; T145-R150 PolarHBondContact OG1-NE 2.92Å; T145-R150 PolarHBondContact OG1-NH2 3.31Å; T145-E153 WeakPolarHBondContact CA-OE2 3.35Å; T145-E153 WeakPolarHBondContact CB-OE2 3.2Å; T145-E153 HydrophobicContact CG2-CB 4.48Å; T145-E153 VanDerWaalsContact CG2-OE2 3.28Å; T145-E153 WeakPolarHBondContact CG2-OE2 3.34Å; T145-T278 HydrophobicContact CG2-CG2 4.39Å
146T98.3Very high97.6Very high75 Ų7545.1 Ų45.146%0.4625%0.245SC..PPolyproline II helixtrans-60.9129.1174.2-51.20000110.2G148 F149 E153T146-G148 PolarHBondContact O-N 3.03Å; T146-F149 HydrophobicContact CG2-CB 4.26Å; T146-F149 PolarHBondContact O-N 3.35Å; T146-E153 WeakPolarHBondContact CB-OE1 3.38Å; T146-E153 PolarHBondContact N-OE1 3.03Å; T146-E153 PolarHBondContact N-OE2 3.42Å; T146-E153 PolarHBondContact OG1-OE1 3.41Å
147P97.9Very high97.8Very high122 Ų12236.4 Ų36.479%0.79221%0.205SC*.THydrogen-bonded Turntrans-54133174.5-26.735.6000111.4F149P147-F149 PolarHBondContact O-N 2.81Å
148G96.6Very high97.8Very high72 Ų7238.4 Ų38.474%0.74221%0.211SC*.THydrogen-bonded Turntrans81.1-19.5-175.400000115.5T146T146-G148 PolarHBondContact O-N 3.03Å
149F98.1Very high97.8Very high22 Ų2234.7 Ų34.710%0.09620%0.195CC..THydrogen-bonded Turntrans-108.13.2-173.8-153-122.2000114.6W24 C112 R115 T146 P147 L151 V152 E153W24-F149 HydrophobicContact CH2-CE2 4.15Å; W24-F149 AromaticContact CZ2-CD2 3.91Å; W24-F149 HydrophobicContact CZ2-CD2 3.91Å; W24-F149 AromaticContact CZ2-CE2 3.62Å; W24-F149 HydrophobicContact CZ2-CE2 3.62Å; C112-F149 HydrophobicContact CB-CE2 4.48Å; C112-F149 HydrophobicContact CB-CZ 4.33Å; R115-F149 HydrophobicContact CB-CE1 3.86Å; R115-F149 HydrophobicContact CB-CZ 4.35Å; T146-F149 HydrophobicContact CG2-CB 4.26Å; T146-F149 PolarHBondContact O-N 3.35Å; P147-F149 PolarHBondContact O-N 2.81Å; F149-L151 VanDerWaalsContact C-N 3.3Å; F149-L151 PolarHBondContact O-N 3.2Å; F149-L151 VanDerWaalsContact O-N 3.16Å; F149-V152 HydrophobicContact CD1-CB 4.15Å; F149-V152 HydrophobicContact CD2-CB 4.17Å; F149-V152 HydrophobicContact CD2-CG2 3.93Å; F149-V152 HydrophobicContact CE1-CB 3.8Å; F149-V152 HydrophobicContact CE1-CG1 3.72Å; F149-V152 HydrophobicContact CE1-CG2 4.47Å; F149-V152 HydrophobicContact CE2-CB 3.84Å; F149-V152 HydrophobicContact CE2-CG1 4.08Å; F149-V152 HydrophobicContact CE2-CG2 3.58Å; F149-V152 HydrophobicContact CG-CB 4.3Å; F149-V152 HydrophobicContact CZ-CB 3.62Å; F149-V152 HydrophobicContact CZ-CG1 3.44Å; F149-V152 VanDerWaalsContact CZ-CG1 3.44Å; F149-V152 HydrophobicContact CZ-CG2 3.86Å; F149-V152 PolarHBondContact O-N 3.38Å; F149-V152 VanDerWaalsContact O-N 3.08Å; F149-E153 HydrophobicContact CD1-CG 3.6Å; F149-E153 HydrophobicContact CE1-CG 4.2Å; F149-E153 PolarHBondContact O-N 3.45Å
150R98Very high97.8Very high78 Ų7835 Ų3529%0.29420%0.198SC..Hα-helixtrans-52.6-41.7-173.3-179.1170.1-55.3132.13.7114.2T145 V152 E153 K154 Q167T145-R150 HydrophobicContact CG2-CG 4.08Å; T145-R150 PolarHBondContact OG1-NE 2.92Å; T145-R150 PolarHBondContact OG1-NH2 3.31Å; R150-V152 VanDerWaalsContact C-N 3.29Å; R150-V152 PolarHBondContact O-N 2.89Å; R150-E153 PolarHBondContact O-N 2.71Å; R150-K154 HydrophobicContact CG-CG 3.78Å; R150-K154 VanDerWaalsContact O-CB 3.24Å; R150-K154 WeakPolarHBondContact O-CB 3.42Å; R150-K154 WeakPolarHBondContact O-CG 3.18Å; R150-K154 PolarHBondContact O-N 3.27Å; R150-Q167 WeakPolarHBondContact CD-O 3.47Å
151L97.9Very high97.6Very high49 Ų4937 Ų3726%0.25722%0.218SC..Hα-helixtrans-59.7-42.5-178.1-178.261000111.3I12 L20 F62 F149 Y155I12-L151 HydrophobicContact CG2-CD2 4.17Å; L20-L151 HydrophobicContact CD1-CB 4.44Å; L20-L151 HydrophobicContact CD1-CD2 3.84Å; F62-L151 HydrophobicContact CE1-CD2 4.37Å; F62-L151 HydrophobicContact CE1-CG 4.47Å; F62-L151 HydrophobicContact CZ-CG 4.27Å; F149-L151 VanDerWaalsContact C-N 3.3Å; F149-L151 PolarHBondContact O-N 3.2Å; F149-L151 VanDerWaalsContact O-N 3.16Å; L151-Y155 WeakPolarHBondContact O-CB 3.34Å; L151-Y155 PolarHBondContact O-N 2.89Å
152V98.4Very high97.6Very high0 Ų037.3 Ų37.30%022%0.22CC..Hα-helixtrans-68.3-47179.8-176.30000110.9W24 F62 A116 F149 R150 K154 Y155 A156W24-V152 HydrophobicContact CH2-CG2 3.74Å; W24-V152 HydrophobicContact CZ2-CG2 3.89Å; F62-V152 HydrophobicContact CD1-CG2 3.86Å; F62-V152 HydrophobicContact CD2-CG1 4.26Å; F62-V152 HydrophobicContact CD2-CG2 4.29Å; F62-V152 HydrophobicContact CE1-CG2 3.66Å; F62-V152 HydrophobicContact CE2-CB 4.37Å; F62-V152 HydrophobicContact CE2-CG1 4.21Å; F62-V152 HydrophobicContact CE2-CG2 4.11Å; F62-V152 HydrophobicContact CG-CG2 4.17Å; F62-V152 HydrophobicContact CZ-CB 4.32Å; F62-V152 HydrophobicContact CZ-CG2 3.79Å; A116-V152 HydrophobicContact CB-CG1 3.74Å; F149-V152 HydrophobicContact CD1-CB 4.15Å; F149-V152 HydrophobicContact CD2-CB 4.17Å; F149-V152 HydrophobicContact CD2-CG2 3.93Å; F149-V152 HydrophobicContact CE1-CB 3.8Å; F149-V152 HydrophobicContact CE1-CG1 3.72Å; F149-V152 HydrophobicContact CE1-CG2 4.47Å; F149-V152 HydrophobicContact CE2-CB 3.84Å; F149-V152 HydrophobicContact CE2-CG1 4.08Å; F149-V152 HydrophobicContact CE2-CG2 3.58Å; F149-V152 HydrophobicContact CG-CB 4.3Å; F149-V152 HydrophobicContact CZ-CB 3.62Å; F149-V152 HydrophobicContact CZ-CG1 3.44Å; F149-V152 VanDerWaalsContact CZ-CG1 3.44Å; F149-V152 HydrophobicContact CZ-CG2 3.86Å; F149-V152 PolarHBondContact O-N 3.38Å; F149-V152 VanDerWaalsContact O-N 3.08Å; R150-V152 VanDerWaalsContact C-N 3.29Å; R150-V152 PolarHBondContact O-N 2.89Å; V152-K154 VanDerWaalsContact C-N 3.33Å; V152-K154 PolarHBondContact O-N 2.9Å; V152-Y155 PolarHBondContact O-N 3.38Å; V152-A156 WeakPolarHBondContact O-CB 3.3Å; V152-A156 PolarHBondContact O-N 2.95Å
153E98.7Very high97.6Very high5 Ų538.3 Ų38.32%0.02323%0.228CC..Hα-helixtrans-64-39.8-178.4-62.7-176.6169.800112I119 T145 T146 F149 R150 A156 M157 T278I119-E153 HydrophobicContact CD1-CB 3.87Å; I119-E153 HydrophobicContact CD1-CG 3.61Å; T145-E153 WeakPolarHBondContact CA-OE2 3.35Å; T145-E153 WeakPolarHBondContact CB-OE2 3.2Å; T145-E153 HydrophobicContact CG2-CB 4.48Å; T145-E153 VanDerWaalsContact CG2-OE2 3.28Å; T145-E153 WeakPolarHBondContact CG2-OE2 3.34Å; T146-E153 WeakPolarHBondContact CB-OE1 3.38Å; T146-E153 PolarHBondContact N-OE1 3.03Å; T146-E153 PolarHBondContact N-OE2 3.42Å; T146-E153 PolarHBondContact OG1-OE1 3.41Å; F149-E153 HydrophobicContact CD1-CG 3.6Å; F149-E153 HydrophobicContact CE1-CG 4.2Å; F149-E153 PolarHBondContact O-N 3.45Å; R150-E153 PolarHBondContact O-N 2.71Å; E153-A156 WeakPolarHBondContact O-CB 3.28Å; E153-A156 PolarHBondContact O-N 3.35Å; E153-M157 WeakPolarHBondContact O-CG 3.35Å; E153-M157 PolarHBondContact O-N 2.77Å; E153-M157 VanDerWaalsContact O-N 3.13Å; E153-T278 HydrophobicContact CB-CG2 3.97Å; E153-T278 HydrophobicContact CG-CG2 4.46Å
154K98Very high97.5Very high1 Ų137.2 Ų37.20%0.00423%0.227CC..Hα-helixtrans-71.2-40.1177.8-68.8-83.8-162.9-179.10111.7T142 R150 V152 A156 M157 L158 M164 R166 Q167T142-K154 VanDerWaalsContact O-CE 3.3Å; T142-K154 WeakPolarHBondContact O-CE 3.24Å; T142-K154 PolarHBondContact O-NZ 3.26Å; R150-K154 HydrophobicContact CG-CG 3.78Å; R150-K154 VanDerWaalsContact O-CB 3.24Å; R150-K154 WeakPolarHBondContact O-CB 3.42Å; R150-K154 WeakPolarHBondContact O-CG 3.18Å; R150-K154 PolarHBondContact O-N 3.27Å; V152-K154 VanDerWaalsContact C-N 3.33Å; V152-K154 PolarHBondContact O-N 2.9Å; K154-A156 VanDerWaalsContact C-N 3.31Å; K154-A156 PolarHBondContact O-N 3.39Å; K154-M157 HydrophobicContact CD-CE 4.36Å; K154-M157 HydrophobicContact CD-SD 3.88Å; K154-M157 WeakPolarHBondContact O-CB 3.47Å; K154-M157 PolarHBondContact O-N 2.79Å; K154-L158 PolarHBondContact O-N 3.22Å; K154-M164 HydrophobicContact CB-CG 4.22Å; K154-M164 HydrophobicContact CB-SD 3.74Å; K154-M164 HydrophobicContact CD-CB 4.01Å; K154-M164 HydrophobicContact CD-CG 4.29Å; K154-M164 PolarHBondContact NZ-O 2.66Å; K154-M164 WeakPolarHBondContact O-CG 3.2Å; K154-R166 PolarHBondContact NZ-O 3.33Å; K154-Q167 VanDerWaalsContact CB-OE1 3.32Å; K154-Q167 VanDerWaalsContact CD-OE1 3.25Å
155Y98.1Very high97.4Very high5 Ų533.8 Ų33.82%0.0221%0.213CC..Hα-helixtrans-59.1-43.2170.8176.8-99.3000111.9V8 I12 P61 F62 E80 L151 V152 M157 L158 V159V8-Y155 HydrophobicContact CB-CE2 4.21Å; V8-Y155 HydrophobicContact CG1-CD2 4Å; V8-Y155 HydrophobicContact CG1-CE2 3.67Å; I12-Y155 HydrophobicContact CD1-CD1 4.39Å; I12-Y155 HydrophobicContact CD1-CD2 3.27Å; I12-Y155 HydrophobicContact CD1-CE2 3.58Å; I12-Y155 HydrophobicContact CD1-CG 3.69Å; I12-Y155 HydrophobicContact CG1-CD2 3.95Å; I12-Y155 HydrophobicContact CG1-CE2 4.31Å; P61-Y155 HydrophobicContact CG-CE1 4.49Å; P61-Y155 WeakPolarHBondContact CG-OH 3.46Å; F62-Y155 HydrophobicContact CD2-CD1 4.46Å; F62-Y155 AromaticContact CE2-CD1 3.67Å; F62-Y155 HydrophobicContact CE2-CD1 3.67Å; F62-Y155 HydrophobicContact CE2-CE1 4.21Å; F62-Y155 AromaticContact CE2-CG 3.98Å; F62-Y155 HydrophobicContact CE2-CG 3.98Å; E80-Y155 HydrophobicContact CG-CE1 4.47Å; E80-Y155 VanDerWaalsContact OE2-CE1 3.27Å; E80-Y155 WeakPolarHBondContact OE2-CE1 3.1Å; E80-Y155 PolarHBondContact OE2-OH 3.28Å; L151-Y155 WeakPolarHBondContact O-CB 3.34Å; L151-Y155 PolarHBondContact O-N 2.89Å; V152-Y155 PolarHBondContact O-N 3.38Å; Y155-M157 VanDerWaalsContact C-N 3.3Å; Y155-M157 PolarHBondContact O-N 3.18Å; Y155-L158 WeakPolarHBondContact O-CB 3.46Å; Y155-L158 PolarHBondContact O-N 2.99Å; Y155-L158 VanDerWaalsContact O-N 3.16Å; Y155-V159 HydrophobicContact CD1-CG2 4.01Å; Y155-V159 HydrophobicContact CE1-CG2 3.56Å; Y155-V159 HydrophobicContact CE2-CG2 4.21Å; Y155-V159 WeakPolarHBondContact O-CG2 3.3Å; Y155-V159 PolarHBondContact O-N 3.39Å
156A98.3Very high97.2Very high0 Ų034.2 Ų34.20%021%0.213CC..Hα-helixtrans-61.5-35.5176.400000113A58 A116 I119 A120 V152 E153 K154 V159 G160A58-A156 HydrophobicContact CB-CB 4.46Å; A116-A156 HydrophobicContact CB-CB 4.25Å; A116-A156 VanDerWaalsContact O-CB 3.23Å; A116-A156 WeakPolarHBondContact O-CB 2.98Å; I119-A156 HydrophobicContact CB-CB 3.87Å; I119-A156 HydrophobicContact CG2-CB 3.77Å; A120-A156 WeakPolarHBondContact CA-O 2.9Å; A120-A156 HydrophobicContact CB-CB 4.38Å; A120-A156 WeakPolarHBondContact CB-O 2.94Å; V152-A156 WeakPolarHBondContact O-CB 3.3Å; V152-A156 PolarHBondContact O-N 2.95Å; E153-A156 WeakPolarHBondContact O-CB 3.28Å; E153-A156 PolarHBondContact O-N 3.35Å; K154-A156 VanDerWaalsContact C-N 3.31Å; K154-A156 PolarHBondContact O-N 3.39Å; A156-V159 PolarHBondContact O-N 2.89Å; A156-G160 PolarHBondContact O-N 2.84Å
157M98.1Very high97Very high0 Ų033.3 Ų33.30%020%0.203CC..Hα-helixtrans-60-47.9172-64.7167.4-170.200111.6I119 E153 K154 Y155 V159 G160 G161 T162 M164 I277 T278I119-M157 HydrophobicContact CG2-CG 4.24Å; E153-M157 WeakPolarHBondContact O-CG 3.35Å; E153-M157 PolarHBondContact O-N 2.77Å; E153-M157 VanDerWaalsContact O-N 3.13Å; K154-M157 HydrophobicContact CD-CE 4.36Å; K154-M157 HydrophobicContact CD-SD 3.88Å; K154-M157 WeakPolarHBondContact O-CB 3.47Å; K154-M157 PolarHBondContact O-N 2.79Å; Y155-M157 VanDerWaalsContact C-N 3.3Å; Y155-M157 PolarHBondContact O-N 3.18Å; M157-V159 PolarHBondContact O-N 3.33Å; M157-G160 CarbonylContact O-C 3.59Å; M157-G160 PolarHBondContact O-N 3.39Å; M157-G161 PolarHBondContact O-N 3.33Å; M157-T162 CarbonylContact C-O 3.51Å; M157-T162 WeakPolarHBondContact CB-OG1 3.37Å; M157-T162 PolarHBondContact O-N 2.87Å; M157-T162 PolarHBondContact O-OG1 3.42Å; M157-M164 HydrophobicContact CB-CG 4.42Å; M157-I277 HydrophobicContact CE-CG2 3.91Å; M157-I277 HydrophobicContact CG-CG2 3.96Å; M157-T278 HydrophobicContact CE-CG2 3.23Å
158L96.4Very high96.9Very high60 Ų6030.1 Ų30.131%0.31418%0.18SC..Hα-helixtrans-59.2-46.1177.1-68.6177.6000112V8 K154 Y155 G160 G161 M164V8-L158 HydrophobicContact CG1-CB 3.68Å; V8-L158 HydrophobicContact CG1-CD1 3.91Å; V8-L158 HydrophobicContact CG1-CG 4.47Å; K154-L158 PolarHBondContact O-N 3.22Å; Y155-L158 WeakPolarHBondContact O-CB 3.46Å; Y155-L158 PolarHBondContact O-N 2.99Å; Y155-L158 VanDerWaalsContact O-N 3.16Å; L158-G160 VanDerWaalsContact C-N 3.31Å; L158-G160 PolarHBondContact O-N 3.17Å; L158-G161 PolarHBondContact O-N 3.14Å; L158-G161 VanDerWaalsContact O-N 3.08Å; L158-M164 HydrophobicContact CD1-CE 3.76Å; L158-M164 HydrophobicContact CD1-CG 4.21Å; L158-M164 HydrophobicContact CD1-SD 3.49Å; L158-M164 WeakPolarHBondContact CD1-SD 3.17Å; L158-M164 HydrophobicContact CD2-CE 4.03Å; L158-M164 HydrophobicContact CD2-CG 3.65Å; L158-M164 HydrophobicContact CD2-SD 4.01Å; L158-M164 HydrophobicContact CG-CE 4.08Å; L158-M164 HydrophobicContact CG-CG 3.54Å; L158-M164 HydrophobicContact CG-SD 3.53Å; L158-M164 VanDerWaalsContact CG-SD 3.53Å
159V97.8Very high96.9Very high23 Ų2332.7 Ų32.714%0.13918%0.175CC..Hα-helixtrans-62.9-40.1178.2175.40000111V8 V56 A58 E80 G81 A120 Y155 A156 M157 G161V8-V159 HydrophobicContact CG1-CG2 4.33Å; V56-V159 HydrophobicContact CG1-CG1 4.36Å; A58-V159 HydrophobicContact CB-CB 3.99Å; A58-V159 HydrophobicContact CB-CG1 3.7Å; A58-V159 HydrophobicContact CB-CG2 4.43Å; E80-V159 HydrophobicContact CG-CG1 4.03Å; E80-V159 HydrophobicContact CG-CG2 3.93Å; G81-V159 VanDerWaalsContact CA-CG1 3.48Å; A120-V159 HydrophobicContact CB-CG1 4.47Å; Y155-V159 HydrophobicContact CD1-CG2 4.01Å; Y155-V159 HydrophobicContact CE1-CG2 3.56Å; Y155-V159 HydrophobicContact CE2-CG2 4.21Å; Y155-V159 WeakPolarHBondContact O-CG2 3.3Å; Y155-V159 PolarHBondContact O-N 3.39Å; A156-V159 PolarHBondContact O-N 2.89Å; M157-V159 PolarHBondContact O-N 3.33Å; V159-G161 PolarHBondContact O-N 2.75Å
160G96.9Very high96.6Very high6 Ų636.3 Ų36.36%0.06220%0.203CC..THydrogen-bonded Turntrans-73.5-3.917500000114.7A120 C123 S124 A156 M157 L158A120-G160 WeakPolarHBondContact O-CA 3.36Å; C123-G160 CarbonylContact C-O 3.58Å; S124-G160 VanDerWaalsContact CA-O 3.29Å; S124-G160 WeakPolarHBondContact CA-O 3.44Å; S124-G160 PolarHBondContact N-O 2.73Å; A156-G160 PolarHBondContact O-N 2.84Å; M157-G160 CarbonylContact O-C 3.59Å; M157-G160 PolarHBondContact O-N 3.39Å; L158-G160 VanDerWaalsContact C-N 3.31Å; L158-G160 PolarHBondContact O-N 3.17Å
161G95.5Very high96.3Very high42 Ų4234.9 Ų34.943%0.43321%0.213SC..THydrogen-bonded Turntrans81.820.4174.400000115.4M157 L158 V159M157-G161 PolarHBondContact O-N 3.33Å; L158-G161 PolarHBondContact O-N 3.14Å; L158-G161 VanDerWaalsContact O-N 3.08Å; V159-G161 PolarHBondContact O-N 2.75Å
162T96.3Very high96.2Very high7 Ų733.4 Ų33.44%0.04321%0.205CC..  trans-105.3157.1172.957.90000111.1C123 V139 M157C123-T162 HydrophobicContact CB-CG2 3.56Å; C123-T162 WeakPolarHBondContact CB-OG1 3.43Å; C123-T162 WeakPolarHBondContact O-CG2 3.4Å; C123-T162 PolarHBondContact SG-OG1 3.01Å; V139-T162 HydrophobicContact CB-CG2 3.99Å; V139-T162 HydrophobicContact CG1-CG2 3.76Å; V139-T162 WeakPolarHBondContact O-CB 3.1Å; M157-T162 CarbonylContact C-O 3.51Å; M157-T162 WeakPolarHBondContact CB-OG1 3.37Å; M157-T162 PolarHBondContact O-N 2.87Å; M157-T162 PolarHBondContact O-OG1 3.42Å
163S96.4Very high96.1Very high37 Ų3734.9 Ų34.926%0.25921%0.214SC..BIsolated β-bridgetrans-69.1135.2175.1-167.90000109.8E138 V139 A140 G141 H165E138-S163 WeakPolarHBondContact OE2-CB 3.24Å; E138-S163 PolarHBondContact OE2-OG 2.88Å; V139-S163 PolarHBondContact O-N 2.88Å; A140-S163 CarbonylContact C-O 3.54Å; A140-S163 VanDerWaalsContact CA-O 3.3Å; A140-S163 WeakPolarHBondContact CA-O 3.29Å; G141-S163 PolarHBondContact N-O 2.9Å; S163-H165 PolarHBondContact O-N 3.17Å
164M95.2Very high96Very high54 Ų5435.4 Ų35.427%0.26622%0.217SC..  trans-65.9-22.4175.9-74.7-170.4-57.700112.2K154 M157 L158K154-M164 HydrophobicContact CB-CG 4.22Å; K154-M164 HydrophobicContact CB-SD 3.74Å; K154-M164 HydrophobicContact CD-CB 4.01Å; K154-M164 HydrophobicContact CD-CG 4.29Å; K154-M164 PolarHBondContact NZ-O 2.66Å; K154-M164 WeakPolarHBondContact O-CG 3.2Å; M157-M164 HydrophobicContact CB-CG 4.42Å; L158-M164 HydrophobicContact CD1-CE 3.76Å; L158-M164 HydrophobicContact CD1-CG 4.21Å; L158-M164 HydrophobicContact CD1-SD 3.49Å; L158-M164 WeakPolarHBondContact CD1-SD 3.17Å; L158-M164 HydrophobicContact CD2-CE 4.03Å; L158-M164 HydrophobicContact CD2-CG 3.65Å; L158-M164 HydrophobicContact CD2-SD 4.01Å; L158-M164 HydrophobicContact CG-CE 4.08Å; L158-M164 HydrophobicContact CG-CG 3.54Å; L158-M164 HydrophobicContact CG-SD 3.53Å; L158-M164 VanDerWaalsContact CG-SD 3.53Å
165H96Very high95.9Very high36 Ų3636.1 Ų36.117%0.16722%0.221CC..  trans57.1-167.7-155.2-155.3-88.2000110.4A140 G141 S163 E204 E251A140-H165 HydrophobicContact CB-CB 4.41Å; G141-H165 WeakPolarHBondContact O-CB 3.38Å; S163-H165 PolarHBondContact O-N 3.17Å; H165-E204 IonicContact CE1-OE1 3.65Å; H165-E204 IonicContact CE1-OE2 3.84Å; H165-E204 PolarHBondContact CE1-OE2 2.64Å; H165-E204 IonicContact NE2-OE1 3.7Å; H165-E204 PolarHBondContact NE2-OE1 3Å; H165-E204 IonicContact NE2-OE2 3.42Å; H165-E204 PolarHBondContact NE2-OE2 3.31Å; H165-E251 IonicContact CD2-OE1 3.17Å; H165-E251 IonicContact CD2-OE2 3.97Å; H165-E251 PolarHBondContact CD2-OE2 2.8Å; H165-E251 IonicContact NE2-OE1 2.73Å; H165-E251 PolarHBondContact NE2-OE1 3.19Å; H165-E251 IonicContact NE2-OE2 3.69Å; H165-E251 PolarHBondContact NE2-OE2 2.65Å
166R95.4Very high95.7Very high25 Ų2539.1 Ų39.19%0.09423%0.234CC..  trans-63.3140.7177.272.1-171.4172.2151.80.1112R143 K154 M172 M174R143-R166 HydrophobicContact CG-CG 4.28Å; K154-R166 PolarHBondContact NZ-O 3.33Å; R166-M172 HydrophobicContact CB-CB 4Å; R166-M172 WeakPolarHBondContact CD-O 3.48Å; R166-M172 PolarHBondContact NH1-O 2.83Å; R166-M172 VanDerWaalsContact NH1-O 3.14Å; R166-M174 VanDerWaalsContact NH2-CB 3.26Å; R166-M174 PolarHBondContact NH2-SD 2.9Å
167Q94.1Very high95.2Very high55 Ų5540.6 Ų40.626%0.25724%0.241SC..SBendtrans-73.7-42.2-179.3-173.666.7-13.900112.1R150 K154R150-Q167 WeakPolarHBondContact CD-O 3.47Å; K154-Q167 VanDerWaalsContact CB-OE1 3.32Å; K154-Q167 VanDerWaalsContact CD-OE1 3.25Å
168D95.7Very high94.6Very high56 Ų5645.4 Ų45.430%0.29927%0.267SS..SBendtrans-148.8-164.5-174.652.647.1000110.3S170 G171D168-S170 VanDerWaalsContact C-N 3.27Å; D168-S170 WeakPolarHBondContact OD1-CA 3.1Å; D168-S170 PolarHBondContact OD1-N 3.49Å; D168-S170 PolarHBondContact OD1-OG 3.26Å; D168-G171 PolarHBondContact OD1-N 2.88Å
169L95.5Very high94.3Very high125 Ų12547 Ų4765%0.65427%0.273SS*.THydrogen-bonded Turntrans-73.2-19.7179-70.2171.6000113.1
170S91.9Very high93.7Very high98 Ų9847 Ų4769%0.68527%0.273SS*.THydrogen-bonded Turntrans-93.6-22.7-179.650.70000113.9D168 M172D168-S170 VanDerWaalsContact C-N 3.27Å; D168-S170 WeakPolarHBondContact OD1-CA 3.1Å; D168-S170 PolarHBondContact OD1-N 3.49Å; D168-S170 PolarHBondContact OD1-OG 3.26Å; S170-M172 VanDerWaalsContact C-N 3.3Å; S170-M172 PolarHBondContact O-N 3.38Å
171G91.7Very high93.1Very high48 Ų4854.2 Ų54.250%0.49530%0.298SS..THydrogen-bonded Turntrans-62.7-33.6-178.400000114.4D168D168-G171 PolarHBondContact OD1-N 2.88Å
172M95.4Very high92.5Very high18 Ų1856.5 Ų56.59%0.08931%0.313CS..SBendtrans-161.1142.9174.4-174.6-177.567.100109.6R166 S170 M174 K202 E204 I223R166-M172 HydrophobicContact CB-CB 4Å; R166-M172 WeakPolarHBondContact CD-O 3.48Å; R166-M172 PolarHBondContact NH1-O 2.83Å; R166-M172 VanDerWaalsContact NH1-O 3.14Å; S170-M172 VanDerWaalsContact C-N 3.3Å; S170-M172 PolarHBondContact O-N 3.38Å; M172-M174 PolarHBondContact O-N 3.14Å; M172-K202 HydrophobicContact CG-CB 3.8Å; M172-K202 WeakPolarHBondContact CG-O 3.39Å; M172-K202 HydrophobicContact SD-CB 3.72Å; M172-E204 HydrophobicContact CE-CB 3.52Å; M172-E204 HydrophobicContact CE-CG 4.24Å; M172-E204 WeakPolarHBondContact CE-OE2 3.43Å; M172-E204 HydrophobicContact SD-CB 4.2Å; M172-I223 HydrophobicContact CE-CD1 4.24Å; M172-I223 HydrophobicContact SD-CD1 3.62Å
173V96.7Very high91.8Very high31 Ų3158.7 Ų58.719%0.18833%0.329CS..EExtended strand (participates in β ladder)trans-68.2128.4171.5176.10000108.5L175 A193 C197 K202 I203 E204V173-L175 HydrophobicContact CG1-CD2 4.16Å; V173-L175 HydrophobicContact CG1-CG 4.07Å; V173-A193 HydrophobicContact CG1-CB 3.7Å; V173-C197 HydrophobicContact CG2-CB 3.75Å; V173-K202 PolarHBondContact N-O 2.88Å; V173-K202 VanDerWaalsContact N-O 3.17Å; V173-I203 HydrophobicContact CB-CB 4.47Å; V173-I203 HydrophobicContact CB-CG1 4.07Å; V173-I203 HydrophobicContact CG1-CG1 4.29Å; V173-I203 HydrophobicContact CG1-CG2 4.09Å; V173-I203 HydrophobicContact CG2-CG1 4.43Å; V173-E204 PolarHBondContact O-N 3.12Å
174M96.3Very high91.2Very high17 Ų1760.1 Ų60.18%0.08435%0.35CS..EExtended strand (participates in β ladder)trans-129.8117168.1-171.5-175-170.600108.9R166 M172 K176 E204 M225R166-M174 VanDerWaalsContact NH2-CB 3.26Å; R166-M174 PolarHBondContact NH2-SD 2.9Å; M172-M174 PolarHBondContact O-N 3.14Å; M174-K176 HydrophobicContact CE-CG 4.46Å; M174-K176 HydrophobicContact CG-CG 4.42Å; M174-K176 HydrophobicContact SD-CG 4.44Å; M174-E204 CarbonylContact C-O 3.52Å; M174-E204 VanDerWaalsContact CA-O 3.3Å; M174-E204 WeakPolarHBondContact CA-O 3.38Å; M174-E204 HydrophobicContact CB-CB 4.47Å; M174-E204 HydrophobicContact CG-CB 4.29Å; M174-E204 HydrophobicContact CG-CG 4.16Å; M174-E204 WeakPolarHBondContact CG-OE2 2.89Å; M174-M225 HydrophobicContact CE-CE 3.34Å; M174-M225 HydrophobicContact CE-SD 3.33Å; M174-M225 WeakPolarHBondContact CE-SD 3.33Å
175L96.2Very high91Very high16 Ų1659.3 Ų59.38%0.08435%0.349CS..EExtended strand (participates in β ladder)trans-93.4116.3175.8-59.9174.5000107.8V173 H179 A189 V190 A193 I203 E204 V205 E206V173-L175 HydrophobicContact CG1-CD2 4.16Å; V173-L175 HydrophobicContact CG1-CG 4.07Å; L175-H179 HydrophobicContact CD2-CB 4.17Å; L175-A189 HydrophobicContact CD1-CB 3.8Å; L175-A189 HydrophobicContact CD2-CB 4.47Å; L175-V190 HydrophobicContact CD1-CB 4.43Å; L175-V190 HydrophobicContact CD1-CG2 3.81Å; L175-A193 HydrophobicContact CD1-CB 4.32Å; L175-A193 HydrophobicContact CD2-CB 4.41Å; L175-I203 HydrophobicContact CD1-CG2 4.11Å; L175-E204 PolarHBondContact N-O 2.91Å; L175-V205 HydrophobicContact CB-CG1 4.44Å; L175-V205 HydrophobicContact CB-CG2 4.33Å; L175-V205 HydrophobicContact CD1-CG2 4.23Å; L175-V205 WeakPolarHBondContact O-CA 3.46Å; L175-E206 PolarHBondContact O-N 3.27Å
176K93.8Very high91Very high68 Ų6857.8 Ų57.830%0.29634%0.342SS..  trans-100.9170.4175.2-65.8-179.3159.7-85.50111.1M174 N178 H179 V180 E206M174-K176 HydrophobicContact CE-CG 4.46Å; M174-K176 HydrophobicContact CG-CG 4.42Å; M174-K176 HydrophobicContact SD-CG 4.44Å; K176-N178 PolarHBondContact O-N 3.03Å; K176-N178 VanDerWaalsContact O-N 3.1Å; K176-H179 PolarHBondContact N-ND1 2.91Å; K176-H179 WeakPolarHBondContact O-CA 3.31Å; K176-H179 WeakPolarHBondContact O-CB 3.5Å; K176-H179 PolarHBondContact O-N 3.35Å; K176-H179 PolarHBondContact O-ND1 2.8Å; K176-V180 PolarHBondContact O-N 3.42Å; K176-V180 VanDerWaalsContact O-N 3.13Å; K176-E206 HydrophobicContact CG-CB 4.44Å; K176-E206 IonicContact NZ-OE2 2.9Å; K176-E206 PolarHBondContact NZ-OE2 3.39Å
177D87.3Confident91.1Very high30 Ų3058.5 Ų58.516%0.1635%0.349CS..Hα-helixtrans-35.9-51.7170.964.8-18.5000114.5H179 V180 W181 R208D177-H179 VanDerWaalsContact C-N 3.29Å; D177-H179 PolarHBondContact O-N 3.03Å; D177-V180 PolarHBondContact O-N 2.92Å; D177-W181 HydrophobicContact CB-CD2 4.43Å; D177-W181 HydrophobicContact CB-CE3 4.48Å; D177-W181 HydrophobicContact CB-CH2 4Å; D177-W181 HydrophobicContact CB-CZ2 3.95Å; D177-W181 HydrophobicContact CB-CZ3 4.26Å; D177-W181 WeakPolarHBondContact O-CB 3.38Å; D177-W181 PolarHBondContact O-N 3.37Å; D177-W181 WeakPolarHBondContact OD2-CH2 3.46Å; D177-R208 VanDerWaalsContact CG-NH2 3.3Å; D177-R208 IonicContact OD2-CZ 3.49Å; D177-R208 IonicContact OD2-NH2 3.63Å; D177-R208 PolarHBondContact OD2-NH2 3.02Å
178N86.8Confident91.1Very high102 Ų10260.1 Ų60.155%0.54536%0.357SS..Hα-helixtrans-64.7-31.3-178-70.3-62.7000113.3K176 A182K176-N178 PolarHBondContact O-N 3.03Å; K176-N178 VanDerWaalsContact O-N 3.1Å; N178-A182 VanDerWaalsContact O-CB 3.26Å; N178-A182 WeakPolarHBondContact O-CB 3.31Å; N178-A182 PolarHBondContact O-N 3.34Å; N178-A182 VanDerWaalsContact O-N 3.1Å
179H88.9Confident91.1Very high92 Ų9257.8 Ų57.843%0.42635%0.346SS..Hα-helixtrans-74-44.2176.6-53.885.1000110L175 K176 D177 A182 S183L175-H179 HydrophobicContact CD2-CB 4.17Å; K176-H179 PolarHBondContact N-ND1 2.91Å; K176-H179 WeakPolarHBondContact O-CA 3.31Å; K176-H179 WeakPolarHBondContact O-CB 3.5Å; K176-H179 PolarHBondContact O-N 3.35Å; K176-H179 PolarHBondContact O-ND1 2.8Å; D177-H179 VanDerWaalsContact C-N 3.29Å; D177-H179 PolarHBondContact O-N 3.03Å; H179-A182 PolarHBondContact O-N 3Å; H179-S183 VanDerWaalsContact O-CB 3.31Å; H179-S183 WeakPolarHBondContact O-CB 3.47Å; H179-S183 PolarHBondContact O-N 3.28Å; H179-S183 PolarHBondContact O-OG 3.44Å; H179-S183 VanDerWaalsContact O-OG 3.08Å
180V86.3Confident91.2Very high23 Ų2351.9 Ų51.914%0.13932%0.315CS..Hα-helixtrans-60.2-49.6177.3176.30000109.8K176 D177 A182 S183 G184 I186K176-V180 PolarHBondContact O-N 3.42Å; K176-V180 VanDerWaalsContact O-N 3.13Å; D177-V180 PolarHBondContact O-N 2.92Å; V180-A182 VanDerWaalsContact C-N 3.33Å; V180-A182 PolarHBondContact O-N 3.27Å; V180-S183 WeakPolarHBondContact CA-OG 3.32Å; V180-S183 PolarHBondContact O-N 3.42Å; V180-S183 VanDerWaalsContact O-N 3.13Å; V180-S183 PolarHBondContact O-OG 3.18Å; V180-G184 PolarHBondContact O-N 3Å; V180-I186 HydrophobicContact CB-CG1 4.39Å; V180-I186 HydrophobicContact CG1-CG1 3.57Å; V180-I186 HydrophobicContact CG2-CG1 3.85Å
181W83.7Confident91.3Very high158 Ų15852.4 Ų52.460%0.59831%0.305SS*.Hα-helixtrans-59.3-41.2177-62.8-23.6000113.1D177 S183 R208D177-W181 HydrophobicContact CB-CD2 4.43Å; D177-W181 HydrophobicContact CB-CE3 4.48Å; D177-W181 HydrophobicContact CB-CH2 4Å; D177-W181 HydrophobicContact CB-CZ2 3.95Å; D177-W181 HydrophobicContact CB-CZ3 4.26Å; D177-W181 WeakPolarHBondContact O-CB 3.38Å; D177-W181 PolarHBondContact O-N 3.37Å; D177-W181 WeakPolarHBondContact OD2-CH2 3.46Å; W181-S183 VanDerWaalsContact C-N 3.34Å; W181-R208 VanDerWaalsContact CZ2-NH1 3.32Å
182A83.7Confident91.4Very high91 Ų9154.4 Ų54.475%0.75231%0.307SS*.Hα-helixtrans-69.6-30.9177.200000113N178 H179 V180N178-A182 VanDerWaalsContact O-CB 3.26Å; N178-A182 WeakPolarHBondContact O-CB 3.31Å; N178-A182 PolarHBondContact O-N 3.34Å; N178-A182 VanDerWaalsContact O-N 3.1Å; H179-A182 PolarHBondContact O-N 3Å; V180-A182 VanDerWaalsContact C-N 3.33Å; V180-A182 PolarHBondContact O-N 3.27Å
183S81Confident91.4Very high53 Ų5354.2 Ų54.237%0.37131%0.308SS..Hα-helixtrans-87.2-19.1-179.668.80000114.6H179 V180 W181 S185H179-S183 VanDerWaalsContact O-CB 3.31Å; H179-S183 WeakPolarHBondContact O-CB 3.47Å; H179-S183 PolarHBondContact O-N 3.28Å; H179-S183 PolarHBondContact O-OG 3.44Å; H179-S183 VanDerWaalsContact O-OG 3.08Å; V180-S183 WeakPolarHBondContact CA-OG 3.32Å; V180-S183 PolarHBondContact O-N 3.42Å; V180-S183 VanDerWaalsContact O-N 3.13Å; V180-S183 PolarHBondContact O-OG 3.18Å; W181-S183 VanDerWaalsContact C-N 3.34Å; S183-S185 PolarHBondContact O-N 3.06Å; S183-S185 PolarHBondContact OG-O 3.07Å; S183-S185 VanDerWaalsContact OG-O 3.07Å
184G83.6Confident91.4Very high67 Ų6756.2 Ų56.269%0.69131%0.312SS*.SBendtrans88.2-21.5-178.400000115.6V180V180-G184 PolarHBondContact O-N 3Å
185S92.1Very high91.3Very high36 Ų3660 Ų6025%0.25234%0.341SS..  trans-157.8154.6173.673.40000112.9S183 T187 E188 A189S183-S185 PolarHBondContact O-N 3.06Å; S183-S185 PolarHBondContact OG-O 3.07Å; S183-S185 VanDerWaalsContact OG-O 3.07Å; S185-T187 VanDerWaalsContact C-N 3.35Å; S185-E188 WeakPolarHBondContact OG-CB 3.39Å; S185-E188 WeakPolarHBondContact OG-CG 3.23Å; S185-E188 PolarHBondContact OG-N 3.32Å; S185-A189 PolarHBondContact O-N 2.83Å
186I95.6Very high91.3Very high5 Ų565.1 Ų65.13%0.02637%0.372CS..Hα-helixtrans-64.1-45.4176.5-66.3170.6000109.7V180 E188 A189 V190 V205 E212 E215 A216V180-I186 HydrophobicContact CB-CG1 4.39Å; V180-I186 HydrophobicContact CG1-CG1 3.57Å; V180-I186 HydrophobicContact CG2-CG1 3.85Å; I186-E188 VanDerWaalsContact C-N 3.34Å; I186-E188 PolarHBondContact O-N 3.39Å; I186-A189 PolarHBondContact O-N 3.09Å; I186-V190 HydrophobicContact CG2-CG2 4.21Å; I186-V190 WeakPolarHBondContact O-CG2 3.31Å; I186-V190 PolarHBondContact O-N 3.46Å; I186-V205 HydrophobicContact CG2-CG1 4Å; I186-E212 HydrophobicContact CD1-CB 3.64Å; I186-E212 HydrophobicContact CD1-CG 3.77Å; I186-E215 HydrophobicContact CB-CG 4.2Å; I186-E215 HydrophobicContact CG2-CG 4.47Å; I186-E215 PolarHBondContact N-OE1 3.49Å; I186-A216 HydrophobicContact CG2-CB 3.81Å
187T96Very high91.2Very high40 Ų4062.9 Ų62.925%0.24537%0.365CS..Hα-helixtrans-55-47.3-178.3-60.20000112.5S185 K191 E215 A219S185-T187 VanDerWaalsContact C-N 3.35Å; T187-K191 HydrophobicContact CG2-CD 4.45Å; T187-K191 WeakPolarHBondContact O-CG 3.38Å; T187-K191 PolarHBondContact O-N 3.05Å; T187-K191 VanDerWaalsContact O-N 3.16Å; T187-E215 PolarHBondContact N-OE1 2.93Å; T187-E215 VanDerWaalsContact OG1-CG 3.31Å; T187-E215 WeakPolarHBondContact OG1-CG 3.39Å; T187-E215 PolarHBondContact OG1-OE1 3.49Å; T187-A219 HydrophobicContact CG2-CB 4.22Å
188E94.6Very high91.4Very high88 Ų8862.9 Ų62.941%0.41137%0.372SS..Hα-helixtrans-71.9-37.9-179.5-66.3-55.3121.300111.8S185 I186 V190 K191 V192S185-E188 WeakPolarHBondContact OG-CB 3.39Å; S185-E188 WeakPolarHBondContact OG-CG 3.23Å; S185-E188 PolarHBondContact OG-N 3.32Å; I186-E188 VanDerWaalsContact C-N 3.34Å; I186-E188 PolarHBondContact O-N 3.39Å; E188-V190 VanDerWaalsContact C-N 3.32Å; E188-V190 PolarHBondContact O-N 3.16Å; E188-K191 PolarHBondContact O-N 2.98Å; E188-K191 IonicContact OE1-NZ 3.33Å; E188-K191 PolarHBondContact OE1-NZ 3.32Å; E188-V192 WeakPolarHBondContact O-CB 3.33Å; E188-V192 VanDerWaalsContact O-CG2 3.31Å; E188-V192 WeakPolarHBondContact O-CG2 3.39Å; E188-V192 PolarHBondContact O-N 2.85Å
189A96.3Very high91.7Very high8 Ų867.8 Ų67.87%0.06639%0.389CS..Hα-helixtrans-57.6-44.8174.600000112.2L175 S185 I186 A193L175-A189 HydrophobicContact CD1-CB 3.8Å; L175-A189 HydrophobicContact CD2-CB 4.47Å; S185-A189 PolarHBondContact O-N 2.83Å; I186-A189 PolarHBondContact O-N 3.09Å; A189-A193 WeakPolarHBondContact O-CB 3.3Å; A189-A193 PolarHBondContact O-N 3.18Å
190V96.8Very high91.9Very high1 Ų167.9 Ų67.91%0.00640%0.4CS..Hα-helixtrans-64.7-46.3178.9173.80000111.1L175 I186 E188 V192 A193 R194 I203 V205 A219L175-V190 HydrophobicContact CD1-CB 4.43Å; L175-V190 HydrophobicContact CD1-CG2 3.81Å; I186-V190 HydrophobicContact CG2-CG2 4.21Å; I186-V190 WeakPolarHBondContact O-CG2 3.31Å; I186-V190 PolarHBondContact O-N 3.46Å; E188-V190 VanDerWaalsContact C-N 3.32Å; E188-V190 PolarHBondContact O-N 3.16Å; V190-V192 PolarHBondContact O-N 3.03Å; V190-A193 PolarHBondContact O-N 3.5Å; V190-R194 WeakPolarHBondContact O-CB 3.27Å; V190-R194 PolarHBondContact O-N 2.69Å; V190-I203 HydrophobicContact CG1-CD1 4.35Å; V190-I203 HydrophobicContact CG1-CG2 4.45Å; V190-I203 HydrophobicContact CG2-CG2 4.5Å; V190-V205 HydrophobicContact CG2-CG2 3.66Å; V190-A219 HydrophobicContact CB-CB 3.88Å; V190-A219 HydrophobicContact CG1-CB 3.98Å; V190-A219 VanDerWaalsContact CG1-O 3.23Å; V190-A219 WeakPolarHBondContact CG1-O 3.21Å; V190-A219 HydrophobicContact CG2-CB 4.18Å
191K94.8Very high92.3Very high109 Ų10968.3 Ų68.347%0.47440%0.404SS..Hα-helixtrans-60.8-46.3178.1-72.4175.1-170.4163.60112.2T187 E188 R194 S195T187-K191 HydrophobicContact CG2-CD 4.45Å; T187-K191 WeakPolarHBondContact O-CG 3.38Å; T187-K191 PolarHBondContact O-N 3.05Å; T187-K191 VanDerWaalsContact O-N 3.16Å; E188-K191 PolarHBondContact O-N 2.98Å; E188-K191 IonicContact OE1-NZ 3.33Å; E188-K191 PolarHBondContact OE1-NZ 3.32Å; K191-R194 PolarHBondContact O-N 3.31Å; K191-S195 PolarHBondContact O-N 2.9Å
192V94.7Very high92.9Very high90 Ų9065.5 Ų65.555%0.54540%0.396SS..Hα-helixtrans-61.7-47.8178.11710000109.9E188 V190 R194 S195 V196E188-V192 WeakPolarHBondContact O-CB 3.33Å; E188-V192 VanDerWaalsContact O-CG2 3.31Å; E188-V192 WeakPolarHBondContact O-CG2 3.39Å; E188-V192 PolarHBondContact O-N 2.85Å; V190-V192 PolarHBondContact O-N 3.03Å; V192-R194 VanDerWaalsContact C-N 3.33Å; V192-R194 PolarHBondContact O-N 2.99Å; V192-S195 PolarHBondContact O-N 3.14Å; V192-S195 PolarHBondContact O-OG 2.81Å; V192-V196 PolarHBondContact O-N 3.26Å
193A95.3Very high93.6Very high14 Ų1461.1 Ų61.112%0.11636%0.36CS..Hα-helixtrans-60.9-42.2178.200000112.4V173 L175 A189 V190 S195 V196 C197 I203V173-A193 HydrophobicContact CG1-CB 3.7Å; L175-A193 HydrophobicContact CD1-CB 4.32Å; L175-A193 HydrophobicContact CD2-CB 4.41Å; A189-A193 WeakPolarHBondContact O-CB 3.3Å; A189-A193 PolarHBondContact O-N 3.18Å; V190-A193 PolarHBondContact O-N 3.5Å; A193-S195 VanDerWaalsContact C-N 3.29Å; A193-S195 PolarHBondContact O-N 2.54Å; A193-V196 PolarHBondContact O-N 3.35Å; A193-V196 VanDerWaalsContact O-N 3.1Å; A193-C197 PolarHBondContact O-N 3.02Å; A193-C197 PolarHBondContact O-SG 3.02Å; A193-I203 HydrophobicContact CB-CD1 4.14Å
194R95.6Very high94.5Very high72 Ų7258.6 Ų58.627%0.27234%0.343SS..Hα-helixtrans-61.1-37.2176.7-174.662.968.6-163.23.2112.4V190 K191 V192 V196 G198 S201 I203 G220 D222V190-R194 WeakPolarHBondContact O-CB 3.27Å; V190-R194 PolarHBondContact O-N 2.69Å; K191-R194 PolarHBondContact O-N 3.31Å; V192-R194 VanDerWaalsContact C-N 3.33Å; V192-R194 PolarHBondContact O-N 2.99Å; R194-V196 PolarHBondContact O-N 2.97Å; R194-G198 WeakPolarHBondContact CD-O 3.33Å; R194-G198 PolarHBondContact NH1-O 3.27Å; R194-G198 WeakPolarHBondContact O-CA 3.47Å; R194-G198 PolarHBondContact O-N 3.32Å; R194-S201 PolarHBondContact NH1-O 3.2Å; R194-I203 HydrophobicContact CB-CD1 3.72Å; R194-I203 VanDerWaalsContact CZ-CD1 3.42Å; R194-G220 PolarHBondContact NH2-O 3.48Å; R194-D222 IonicContact CZ-OD2 3.7Å; R194-D222 IonicContact NH1-OD2 3.67Å; R194-D222 IonicContact NH2-OD1 2.73Å; R194-D222 IonicContact NH2-OD2 2.65Å; R194-D222 PolarHBondContact NH2-OD2 3.21Å
195S95.3Very high95.2Very high97 Ų9755.4 Ų55.468%0.67831%0.31SS*.Hα-helixtrans-64.2-23.9177.178.60000113.5K191 V192 A193K191-S195 PolarHBondContact O-N 2.9Å; V192-S195 PolarHBondContact O-N 3.14Å; V192-S195 PolarHBondContact O-OG 2.81Å; A193-S195 VanDerWaalsContact C-N 3.29Å; A193-S195 PolarHBondContact O-N 2.54Å
196V94.4Very high95.4Very high124 Ų12454.4 Ų54.475%0.75230%0.301SS*.Hα-helixtrans-94.6-47.5-179.8178.10000111.7V192 A193 R194V192-V196 PolarHBondContact O-N 3.26Å; A193-V196 PolarHBondContact O-N 3.35Å; A193-V196 VanDerWaalsContact O-N 3.1Å; R194-V196 PolarHBondContact O-N 2.97Å
197C93.2Very high95.5Very high20 Ų2054.1 Ų54.114%0.13530%0.3CS..Hα-helixtrans-85.5-15.8-173.674.20000113.9V173 A193 S200V173-C197 HydrophobicContact CG2-CB 3.75Å; A193-C197 PolarHBondContact O-N 3.02Å; A193-C197 PolarHBondContact O-SG 3.02Å; C197-S200 PolarHBondContact O-OG 3.29Å
198G91.6Very high95.5Very high31 Ų3157.8 Ų57.832%0.3231%0.309SS..THydrogen-bonded Turntrans63.4-147.4178.100000113.4R194R194-G198 WeakPolarHBondContact CD-O 3.33Å; R194-G198 PolarHBondContact NH1-O 3.27Å; R194-G198 WeakPolarHBondContact O-CA 3.47Å; R194-G198 PolarHBondContact O-N 3.32Å
199F92.3Very high95.6Very high205 Ų20555.6 Ų55.690%0.89930%0.303SS*.THydrogen-bonded Turntrans-85.8-17-176.775.1-90.5000113.7
200S92.7Very high95.6Very high94 Ų9456.8 Ų56.866%0.65731%0.31SS*.SBendtrans-84.3-10.6-170.550.80000114.2C197C197-S200 PolarHBondContact O-OG 3.29Å
201S95.3Very high95.7Very high32 Ų3259.8 Ų59.822%0.22433%0.334CS..SBendtrans-124.9140.1-177.2-58.90000111.1R194R194-S201 PolarHBondContact NH1-O 3.2Å
202K97.1Very high95.8Very high98 Ų9857.8 Ų57.843%0.42633%0.327SS..  trans-73.9153.6169.7-68.7-173.1177.7-175.70111.1M172 V173 D222 I223M172-K202 HydrophobicContact CG-CB 3.8Å; M172-K202 WeakPolarHBondContact CG-O 3.39Å; M172-K202 HydrophobicContact SD-CB 3.72Å; V173-K202 PolarHBondContact N-O 2.88Å; V173-K202 VanDerWaalsContact N-O 3.17Å; K202-D222 VanDerWaalsContact CA-OD2 3.24Å; K202-D222 WeakPolarHBondContact CA-OD2 3.06Å; K202-D222 HydrophobicContact CB-CB 4.01Å; K202-D222 HydrophobicContact CD-CB 4.32Å; K202-D222 HydrophobicContact CG-CB 4.05Å; K202-I223 HydrophobicContact CD-CD1 4.03Å
203I98Very high95.9Very high0 Ų053.5 Ų53.50%030%0.301CS..EExtended strand (participates in β ladder)trans-115.6117.4169.9-58.5178.8000108.2V173 L175 V190 A193 R194 V205 D222 I223V173-I203 HydrophobicContact CB-CB 4.47Å; V173-I203 HydrophobicContact CB-CG1 4.07Å; V173-I203 HydrophobicContact CG1-CG1 4.29Å; V173-I203 HydrophobicContact CG1-CG2 4.09Å; V173-I203 HydrophobicContact CG2-CG1 4.43Å; L175-I203 HydrophobicContact CD1-CG2 4.11Å; V190-I203 HydrophobicContact CG1-CD1 4.35Å; V190-I203 HydrophobicContact CG1-CG2 4.45Å; V190-I203 HydrophobicContact CG2-CG2 4.5Å; A193-I203 HydrophobicContact CB-CD1 4.14Å; R194-I203 HydrophobicContact CB-CD1 3.72Å; R194-I203 VanDerWaalsContact CZ-CD1 3.42Å; I203-V205 HydrophobicContact CG2-CG2 4.24Å; I203-D222 PolarHBondContact N-OD2 3.21Å; I203-D222 PolarHBondContact O-N 2.91Å; I203-I223 PolarHBondContact O-N 2.64Å
204E98.5Very high96.1Very high0 Ų057.3 Ų57.30%031%0.312CS..EExtended strand (participates in β ladder)trans-102.1139.1170.9178.6180-146.400110.1H165 M172 V173 M174 L175 I223 M225 E251H165-E204 IonicContact CE1-OE1 3.65Å; H165-E204 IonicContact CE1-OE2 3.84Å; H165-E204 PolarHBondContact CE1-OE2 2.64Å; H165-E204 IonicContact NE2-OE1 3.7Å; H165-E204 PolarHBondContact NE2-OE1 3Å; H165-E204 IonicContact NE2-OE2 3.42Å; H165-E204 PolarHBondContact NE2-OE2 3.31Å; M172-E204 HydrophobicContact CE-CB 3.52Å; M172-E204 HydrophobicContact CE-CG 4.24Å; M172-E204 WeakPolarHBondContact CE-OE2 3.43Å; M172-E204 HydrophobicContact SD-CB 4.2Å; V173-E204 PolarHBondContact O-N 3.12Å; M174-E204 CarbonylContact C-O 3.52Å; M174-E204 VanDerWaalsContact CA-O 3.3Å; M174-E204 WeakPolarHBondContact CA-O 3.38Å; M174-E204 HydrophobicContact CB-CB 4.47Å; M174-E204 HydrophobicContact CG-CB 4.29Å; M174-E204 HydrophobicContact CG-CG 4.16Å; M174-E204 WeakPolarHBondContact CG-OE2 2.89Å; L175-E204 PolarHBondContact N-O 2.91Å; E204-I223 VanDerWaalsContact CA-O 3.31Å; E204-I223 WeakPolarHBondContact CA-O 3.35Å; E204-I223 HydrophobicContact CB-CB 4.03Å; E204-I223 HydrophobicContact CB-CD1 4.44Å; E204-I223 HydrophobicContact CB-CG2 4.49Å; E204-I223 HydrophobicContact CG-CB 4.03Å; E204-I223 HydrophobicContact CG-CG2 3.96Å; E204-M225 HydrophobicContact CG-CB 4.35Å; E204-M225 WeakPolarHBondContact OE1-CE 2.98Å; E204-E251 VanDerWaalsContact OE1-CD 3.29Å
205V98.3Very high96.2Very high0 Ų057.1 Ų57.10%031%0.314CS..EExtended strand (participates in β ladder)trans-124.9124.2176.2-172.30000110.4L175 I186 V190 I203 A216 A221 I223 M225L175-V205 HydrophobicContact CB-CG1 4.44Å; L175-V205 HydrophobicContact CB-CG2 4.33Å; L175-V205 HydrophobicContact CD1-CG2 4.23Å; L175-V205 WeakPolarHBondContact O-CA 3.46Å; I186-V205 HydrophobicContact CG2-CG1 4Å; V190-V205 HydrophobicContact CG2-CG2 3.66Å; I203-V205 HydrophobicContact CG2-CG2 4.24Å; V205-A216 HydrophobicContact CB-CB 3.8Å; V205-A216 HydrophobicContact CG1-CB 3.93Å; V205-A216 HydrophobicContact CG2-CB 4.02Å; V205-A221 HydrophobicContact CG2-CB 3.71Å; V205-I223 PolarHBondContact N-O 3.33Å; V205-M225 PolarHBondContact O-N 3.39Å
206E97.4Very high96.3Very high14 Ų1452.5 Ų52.57%0.06528%0.282CS..EExtended strand (participates in β ladder)trans-76.2122.2171.1-168.1-178.690.700109.8L175 K176 M225 D227L175-E206 PolarHBondContact O-N 3.27Å; K176-E206 HydrophobicContact CG-CB 4.44Å; K176-E206 IonicContact NZ-OE2 2.9Å; K176-E206 PolarHBondContact NZ-OE2 3.39Å; E206-M225 HydrophobicContact CB-SD 4.45Å; E206-M225 HydrophobicContact CG-CG 4.48Å; E206-M225 HydrophobicContact CG-SD 4.06Å; E206-D227 HydrophobicContact CG-CB 3.69Å
207C97.3Very high96.5Very high0 Ų047.1 Ų47.10%025%0.25CS..EExtended strand (participates in β ladder)trans-127139.9-175-60.10000110.1E212 V224 M225 L226 D227C207-E212 HydrophobicContact CB-CB 3.9Å; C207-V224 HydrophobicContact CB-CG1 4.19Å; C207-M225 PolarHBondContact N-O 3.11Å; C207-L226 HydrophobicContact CB-CD2 4.37Å; C207-D227 PolarHBondContact O-N 2.73Å
208R95.3Very high96.8Very high117 Ų11750.1 Ų50.144%0.44227%0.272SS..SBendtrans-106-2.8-179.6-63.8179.8175.5169.22.8113.3D177 W181 E212D177-R208 VanDerWaalsContact CG-NH2 3.3Å; D177-R208 IonicContact OD2-CZ 3.49Å; D177-R208 IonicContact OD2-NH2 3.63Å; D177-R208 PolarHBondContact OD2-NH2 3.02Å; W181-R208 VanDerWaalsContact CZ2-NH1 3.32Å; R208-E212 PolarHBondContact N-OE2 2.96Å
209S96.6Very high97Very high41 Ų4149.8 Ų49.829%0.28727%0.266SS..SBendtrans-147.6157.1175.171.70000110.9A211 E212 G213S209-A211 PolarHBondContact O-N 2.77Å; S209-E212 PolarHBondContact O-N 2.83Å; S209-E212 WeakPolarHBondContact OG-CG 3.34Å; S209-E212 PolarHBondContact OG-N 3.04Å; S209-E212 VanDerWaalsContact OG-N 3.16Å; S209-G213 PolarHBondContact O-N 2.96Å
210T97.6Very high97.2Very high34 Ų3441.7 Ų41.721%0.20924%0.241CC..Hα-helixtrans-59.4-30.7173.1-45.80000111.9G213 R214 A237 L241T210-G213 PolarHBondContact O-N 2.95Å; T210-R214 PolarHBondContact O-N 3.08Å; T210-A237 HydrophobicContact CG2-CB 4.16Å; T210-A237 VanDerWaalsContact OG1-CB 3.26Å; T210-A237 WeakPolarHBondContact OG1-CB 3.42Å; T210-L241 HydrophobicContact CG2-CD2 4.47Å; T210-L241 HydrophobicContact CG2-CG 4.24Å
211A97.6Very high97.5Very high63 Ų6337.7 Ų37.752%0.52121%0.213SC..Hα-helixtrans-67.1-44.4177.100000112S209 G213 R214 E215S209-A211 PolarHBondContact O-N 2.77Å; A211-G213 VanDerWaalsContact C-N 3.33Å; A211-R214 PolarHBondContact O-N 2.71Å; A211-E215 PolarHBondContact O-N 3.35Å
212E97.4Very high97.6Very high68 Ų6838.9 Ų38.932%0.31822%0.217SC..Hα-helixtrans-62.1-41.7172.6-73176.8-172.300111.3I186 C207 R208 S209 R214 E215 A216I186-E212 HydrophobicContact CD1-CB 3.64Å; I186-E212 HydrophobicContact CD1-CG 3.77Å; C207-E212 HydrophobicContact CB-CB 3.9Å; R208-E212 PolarHBondContact N-OE2 2.96Å; S209-E212 PolarHBondContact O-N 2.83Å; S209-E212 WeakPolarHBondContact OG-CG 3.34Å; S209-E212 PolarHBondContact OG-N 3.04Å; S209-E212 VanDerWaalsContact OG-N 3.16Å; E212-R214 VanDerWaalsContact C-N 3.31Å; E212-R214 PolarHBondContact O-N 2.93Å; E212-E215 PolarHBondContact O-N 3.33Å; E212-A216 WeakPolarHBondContact O-CB 3.44Å; E212-A216 PolarHBondContact O-N 3.5Å
213G97.8Very high97.7Very high0 Ų034.5 Ų34.50%020%0.198CC..Hα-helixtrans-58.8-41.2174.600000112.8S209 T210 A211 A216 A217S209-G213 PolarHBondContact O-N 2.96Å; T210-G213 PolarHBondContact O-N 2.95Å; A211-G213 VanDerWaalsContact C-N 3.33Å; G213-A216 PolarHBondContact O-N 3.44Å; G213-A217 WeakPolarHBondContact O-CB 3.46Å; G213-A217 PolarHBondContact O-N 2.95Å
214R98.4Very high97.7Very high94 Ų9434.5 Ų34.536%0.35520%0.198SC..Hα-helixtrans-66.3-40.9175.7-176.3-179.5-65.2117.60.1111.7T210 A211 E212 S218 L241 E244 F245T210-R214 PolarHBondContact O-N 3.08Å; A211-R214 PolarHBondContact O-N 2.71Å; E212-R214 VanDerWaalsContact C-N 3.31Å; E212-R214 PolarHBondContact O-N 2.93Å; R214-S218 VanDerWaalsContact O-CB 3.3Å; R214-S218 WeakPolarHBondContact O-CB 3.44Å; R214-S218 PolarHBondContact O-N 3.4Å; R214-S218 PolarHBondContact O-OG 2.96Å; R214-L241 HydrophobicContact CB-CD2 4.15Å; R214-E244 WeakPolarHBondContact CD-OE2 3.42Å; R214-E244 IonicContact CZ-OE1 3.5Å; R214-E244 IonicContact CZ-OE2 3.38Å; R214-E244 IonicContact NE-OE1 2.95Å; R214-E244 PolarHBondContact NE-OE1 3.08Å; R214-E244 IonicContact NE-OE2 2.71Å; R214-E244 PolarHBondContact NE-OE2 3.06Å; R214-E244 IonicContact NH2-OE1 2.72Å; R214-E244 PolarHBondContact NH2-OE1 3.17Å; R214-E244 IonicContact NH2-OE2 3.74Å; R214-F245 HydrophobicContact CG-CE2 4.03Å; R214-F245 HydrophobicContact CG-CZ 4.28Å
215E98Very high97.7Very high67 Ų6734.8 Ų34.831%0.31320%0.2SC..Hα-helixtrans-61.7-48.8174.8-170.4-171.8161.100110.9I186 T187 A211 E212 A217 S218 A219I186-E215 HydrophobicContact CB-CG 4.2Å; I186-E215 HydrophobicContact CG2-CG 4.47Å; I186-E215 PolarHBondContact N-OE1 3.49Å; T187-E215 PolarHBondContact N-OE1 2.93Å; T187-E215 VanDerWaalsContact OG1-CG 3.31Å; T187-E215 WeakPolarHBondContact OG1-CG 3.39Å; T187-E215 PolarHBondContact OG1-OE1 3.49Å; A211-E215 PolarHBondContact O-N 3.35Å; E212-E215 PolarHBondContact O-N 3.33Å; E215-A217 PolarHBondContact O-N 3.27Å; E215-S218 PolarHBondContact O-N 3.21Å; E215-A219 WeakPolarHBondContact O-CB 3.24Å; E215-A219 PolarHBondContact O-N 3.15Å
216A98.2Very high97.7Very high0 Ų034.9 Ų34.90%020%0.2CC..Hα-helixtrans-58.4-48.2178.600000112.2I186 V205 E212 G213 A219 G220 A221 V224I186-A216 HydrophobicContact CG2-CB 3.81Å; V205-A216 HydrophobicContact CB-CB 3.8Å; V205-A216 HydrophobicContact CG1-CB 3.93Å; V205-A216 HydrophobicContact CG2-CB 4.02Å; E212-A216 WeakPolarHBondContact O-CB 3.44Å; E212-A216 PolarHBondContact O-N 3.5Å; G213-A216 PolarHBondContact O-N 3.44Å; A216-A219 PolarHBondContact O-N 2.99Å; A216-G220 PolarHBondContact O-N 3.34Å; A216-A221 HydrophobicContact CB-CB 4.16Å; A216-A221 WeakPolarHBondContact O-CB 3.28Å; A216-A221 PolarHBondContact O-N 3.13Å; A216-V224 HydrophobicContact CB-CG2 3.85Å
217A98.3Very high97.7Very high11 Ų1135.4 Ų35.49%0.09120%0.203CC..Hα-helixtrans-61.5-45177.700000111.7G213 E215 A219 G220 F245 L248G213-A217 WeakPolarHBondContact O-CB 3.46Å; G213-A217 PolarHBondContact O-N 2.95Å; E215-A217 PolarHBondContact O-N 3.27Å; A217-A219 PolarHBondContact O-N 3.09Å; A217-G220 PolarHBondContact O-N 2.75Å; A217-F245 HydrophobicContact CB-CB 4.43Å; A217-F245 HydrophobicContact CB-CD1 3.91Å; A217-F245 HydrophobicContact CB-CD2 3.68Å; A217-F245 HydrophobicContact CB-CE1 4.05Å; A217-F245 HydrophobicContact CB-CE2 3.86Å; A217-F245 HydrophobicContact CB-CG 3.73Å; A217-F245 HydrophobicContact CB-CZ 4.03Å; A217-L248 HydrophobicContact CB-CD1 4.18Å; A217-L248 HydrophobicContact CB-CD2 3.73Å
218S98.3Very high97.5Very high83 Ų8340 Ų4058%0.5823%0.228SC*.Hα-helixtrans-63.2-31.5177.3-57.40000112.6R214 E215 G220 F245R214-S218 VanDerWaalsContact O-CB 3.3Å; R214-S218 WeakPolarHBondContact O-CB 3.44Å; R214-S218 PolarHBondContact O-N 3.4Å; R214-S218 PolarHBondContact O-OG 2.96Å; E215-S218 PolarHBondContact O-N 3.21Å; S218-G220 VanDerWaalsContact C-N 3.25Å; S218-G220 PolarHBondContact O-N 2.9Å; S218-F245 WeakPolarHBondContact OG-CZ 3.17Å
219A97.3Very high97.6Very high25 Ų2534.7 Ų34.721%0.20721%0.208CC..THydrogen-bonded Turntrans-77.7-7.4176.500000113.8T187 V190 E215 A216 A217T187-A219 HydrophobicContact CG2-CB 4.22Å; V190-A219 HydrophobicContact CB-CB 3.88Å; V190-A219 HydrophobicContact CG1-CB 3.98Å; V190-A219 VanDerWaalsContact CG1-O 3.23Å; V190-A219 WeakPolarHBondContact CG1-O 3.21Å; V190-A219 HydrophobicContact CG2-CB 4.18Å; E215-A219 WeakPolarHBondContact O-CB 3.24Å; E215-A219 PolarHBondContact O-N 3.15Å; A216-A219 PolarHBondContact O-N 2.99Å; A217-A219 PolarHBondContact O-N 3.09Å
220G96.6Very high97.6Very high35 Ų3538.8 Ų38.836%0.36122%0.223SC..THydrogen-bonded Turntrans94.428.4177.900000114.7R194 A216 A217 S218R194-G220 PolarHBondContact NH2-O 3.48Å; A216-G220 PolarHBondContact O-N 3.34Å; A217-G220 PolarHBondContact O-N 2.75Å; S218-G220 VanDerWaalsContact C-N 3.25Å; S218-G220 PolarHBondContact O-N 2.9Å
221A98Very high97.5Very high10 Ų1038.3 Ų38.38%0.08322%0.22CC..  trans-64.8140164.700000110.6V205 A216V205-A221 HydrophobicContact CG2-CB 3.71Å; A216-A221 HydrophobicContact CB-CB 4.16Å; A216-A221 WeakPolarHBondContact O-CB 3.28Å; A216-A221 PolarHBondContact O-N 3.13Å
222D98.4Very high97.5Very high56 Ų5643.5 Ų43.530%0.29923%0.234SC..SBendtrans-84.5-31.7177-57.5-79.7000111.3R194 K202 I203 Q249R194-D222 IonicContact CZ-OD2 3.7Å; R194-D222 IonicContact NH1-OD2 3.67Å; R194-D222 IonicContact NH2-OD1 2.73Å; R194-D222 IonicContact NH2-OD2 2.65Å; R194-D222 PolarHBondContact NH2-OD2 3.21Å; K202-D222 VanDerWaalsContact CA-OD2 3.24Å; K202-D222 WeakPolarHBondContact CA-OD2 3.06Å; K202-D222 HydrophobicContact CB-CB 4.01Å; K202-D222 HydrophobicContact CD-CB 4.32Å; K202-D222 HydrophobicContact CG-CB 4.05Å; I203-D222 PolarHBondContact N-OD2 3.21Å; I203-D222 PolarHBondContact O-N 2.91Å; D222-Q249 PolarHBondContact O-N 2.77Å; D222-Q249 VanDerWaalsContact O-N 3.14Å
223I98.7Very high97.5Very high7 Ų745.2 Ų45.24%0.03624%0.242CC..EExtended strand (participates in β ladder)trans-133132.7-178.3-54.5159.9000108.8M172 K202 I203 E204 V205 Q249 E251M172-I223 HydrophobicContact CE-CD1 4.24Å; M172-I223 HydrophobicContact SD-CD1 3.62Å; K202-I223 HydrophobicContact CD-CD1 4.03Å; I203-I223 PolarHBondContact O-N 2.64Å; E204-I223 VanDerWaalsContact CA-O 3.31Å; E204-I223 WeakPolarHBondContact CA-O 3.35Å; E204-I223 HydrophobicContact CB-CB 4.03Å; E204-I223 HydrophobicContact CB-CD1 4.44Å; E204-I223 HydrophobicContact CB-CG2 4.49Å; E204-I223 HydrophobicContact CG-CB 4.03Å; E204-I223 HydrophobicContact CG-CG2 3.96Å; V205-I223 PolarHBondContact N-O 3.33Å; I223-Q249 CarbonylContact C-O 3.44Å; I223-Q249 WeakPolarHBondContact CA-O 3.31Å; I223-Q249 HydrophobicContact CB-CB 4.4Å; I223-Q249 HydrophobicContact CG1-CB 3.91Å; I223-Q249 HydrophobicContact CG2-CB 4.35Å; I223-E251 HydrophobicContact CG2-CB 4.03Å
224V98.7Very high97.5Very high0 Ų045.2 Ų45.20%024%0.242CC..EExtended strand (participates in β ladder)trans-107.6118.9166.5163.90000108.5C207 A216 L226 L241 L248 Q249 I250 E251C207-V224 HydrophobicContact CB-CG1 4.19Å; A216-V224 HydrophobicContact CB-CG2 3.85Å; V224-L226 HydrophobicContact CG1-CD2 3.82Å; V224-L226 HydrophobicContact CG1-CG 4.2Å; V224-L241 HydrophobicContact CG1-CD1 4.18Å; V224-L248 HydrophobicContact CB-CD1 4.47Å; V224-L248 HydrophobicContact CB-CD2 4.2Å; V224-L248 HydrophobicContact CG2-CD1 4Å; V224-L248 HydrophobicContact CG2-CD2 3.99Å; V224-L248 HydrophobicContact CG2-CG 4.45Å; V224-Q249 PolarHBondContact N-O 2.78Å; V224-I250 HydrophobicContact CB-CD1 4.17Å; V224-I250 HydrophobicContact CG1-CD1 4.49Å; V224-I250 WeakPolarHBondContact O-CA 3.3Å; V224-E251 PolarHBondContact O-N 3.2Å
225M98.4Very high97.5Very high6 Ų643.4 Ų43.43%0.0324%0.237CC..EExtended strand (participates in β ladder)trans-90.8116.4170.8170.9-175.4-77.300109M174 E204 V205 E206 C207 D227 E251M174-M225 HydrophobicContact CE-CE 3.34Å; M174-M225 HydrophobicContact CE-SD 3.33Å; M174-M225 WeakPolarHBondContact CE-SD 3.33Å; E204-M225 HydrophobicContact CG-CB 4.35Å; E204-M225 WeakPolarHBondContact OE1-CE 2.98Å; V205-M225 PolarHBondContact O-N 3.39Å; E206-M225 HydrophobicContact CB-SD 4.45Å; E206-M225 HydrophobicContact CG-CG 4.48Å; E206-M225 HydrophobicContact CG-SD 4.06Å; C207-M225 PolarHBondContact N-O 3.11Å; M225-D227 PolarHBondContact O-N 3.35Å; M225-E251 CarbonylContact C-O 3.6Å; M225-E251 VanDerWaalsContact CA-O 3.29Å; M225-E251 WeakPolarHBondContact CA-O 3.49Å; M225-E251 HydrophobicContact CB-CB 4.18Å; M225-E251 HydrophobicContact CB-CG 4.46Å; M225-E251 HydrophobicContact CE-CG 3.92Å; M225-E251 WeakPolarHBondContact CE-OE1 3.39Å; M225-E251 HydrophobicContact CG-CG 4.37Å
226L98.1Very high97.5Very high1 Ų143.5 Ų43.51%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-88.3101.8172.5-62.3177000108.7C207 V224 F229 L234 A237 L241 I250 E251 S253C207-L226 HydrophobicContact CB-CD2 4.37Å; V224-L226 HydrophobicContact CG1-CD2 3.82Å; V224-L226 HydrophobicContact CG1-CG 4.2Å; L226-F229 HydrophobicContact CB-CD2 3.77Å; L226-F229 HydrophobicContact CB-CE2 3.97Å; L226-F229 HydrophobicContact CB-CG 4.12Å; L226-F229 HydrophobicContact CB-CZ 4.48Å; L226-F229 HydrophobicContact CD2-CE2 4.03Å; L226-F229 HydrophobicContact CD2-CZ 3.93Å; L226-L234 HydrophobicContact CB-CD1 3.77Å; L226-L234 HydrophobicContact CD1-CD1 3.66Å; L226-L234 HydrophobicContact CG-CD1 4.32Å; L226-A237 HydrophobicContact CD1-CB 3.83Å; L226-L241 HydrophobicContact CD1-CD1 4.41Å; L226-L241 HydrophobicContact CD2-CD1 4.22Å; L226-I250 HydrophobicContact CD1-CG2 3.94Å; L226-I250 HydrophobicContact CG-CG2 4.37Å; L226-E251 PolarHBondContact N-O 3.23Å; L226-S253 PolarHBondContact O-N 3.31Å
227D96.1Very high97.5Very high25 Ų2543.5 Ų43.513%0.13424%0.242CC..EExtended strand (participates in β ladder)trans-91.1127.9-171.6-176.345.9000112.4E206 C207 M225 F229E206-D227 HydrophobicContact CG-CB 3.69Å; C207-D227 PolarHBondContact O-N 2.73Å; M225-D227 PolarHBondContact O-N 3.35Å; D227-F229 PolarHBondContact O-N 3.07Å
228N93.9Very high97.5Very high97 Ų9743 Ų4352%0.51924%0.238SC..SBendtrans59.624.7178.8-59.9-65.7000115.4S253 G254N228-S253 PolarHBondContact N-O 3.17Å; N228-G254 VanDerWaalsContact OD1-CA 3.24Å; N228-G254 WeakPolarHBondContact OD1-CA 3.3Å
229F97.2Very high97.6Very high6 Ų644.1 Ų44.13%0.02623%0.229CC..  trans-69.9140.3171.4-83.4-118.3000111.1L226 D227 E233 L234 A237L226-F229 HydrophobicContact CB-CD2 3.77Å; L226-F229 HydrophobicContact CB-CE2 3.97Å; L226-F229 HydrophobicContact CB-CG 4.12Å; L226-F229 HydrophobicContact CB-CZ 4.48Å; L226-F229 HydrophobicContact CD2-CE2 4.03Å; L226-F229 HydrophobicContact CD2-CZ 3.93Å; D227-F229 PolarHBondContact O-N 3.07Å; F229-E233 HydrophobicContact CD1-CB 4.15Å; F229-E233 HydrophobicContact CD1-CG 3.68Å; F229-E233 HydrophobicContact CE1-CG 3.97Å; F229-L234 HydrophobicContact CB-CB 3.88Å; F229-L234 HydrophobicContact CB-CD1 4.36Å; F229-A237 HydrophobicContact CD1-CB 4.33Å; F229-A237 HydrophobicContact CE1-CB 3.86Å
230Q96.5Very high97.6Very high126 Ų12645.2 Ų45.259%0.58923%0.232SC*.  trans-70.5148.5166.9-64.7-57.4-51.100110.1Q232 E233 L234Q230-Q232 VanDerWaalsContact C-N 3.31Å; Q230-Q232 PolarHBondContact O-N 3.08Å; Q230-Q232 VanDerWaalsContact O-N 3.13Å; Q230-E233 PolarHBondContact O-N 2.82Å; Q230-L234 WeakPolarHBondContact O-CB 3.38Å; Q230-L234 PolarHBondContact O-N 3.04Å
231P96.4Very high97.7Very high24 Ų2443.5 Ų43.516%0.15621%0.214CC..Hα-helixtrans-52.4-42.8-173-29.834.3000115E233 L234 H235 S263 Y264P231-E233 PolarHBondContact O-N 3.21Å; P231-L234 WeakPolarHBondContact O-CB 3.28Å; P231-L234 PolarHBondContact O-N 3.29Å; P231-H235 PolarHBondContact O-CD2 2.98Å; P231-H235 PolarHBondContact O-N 3.1Å; P231-H235 PolarHBondContact O-NE2 3.41Å; P231-S263 WeakPolarHBondContact CB-O 3.47Å; P231-S263 VanDerWaalsContact CG-OG 3.32Å; P231-S263 WeakPolarHBondContact CG-OG 3.42Å; P231-Y264 HydrophobicContact CG-CD2 4.06Å; P231-Y264 HydrophobicContact CG-CE1 4.35Å; P231-Y264 HydrophobicContact CG-CE2 3.76Å; P231-Y264 HydrophobicContact CG-CG 4.47Å
232Q96.2Very high97.7Very high172 Ų17244.7 Ų44.780%0.80422%0.217SC*.Hα-helixtrans-64.2-42.9179.7-65.6174.4-3.400112.2Q230 H235 V236Q230-Q232 VanDerWaalsContact C-N 3.31Å; Q230-Q232 PolarHBondContact O-N 3.08Å; Q230-Q232 VanDerWaalsContact O-N 3.13Å; Q232-H235 PolarHBondContact O-N 2.78Å; Q232-V236 WeakPolarHBondContact O-CG2 3.45Å; Q232-V236 PolarHBondContact O-N 2.64Å
233E97.4Very high97.7Very high105 Ų10547.3 Ų47.349%0.49123%0.232SC..Hα-helixtrans-69-43.4178.2-169.9-175.3179.300111.1F229 Q230 P231 H235 V236 A237F229-E233 HydrophobicContact CD1-CB 4.15Å; F229-E233 HydrophobicContact CD1-CG 3.68Å; F229-E233 HydrophobicContact CE1-CG 3.97Å; Q230-E233 PolarHBondContact O-N 2.82Å; P231-E233 PolarHBondContact O-N 3.21Å; E233-H235 VanDerWaalsContact C-N 3.29Å; E233-H235 PolarHBondContact O-N 3.13Å; E233-V236 PolarHBondContact O-N 3.46Å; E233-A237 WeakPolarHBondContact O-CB 3.42Å; E233-A237 PolarHBondContact O-N 2.93Å
234L98.3Very high97.7Very high0 Ų051.3 Ų51.30%025%0.25CS..Hα-helixtrans-53.3-47.6174.6173.170.3000111.1L226 F229 Q230 P231 V236 A237 A238 A252 Y264 V269L226-L234 HydrophobicContact CB-CD1 3.77Å; L226-L234 HydrophobicContact CD1-CD1 3.66Å; L226-L234 HydrophobicContact CG-CD1 4.32Å; F229-L234 HydrophobicContact CB-CB 3.88Å; F229-L234 HydrophobicContact CB-CD1 4.36Å; Q230-L234 WeakPolarHBondContact O-CB 3.38Å; Q230-L234 PolarHBondContact O-N 3.04Å; P231-L234 WeakPolarHBondContact O-CB 3.28Å; P231-L234 PolarHBondContact O-N 3.29Å; L234-V236 VanDerWaalsContact C-N 3.32Å; L234-V236 PolarHBondContact O-N 2.86Å; L234-A237 PolarHBondContact O-N 3.24Å; L234-A238 WeakPolarHBondContact O-CB 3.47Å; L234-A238 PolarHBondContact O-N 3.28Å; L234-A252 HydrophobicContact CD1-CB 3.85Å; L234-A252 HydrophobicContact CD2-CB 3.55Å; L234-A252 HydrophobicContact CG-CB 4.35Å; L234-Y264 HydrophobicContact CD2-CD1 3.45Å; L234-Y264 VanDerWaalsContact CD2-CD1 3.45Å; L234-Y264 HydrophobicContact CD2-CE1 4.16Å; L234-Y264 HydrophobicContact CD2-CG 4.29Å; L234-V269 HydrophobicContact CD1-CG2 4.34Å; L234-V269 HydrophobicContact CD2-CG2 4.12Å; L234-V269 HydrophobicContact CG-CG2 4.02Å
235H98.4Very high97.7Very high55 Ų5553.5 Ų53.526%0.25526%0.26SS..Hα-helixtrans-66-37.8-175.4-66.3-171.2000111.7P231 Q232 E233 R239 S263 F265P231-H235 PolarHBondContact O-CD2 2.98Å; P231-H235 PolarHBondContact O-N 3.1Å; P231-H235 PolarHBondContact O-NE2 3.41Å; Q232-H235 PolarHBondContact O-N 2.78Å; E233-H235 VanDerWaalsContact C-N 3.29Å; E233-H235 PolarHBondContact O-N 3.13Å; H235-R239 VanDerWaalsContact O-CB 3.32Å; H235-R239 WeakPolarHBondContact O-CB 3.23Å; H235-R239 PolarHBondContact O-N 3.46Å; H235-R239 VanDerWaalsContact O-N 3.11Å; H235-S263 PolarHBondContact CE1-O 3.19Å; H235-S263 PolarHBondContact NE2-O 2.86Å; H235-F265 PolarHBondContact CE1-O 3.16Å
236V98.4Very high97.6Very high69 Ų6958.2 Ų58.242%0.41829%0.291SS..Hα-helixtrans-67-51.21751740000110.2Q232 E233 L234 A238 R239 D240Q232-V236 WeakPolarHBondContact O-CG2 3.45Å; Q232-V236 PolarHBondContact O-N 2.64Å; E233-V236 PolarHBondContact O-N 3.46Å; L234-V236 VanDerWaalsContact C-N 3.32Å; L234-V236 PolarHBondContact O-N 2.86Å; V236-A238 PolarHBondContact O-N 2.96Å; V236-R239 PolarHBondContact O-N 2.95Å; V236-D240 WeakPolarHBondContact O-CB 3.47Å; V236-D240 PolarHBondContact O-N 2.87Å
237A98.5Very high97.6Very high0 Ų063.7 Ų63.70%033%0.329CS..Hα-helixtrans-59.1-45.9179.800000112.2T210 L226 F229 E233 L234 D240 L241T210-A237 HydrophobicContact CG2-CB 4.16Å; T210-A237 VanDerWaalsContact OG1-CB 3.26Å; T210-A237 WeakPolarHBondContact OG1-CB 3.42Å; L226-A237 HydrophobicContact CD1-CB 3.83Å; F229-A237 HydrophobicContact CD1-CB 4.33Å; F229-A237 HydrophobicContact CE1-CB 3.86Å; E233-A237 WeakPolarHBondContact O-CB 3.42Å; E233-A237 PolarHBondContact O-N 2.93Å; L234-A237 PolarHBondContact O-N 3.24Å; A237-D240 PolarHBondContact O-N 2.71Å; A237-L241 WeakPolarHBondContact O-CB 3.41Å; A237-L241 VanDerWaalsContact O-CG 3.28Å; A237-L241 WeakPolarHBondContact O-CG 3.49Å; A237-L241 PolarHBondContact O-N 2.87Å
238A98.6Very high97.7Very high0 Ų062.8 Ų62.80%032%0.324CS..Hα-helixtrans-62-44.5178.300000112.1L234 V236 K242 I250 H268 V269L234-A238 WeakPolarHBondContact O-CB 3.47Å; L234-A238 PolarHBondContact O-N 3.28Å; V236-A238 PolarHBondContact O-N 2.96Å; A238-K242 VanDerWaalsContact O-CB 3.32Å; A238-K242 WeakPolarHBondContact O-CB 3.44Å; A238-K242 VanDerWaalsContact O-CG 3.26Å; A238-K242 WeakPolarHBondContact O-CG 3.31Å; A238-K242 PolarHBondContact O-N 2.88Å; A238-I250 HydrophobicContact CB-CB 4.5Å; A238-I250 HydrophobicContact CB-CG1 4.4Å; A238-I250 HydrophobicContact CB-CG2 3.89Å; A238-H268 HydrophobicContact CB-CB 3.92Å; A238-V269 HydrophobicContact CB-CG2 3.84Å
239R98.6Very high97.9Very high108 Ų10860.6 Ų60.641%0.40831%0.311SS..Hα-helixtrans-61.3-48.3176.3179.5-162.266.9-165-4111.2H235 V236 K242 N243H235-R239 VanDerWaalsContact O-CB 3.32Å; H235-R239 WeakPolarHBondContact O-CB 3.23Å; H235-R239 PolarHBondContact O-N 3.46Å; H235-R239 VanDerWaalsContact O-N 3.11Å; V236-R239 PolarHBondContact O-N 2.95Å; R239-K242 PolarHBondContact O-N 2.8Å; R239-N243 WeakPolarHBondContact O-CB 3.35Å; R239-N243 VanDerWaalsContact O-CG 3.23Å; R239-N243 PolarHBondContact O-N 3.48Å; R239-N243 PolarHBondContact O-ND2 3.36Å
240D98.5Very high98Very high47 Ų4760.3 Ų60.325%0.25131%0.31SS..Hα-helixtrans-64.4-43.8-176.6-64.5-7.1000110.5V236 A237 N243 E244V236-D240 WeakPolarHBondContact O-CB 3.47Å; V236-D240 PolarHBondContact O-N 2.87Å; A237-D240 PolarHBondContact O-N 2.71Å; D240-N243 PolarHBondContact O-N 3.45Å; D240-E244 PolarHBondContact O-N 3.35Å
241L98.6Very high98.1Very high0 Ų054.4 Ų54.40%028%0.282CS..Hα-helixtrans-63.3-42.2174.5-70.8171.1000112.8T210 R214 V224 L226 A237 N243 E244 F245 L248 I250T210-L241 HydrophobicContact CG2-CD2 4.47Å; T210-L241 HydrophobicContact CG2-CG 4.24Å; R214-L241 HydrophobicContact CB-CD2 4.15Å; V224-L241 HydrophobicContact CG1-CD1 4.18Å; L226-L241 HydrophobicContact CD1-CD1 4.41Å; L226-L241 HydrophobicContact CD2-CD1 4.22Å; A237-L241 WeakPolarHBondContact O-CB 3.41Å; A237-L241 VanDerWaalsContact O-CG 3.28Å; A237-L241 WeakPolarHBondContact O-CG 3.49Å; A237-L241 PolarHBondContact O-N 2.87Å; L241-N243 VanDerWaalsContact C-N 3.34Å; L241-N243 PolarHBondContact O-N 2.77Å; L241-E244 PolarHBondContact O-N 2.77Å; L241-F245 WeakPolarHBondContact O-CA 3.42Å; L241-F245 WeakPolarHBondContact O-CB 3.44Å; L241-F245 PolarHBondContact O-N 3.35Å; L241-L248 HydrophobicContact CB-CD2 4.23Å; L241-I250 HydrophobicContact CB-CD1 4.01Å; L241-I250 HydrophobicContact CD1-CD1 3.9Å
242K98.3Very high98.2Very high34 Ų3453.3 Ų53.315%0.14828%0.275CS..Hα-helixtrans-66.1-34.1176.8-77.9-76.5-165.3175.20112.8A238 R239 F245 P246 L248 I250 H268 D270A238-K242 VanDerWaalsContact O-CB 3.32Å; A238-K242 WeakPolarHBondContact O-CB 3.44Å; A238-K242 VanDerWaalsContact O-CG 3.26Å; A238-K242 WeakPolarHBondContact O-CG 3.31Å; A238-K242 PolarHBondContact O-N 2.88Å; R239-K242 PolarHBondContact O-N 2.8Å; K242-F245 CarbonylContact O-C 3.5Å; K242-P246 VanDerWaalsContact O-CA 3.23Å; K242-P246 WeakPolarHBondContact O-CA 3.31Å; K242-L248 WeakPolarHBondContact CD-O 3.49Å; K242-L248 WeakPolarHBondContact CE-O 3.38Å; K242-L248 PolarHBondContact NZ-O 3.48Å; K242-I250 HydrophobicContact CG-CG1 4.22Å; K242-H268 WeakPolarHBondContact CE-O 3.26Å; K242-H268 HydrophobicContact CG-CB 4.13Å; K242-D270 WeakPolarHBondContact CE-OD2 3.47Å; K242-D270 IonicContact NZ-OD1 3.28Å; K242-D270 PolarHBondContact NZ-OD1 2.74Å; K242-D270 IonicContact NZ-OD2 2.74Å; K242-D270 PolarHBondContact NZ-OD2 3.28Å
243N98.3Very high98.2Very high111 Ų11145.7 Ų45.759%0.59424%0.241SC*.Hα-helixtrans-67.1-38.6176.3-74.6-21.5000111.7R239 D240 L241R239-N243 WeakPolarHBondContact O-CB 3.35Å; R239-N243 VanDerWaalsContact O-CG 3.23Å; R239-N243 PolarHBondContact O-N 3.48Å; R239-N243 PolarHBondContact O-ND2 3.36Å; D240-N243 PolarHBondContact O-N 3.45Å; L241-N243 VanDerWaalsContact C-N 3.34Å; L241-N243 PolarHBondContact O-N 2.77Å
244E98.4Very high98Very high91 Ų9141.3 Ų41.343%0.42522%0.224SC..Hα-helixtrans-79.5-36.3177.6-67.1177.4-138.700112.4R214 D240 L241R214-E244 WeakPolarHBondContact CD-OE2 3.42Å; R214-E244 IonicContact CZ-OE1 3.5Å; R214-E244 IonicContact CZ-OE2 3.38Å; R214-E244 IonicContact NE-OE1 2.95Å; R214-E244 PolarHBondContact NE-OE1 3.08Å; R214-E244 IonicContact NE-OE2 2.71Å; R214-E244 PolarHBondContact NE-OE2 3.06Å; R214-E244 IonicContact NH2-OE1 2.72Å; R214-E244 PolarHBondContact NH2-OE1 3.17Å; R214-E244 IonicContact NH2-OE2 3.74Å; D240-E244 PolarHBondContact O-N 3.35Å; L241-E244 PolarHBondContact O-N 2.77Å
245F98.5Very high97.6Very high47 Ų4744 Ų4421%0.20625%0.252CS..  trans-130.879.8-175.9-52.9-86.1000110.9R214 A217 S218 L241 K242 S247 L248R214-F245 HydrophobicContact CG-CE2 4.03Å; R214-F245 HydrophobicContact CG-CZ 4.28Å; A217-F245 HydrophobicContact CB-CB 4.43Å; A217-F245 HydrophobicContact CB-CD1 3.91Å; A217-F245 HydrophobicContact CB-CD2 3.68Å; A217-F245 HydrophobicContact CB-CE1 4.05Å; A217-F245 HydrophobicContact CB-CE2 3.86Å; A217-F245 HydrophobicContact CB-CG 3.73Å; A217-F245 HydrophobicContact CB-CZ 4.03Å; S218-F245 WeakPolarHBondContact OG-CZ 3.17Å; L241-F245 WeakPolarHBondContact O-CA 3.42Å; L241-F245 WeakPolarHBondContact O-CB 3.44Å; L241-F245 PolarHBondContact O-N 3.35Å; K242-F245 CarbonylContact O-C 3.5Å; F245-S247 PolarHBondContact O-N 3.32Å; F245-S247 VanDerWaalsContact O-N 3.11Å; F245-L248 HydrophobicContact CB-CB 3.78Å; F245-L248 HydrophobicContact CB-CD2 4.26Å; F245-L248 VanDerWaalsContact O-CB 3.24Å; F245-L248 WeakPolarHBondContact O-CB 3.39Å; F245-L248 PolarHBondContact O-N 2.92Å
246P97.4Very high97.5Very high104 Ų10442 Ų4268%0.67524%0.243SC*.THydrogen-bonded Turntrans-60.7-26.8-171.8-27.536000115.8K242K242-P246 VanDerWaalsContact O-CA 3.23Å; K242-P246 WeakPolarHBondContact O-CA 3.31Å
247S97.2Very high97.4Very high117 Ų11740.9 Ų40.982%0.81824%0.237SC*.THydrogen-bonded Turntrans-87.3-9.6178.759.50000114.1F245F245-S247 PolarHBondContact O-N 3.32Å; F245-S247 VanDerWaalsContact O-N 3.11Å
248L98.5Very high97.3Very high6 Ų642.8 Ų42.83%0.03125%0.249CC..  trans-67.3134.1-178.4-17767.8000109.8A217 V224 L241 K242 F245 I250A217-L248 HydrophobicContact CB-CD1 4.18Å; A217-L248 HydrophobicContact CB-CD2 3.73Å; V224-L248 HydrophobicContact CB-CD1 4.47Å; V224-L248 HydrophobicContact CB-CD2 4.2Å; V224-L248 HydrophobicContact CG2-CD1 4Å; V224-L248 HydrophobicContact CG2-CD2 3.99Å; V224-L248 HydrophobicContact CG2-CG 4.45Å; L241-L248 HydrophobicContact CB-CD2 4.23Å; K242-L248 WeakPolarHBondContact CD-O 3.49Å; K242-L248 WeakPolarHBondContact CE-O 3.38Å; K242-L248 PolarHBondContact NZ-O 3.48Å; F245-L248 HydrophobicContact CB-CB 3.78Å; F245-L248 HydrophobicContact CB-CD2 4.26Å; F245-L248 VanDerWaalsContact O-CB 3.24Å; F245-L248 WeakPolarHBondContact O-CB 3.39Å; F245-L248 PolarHBondContact O-N 2.92Å; L248-I250 HydrophobicContact CD2-CD1 3.67Å; L248-I250 HydrophobicContact CG-CD1 4.06Å
249Q98.6Very high97.2Very high51 Ų5150.4 Ų50.424%0.23829%0.285CS..EExtended strand (participates in β ladder)trans-88137.7168.3-63.9-168-84.100110.3D222 I223 V224 D270D222-Q249 PolarHBondContact O-N 2.77Å; D222-Q249 VanDerWaalsContact O-N 3.14Å; I223-Q249 CarbonylContact C-O 3.44Å; I223-Q249 WeakPolarHBondContact CA-O 3.31Å; I223-Q249 HydrophobicContact CB-CB 4.4Å; I223-Q249 HydrophobicContact CG1-CB 3.91Å; I223-Q249 HydrophobicContact CG2-CB 4.35Å; V224-Q249 PolarHBondContact N-O 2.78Å; Q249-D270 VanDerWaalsContact CA-OD2 3.28Å; Q249-D270 WeakPolarHBondContact CA-OD2 3.26Å
250I98.8Very high97.1Very high0 Ų047.7 Ų47.70%028%0.278CS..EExtended strand (participates in β ladder)trans-109.4122176.5-56.9-60.9000109.3V224 L226 A238 L241 K242 L248 V269 D270 I271V224-I250 HydrophobicContact CB-CD1 4.17Å; V224-I250 HydrophobicContact CG1-CD1 4.49Å; V224-I250 WeakPolarHBondContact O-CA 3.3Å; L226-I250 HydrophobicContact CD1-CG2 3.94Å; L226-I250 HydrophobicContact CG-CG2 4.37Å; A238-I250 HydrophobicContact CB-CB 4.5Å; A238-I250 HydrophobicContact CB-CG1 4.4Å; A238-I250 HydrophobicContact CB-CG2 3.89Å; L241-I250 HydrophobicContact CB-CD1 4.01Å; L241-I250 HydrophobicContact CD1-CD1 3.9Å; K242-I250 HydrophobicContact CG-CG1 4.22Å; L248-I250 HydrophobicContact CD2-CD1 3.67Å; L248-I250 HydrophobicContact CG-CD1 4.06Å; I250-V269 HydrophobicContact CG2-CG2 4.48Å; I250-D270 PolarHBondContact N-OD2 2.94Å; I250-D270 PolarHBondContact O-N 2.93Å; I250-I271 PolarHBondContact O-N 3.25Å
251E98.8Very high97Very high1 Ų145.4 Ų45.41%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-104.7135.2170.8179.8163.9159.700110.2H165 E204 I223 V224 M225 L226 I271 S273H165-E251 IonicContact CD2-OE1 3.17Å; H165-E251 IonicContact CD2-OE2 3.97Å; H165-E251 PolarHBondContact CD2-OE2 2.8Å; H165-E251 IonicContact NE2-OE1 2.73Å; H165-E251 PolarHBondContact NE2-OE1 3.19Å; H165-E251 IonicContact NE2-OE2 3.69Å; H165-E251 PolarHBondContact NE2-OE2 2.65Å; E204-E251 VanDerWaalsContact OE1-CD 3.29Å; I223-E251 HydrophobicContact CG2-CB 4.03Å; V224-E251 PolarHBondContact O-N 3.2Å; M225-E251 CarbonylContact C-O 3.6Å; M225-E251 VanDerWaalsContact CA-O 3.29Å; M225-E251 WeakPolarHBondContact CA-O 3.49Å; M225-E251 HydrophobicContact CB-CB 4.18Å; M225-E251 HydrophobicContact CB-CG 4.46Å; M225-E251 HydrophobicContact CE-CG 3.92Å; M225-E251 WeakPolarHBondContact CE-OE1 3.39Å; M225-E251 HydrophobicContact CG-CG 4.37Å; L226-E251 PolarHBondContact N-O 3.23Å; E251-I271 CarbonylContact C-O 3.55Å; E251-I271 VanDerWaalsContact CA-O 3.3Å; E251-I271 WeakPolarHBondContact CA-O 3.45Å; E251-I271 HydrophobicContact CB-CB 3.93Å; E251-I271 HydrophobicContact CB-CD1 4.5Å; E251-I271 HydrophobicContact CB-CG2 4.31Å; E251-I271 HydrophobicContact CG-CB 3.94Å; E251-I271 HydrophobicContact CG-CG2 3.78Å; E251-S273 WeakPolarHBondContact OE1-CB 3.42Å; E251-S273 PolarHBondContact OE1-OG 2.72Å
252A98.3Very high97Very high1 Ų148 Ų481%0.00829%0.288CS..EExtended strand (participates in β ladder)trans-103.6132.7167.800000110L234 Y264 V269 I271 I272 S273L234-A252 HydrophobicContact CD1-CB 3.85Å; L234-A252 HydrophobicContact CD2-CB 3.55Å; L234-A252 HydrophobicContact CG-CB 4.35Å; A252-Y264 HydrophobicContact CB-CD1 4.17Å; A252-V269 HydrophobicContact CB-CG1 4.07Å; A252-I271 PolarHBondContact N-O 3.28Å; A252-I272 HydrophobicContact CB-CG1 4.28Å; A252-I272 WeakPolarHBondContact O-CA 3.38Å; A252-S273 PolarHBondContact O-N 2.97Å
253S96.3Very high97Very high12 Ų1249 Ų498%0.08430%0.299CS..EExtended strand (participates in β ladder)trans-146.8168.7176.4-150.90000111.6L226 N228 S273L226-S253 PolarHBondContact O-N 3.31Å; N228-S253 PolarHBondContact N-O 3.17Å; S253-S273 WeakPolarHBondContact CB-OG 3.24Å; S253-S273 PolarHBondContact OG-O 3.43Å; S253-S273 PolarHBondContact OG-OG 2.94Å
254G92.6Very high97Very high13 Ų1344.2 Ų44.213%0.13427%0.272CS..SBendtrans87.8125.1-179.700000113N228 V256N228-G254 VanDerWaalsContact OD1-CA 3.24Å; N228-G254 WeakPolarHBondContact OD1-CA 3.3Å; G254-V256 PolarHBondContact O-N 3.33Å
255G90.3Very high97Very high58 Ų5841.2 Ų41.260%0.59826%0.258SS*.SBendtrans65.81.3176.600000117.2N260G255-N260 PolarHBondContact O-ND2 3.31Å
256V96Very high96.9Very high11 Ų1139.7 Ų39.77%0.06725%0.254CS..  trans-76.6132.1179.7-165.50000111.1G254 N260 V261 Y264 I272 L274G254-V256 PolarHBondContact O-N 3.33Å; V256-N260 WeakPolarHBondContact CA-OD1 3.45Å; V256-V261 HydrophobicContact CG1-CB 4.01Å; V256-V261 HydrophobicContact CG1-CG2 3.96Å; V256-Y264 HydrophobicContact CG1-CD2 4.22Å; V256-Y264 HydrophobicContact CG1-CE2 4.44Å; V256-Y264 HydrophobicContact CG2-CD1 4.07Å; V256-Y264 HydrophobicContact CG2-CD2 4.38Å; V256-Y264 HydrophobicContact CG2-CE1 3.89Å; V256-Y264 HydrophobicContact CG2-CE2 4.18Å; V256-Y264 HydrophobicContact CG2-CG 4.35Å; V256-I272 HydrophobicContact CG1-CG2 3.88Å; V256-I272 HydrophobicContact CG2-CG2 4.29Å; V256-L274 HydrophobicContact CB-CD2 4.15Å; V256-L274 HydrophobicContact CB-CG 3.97Å; V256-L274 HydrophobicContact CG1-CD1 4.38Å; V256-L274 HydrophobicContact CG1-CD2 3.63Å; V256-L274 HydrophobicContact CG1-CG 3.76Å
257T96.3Very high96.9Very high46 Ų4639.8 Ų39.828%0.28226%0.256SS..  trans-131.4163.4-179.8800000110.7E259 N260 V261T257-E259 WeakPolarHBondContact CB-OE2 3.34Å; T257-E259 PolarHBondContact O-N 3.43Å; T257-E259 VanDerWaalsContact O-N 3.14Å; T257-E259 PolarHBondContact OG1-N 3.14Å; T257-E259 PolarHBondContact OG1-OE2 3.18Å; T257-N260 PolarHBondContact N-OD1 3.17Å; T257-N260 PolarHBondContact O-N 3.01Å; T257-N260 PolarHBondContact O-OD1 2.89Å; T257-N260 PolarHBondContact OG1-N 3.14Å; T257-V261 WeakPolarHBondContact O-CB 3.46Å; T257-V261 PolarHBondContact O-N 3.1Å
258P95.9Very high96.9Very high41 Ų4136.8 Ų36.827%0.26623%0.23SC..THydrogen-bonded Turntrans-56.4-29.1175.7-24.635.5000114L126L126-P258 HydrophobicContact CD2-CB 3.98Å; L126-P258 HydrophobicContact CD2-CG 4.24Å
259E96.2Very high96.9Very high159 Ų15936.7 Ų36.774%0.74323%0.229SC*.THydrogen-bonded Turntrans-77.9-32.7-178.5-56.670.6-147.800112.3T257T257-E259 WeakPolarHBondContact CB-OE2 3.34Å; T257-E259 PolarHBondContact O-N 3.43Å; T257-E259 VanDerWaalsContact O-N 3.14Å; T257-E259 PolarHBondContact OG1-N 3.14Å; T257-E259 PolarHBondContact OG1-OE2 3.18Å
260N96.9Very high96.9Very high51 Ų5136.2 Ų36.227%0.27323%0.228SC..THydrogen-bonded Turntrans-105.4-11.4-176.176.814.2000114.2G255 V256 T257 A262 S263G255-N260 PolarHBondContact O-ND2 3.31Å; V256-N260 WeakPolarHBondContact CA-OD1 3.45Å; T257-N260 PolarHBondContact N-OD1 3.17Å; T257-N260 PolarHBondContact O-N 3.01Å; T257-N260 PolarHBondContact O-OD1 2.89Å; T257-N260 PolarHBondContact OG1-N 3.14Å; N260-A262 PolarHBondContact O-N 2.89Å; N260-S263 WeakPolarHBondContact O-CB 3.29Å; N260-S263 PolarHBondContact O-N 3.38Å; N260-S263 PolarHBondContact O-OG 2.99Å
261V97.8Very high96.9Very high0 Ų036.9 Ų36.90%023%0.232CC..G310 helixtrans-52.8-35.4-172.568.10000113L126 T129 V256 T257 S263 Y264 F265 I272 L274L126-V261 HydrophobicContact CD2-CG1 4.02Å; T129-V261 HydrophobicContact CG2-CG1 4.07Å; V256-V261 HydrophobicContact CG1-CB 4.01Å; V256-V261 HydrophobicContact CG1-CG2 3.96Å; T257-V261 WeakPolarHBondContact O-CB 3.46Å; T257-V261 PolarHBondContact O-N 3.1Å; V261-S263 PolarHBondContact O-N 2.86Å; V261-Y264 WeakPolarHBondContact O-CB 3.39Å; V261-Y264 PolarHBondContact O-N 2.65Å; V261-F265 HydrophobicContact CG1-CZ 4.24Å; V261-F265 HydrophobicContact CG2-CE1 3.87Å; V261-F265 HydrophobicContact CG2-CZ 4.09Å; V261-I272 HydrophobicContact CG2-CG2 4.18Å; V261-L274 HydrophobicContact CB-CD2 4.44Å; V261-L274 HydrophobicContact CG2-CD1 4.39Å; V261-L274 HydrophobicContact CG2-CD2 4.31Å
262A97.8Very high96.9Very high54 Ų5436.9 Ų36.945%0.44623%0.231SC..G310 helixtrans-61.7-27.5-179.300000113.5T129 N260 Y264 F265T129-A262 HydrophobicContact CG2-CB 4.34Å; N260-A262 PolarHBondContact O-N 2.89Å; A262-Y264 VanDerWaalsContact C-N 3.27Å; A262-Y264 PolarHBondContact O-N 3.4Å; A262-F265 HydrophobicContact CB-CD2 4.18Å; A262-F265 HydrophobicContact CB-CE2 4Å; A262-F265 PolarHBondContact O-N 3.39Å
263S97.9Very high96.9Very high54 Ų5436.9 Ų36.938%0.37823%0.232SC..G310 helixtrans-70.6-23.1176.966.90000113.3P231 H235 N260 V261 F265P231-S263 WeakPolarHBondContact CB-O 3.47Å; P231-S263 VanDerWaalsContact CG-OG 3.32Å; P231-S263 WeakPolarHBondContact CG-OG 3.42Å; H235-S263 PolarHBondContact CE1-O 3.19Å; H235-S263 PolarHBondContact NE2-O 2.86Å; N260-S263 WeakPolarHBondContact O-CB 3.29Å; N260-S263 PolarHBondContact O-N 3.38Å; N260-S263 PolarHBondContact O-OG 2.99Å; V261-S263 PolarHBondContact O-N 2.86Å; S263-F265 VanDerWaalsContact C-N 3.35Å
264Y98.2Very high97Very high11 Ų1136.4 Ų36.44%0.04323%0.228CC..G310 helixtrans-85.8-7.3-179.9-71.6-103.2000112.9P231 L234 A252 V256 V261 A262 S266P231-Y264 HydrophobicContact CG-CD2 4.06Å; P231-Y264 HydrophobicContact CG-CE1 4.35Å; P231-Y264 HydrophobicContact CG-CE2 3.76Å; P231-Y264 HydrophobicContact CG-CG 4.47Å; L234-Y264 HydrophobicContact CD2-CD1 3.45Å; L234-Y264 VanDerWaalsContact CD2-CD1 3.45Å; L234-Y264 HydrophobicContact CD2-CE1 4.16Å; L234-Y264 HydrophobicContact CD2-CG 4.29Å; A252-Y264 HydrophobicContact CB-CD1 4.17Å; V256-Y264 HydrophobicContact CG1-CD2 4.22Å; V256-Y264 HydrophobicContact CG1-CE2 4.44Å; V256-Y264 HydrophobicContact CG2-CD1 4.07Å; V256-Y264 HydrophobicContact CG2-CD2 4.38Å; V256-Y264 HydrophobicContact CG2-CE1 3.89Å; V256-Y264 HydrophobicContact CG2-CE2 4.18Å; V256-Y264 HydrophobicContact CG2-CG 4.35Å; V261-Y264 WeakPolarHBondContact O-CB 3.39Å; V261-Y264 PolarHBondContact O-N 2.65Å; A262-Y264 VanDerWaalsContact C-N 3.27Å; A262-Y264 PolarHBondContact O-N 3.4Å; Y264-S266 PolarHBondContact O-N 3.02Å
265F98.1Very high97.1Very high28 Ų2836.2 Ų36.212%0.12323%0.226CC..  trans-70122.6178.9-62-27.7000110.9T129 A130 A133 W135 H235 V261 A262 S263 I272T129-F265 HydrophobicContact CG2-CE2 4.1Å; T129-F265 HydrophobicContact CG2-CZ 4.29Å; A130-F265 VanDerWaalsContact CA-CZ 3.48Å; A130-F265 HydrophobicContact CB-CE1 4.25Å; A130-F265 HydrophobicContact CB-CE2 4.48Å; A130-F265 HydrophobicContact CB-CZ 3.87Å; A133-F265 HydrophobicContact CB-CD2 3.45Å; A133-F265 VanDerWaalsContact CB-CD2 3.45Å; A133-F265 HydrophobicContact CB-CE2 3.7Å; W135-F265 HydrophobicContact CB-CB 3.98Å; W135-F265 HydrophobicContact CB-CD1 4.04Å; W135-F265 HydrophobicContact CB-CD2 4.14Å; W135-F265 HydrophobicContact CB-CG 3.8Å; W135-F265 HydrophobicContact CD2-CB 4.44Å; W135-F265 AromaticContact CD2-CD1 3.44Å; W135-F265 HydrophobicContact CD2-CD1 3.44Å; W135-F265 VanDerWaalsContact CD2-CD1 3.44Å; W135-F265 AromaticContact CD2-CE1 3.94Å; W135-F265 HydrophobicContact CD2-CE1 3.94Å; W135-F265 HydrophobicContact CD2-CG 4.09Å; W135-F265 AromaticContact CE3-CD1 3.52Å; W135-F265 HydrophobicContact CE3-CD1 3.52Å; W135-F265 AromaticContact CE3-CE1 3.49Å; W135-F265 HydrophobicContact CE3-CE1 3.49Å; W135-F265 VanDerWaalsContact CE3-CE1 3.49Å; W135-F265 HydrophobicContact CE3-CG 4.44Å; W135-F265 HydrophobicContact CE3-CZ 4.36Å; W135-F265 HydrophobicContact CG-CB 3.84Å; W135-F265 AromaticContact CG-CD1 3.69Å; W135-F265 HydrophobicContact CG-CD1 3.69Å; W135-F265 HydrophobicContact CG-CE1 4.44Å; W135-F265 AromaticContact CG-CG 3.81Å; W135-F265 HydrophobicContact CG-CG 3.81Å; W135-F265 HydrophobicContact CZ3-CD1 4.17Å; W135-F265 AromaticContact CZ3-CE1 3.95Å; W135-F265 HydrophobicContact CZ3-CE1 3.95Å; H235-F265 PolarHBondContact CE1-O 3.16Å; V261-F265 HydrophobicContact CG1-CZ 4.24Å; V261-F265 HydrophobicContact CG2-CE1 3.87Å; V261-F265 HydrophobicContact CG2-CZ 4.09Å; A262-F265 HydrophobicContact CB-CD2 4.18Å; A262-F265 HydrophobicContact CB-CE2 4Å; A262-F265 PolarHBondContact O-N 3.39Å; S263-F265 VanDerWaalsContact C-N 3.35Å; F265-I272 HydrophobicContact CD1-CD1 3.45Å; F265-I272 VanDerWaalsContact CD1-CD1 3.45Å; F265-I272 HydrophobicContact CE1-CD1 3.74Å
266S97.3Very high97.4Very high16 Ų1634.9 Ų34.911%0.11221%0.207CC..  trans-148.1149.6178.51710000109.6W135 Y264 H268 V269W135-S266 PolarHBondContact NE1-O 2.88Å; W135-S266 VanDerWaalsContact NE1-O 3.08Å; Y264-S266 PolarHBondContact O-N 3.02Å; S266-H268 PolarHBondContact O-N 3.22Å; S266-H268 PolarHBondContact OG-N 3.26Å; S266-V269 PolarHBondContact O-N 2.74Å
267S97.1Very high97.4Very high105 Ų10534.3 Ų34.373%0.73420%0.204SC*.THydrogen-bonded Turntrans-64.6-15175.360.70000113.6
268H98.3Very high97.4Very high55 Ų5532.8 Ų32.826%0.25520%0.195SC..THydrogen-bonded Turntrans-104.3-4.4-179.5-55.294000113.1A238 K242 S266A238-H268 HydrophobicContact CB-CB 3.92Å; K242-H268 WeakPolarHBondContact CE-O 3.26Å; K242-H268 HydrophobicContact CG-CB 4.13Å; S266-H268 PolarHBondContact O-N 3.22Å; S266-H268 PolarHBondContact OG-N 3.26Å
269V98.4Very high97.5Very high3 Ų336 Ų362%0.01821%0.206CC..  trans-103.1118.5175.9176.30000107.8W135 L234 A238 I250 A252 S266 I271 I272W135-V269 HydrophobicContact CZ2-CG1 4.35Å; W135-V269 WeakPolarHBondContact CZ2-O 3.41Å; W135-V269 PolarHBondContact NE1-O 2.99Å; W135-V269 VanDerWaalsContact NE1-O 3.08Å; L234-V269 HydrophobicContact CD1-CG2 4.34Å; L234-V269 HydrophobicContact CD2-CG2 4.12Å; L234-V269 HydrophobicContact CG-CG2 4.02Å; A238-V269 HydrophobicContact CB-CG2 3.84Å; I250-V269 HydrophobicContact CG2-CG2 4.48Å; A252-V269 HydrophobicContact CB-CG1 4.07Å; S266-V269 PolarHBondContact O-N 2.74Å; V269-I271 WeakPolarHBondContact CG1-O 3.34Å; V269-I272 HydrophobicContact CG1-CD1 4.46Å; V269-I272 HydrophobicContact CG1-CG1 3.85Å
270D98.6Very high97.3Very high41 Ų4132 Ų3222%0.21921%0.207CC..  trans-92.8-30.8-174.4-51.5-79.9000112.1G137 E138 K242 Q249 I250G137-D270 CarbonylContact C-O 3.59Å; G137-D270 WeakPolarHBondContact CA-O 3.23Å; E138-D270 PolarHBondContact N-O 2.94Å; K242-D270 WeakPolarHBondContact CE-OD2 3.47Å; K242-D270 IonicContact NZ-OD1 3.28Å; K242-D270 PolarHBondContact NZ-OD1 2.74Å; K242-D270 IonicContact NZ-OD2 2.74Å; K242-D270 PolarHBondContact NZ-OD2 3.28Å; Q249-D270 VanDerWaalsContact CA-OD2 3.28Å; Q249-D270 WeakPolarHBondContact CA-OD2 3.26Å; I250-D270 PolarHBondContact N-OD2 2.94Å; I250-D270 PolarHBondContact O-N 2.93Å
271I98.8Very high97.3Very high15 Ų1530.6 Ų30.68%0.07720%0.201CC..EExtended strand (participates in β ladder)trans-134.4138-174.5-54.9162.2000108.9E138 A140 I250 E251 A252 V269E138-I271 WeakPolarHBondContact O-CA 3.32Å; A140-I271 HydrophobicContact CB-CG2 3.81Å; I250-I271 PolarHBondContact O-N 3.25Å; E251-I271 CarbonylContact C-O 3.55Å; E251-I271 VanDerWaalsContact CA-O 3.3Å; E251-I271 WeakPolarHBondContact CA-O 3.45Å; E251-I271 HydrophobicContact CB-CB 3.93Å; E251-I271 HydrophobicContact CB-CD1 4.5Å; E251-I271 HydrophobicContact CB-CG2 4.31Å; E251-I271 HydrophobicContact CG-CB 3.94Å; E251-I271 HydrophobicContact CG-CG2 3.78Å; A252-I271 PolarHBondContact N-O 3.28Å; V269-I271 WeakPolarHBondContact CG1-O 3.34Å
272I98.6Very high97.2Very high0 Ų034.7 Ų34.70%023%0.228CC..EExtended strand (participates in β ladder)trans-126.5114.3168.1-60.5168.9000107.5W135 E138 A140 A252 V256 V261 F265 V269 L274W135-I272 HydrophobicContact CH2-CB 4.01Å; W135-I272 HydrophobicContact CH2-CD1 3.63Å; W135-I272 HydrophobicContact CH2-CG1 3.6Å; W135-I272 HydrophobicContact CZ2-CD1 3.67Å; W135-I272 HydrophobicContact CZ2-CG1 3.74Å; W135-I272 HydrophobicContact CZ3-CD1 4.08Å; W135-I272 HydrophobicContact CZ3-CG1 4.42Å; E138-I272 PolarHBondContact O-N 2.88Å; A140-I272 PolarHBondContact N-O 2.68Å; A252-I272 HydrophobicContact CB-CG1 4.28Å; A252-I272 WeakPolarHBondContact O-CA 3.38Å; V256-I272 HydrophobicContact CG1-CG2 3.88Å; V256-I272 HydrophobicContact CG2-CG2 4.29Å; V261-I272 HydrophobicContact CG2-CG2 4.18Å; F265-I272 HydrophobicContact CD1-CD1 3.45Å; F265-I272 VanDerWaalsContact CD1-CD1 3.45Å; F265-I272 HydrophobicContact CE1-CD1 3.74Å; V269-I272 HydrophobicContact CG1-CD1 4.46Å; V269-I272 HydrophobicContact CG1-CG1 3.85Å; I272-L274 HydrophobicContact CG2-CD1 3.9Å; I272-L274 WeakPolarHBondContact O-CD1 3.48Å
273S98Very high97.2Very high2 Ų235.9 Ų35.91%0.01423%0.23CC..EExtended strand (participates in β ladder)trans-101.8133.2-179.9660000113A140 E251 A252 S253A140-S273 VanDerWaalsContact O-CA 3.28Å; A140-S273 WeakPolarHBondContact O-CA 3.43Å; E251-S273 WeakPolarHBondContact OE1-CB 3.42Å; E251-S273 PolarHBondContact OE1-OG 2.72Å; A252-S273 PolarHBondContact O-N 2.97Å; S253-S273 WeakPolarHBondContact CB-OG 3.24Å; S253-S273 PolarHBondContact OG-O 3.43Å; S253-S273 PolarHBondContact OG-OG 2.94Å
274L97.1Very high97.2Very high1 Ų133.5 Ų33.51%0.00521%0.213CC..  trans-123.5115.2-175.5-62.290.7000110.5L126 V139 A140 V256 V261 I272 C276 I277L126-L274 HydrophobicContact CD1-CD2 4.31Å; L126-L274 HydrophobicContact CD2-CD2 4.13Å; V139-L274 HydrophobicContact CG1-CD1 3.92Å; A140-L274 PolarHBondContact O-N 3.33Å; V256-L274 HydrophobicContact CB-CD2 4.15Å; V256-L274 HydrophobicContact CB-CG 3.97Å; V256-L274 HydrophobicContact CG1-CD1 4.38Å; V256-L274 HydrophobicContact CG1-CD2 3.63Å; V256-L274 HydrophobicContact CG1-CG 3.76Å; V261-L274 HydrophobicContact CB-CD2 4.44Å; V261-L274 HydrophobicContact CG2-CD1 4.39Å; V261-L274 HydrophobicContact CG2-CD2 4.31Å; I272-L274 HydrophobicContact CG2-CD1 3.9Å; I272-L274 WeakPolarHBondContact O-CD1 3.48Å; L274-C276 PolarHBondContact O-N 3.38Å; L274-I277 HydrophobicContact CB-CD1 4.15Å; L274-I277 HydrophobicContact CB-CG1 4.05Å; L274-I277 PolarHBondContact O-N 2.82Å
275G95.9Very high97.2Very high10 Ų1036.6 Ų36.610%0.10323%0.23CC..G310 helixtrans-62.9-31173.300000113I277 T278 Q279G275-I277 PolarHBondContact O-N 3.36Å; G275-T278 PolarHBondContact O-N 2.9Å; G275-T278 PolarHBondContact O-OG1 2.86Å; G275-Q279 PolarHBondContact O-N 3.42Å
276C95.4Very high97.3Very high29 Ų2935.8 Ų35.820%0.19623%0.226CC..G310 helixtrans-70.4-7.9180650000113.3R122 L274 T278 Q279R122-C276 WeakPolarHBondContact CD-O 3.49Å; R122-C276 PolarHBondContact NH1-O 3.42Å; L274-C276 PolarHBondContact O-N 3.38Å; C276-T278 PolarHBondContact O-N 3.42Å; C276-Q279 WeakPolarHBondContact CA-O 3.28Å
277I97Very high97.3Very high0 Ų035.5 Ų35.50%022%0.224CC..G310 helixtrans-56.6-37170.5-75.5173.6000110.8I119 C123 L126 V139 A140 M157 L274 G275 C281I119-I277 HydrophobicContact CG2-CG2 4.03Å; C123-I277 WeakPolarHBondContact SG-CG2 3.26Å; L126-I277 HydrophobicContact CD1-CD1 3.81Å; L126-I277 HydrophobicContact CD1-CG1 3.57Å; V139-I277 HydrophobicContact CG1-CD1 4.12Å; A140-I277 WeakPolarHBondContact O-CD1 3.17Å; M157-I277 HydrophobicContact CE-CG2 3.91Å; M157-I277 HydrophobicContact CG-CG2 3.96Å; L274-I277 HydrophobicContact CB-CD1 4.15Å; L274-I277 HydrophobicContact CB-CG1 4.05Å; L274-I277 PolarHBondContact O-N 2.82Å; G275-I277 PolarHBondContact O-N 3.36Å; I277-C281 WeakPolarHBondContact O-CB 3.4Å
278T97.3Very high97.4Very high13 Ų1330.8 Ų30.88%0.0819%0.191CC..THydrogen-bonded Turntrans-108.4-43.9178.145.70000112.5I119 K144 T145 E153 M157 G275 C276 G280I119-T278 HydrophobicContact CD1-CG2 4.22Å; K144-T278 PolarHBondContact O-OG1 3.09Å; T145-T278 HydrophobicContact CG2-CG2 4.39Å; E153-T278 HydrophobicContact CB-CG2 3.97Å; E153-T278 HydrophobicContact CG-CG2 4.46Å; M157-T278 HydrophobicContact CE-CG2 3.23Å; G275-T278 PolarHBondContact O-N 2.9Å; G275-T278 PolarHBondContact O-OG1 2.86Å; C276-T278 PolarHBondContact O-N 3.42Å; T278-G280 PolarHBondContact O-N 2.98Å
279Q96.4Very high97.3Very high109 Ų10933.4 Ų33.451%0.50920%0.202SC..THydrogen-bonded Turntrans-74.1123.5-178.1-64.1-173.8-61.200111.3K144 G275 C276 C281K144-Q279 HydrophobicContact CB-CG 3.91Å; K144-Q279 WeakPolarHBondContact O-CG 3.45Å; G275-Q279 PolarHBondContact O-N 3.42Å; C276-Q279 WeakPolarHBondContact CA-O 3.28Å; Q279-C281 PolarHBondContact O-N 2.68Å
280G92.4Very high97.1Very high74 Ų7436.3 Ų36.376%0.76322%0.219SC*.THydrogen-bonded Turntrans63.826.918000000113.2R122 T278 P282R122-G280 PolarHBondContact NH1-O 3.38Å; T278-G280 PolarHBondContact O-N 2.98Å; G280-P282 WeakPolarHBondContact O-CD 3.47Å
281C96.5Very high96.7Very high23 Ų2337.8 Ų37.816%0.15523%0.225CC..PPolyproline II helixtrans-75.4124.5172.3-169.30000110.6I119 R122 I277 Q279I119-C281 HydrophobicContact CG1-CB 4.24Å; R122-C281 VanDerWaalsContact NH1-CA 3.3Å; I277-C281 WeakPolarHBondContact O-CB 3.4Å; Q279-C281 PolarHBondContact O-N 2.68Å
282P96.6Very high95.5Very high85 Ų8545.3 Ų45.355%0.55226%0.257SS*.PPolyproline II helixtrans-56.4147.2168.7-23.733.4000110.7G118 G280G118-P282 WeakPolarHBondContact CA-O 3.14Å; G280-P282 WeakPolarHBondContact O-CD 3.47Å
283V97.9Very high93.8Very high80 Ų8051.8 Ų51.849%0.48530%0.299SS..PPolyproline II helixtrans-90.8153.4173.5-58.90000110.1R115R115-V283 HydrophobicContact CG-CG1 3.8Å
284S98.1Very high91.8Very high4 Ų455.5 Ų55.53%0.02834%0.338CS..PPolyproline II helixtrans-80.6135166.7-65.20000110T55 S114 F286T55-S284 WeakPolarHBondContact CG2-OG 3.32Å; T55-S284 PolarHBondContact OG1-OG 3.34Å; S114-S284 WeakPolarHBondContact CA-O 3.38Å; S114-S284 WeakPolarHBondContact CB-O 3.11Å; S114-S284 PolarHBondContact O-N 3.16Å; S114-S284 PolarHBondContact OG-O 3.41Å; S284-F286 PolarHBondContact O-N 3.29Å
285D98.2Very high89.8Confident75 Ų7558.9 Ų58.940%0.40137%0.366SS..  trans-77.6113.7179.3-177.50.4000110.3K51 T52K51-D285 HydrophobicContact CB-CB 4.13Å; K51-D285 WeakPolarHBondContact CD-OD2 3.4Å; K51-D285 PolarHBondContact N-O 2.95Å; K51-D285 IonicContact NZ-OD1 2.64Å; T52-D285 PolarHBondContact OG1-N 3.37Å
286F98.6Very high87.2Confident11 Ų1164.9 Ų64.95%0.04840%0.396CS..EExtended strand (participates in β ladder)trans-119.5146.5171.8-72.5-89.6000110.5L48 L49 C50 T55 L57 I84 T92 L110 L113 S284L48-F286 HydrophobicContact CD1-CB 4.2Å; L48-F286 HydrophobicContact CD1-CD1 4.07Å; L48-F286 HydrophobicContact CD2-CD1 4.43Å; L48-F286 HydrophobicContact CG-CD1 4.16Å; L49-F286 CarbonylContact O-C 3.55Å; L49-F286 VanDerWaalsContact O-CA 3.24Å; L49-F286 WeakPolarHBondContact O-CA 3.41Å; C50-F286 HydrophobicContact CB-CD1 3.89Å; C50-F286 HydrophobicContact CB-CE1 3.51Å; C50-F286 HydrophobicContact CB-CZ 4.15Å; T55-F286 HydrophobicContact CG2-CE2 4.23Å; T55-F286 HydrophobicContact CG2-CZ 4.04Å; L57-F286 HydrophobicContact CD1-CZ 4.36Å; I84-F286 HydrophobicContact CD1-CE1 4.24Å; I84-F286 HydrophobicContact CD1-CZ 4.13Å; T92-F286 HydrophobicContact CG2-CE1 4.46Å; L110-F286 HydrophobicContact CD2-CB 3.83Å; L113-F286 HydrophobicContact CD2-CD1 3.88Å; L113-F286 HydrophobicContact CD2-CD2 4.21Å; L113-F286 HydrophobicContact CD2-CE1 3.88Å; L113-F286 HydrophobicContact CD2-CE2 4.23Å; L113-F286 HydrophobicContact CD2-CG 4.04Å; L113-F286 HydrophobicContact CD2-CZ 4.07Å; L113-F286 HydrophobicContact CG-CD2 4.34Å; L113-F286 HydrophobicContact CG-CE2 4.17Å; L113-F286 HydrophobicContact CG-CZ 4.3Å; S284-F286 PolarHBondContact O-N 3.29Å
287S98.3Very high84.7Confident10 Ų1073.6 Ų73.67%0.0743%0.43CS..EExtended strand (participates in β ladder)trans-138.7147.9168.467.80000111.8L49 K51L49-S287 PolarHBondContact N-O 3.37Å; L49-S287 PolarHBondContact O-N 3.11Å; K51-S287 WeakPolarHBondContact CE-OG 3.32Å; K51-S287 PolarHBondContact NZ-OG 3.48Å
288L98.3Very high82Confident7 Ų779.1 Ų79.14%0.03746%0.459CS..EExtended strand (participates in β ladder)trans-103130.2173.5-164.561.3000109.1A46 L48 F67 V95 L102 E106 L110A46-L288 HydrophobicContact CB-CD1 3.81Å; A46-L288 HydrophobicContact CB-CD2 4.34Å; A46-L288 HydrophobicContact CB-CG 3.72Å; L48-L288 HydrophobicContact CB-CD1 4.1Å; L48-L288 HydrophobicContact CD1-CD1 4.5Å; F67-L288 HydrophobicContact CE1-CD2 4.29Å; F67-L288 HydrophobicContact CE2-CD2 4.47Å; F67-L288 HydrophobicContact CZ-CD2 3.62Å; V95-L288 HydrophobicContact CB-CD1 4.43Å; V95-L288 HydrophobicContact CG2-CD1 3.93Å; L102-L288 HydrophobicContact CD2-CD2 3.65Å; L102-L288 HydrophobicContact CD2-CG 4.31Å; L102-L288 HydrophobicContact CG-CD2 4.39Å; E106-L288 HydrophobicContact CB-CD2 4.2Å; E106-L288 HydrophobicContact CG-CB 3.99Å; E106-L288 HydrophobicContact CG-CD2 4.08Å; L110-L288 HydrophobicContact CD1-CB 4.2Å; L110-L288 HydrophobicContact CD2-CB 4.45Å
289K97.6Very high79.5Confident110 Ų11085.7 Ų85.748%0.47849%0.494SS..EExtended strand (participates in β ladder)trans-126.9105.4-176.1-65.5-62.1180-169.10111.6A46 K47 L49 Q291A46-K289 CarbonylContact C-O 3.57Å; A46-K289 VanDerWaalsContact CA-O 3.27Å; A46-K289 WeakPolarHBondContact CA-O 3.47Å; K47-K289 PolarHBondContact N-O 2.87Å; K47-K289 PolarHBondContact O-N 2.84Å; L49-K289 HydrophobicContact CD1-CB 4.38Å; L49-K289 HydrophobicContact CD1-CG 3.68Å; L49-K289 HydrophobicContact CG-CG 4.41Å; K289-Q291 PolarHBondContact O-N 2.9Å; K289-Q291 PolarHBondContact O-NE2 3.18Å
290V94.6Very high77.1Confident64 Ų6490.7 Ų90.739%0.38851%0.508SS..EExtended strand (participates in β ladder)trans-57.6130.6169.5-177.90000109.3V44 E45 A46 L102 L103V44-V290 HydrophobicContact CB-CG1 4.13Å; V44-V290 HydrophobicContact CG1-CG1 4.42Å; V44-V290 HydrophobicContact CG2-CG1 4.43Å; E45-V290 WeakPolarHBondContact O-CA 3.49Å; A46-V290 HydrophobicContact CB-CG2 4.16Å; L102-V290 HydrophobicContact CD2-CG2 4.13Å; L103-V290 HydrophobicContact CD2-CG2 4.05Å
291Q88.2Confident74.6Confident72 Ų7296.7 Ų96.734%0.33651%0.508SS..PPolyproline II helixtrans-74.5133.9179.3-59.2-58.9-81.700110.2E45 K289E45-Q291 PolarHBondContact O-N 2.83Å; K289-Q291 PolarHBondContact O-N 2.9Å; K289-Q291 PolarHBondContact O-NE2 3.18Å
292K75.4Confident72.1Confident172 Ų172100.2 Ų100.275%0.74853%0.531SS*.PPolyproline II helixtrans-68.4133.1176-69.8-176.8179.9-179.90110G294 A295K292-G294 PolarHBondContact O-N 3Å; K292-A295 HydrophobicContact CB-CB 4.21Å; K292-A295 PolarHBondContact O-N 3.5Å
293P62.3Low69.4Low136 Ų136101.4 Ų101.488%0.88354%0.541SS*.THydrogen-bonded Turntrans-54.8131170.9-22.632.2000110.7A295P293-A295 VanDerWaalsContact C-N 3.31Å; P293-A295 PolarHBondContact O-N 3.44Å
294G56.6Low66.4Low81 Ų81102.5 Ų102.584%0.83555%0.55SS*.THydrogen-bonded Turntrans781.1177.500000116.4K292 N296K292-G294 PolarHBondContact O-N 3Å; G294-N296 PolarHBondContact O-N 3.47Å; G294-N296 VanDerWaalsContact O-N 3.13Å
295A54.4Low63.7Low71 Ų71108.1 Ų108.159%0.58759%0.586SS**  trans-69.4109.116500000108.1K292 P293K292-A295 HydrophobicContact CB-CB 4.21Å; K292-A295 PolarHBondContact O-N 3.5Å; P293-A295 VanDerWaalsContact C-N 3.31Å; P293-A295 PolarHBondContact O-N 3.44Å
296N41.8Very low60.9Low136 Ų136111.6 Ų111.673%0.72760%0.604SS**  trans-39142.1-177.8-90.4-24.4000113.2G294 L298G294-N296 PolarHBondContact O-N 3.47Å; G294-N296 VanDerWaalsContact O-N 3.13Å; N296-L298 HydrophobicContact CB-CD1 3.66Å; N296-L298 PolarHBondContact O-N 3.19Å
297K43.2Very low57.9Low213 Ų213119.8 Ų119.893%0.92664%0.642SS**  trans-62.548.3164.3-65.9-178.5176179.90111.7N299K297-N299 PolarHBondContact O-N 2.65Å; K297-N299 VanDerWaalsContact O-N 3.16Å
298L39.8Very low55.1Low115 Ų115128.3 Ų128.360%0.60268%0.678SS**  trans-75.7103.8172.9-110.487000108N296 W300N296-L298 HydrophobicContact CB-CD1 3.66Å; N296-L298 PolarHBondContact O-N 3.19Å; L298-W300 PolarHBondContact O-N 2.92Å; L298-W300 PolarHBondContact O-NE1 3.04Å; L298-W300 VanDerWaalsContact O-NE1 3.08Å
299N45.4Very low52.5Low152 Ų152139 Ų13981%0.81374%0.736SS**  trans27.884.9146.9-60.1-12.1000117.1K297K297-N299 PolarHBondContact O-N 2.65Å; K297-N299 VanDerWaalsContact O-N 3.16Å
300W45.9Very low50.3Low213 Ų213140.5 Ų140.581%0.80775%0.749SS**  trans-129.114.7162-5998.6000112.6L298L298-W300 PolarHBondContact O-N 2.92Å; L298-W300 PolarHBondContact O-NE1 3.04Å; L298-W300 VanDerWaalsContact O-NE1 3.08Å
301W39.9Very low47.9Very low200 Ų200144.5 Ų144.576%0.75877%0.768SS**SBendtrans-83.7129.9171.3-167.3-95.7000108.4S303W301-S303 PolarHBondContact O-N 3.25Å
302P42.3Very low45.7Very low98 Ų98148.5 Ų148.564%0.63679%0.791SS**PPolyproline II helixtrans-61.8126.8172.224.8-30.4000108.7
303S39.6Very low44Very low109 Ų109147.1 Ų147.176%0.76279%0.794SS**PPolyproline II helixtrans-50.6140174.6-57.30000110W301W301-S303 PolarHBondContact O-N 3.25Å
304P36.6Very low42.8Very low104 Ų104147.8 Ų147.868%0.67579%0.788SS**PPolyproline II helixtrans-57.3149.317523.8-31.2000110L306P304-L306 PolarHBondContact O-N 3.35Å
305P41.1Very low41.9Very low122 Ų122152.3 Ų152.379%0.79279%0.785SS**PPolyproline II helixtrans-57.9131.7-179.823.2-31.5000109.5Q307P305-Q307 PolarHBondContact O-N 3.13Å; P305-Q307 VanDerWaalsContact O-N 3.08Å
306L38.3Very low41Very low148 Ų148158.1 Ų158.178%0.77580%0.8SS**PPolyproline II helixtrans-50.9116.8172.1-79.6153.7000108.4P304 F308P304-L306 PolarHBondContact O-N 3.35Å; L306-F308 PolarHBondContact O-N 3.02Å
307Q36.3Very low41Very low183 Ų183159.8 Ų159.886%0.85581%0.805SS**PPolyproline II helixtrans-63.1116.6162.5-76.3177.5-25.300106.4P305P305-Q307 PolarHBondContact O-N 3.13Å; P305-Q307 VanDerWaalsContact O-N 3.08Å
308F39.4Very low40.8Very low188 Ų188155.3 Ų155.383%0.82580%0.795SS**PPolyproline II helixtrans-81.8118.3164.3-70.2-84.2000106.6L306L306-F308 PolarHBondContact O-N 3.02Å
309D44.6Very low40.9Very low232 Ų232159 Ų159100%1.24181%0.813SS**  trans-64.30162.4-72.9-29.4000110.8

Retrieved 309 of 309 residues in 96.2 ms (Link to these results)

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