A0A3Q0KVA6_SCHMA Loading...

Proteasome subunit alpha type-6

The proteasome is a multicatalytic proteinase complex which is characterized by its ability to cleave peptides with Arg, Phe, Tyr, Leu, and Glu adjacent to the leaving group at neutral or slightly basic pH. The proteasome has an ATP-dependent proteolytic activity.

AlphaFold DB , UniProt , Accession A0A3Q0KVA6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 248 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
1M41.7Very low66Low243 Ų24399.7 Ų99.7100%1.19760%0.598SS**  0114.10-79.7174.9179.600107S3M1-S3 PolarHBondContact O-N 3.38Å
2M45.2Very low68Low197 Ų19798 Ų9897%0.9757%0.573SS**  trans-73116.2164.6-68.1-175.5-175.700105.9A4M2-A4 PolarHBondContact O-N 3.46Å; M2-A4 VanDerWaalsContact O-N 3.16Å
3S58.4Low69.8Low61 Ų61102.2 Ų102.243%0.42758%0.58SS.*  trans-66.3115.8173.356.70000107.6M1 E20M1-S3 PolarHBondContact O-N 3.38Å; S3-E20 WeakPolarHBondContact OG-CG 3.3Å; S3-E20 PolarHBondContact OG-OE1 3.01Å
4A59.6Low71.2Confident76 Ų7699.9 Ų99.963%0.62856%0.564SS**  trans-65.6141.4170.600000108.4M2 T6M2-A4 PolarHBondContact O-N 3.46Å; M2-A4 VanDerWaalsContact O-N 3.16Å; A4-T6 VanDerWaalsContact C-N 3.27Å; A4-T6 PolarHBondContact O-N 3.48Å; A4-T6 PolarHBondContact O-OG1 3.24Å
5S61.5Low72.6Confident79 Ų7994.1 Ų94.155%0.55253%0.531SS*.  trans-57.282.6-173.164.30000112.2
6T61.5Low74Confident97 Ų9792.5 Ų92.560%0.59552%0.52SS*.  trans-102.6113.4179.8-44.10000105.4A4 S8A4-T6 VanDerWaalsContact C-N 3.27Å; A4-T6 PolarHBondContact O-N 3.48Å; A4-T6 PolarHBondContact O-OG1 3.24Å; T6-S8 PolarHBondContact O-N 3.32Å
7P66.4Low75.2Confident84 Ų8495.9 Ų95.955%0.54553%0.528SS..  trans-52.6119.6179.5-20.429.4000109.3
8S70.8Confident76.2Confident63 Ų6391 Ų9144%0.44150%0.502SS..  trans-113.6100.6-175.4155.50000108.4T6 F10 D11 P19T6-S8 PolarHBondContact O-N 3.32Å; S8-F10 PolarHBondContact O-N 3.27Å; S8-D11 PolarHBondContact N-OD2 2.85Å; S8-D11 VanDerWaalsContact O-CG 3.26Å; S8-P19 VanDerWaalsContact CB-CG 3.45Å
9G83.3Confident77Confident60 Ų6089.9 Ų89.962%0.61950%0.5SS*.THydrogen-bonded Turntrans63.6-123.4178.300000112.6
10F89.4Confident77.8Confident135 Ų13588.3 Ų88.359%0.59249%0.488SS*.THydrogen-bonded Turntrans-104.815.6-173.3-61.7-77.9000114.4S8 R12 F13 M14 I16S8-F10 PolarHBondContact O-N 3.27Å; F10-R12 PolarHBondContact O-N 2.73Å; F10-R12 VanDerWaalsContact O-N 3.08Å; F10-F13 HydrophobicContact CD1-CD2 4.23Å; F10-F13 PolarHBondContact O-N 2.84Å; F10-M14 HydrophobicContact CB-CE 3.43Å; F10-M14 VanDerWaalsContact CB-CE 3.43Å; F10-M14 HydrophobicContact CD2-CE 4.29Å; F10-M14 HydrophobicContact CG-CE 3.95Å; F10-M14 PolarHBondContact O-N 2.85Å; F10-M14 VanDerWaalsContact O-N 3.1Å; F10-I16 HydrophobicContact CB-CD1 4.42Å
11D88.5Confident78.5Confident2 Ų286.5 Ų86.51%0.01149%0.489CS..THydrogen-bonded Turntrans-59.5-20.5-175.864.4-2.9000115S8 I16 P19 Y24S8-D11 PolarHBondContact N-OD2 2.85Å; S8-D11 VanDerWaalsContact O-CG 3.26Å; D11-I16 HydrophobicContact CB-CD1 4.45Å; D11-I16 HydrophobicContact CB-CG1 4.16Å; D11-P19 WeakPolarHBondContact OD2-CD 3.38Å; D11-Y24 HydrophobicContact CB-CD2 4.47Å
12R89.9Confident81Confident79 Ų7980 Ų8030%0.29845%0.451SS..THydrogen-bonded Turntrans-91.8-11.3174.6-68.6177.8-176.6-118.63.8114.2F10 Y24 Q25F10-R12 PolarHBondContact O-N 2.73Å; F10-R12 VanDerWaalsContact O-N 3.08Å; R12-Y24 HydrophobicContact CG-CD2 3.78Å; R12-Y24 HydrophobicContact CG-CE2 4.36Å; R12-Y24 HydrophobicContact CG-CG 4.29Å; R12-Q25 PolarHBondContact O-NE2 3.46Å
13F90.6Very high83.4Confident153 Ų15372.6 Ų72.667%0.67142%0.416SS*.THydrogen-bonded Turntrans-110-27.4-174.2-59.4-78.1000112.9F10F10-F13 HydrophobicContact CD1-CD2 4.23Å; F10-F13 PolarHBondContact O-N 2.84Å
14M90.6Very high85.2Confident70 Ų7070.2 Ų70.235%0.34540%0.397SS..SBendtrans-123.9166.8179.3-63.9-174.9-71.100110.7F10 I16 A130F10-M14 HydrophobicContact CB-CE 3.43Å; F10-M14 VanDerWaalsContact CB-CE 3.43Å; F10-M14 HydrophobicContact CD2-CE 4.29Å; F10-M14 HydrophobicContact CG-CE 3.95Å; F10-M14 PolarHBondContact O-N 2.85Å; F10-M14 VanDerWaalsContact O-N 3.1Å; M14-I16 HydrophobicContact CB-CG2 4.46Å; M14-I16 PolarHBondContact O-N 3.08Å; M14-A130 HydrophobicContact CB-CB 4.38Å; M14-A130 HydrophobicContact SD-CB 4.25Å
15T92.2Very high86.9Confident13 Ų1368.6 Ų68.68%0.0838%0.377CS..SBendtrans-79.458.2177.142.70000111.8Q25 T127 S129 A130 P134T15-Q25 HydrophobicContact CG2-CB 3.93Å; T15-T127 WeakPolarHBondContact CB-O 3.42Å; T15-S129 PolarHBondContact OG1-O 3.25Å; T15-S129 VanDerWaalsContact OG1-O 3.12Å; T15-A130 WeakPolarHBondContact OG1-CA 3.41Å; T15-P134 HydrophobicContact CG2-CG 4.41Å
16I93.6Very high88.5Confident68 Ų6865.5 Ų65.535%0.34935%0.354SS..  trans-114.7156.4173.766.3176.5000110.5F10 D11 M14F10-I16 HydrophobicContact CB-CD1 4.42Å; D11-I16 HydrophobicContact CB-CD1 4.45Å; D11-I16 HydrophobicContact CB-CG1 4.16Å; M14-I16 HydrophobicContact CB-CG2 4.46Å; M14-I16 PolarHBondContact O-N 3.08Å
17F94.9Very high90.2Very high151 Ų15163.7 Ų63.766%0.66234%0.339SS*.  trans-67135.3178.6-69.4-71.1000111.9L23F17-L23 HydrophobicContact CD1-CD2 3.98Å; F17-L23 HydrophobicContact CD1-CG 4.32Å; F17-L23 HydrophobicContact CE1-CD2 4.16Å; F17-L23 HydrophobicContact CE1-CG 4.23Å; F17-L23 HydrophobicContact CG-CD2 4.4Å
18S93Very high91.6Very high7 Ų763.4 Ų63.45%0.04933%0.328CS..  trans-73.1167.2164.385.20000111.3E20 G21 R22S18-E20 WeakPolarHBondContact CB-OE2 3.28Å; S18-E20 PolarHBondContact O-N 3.04Å; S18-E20 VanDerWaalsContact O-N 3.12Å; S18-E20 PolarHBondContact OG-N 3.38Å; S18-E20 PolarHBondContact OG-OE2 3.48Å; S18-G21 PolarHBondContact O-N 2.89Å; S18-R22 PolarHBondContact N-O 2.89Å; S18-R22 PolarHBondContact OG-N 2.91Å
19P92.3Very high92.8Very high71 Ų7160.9 Ų60.946%0.46131%0.31SS..THydrogen-bonded Turntrans-55.3-27.4172.1-26.436.1000113.8S8 D11 G21S8-P19 VanDerWaalsContact CB-CG 3.45Å; D11-P19 WeakPolarHBondContact OD2-CD 3.38Å; P19-G21 VanDerWaalsContact C-N 3.3Å
20E92.4Very high93.4Very high57 Ų5761.7 Ų61.727%0.26630%0.297SS..THydrogen-bonded Turntrans-83.50.2175.9-54.174.4-151.700113.7S3 S18 R22 Y24S3-E20 WeakPolarHBondContact OG-CG 3.3Å; S3-E20 PolarHBondContact OG-OE1 3.01Å; S18-E20 WeakPolarHBondContact CB-OE2 3.28Å; S18-E20 PolarHBondContact O-N 3.04Å; S18-E20 VanDerWaalsContact O-N 3.12Å; S18-E20 PolarHBondContact OG-N 3.38Å; S18-E20 PolarHBondContact OG-OE2 3.48Å; E20-R22 HydrophobicContact CB-CG 4.06Å; E20-Y24 PolarHBondContact OE2-OH 2.9Å
21G93Very high93.7Very high50 Ų5062 Ų6252%0.51530%0.298SS..SBendtrans76.721.8-175.500000114.2S18 P19S18-G21 PolarHBondContact O-N 2.89Å; P19-G21 VanDerWaalsContact C-N 3.3Å
22R94.5Very high94.1Very high107 Ų10762.8 Ų62.840%0.40430%0.304SS..  trans-98.8156-178.3-59.117468.5-172.66.6111.6S18 E20 Y24 E27S18-R22 PolarHBondContact N-O 2.89Å; S18-R22 PolarHBondContact OG-N 2.91Å; E20-R22 HydrophobicContact CB-CG 4.06Å; R22-Y24 HydrophobicContact CB-CE1 4.41Å; R22-E27 IonicContact CZ-OE1 3.34Å; R22-E27 IonicContact CZ-OE2 2.6Å; R22-E27 IonicContact NE-OE1 3.74Å; R22-E27 PolarHBondContact NE-OE1 3.44Å; R22-E27 IonicContact NE-OE2 3.8Å; R22-E27 IonicContact NH2-OE1 2.64Å; R22-E27 PolarHBondContact NH2-OE1 3.03Å; R22-E27 IonicContact NH2-OE2 3.44Å; R22-E27 PolarHBondContact NH2-OE2 3.07Å
23L95.4Very high94.4Very high42 Ų4259.3 Ų59.322%0.2229%0.292CS..  trans-110.889.8172.7-68.9179000109.8F17 Q25 V26 E27F17-L23 HydrophobicContact CD1-CD2 3.98Å; F17-L23 HydrophobicContact CD1-CG 4.32Å; F17-L23 HydrophobicContact CE1-CD2 4.16Å; F17-L23 HydrophobicContact CE1-CG 4.23Å; F17-L23 HydrophobicContact CG-CD2 4.4Å; L23-Q25 VanDerWaalsContact C-N 3.3Å; L23-Q25 PolarHBondContact O-N 3.06Å; L23-V26 HydrophobicContact CB-CB 4.14Å; L23-V26 HydrophobicContact CB-CG2 3.89Å; L23-V26 HydrophobicContact CD1-CG2 4.16Å; L23-V26 PolarHBondContact O-N 2.94Å; L23-V26 VanDerWaalsContact O-N 3.08Å; L23-E27 PolarHBondContact O-N 2.59Å
24Y95.1Very high94.6Very high10 Ų1053.9 Ų53.94%0.03927%0.273CS..Hα-helixtrans-60.7-36.4-173.1-70.2-54.3000113.4D11 R12 E20 R22 V26 E27 Y28D11-Y24 HydrophobicContact CB-CD2 4.47Å; R12-Y24 HydrophobicContact CG-CD2 3.78Å; R12-Y24 HydrophobicContact CG-CE2 4.36Å; R12-Y24 HydrophobicContact CG-CG 4.29Å; E20-Y24 PolarHBondContact OE2-OH 2.9Å; R22-Y24 HydrophobicContact CB-CE1 4.41Å; Y24-V26 VanDerWaalsContact C-N 3.3Å; Y24-V26 PolarHBondContact O-N 3.36Å; Y24-E27 WeakPolarHBondContact O-CB 3.26Å; Y24-E27 PolarHBondContact O-N 2.98Å; Y24-Y28 WeakPolarHBondContact O-CD1 3.17Å; Y24-Y28 WeakPolarHBondContact O-CD2 3.43Å; Y24-Y28 PolarHBondContact O-N 2.76Å
25Q95.7Very high94.7Very high42 Ų4257.5 Ų57.520%0.19629%0.293CS..Hα-helixtrans-61.8-36.2176.3-78.6-65-38.400112.9R12 T15 L23 Y28 T29R12-Q25 PolarHBondContact O-NE2 3.46Å; T15-Q25 HydrophobicContact CG2-CB 3.93Å; L23-Q25 VanDerWaalsContact C-N 3.3Å; L23-Q25 PolarHBondContact O-N 3.06Å; Q25-Y28 PolarHBondContact O-N 2.99Å; Q25-T29 PolarHBondContact O-N 3.05Å; Q25-T29 PolarHBondContact O-OG1 3.29Å
26V96.4Very high94.5Very high14 Ų1460.3 Ų60.39%0.08531%0.307CS..Hα-helixtrans-68.1-43175.2179.60000110.1L23 Y24 Y28 T29 F30 T127 P134L23-V26 HydrophobicContact CB-CB 4.14Å; L23-V26 HydrophobicContact CB-CG2 3.89Å; L23-V26 HydrophobicContact CD1-CG2 4.16Å; L23-V26 PolarHBondContact O-N 2.94Å; L23-V26 VanDerWaalsContact O-N 3.08Å; Y24-V26 VanDerWaalsContact C-N 3.3Å; Y24-V26 PolarHBondContact O-N 3.36Å; V26-Y28 VanDerWaalsContact C-N 3.34Å; V26-Y28 PolarHBondContact O-N 2.71Å; V26-T29 VanDerWaalsContact O-CB 3.31Å; V26-T29 WeakPolarHBondContact O-CB 3.46Å; V26-T29 PolarHBondContact O-N 3.03Å; V26-T29 VanDerWaalsContact O-N 3.09Å; V26-F30 HydrophobicContact CG1-CD2 4.24Å; V26-F30 HydrophobicContact CG1-CE2 3.94Å; V26-F30 WeakPolarHBondContact O-CD2 3.48Å; V26-F30 PolarHBondContact O-N 2.92Å; V26-F30 VanDerWaalsContact O-N 3.09Å; V26-T127 HydrophobicContact CG2-CG2 3.87Å; V26-P134 HydrophobicContact CG2-CG 4.32Å
27E96Very high94.4Very high59 Ų5957.9 Ų57.928%0.27630%0.299SS..Hα-helixtrans-62.8-39.4176.6-62.3-178.6177.500112.9R22 L23 Y24 T29 F30 K31R22-E27 IonicContact CZ-OE1 3.34Å; R22-E27 IonicContact CZ-OE2 2.6Å; R22-E27 IonicContact NE-OE1 3.74Å; R22-E27 PolarHBondContact NE-OE1 3.44Å; R22-E27 IonicContact NE-OE2 3.8Å; R22-E27 IonicContact NH2-OE1 2.64Å; R22-E27 PolarHBondContact NH2-OE1 3.03Å; R22-E27 IonicContact NH2-OE2 3.44Å; R22-E27 PolarHBondContact NH2-OE2 3.07Å; L23-E27 PolarHBondContact O-N 2.59Å; Y24-E27 WeakPolarHBondContact O-CB 3.26Å; Y24-E27 PolarHBondContact O-N 2.98Å; E27-T29 VanDerWaalsContact C-N 3.26Å; E27-T29 PolarHBondContact O-N 3.37Å; E27-F30 PolarHBondContact O-N 2.98Å; E27-K31 PolarHBondContact O-N 2.66Å
28Y96.4Very high94.4Very high78 Ų7851.3 Ų51.331%0.30627%0.271SS..Hα-helixtrans-64.6-35.1174.2-60.5-18.4000111.4Y24 Q25 V26 F30 K31 A32Y24-Y28 WeakPolarHBondContact O-CD1 3.17Å; Y24-Y28 WeakPolarHBondContact O-CD2 3.43Å; Y24-Y28 PolarHBondContact O-N 2.76Å; Q25-Y28 PolarHBondContact O-N 2.99Å; V26-Y28 VanDerWaalsContact C-N 3.34Å; V26-Y28 PolarHBondContact O-N 2.71Å; Y28-F30 PolarHBondContact O-N 2.91Å; Y28-K31 WeakPolarHBondContact O-CB 3.36Å; Y28-K31 PolarHBondContact O-N 3.01Å; Y28-K31 VanDerWaalsContact O-N 3.16Å; Y28-A32 PolarHBondContact O-N 3.1Å
29T96Very high94.6Very high11 Ų1151 Ų517%0.06727%0.268CS..Hα-helixtrans-64.9-39176.2-52.40000111.7Q25 V26 E27 K31 A32 I33 P134 L135 P158Q25-T29 PolarHBondContact O-N 3.05Å; Q25-T29 PolarHBondContact O-OG1 3.29Å; V26-T29 VanDerWaalsContact O-CB 3.31Å; V26-T29 WeakPolarHBondContact O-CB 3.46Å; V26-T29 PolarHBondContact O-N 3.03Å; V26-T29 VanDerWaalsContact O-N 3.09Å; E27-T29 VanDerWaalsContact C-N 3.26Å; E27-T29 PolarHBondContact O-N 3.37Å; T29-K31 VanDerWaalsContact C-N 3.3Å; T29-K31 PolarHBondContact O-N 3.33Å; T29-A32 WeakPolarHBondContact O-CB 3.5Å; T29-A32 PolarHBondContact O-N 3.41Å; T29-A32 VanDerWaalsContact O-N 3.1Å; T29-I33 PolarHBondContact O-N 2.92Å; T29-P134 HydrophobicContact CG2-CB 4.05Å; T29-L135 WeakPolarHBondContact CG2-O 3.43Å; T29-P158 HydrophobicContact CG2-CB 3.55Å; T29-P158 HydrophobicContact CG2-CG 3.69Å
30F96.1Very high94.9Very high77 Ų7747.6 Ų47.634%0.33825%0.246SC..Hα-helixtrans-60.9-38.6172-82.9-77.3000112.6V26 E27 Y28 A32 I33 D157V26-F30 HydrophobicContact CG1-CD2 4.24Å; V26-F30 HydrophobicContact CG1-CE2 3.94Å; V26-F30 WeakPolarHBondContact O-CD2 3.48Å; V26-F30 PolarHBondContact O-N 2.92Å; V26-F30 VanDerWaalsContact O-N 3.09Å; E27-F30 PolarHBondContact O-N 2.98Å; Y28-F30 PolarHBondContact O-N 2.91Å; F30-A32 VanDerWaalsContact C-N 3.3Å; F30-A32 PolarHBondContact O-N 3.3Å; F30-I33 HydrophobicContact CD1-CD1 4.4Å; F30-I33 PolarHBondContact O-N 3.15Å; F30-D157 HydrophobicContact CE1-CB 3.9Å; F30-D157 HydrophobicContact CZ-CB 4.02Å
31K95.6Very high95.2Very high141 Ų14144.9 Ų44.961%0.61323%0.234SC*.Hα-helixtrans-64.2-38.4173.9-64.6179.9-178.5-179.50111.5E27 Y28 T29 I33 S34E27-K31 PolarHBondContact O-N 2.66Å; Y28-K31 WeakPolarHBondContact O-CB 3.36Å; Y28-K31 PolarHBondContact O-N 3.01Å; Y28-K31 VanDerWaalsContact O-N 3.16Å; T29-K31 VanDerWaalsContact C-N 3.3Å; T29-K31 PolarHBondContact O-N 3.33Å; K31-I33 PolarHBondContact O-N 2.84Å; K31-S34 PolarHBondContact O-N 2.71Å
32A95.9Very high95.4Very high18 Ų1842.5 Ų42.515%0.14921%0.209CC..Hα-helixtrans-61.6-31.2179.400000113.2Y28 T29 F30 S34 L35 M84Y28-A32 PolarHBondContact O-N 3.1Å; T29-A32 WeakPolarHBondContact O-CB 3.5Å; T29-A32 PolarHBondContact O-N 3.41Å; T29-A32 VanDerWaalsContact O-N 3.1Å; F30-A32 VanDerWaalsContact C-N 3.3Å; F30-A32 PolarHBondContact O-N 3.3Å; A32-S34 VanDerWaalsContact C-N 3.27Å; A32-S34 PolarHBondContact O-N 3.41Å; A32-L35 HydrophobicContact CB-CD1 4.49Å; A32-L35 PolarHBondContact O-N 2.87Å; A32-M84 HydrophobicContact CB-SD 4.36Å
33I97Very high95.6Very high6 Ų637.4 Ų37.43%0.03119%0.19CC..Hα-helixtrans-59.9-38.4176.9-69170.9000111.7T29 F30 K31 T82 G83 A138 P158 V170T29-I33 PolarHBondContact O-N 2.92Å; F30-I33 HydrophobicContact CD1-CD1 4.4Å; F30-I33 PolarHBondContact O-N 3.15Å; K31-I33 PolarHBondContact O-N 2.84Å; I33-T82 HydrophobicContact CG2-CG2 4.14Å; I33-G83 WeakPolarHBondContact O-CA 3.49Å; I33-A138 HydrophobicContact CD1-CB 3.86Å; I33-P158 HydrophobicContact CD1-CG 3.55Å; I33-P158 HydrophobicContact CG1-CG 4.43Å; I33-V170 HydrophobicContact CG2-CG1 3.93Å
34S94.7Very high95.8Very high39 Ų3939 Ų3927%0.27319%0.193SC..Hα-helixtrans-84.1-13.6-177-56.20000113.5K31 A32 D36 G37 G171K31-S34 PolarHBondContact O-N 2.71Å; A32-S34 VanDerWaalsContact C-N 3.27Å; A32-S34 PolarHBondContact O-N 3.41Å; S34-D36 VanDerWaalsContact C-N 3.27Å; S34-D36 PolarHBondContact O-N 3.31Å; S34-G37 PolarHBondContact O-N 3.31Å; S34-G37 VanDerWaalsContact O-N 3.14Å; S34-G171 PolarHBondContact OG-O 3.28Å
35L93Very high95.9Very high147 Ų14738.9 Ų38.977%0.7719%0.194SC*.Hα-helixtrans-65.2-28.7-175.5-69.7179000113.7A32 G37A32-L35 HydrophobicContact CB-CD1 4.49Å; A32-L35 PolarHBondContact O-N 2.87Å; L35-G37 PolarHBondContact O-N 3.38Å
36D88.3Confident95.9Very high71 Ų7140.1 Ų40.138%0.3820%0.203SC..THydrogen-bonded Turntrans-73.6-2.6179.1-167.438.5000112.6S34 H38 R69S34-D36 VanDerWaalsContact C-N 3.27Å; S34-D36 PolarHBondContact O-N 3.31Å; D36-H38 VanDerWaalsContact CG-ND1 3.27Å; D36-H38 PolarHBondContact O-N 3.31Å; D36-H38 PolarHBondContact O-ND1 3.42Å; D36-H38 IonicContact OD1-CE1 3.07Å; D36-H38 IonicContact OD1-ND1 2.73Å; D36-H38 IonicContact OD2-CE1 2.69Å; D36-H38 PolarHBondContact OD2-CE1 3.07Å; D36-H38 IonicContact OD2-CG 2.92Å; D36-H38 IonicContact OD2-ND1 2.71Å; D36-H38 PolarHBondContact OD2-ND1 3.37Å; D36-R69 IonicContact OD2-CZ 3.28Å; D36-R69 IonicContact OD2-NH2 2.85Å; D36-R69 PolarHBondContact OD2-NH2 2.97Å
37G91.5Very high95.9Very high18 Ų1843.2 Ų43.219%0.18622%0.219CC..  trans66.113.1174.100000114.5S34 L35 Q54 K56S34-G37 PolarHBondContact O-N 3.31Å; S34-G37 VanDerWaalsContact O-N 3.14Å; L35-G37 PolarHBondContact O-N 3.38Å; G37-Q54 PolarHBondContact O-NE2 3.39Å; G37-K56 PolarHBondContact O-NZ 3.5Å
38H94Very high96Very high13 Ų1340.5 Ų40.56%0.0621%0.206CC..  trans-97.1144.8177.1-70.887.2000110.3D36 Q54 R69 G171 D172D36-H38 VanDerWaalsContact CG-ND1 3.27Å; D36-H38 PolarHBondContact O-N 3.31Å; D36-H38 PolarHBondContact O-ND1 3.42Å; D36-H38 IonicContact OD1-CE1 3.07Å; D36-H38 IonicContact OD1-ND1 2.73Å; D36-H38 IonicContact OD2-CE1 2.69Å; D36-H38 PolarHBondContact OD2-CE1 3.07Å; D36-H38 IonicContact OD2-CG 2.92Å; D36-H38 IonicContact OD2-ND1 2.71Å; D36-H38 PolarHBondContact OD2-ND1 3.37Å; H38-Q54 PolarHBondContact CD2-O 3.36Å; H38-R69 VanDerWaalsContact CB-CZ 3.41Å; H38-R69 PolarHBondContact CD2-NE 3.41Å; H38-G171 CarbonylContact O-C 3.6Å; H38-G171 WeakPolarHBondContact O-CA 3.37Å; H38-D172 PolarHBondContact O-N 3.13Å
39L96.9Very high96.1Very high0 Ų036.8 Ų36.80%019%0.192CC..EExtended strand (participates in β ladder)trans-121.3134.8173.1178.460.4000107.7V41 A53 A169 V170 D172 A177 L204 T207L39-V41 HydrophobicContact CG-CG2 4.39Å; L39-A53 WeakPolarHBondContact O-CA 3.45Å; L39-A53 WeakPolarHBondContact O-CB 3.45Å; L39-A169 HydrophobicContact CD1-CB 4.11Å; L39-V170 WeakPolarHBondContact CD1-O 3.14Å; L39-D172 WeakPolarHBondContact CD1-O 3.45Å; L39-A177 HydrophobicContact CD1-CB 4.29Å; L39-A177 HydrophobicContact CD2-CB 3.94Å; L39-L204 HydrophobicContact CB-CD2 4.24Å; L39-L204 HydrophobicContact CD2-CD2 3.95Å; L39-L204 HydrophobicContact CG-CD2 3.97Å; L39-T207 HydrophobicContact CD2-CG2 3.72Å
40S98.1Very high96.3Very high0 Ų036.3 Ų36.30%019%0.188CC..EExtended strand (participates in β ladder)trans-121.9140.2172.5-57.10000109.3A52 A53 T82 A169 V170S40-A52 CarbonylContact C-O 3.42Å; S40-A52 VanDerWaalsContact CA-O 3.28Å; S40-A52 WeakPolarHBondContact CA-O 3.48Å; S40-A53 WeakPolarHBondContact OG-CB 3.17Å; S40-T82 VanDerWaalsContact CB-OG1 3.24Å; S40-T82 WeakPolarHBondContact CB-OG1 3.2Å; S40-T82 PolarHBondContact OG-OG1 3.34Å; S40-A169 CarbonylContact O-C 3.45Å; S40-A169 VanDerWaalsContact O-CA 3.29Å; S40-A169 WeakPolarHBondContact O-CA 3.44Å; S40-V170 PolarHBondContact N-O 3.05Å; S40-V170 PolarHBondContact O-N 3.01Å
41V98.7Very high96.4Very high0 Ų032.6 Ų32.60%017%0.172CC..EExtended strand (participates in β ladder)trans-124136.4-178.7176.90000107.9L39 V43 V51 A52 V168 A169 L181 A200 C203 L204L39-V41 HydrophobicContact CG-CG2 4.39Å; V41-V43 HydrophobicContact CG1-CG2 4.1Å; V41-V51 CarbonylContact O-C 3.57Å; V41-V51 VanDerWaalsContact O-CA 3.31Å; V41-V51 WeakPolarHBondContact O-CA 3.19Å; V41-A52 PolarHBondContact N-O 2.89Å; V41-A52 PolarHBondContact O-N 3.32Å; V41-V168 CarbonylContact C-O 3.59Å; V41-V168 WeakPolarHBondContact CA-O 3.34Å; V41-A169 HydrophobicContact CG2-CB 4.3Å; V41-L181 HydrophobicContact CG1-CD1 4.11Å; V41-L181 HydrophobicContact CG1-CD2 4.2Å; V41-A200 HydrophobicContact CG1-CB 4.35Å; V41-C203 HydrophobicContact CG1-CB 4.38Å; V41-C203 HydrophobicContact CG2-CB 4.44Å; V41-L204 HydrophobicContact CG2-CD2 3.8Å; V41-L204 HydrophobicContact CG2-CG 4.07Å
42G98.7Very high96.5Very high0 Ų025.9 Ų25.90%014%0.143CC..EExtended strand (participates in β ladder)trans-118137.3168.800000110V50 L153 A167 V168G42-V50 CarbonylContact C-O 3.58Å; G42-V50 VanDerWaalsContact CA-O 3.26Å; G42-V50 WeakPolarHBondContact CA-O 3.3Å; G42-L153 VanDerWaalsContact C-CD2 3.43Å; G42-A167 CarbonylContact O-C 3.54Å; G42-A167 WeakPolarHBondContact O-CA 3.48Å; G42-A167 WeakPolarHBondContact O-CB 3.32Å; G42-V168 PolarHBondContact N-O 2.83Å; G42-V168 PolarHBondContact O-N 3.3Å
43V98.7Very high96.6Very high0 Ų025.1 Ų25.10%014%0.137CC..EExtended strand (participates in β ladder)trans-132.8133.4175.9178.70000108.6V41 A49 V50 A167 L181 F185 A196 L199 A200V41-V43 HydrophobicContact CG1-CG2 4.1Å; V43-A49 CarbonylContact O-C 3.59Å; V43-A49 WeakPolarHBondContact O-CA 3.19Å; V43-V50 PolarHBondContact N-O 3.25Å; V43-V50 PolarHBondContact O-N 3.16Å; V43-A167 HydrophobicContact CG2-CB 4.41Å; V43-L181 HydrophobicContact CG2-CD2 4.24Å; V43-F185 HydrophobicContact CG1-CE2 4.31Å; V43-F185 HydrophobicContact CG1-CZ 4.16Å; V43-A196 HydrophobicContact CG1-CB 3.96Å; V43-L199 HydrophobicContact CG1-CD2 3.97Å; V43-L199 HydrophobicContact CG2-CD2 4.23Å; V43-L199 HydrophobicContact CG2-CG 4.25Å; V43-A200 HydrophobicContact CG2-CB 4.11Å
44R98.3Very high96.4Very high75 Ų7525 Ų2528%0.28314%0.136SC..EExtended strand (participates in β ladder)trans-110114.1173.8-173.3-176.371.9176.32.7109P151 L153 R166R44-P151 VanDerWaalsContact CD-O 3.23Å; R44-P151 WeakPolarHBondContact CD-O 3.32Å; R44-P151 HydrophobicContact CG-CB 4.01Å; R44-P151 HydrophobicContact CG-CG 3.72Å; R44-L153 HydrophobicContact CB-CB 4.16Å; R44-L153 HydrophobicContact CB-CD2 4.41Å; R44-R166 WeakPolarHBondContact CB-O 3.26Å; R44-R166 PolarHBondContact N-O 3.21Å
45G97.6Very high96.1Very high7 Ų723.8 Ų23.87%0.07213%0.126CC..  trans-85-161.917000000112.2C48 P151 Y191G45-C48 PolarHBondContact N-O 3.43Å; G45-P151 WeakPolarHBondContact O-CG 3.49Å; G45-Y191 CarbonylContact C-O 3.51Å; G45-Y191 VanDerWaalsContact CA-O 3.25Å; G45-Y191 WeakPolarHBondContact CA-O 3.23Å
46N96Very high95.7Very high69 Ų6921 Ų2137%0.36911%0.108SC..SBendtrans-73.2-49.5-177.3-73.151.5000111.7P151 N190 Y191N46-P151 WeakPolarHBondContact O-CD 3.3Å; N46-P151 WeakPolarHBondContact O-CG 3.4Å; N46-N190 VanDerWaalsContact ND2-CG 3.29Å; N46-N190 PolarHBondContact ND2-OD1 2.82Å; N46-N190 VanDerWaalsContact OD1-C 3.27Å; N46-N190 WeakPolarHBondContact OD1-CA 3.44Å; N46-N190 WeakPolarHBondContact OD1-CB 3.11Å; N46-N190 PolarHBondContact OD1-OD1 2.69Å; N46-Y191 PolarHBondContact N-O 3.2Å; N46-Y191 PolarHBondContact OD1-N 3.1Å
47D96.7Very high95.5Very high79 Ų7919.9 Ų19.942%0.42210%0.102SC..SBendtrans-121.415.9-175.1-68.7-55.1000111.3S223 K224D47-S223 CarbonylContact O-C 3.56Å; D47-S223 WeakPolarHBondContact O-CA 3.49Å; D47-K224 HydrophobicContact CB-CB 3.87Å; D47-K224 HydrophobicContact CB-CD 4.44Å; D47-K224 PolarHBondContact O-N 3.28Å; D47-K224 WeakPolarHBondContact OD1-CD 3.47Å
48C98.2Very high95.1Very high2 Ų224.4 Ų24.41%0.01413%0.128CC..EExtended strand (participates in β ladder)trans-150.4161.5-177.867.40000113.4G45 P151 L193 V222G45-C48 PolarHBondContact N-O 3.43Å; C48-P151 WeakPolarHBondContact O-CB 3.26Å; C48-P151 WeakPolarHBondContact O-CG 3.3Å; C48-L193 HydrophobicContact CB-CB 4.2Å; C48-L193 HydrophobicContact CB-CD1 3.77Å; C48-L193 WeakPolarHBondContact SG-CA 3.37Å; C48-V222 CarbonylContact C-O 2.98Å; C48-V222 WeakPolarHBondContact CA-O 3.37Å; C48-V222 VanDerWaalsContact CB-O 3.3Å; C48-V222 WeakPolarHBondContact CB-O 3.44Å
49A98.6Very high94.8Very high0 Ų027.5 Ų27.50%015%0.145CC..EExtended strand (participates in β ladder)trans-135.4145.316400000109.9V43 I142 P151 Q152 V221 V222V43-A49 CarbonylContact O-C 3.59Å; V43-A49 WeakPolarHBondContact O-CA 3.19Å; A49-I142 HydrophobicContact CB-CB 3.85Å; A49-I142 HydrophobicContact CB-CG2 3.64Å; A49-I142 WeakPolarHBondContact O-CD1 3.28Å; A49-P151 HydrophobicContact CB-CB 4.08Å; A49-Q152 WeakPolarHBondContact CB-O 3.46Å; A49-V221 WeakPolarHBondContact O-CA 3.34Å; A49-V222 HydrophobicContact CB-CG2 3.81Å; A49-V222 PolarHBondContact N-O 3.08Å; A49-V222 PolarHBondContact O-N 3.35Å
50V98.8Very high94.4Very high0 Ų037.4 Ų37.40%019%0.188CC..EExtended strand (participates in β ladder)trans-130.3139.4-173.5-177.50000108.5G42 V43 L193 A196 V197 A200 I219 A220 V221G42-V50 CarbonylContact C-O 3.58Å; G42-V50 VanDerWaalsContact CA-O 3.26Å; G42-V50 WeakPolarHBondContact CA-O 3.3Å; V43-V50 PolarHBondContact N-O 3.25Å; V43-V50 PolarHBondContact O-N 3.16Å; V50-L193 HydrophobicContact CG2-CD1 4.08Å; V50-A196 HydrophobicContact CG2-CB 3.84Å; V50-V197 HydrophobicContact CG1-CG2 4.01Å; V50-V197 HydrophobicContact CG2-CG2 3.86Å; V50-A200 HydrophobicContact CG1-CB 4.31Å; V50-I219 HydrophobicContact CG1-CG2 3.7Å; V50-A220 WeakPolarHBondContact CA-O 3.39Å; V50-V221 HydrophobicContact CB-CG1 4.48Å; V50-V221 HydrophobicContact CG1-CG1 4.17Å; V50-V221 HydrophobicContact CG2-CG1 3.99Å
51V98.8Very high94.2Very high0 Ų044.9 Ų44.90%023%0.227CC..EExtended strand (participates in β ladder)trans-124.2138.2163.8-70.20000109.7V41 I80 L140 I142 L153 I219 A220V41-V51 CarbonylContact O-C 3.57Å; V41-V51 VanDerWaalsContact O-CA 3.31Å; V41-V51 WeakPolarHBondContact O-CA 3.19Å; V51-I80 HydrophobicContact CB-CB 4.05Å; V51-I80 HydrophobicContact CB-CG2 3.63Å; V51-I80 HydrophobicContact CG1-CG2 3.83Å; V51-I80 HydrophobicContact CG2-CB 4.01Å; V51-I80 HydrophobicContact CG2-CG2 4.14Å; V51-L140 HydrophobicContact CG1-CB 4.31Å; V51-I142 HydrophobicContact CG1-CD1 4.38Å; V51-I142 HydrophobicContact CG1-CG1 4.37Å; V51-I142 HydrophobicContact CG1-CG2 3.64Å; V51-I142 HydrophobicContact CG2-CD1 3.86Å; V51-I142 HydrophobicContact CG2-CG1 4.28Å; V51-L153 HydrophobicContact CG1-CD1 4.39Å; V51-I219 CarbonylContact O-C 3.54Å; V51-I219 WeakPolarHBondContact O-CA 3.31Å; V51-A220 HydrophobicContact CG2-CB 4.05Å; V51-A220 PolarHBondContact N-O 2.9Å; V51-A220 PolarHBondContact O-N 2.89Å
52A98.6Very high93.9Very high0 Ų047.7 Ų47.70%024%0.242CC..EExtended strand (participates in β ladder)trans-136.3146.8179.800000110.7S40 V41 A200 L204 E218 I219S40-A52 CarbonylContact C-O 3.42Å; S40-A52 VanDerWaalsContact CA-O 3.28Å; S40-A52 WeakPolarHBondContact CA-O 3.48Å; V41-A52 PolarHBondContact N-O 2.89Å; V41-A52 PolarHBondContact O-N 3.32Å; A52-A200 HydrophobicContact CB-CB 3.93Å; A52-L204 HydrophobicContact CB-CD1 3.84Å; A52-E218 CarbonylContact C-O 3.49Å; A52-E218 VanDerWaalsContact CA-O 3.29Å; A52-E218 WeakPolarHBondContact CA-O 3.18Å; A52-I219 HydrophobicContact CB-CG1 4Å
53A97.1Very high93.5Very high1 Ų152 Ų521%0.00826%0.264CS..EExtended strand (participates in β ladder)trans-145.9159.9166.400000111.3L39 S40 I80 L217 E218L39-A53 WeakPolarHBondContact O-CA 3.45Å; L39-A53 WeakPolarHBondContact O-CB 3.45Å; S40-A53 WeakPolarHBondContact OG-CB 3.17Å; A53-I80 HydrophobicContact CB-CD1 3.38Å; A53-I80 HydrophobicContact CB-CG1 4.33Å; A53-L217 WeakPolarHBondContact O-CA 3.37Å; A53-E218 PolarHBondContact N-O 3.23Å; A53-E218 PolarHBondContact O-N 3.1Å
54Q92.1Very high93Very high4 Ų456.9 Ų56.92%0.01928%0.283CS..EExtended strand (participates in β ladder)trans-68.814216363.6-172.4-18.800111.2G37 H38 K56 H208 F212 E216G37-Q54 PolarHBondContact O-NE2 3.39Å; H38-Q54 PolarHBondContact CD2-O 3.36Å; Q54-K56 VanDerWaalsContact CD-CE 3.45Å; Q54-K56 HydrophobicContact CG-CG 4.47Å; Q54-K56 VanDerWaalsContact NE2-NZ 3.18Å; Q54-H208 PolarHBondContact NE2-NE2 2.95Å; Q54-H208 PolarHBondContact OE1-NE2 2.8Å; Q54-F212 HydrophobicContact CB-CE1 4.13Å; Q54-F212 HydrophobicContact CB-CZ 4.43Å; Q54-E216 CarbonylContact C-O 3.54Å; Q54-E216 WeakPolarHBondContact CA-O 3.4Å
55L89.2Confident92.4Very high13 Ų1364.3 Ų64.37%0.06831%0.311CS..  trans-108.997170.8-17368.4000109R64 M67 E216 E218L55-R64 HydrophobicContact CD2-CG 3.68Å; L55-M67 HydrophobicContact CD1-CB 4.17Å; L55-E216 PolarHBondContact N-O 3.48Å; L55-E218 HydrophobicContact CB-CG 4.35Å; L55-E218 HydrophobicContact CD1-CG 4.4Å; L55-E218 HydrophobicContact CD2-CG 4.27Å
56K83.8Confident92.1Very high90 Ų9067.3 Ų67.339%0.39133%0.331SS..  trans-89.5117.8175.5-72175.8172.5162.40109.9G37 Q54G37-K56 PolarHBondContact O-NZ 3.5Å; Q54-K56 VanDerWaalsContact CD-CE 3.45Å; Q54-K56 HydrophobicContact CG-CG 4.47Å; Q54-K56 VanDerWaalsContact NE2-NZ 3.18Å
57L84.7Confident91.9Very high47 Ų4766.5 Ų66.525%0.24633%0.326CS..  trans-97.5116.5167.9-68.2174.6000109D59 I62 R64 M67L57-D59 VanDerWaalsContact C-N 3.25Å; L57-D59 PolarHBondContact O-N 2.95Å; L57-I62 HydrophobicContact CD2-CB 4.45Å; L57-I62 HydrophobicContact CD2-CG2 4.02Å; L57-R64 HydrophobicContact CD1-CB 3.85Å; L57-R64 HydrophobicContact CD1-CG 3.87Å; L57-R64 VanDerWaalsContact CD1-NE 3.33Å; L57-M67 HydrophobicContact CD2-CB 4.25Å; L57-M67 HydrophobicContact CD2-CE 4.44Å; L57-M67 HydrophobicContact CD2-CG 4.17Å; L57-M67 HydrophobicContact CD2-SD 3.43Å; L57-M67 WeakPolarHBondContact CD2-SD 3.39Å
58P82.9Confident91.8Very high113 Ų11365.1 Ų65.173%0.73432%0.32SS*.SBendtrans-71.8-23.9178.227.9-32.8000112.3I62P58-I62 HydrophobicContact CG-CD1 3.62Å
59D87.8Confident91.7Very high77 Ų7766 Ų6641%0.41232%0.323SS..  trans-138.7142.4-176.3-164.9-34.9000110.7L57 L61 I62L57-D59 VanDerWaalsContact C-N 3.25Å; L57-D59 PolarHBondContact O-N 2.95Å; D59-L61 PolarHBondContact O-N 2.96Å; D59-L61 WeakPolarHBondContact OD1-CB 3.42Å; D59-L61 PolarHBondContact OD1-N 2.77Å; D59-I62 HydrophobicContact CB-CD1 3.96Å; D59-I62 HydrophobicContact CB-CG1 4.12Å; D59-I62 PolarHBondContact O-N 2.87Å
60K88.8Confident91.6Very high208 Ų20866.6 Ų66.690%0.90433%0.326SS*.THydrogen-bonded Turntrans-68.7-20.7174.6-64.1-177.8-179.6179.20112.9I62K60-I62 VanDerWaalsContact C-N 3.32Å
61L95.1Very high91.6Very high158 Ų15868 Ų6883%0.82733%0.332SS*.THydrogen-bonded Turntrans-81.2-11.8178.2-61.6-178.6000113.1D59D59-L61 PolarHBondContact O-N 2.96Å; D59-L61 WeakPolarHBondContact OD1-CB 3.42Å; D59-L61 PolarHBondContact OD1-N 2.77Å
62I92Very high91.6Very high59 Ų5974.3 Ų74.330%0.30336%0.356SS..SBendtrans-75.3128.3174.4-67.1166.9000109.1L57 P58 D59 K60 R64 M67L57-I62 HydrophobicContact CD2-CB 4.45Å; L57-I62 HydrophobicContact CD2-CG2 4.02Å; P58-I62 HydrophobicContact CG-CD1 3.62Å; D59-I62 HydrophobicContact CB-CD1 3.96Å; D59-I62 HydrophobicContact CB-CG1 4.12Å; D59-I62 PolarHBondContact O-N 2.87Å; K60-I62 VanDerWaalsContact C-N 3.32Å; I62-R64 PolarHBondContact O-N 3.4Å; I62-M67 HydrophobicContact CD1-SD 4.47Å; I62-M67 HydrophobicContact CG2-CG 3.91Å; I62-M67 HydrophobicContact CG2-SD 3.64Å
63D90.4Very high91.6Very high90 Ų9075 Ų7548%0.48136%0.359SS..  trans-65.5110.3169.6-1793.8000109.5R65 S66D63-R65 PolarHBondContact O-N 3.27Å; D63-R65 VanDerWaalsContact O-N 3.13Å; D63-R65 WeakPolarHBondContact OD1-CB 3.44Å; D63-R65 WeakPolarHBondContact OD1-CG 2.88Å; D63-R65 PolarHBondContact OD1-N 2.84Å; D63-S66 WeakPolarHBondContact O-CB 3.49Å; D63-S66 PolarHBondContact O-N 2.9Å; D63-S66 PolarHBondContact O-OG 3.45Å
64R86.8Confident91.6Very high102 Ų10275.9 Ų75.939%0.38537%0.365SS..G310 helixtrans-51.7-35.9177.2-172174.1-58-1366.4112.6L55 L57 I62 S66 M67 T215L55-R64 HydrophobicContact CD2-CG 3.68Å; L57-R64 HydrophobicContact CD1-CB 3.85Å; L57-R64 HydrophobicContact CD1-CG 3.87Å; L57-R64 VanDerWaalsContact CD1-NE 3.33Å; I62-R64 PolarHBondContact O-N 3.4Å; R64-S66 PolarHBondContact O-N 3.45Å; R64-M67 PolarHBondContact O-N 2.82Å; R64-M67 VanDerWaalsContact O-N 3.1Å; R64-M67 VanDerWaalsContact O-O 3.09Å; R64-T215 PolarHBondContact NH1-O 3.24Å; R64-T215 PolarHBondContact NH1-OG1 3.39Å
65R87.4Confident91.8Very high231 Ų23179.4 Ų79.487%0.87238%0.384SS*.G310 helixtrans-67.7-22.3-177.5-55.4173.7-163.8173.35.2112.3D63 M67D63-R65 PolarHBondContact O-N 3.27Å; D63-R65 VanDerWaalsContact O-N 3.13Å; D63-R65 WeakPolarHBondContact OD1-CB 3.44Å; D63-R65 WeakPolarHBondContact OD1-CG 2.88Å; D63-R65 PolarHBondContact OD1-N 2.84Å; R65-M67 VanDerWaalsContact C-N 3.34Å
66S90.4Very high92.1Very high70 Ų7080.2 Ų80.249%0.4939%0.391SS..G310 helixtrans-83.2-12176.876.90000113.3D63 R64D63-S66 WeakPolarHBondContact O-CB 3.49Å; D63-S66 PolarHBondContact O-N 2.9Å; D63-S66 PolarHBondContact O-OG 3.45Å; R64-S66 PolarHBondContact O-N 3.45Å
67M91.1Very high92.8Very high53 Ų5375.9 Ų75.926%0.26137%0.372SS..  trans-104.2120.3177.3-71.9-163.358.800110.2L55 L57 I62 R64 R65L55-M67 HydrophobicContact CD1-CB 4.17Å; L57-M67 HydrophobicContact CD2-CB 4.25Å; L57-M67 HydrophobicContact CD2-CE 4.44Å; L57-M67 HydrophobicContact CD2-CG 4.17Å; L57-M67 HydrophobicContact CD2-SD 3.43Å; L57-M67 WeakPolarHBondContact CD2-SD 3.39Å; I62-M67 HydrophobicContact CD1-SD 4.47Å; I62-M67 HydrophobicContact CG2-CG 3.91Å; I62-M67 HydrophobicContact CG2-SD 3.64Å; R64-M67 PolarHBondContact O-N 2.82Å; R64-M67 VanDerWaalsContact O-N 3.1Å; R64-M67 VanDerWaalsContact O-O 3.09Å; R65-M67 VanDerWaalsContact C-N 3.34Å
68T94.7Very high93.5Very high50 Ų5073.7 Ų73.731%0.30736%0.36SS..  trans-152.2150.4173.2-171.10000110.3I70 F71 E218T68-I70 PolarHBondContact OG1-N 3.47Å; T68-I70 PolarHBondContact OG1-O 3.4Å; T68-F71 HydrophobicContact CG2-CE1 4.09Å; T68-F71 HydrophobicContact CG2-CZ 4.3Å; T68-F71 WeakPolarHBondContact O-CZ 3.31Å; T68-E218 WeakPolarHBondContact CA-OE1 3.3Å; T68-E218 WeakPolarHBondContact CA-OE2 3.17Å; T68-E218 VanDerWaalsContact CB-OE1 3.3Å; T68-E218 WeakPolarHBondContact CB-OE1 3.21Å; T68-E218 VanDerWaalsContact OG1-CD 3.24Å; T68-E218 PolarHBondContact OG1-OE1 3.39Å; T68-E218 PolarHBondContact OG1-OE2 3.07Å
69R95.8Very high94.3Very high19 Ų1968.3 Ų68.37%0.07233%0.325CS..SBendtrans-108.4-7.8171.2-70.5172143.3-79.8-20.4111.6D36 H38 F71 I80 M81 T82 G83 E218D36-R69 IonicContact OD2-CZ 3.28Å; D36-R69 IonicContact OD2-NH2 2.85Å; D36-R69 PolarHBondContact OD2-NH2 2.97Å; H38-R69 VanDerWaalsContact CB-CZ 3.41Å; H38-R69 PolarHBondContact CD2-NE 3.41Å; R69-F71 VanDerWaalsContact C-CE2 3.47Å; R69-F71 VanDerWaalsContact O-CD2 3.26Å; R69-F71 WeakPolarHBondContact O-CD2 3.44Å; R69-F71 VanDerWaalsContact O-CE2 3.26Å; R69-F71 WeakPolarHBondContact O-CE2 3.25Å; R69-I80 HydrophobicContact CB-CG1 3.98Å; R69-I80 CarbonylContact O-C 3.57Å; R69-I80 VanDerWaalsContact O-CA 3.3Å; R69-I80 WeakPolarHBondContact O-CA 3.23Å; R69-M81 PolarHBondContact NH1-O 3.29Å; R69-M81 PolarHBondContact O-N 2.99Å; R69-T82 VanDerWaalsContact NH1-CA 3.32Å; R69-G83 PolarHBondContact NH2-O 3.4Å; R69-E218 PolarHBondContact N-OE2 2.9Å
70I98Very high94.8Very high13 Ų1364.6 Ų64.67%0.06731%0.306CS..EExtended strand (participates in β ladder)trans-98.2127.4-177-63.2-168.8000109.5T68 C79 I80 E218 A220 F229T68-I70 PolarHBondContact OG1-N 3.47Å; T68-I70 PolarHBondContact OG1-O 3.4Å; I70-C79 CarbonylContact C-O 3.6Å; I70-C79 WeakPolarHBondContact CA-O 3.49Å; I70-I80 HydrophobicContact CD1-CD1 4.22Å; I70-I80 HydrophobicContact CG1-CB 4.4Å; I70-I80 HydrophobicContact CG1-CD1 3.77Å; I70-I80 HydrophobicContact CG1-CG1 3.96Å; I70-E218 HydrophobicContact CD1-CB 3.66Å; I70-E218 HydrophobicContact CG1-CB 4.12Å; I70-A220 HydrophobicContact CD1-CB 3.76Å; I70-A220 HydrophobicContact CG2-CB 3.67Å; I70-F229 HydrophobicContact CG2-CE1 4.11Å; I70-F229 HydrophobicContact CG2-CZ 3.48Å; I70-F229 VanDerWaalsContact CG2-CZ 3.48Å
71F98.4Very high95.2Very high31 Ų3154.8 Ų54.814%0.13626%0.263CS..EExtended strand (participates in β ladder)trans-134.2130.4-177.7-56.4-86.8000111T68 R69 G78 C79 M81 V92T68-F71 HydrophobicContact CG2-CE1 4.09Å; T68-F71 HydrophobicContact CG2-CZ 4.3Å; T68-F71 WeakPolarHBondContact O-CZ 3.31Å; R69-F71 VanDerWaalsContact C-CE2 3.47Å; R69-F71 VanDerWaalsContact O-CD2 3.26Å; R69-F71 WeakPolarHBondContact O-CD2 3.44Å; R69-F71 VanDerWaalsContact O-CE2 3.26Å; R69-F71 WeakPolarHBondContact O-CE2 3.25Å; F71-G78 CarbonylContact O-C 3.57Å; F71-G78 WeakPolarHBondContact O-CA 3.31Å; F71-C79 PolarHBondContact N-O 2.93Å; F71-C79 PolarHBondContact O-N 3.46Å; F71-M81 HydrophobicContact CD2-CB 4.32Å; F71-M81 HydrophobicContact CD2-CG 3.59Å; F71-M81 HydrophobicContact CE2-CB 4.04Å; F71-M81 HydrophobicContact CE2-CG 3.74Å; F71-V92 HydrophobicContact CB-CG1 3.78Å; F71-V92 HydrophobicContact CB-CG2 4Å; F71-V92 HydrophobicContact CD1-CG1 4.13Å; F71-V92 HydrophobicContact CD1-CG2 4.49Å; F71-V92 HydrophobicContact CD2-CG2 3.73Å; F71-V92 HydrophobicContact CE2-CG2 4.33Å; F71-V92 HydrophobicContact CG-CB 4.47Å; F71-V92 HydrophobicContact CG-CG1 3.95Å; F71-V92 HydrophobicContact CG-CG2 3.81Å
72R98.3Very high95.4Very high132 Ų13247.3 Ų47.350%0.49822%0.224SC..EExtended strand (participates in β ladder)trans-74.3126.1168.1-170.7170.374.6143.511.3110T74 D75 R96 F229R72-T74 WeakPolarHBondContact CD-O 3.39Å; R72-T74 WeakPolarHBondContact CG-O 3.16Å; R72-D75 IonicContact CZ-OD1 3.8Å; R72-D75 IonicContact NH1-OD1 2.92Å; R72-D75 PolarHBondContact NH1-OD1 2.9Å; R72-D75 IonicContact NH2-OD1 2.88Å; R72-R96 VanDerWaalsContact O-CZ 3.32Å; R72-R96 PolarHBondContact O-NE 3.34Å; R72-R96 PolarHBondContact O-NH2 3.27Å; R72-F229 HydrophobicContact CB-CD1 3.96Å; R72-F229 HydrophobicContact CB-CE1 4.04Å; R72-F229 HydrophobicContact CG-CD1 3.93Å
73L98.6Very high95.6Very high13 Ų1344.5 Ų44.57%0.06821%0.209CC..SBendtrans-97.8-48.1178.2-59.5-176.4000110.7T77 C79 V92 A95 R96 L115 M139L73-T77 WeakPolarHBondContact CA-O 3.45Å; L73-T77 WeakPolarHBondContact CB-O 3.37Å; L73-T77 HydrophobicContact CD1-CG2 4.37Å; L73-T77 PolarHBondContact N-O 3.13Å; L73-C79 HydrophobicContact CD1-CB 4.02Å; L73-C79 HydrophobicContact CG-CB 4.35Å; L73-V92 HydrophobicContact CD2-CG1 4.02Å; L73-A95 HydrophobicContact CD1-CB 4.1Å; L73-A95 HydrophobicContact CD2-CB 3.94Å; L73-R96 HydrophobicContact CD2-CG 4.29Å; L73-L115 HydrophobicContact CB-CD2 4.35Å; L73-L115 HydrophobicContact CD1-CD2 3.96Å; L73-M139 HydrophobicContact CD1-SD 4.12Å
74T98Very high95.9Very high20 Ų2043.8 Ų43.812%0.12320%0.204CC..SBendtrans-131.6-172168.770.40000109.2R72 S76 T77 A99 E109 V110R72-T74 WeakPolarHBondContact CD-O 3.39Å; R72-T74 WeakPolarHBondContact CG-O 3.16Å; T74-S76 PolarHBondContact OG1-N 2.94Å; T74-S76 PolarHBondContact OG1-OG 2.94Å; T74-T77 PolarHBondContact N-O 2.86Å; T74-T77 WeakPolarHBondContact OG1-CB 3.49Å; T74-T77 PolarHBondContact OG1-N 3Å; T74-A99 HydrophobicContact CG2-CB 3.59Å; T74-E109 WeakPolarHBondContact CB-OE1 3.37Å; T74-E109 HydrophobicContact CG2-CG 4.3Å; T74-E109 PolarHBondContact OG1-OE1 2.88Å; T74-V110 HydrophobicContact CG2-CG1 4.23Å
75D96.1Very high96.3Very high78 Ų7841.3 Ų41.342%0.41721%0.205SC..SBendtrans-70.5-36.9176.3-67.9-38.2000111.5R72 E109 F229R72-D75 IonicContact CZ-OD1 3.8Å; R72-D75 IonicContact NH1-OD1 2.92Å; R72-D75 PolarHBondContact NH1-OD1 2.9Å; R72-D75 IonicContact NH2-OD1 2.88Å; D75-E109 PolarHBondContact N-OE1 3.29Å; D75-F229 PolarHBondContact O-N 3.43Å
76S95.8Very high96.7Very high30 Ų3034.3 Ų34.321%0.2119%0.19CC..SBendtrans-90.4-23.2178.9640000115T74 E109T74-S76 PolarHBondContact OG1-N 2.94Å; T74-S76 PolarHBondContact OG1-OG 2.94Å; S76-E109 WeakPolarHBondContact CB-OE1 3.42Å; S76-E109 PolarHBondContact N-OE1 2.8Å; S76-E109 PolarHBondContact OG-OE1 2.83Å
77T98.4Very high97.1Very high0 Ų031.5 Ų31.50%017%0.17CC..  trans-115.8126.9-174.7-56.70000110.9L73 T74 C112 L115 A141 I142 S143L73-T77 WeakPolarHBondContact CA-O 3.45Å; L73-T77 WeakPolarHBondContact CB-O 3.37Å; L73-T77 HydrophobicContact CD1-CG2 4.37Å; L73-T77 PolarHBondContact N-O 3.13Å; T74-T77 PolarHBondContact N-O 2.86Å; T74-T77 WeakPolarHBondContact OG1-CB 3.49Å; T74-T77 PolarHBondContact OG1-N 3Å; T77-C112 HydrophobicContact CG2-CB 4.15Å; T77-L115 HydrophobicContact CG2-CD2 4.48Å; T77-A141 HydrophobicContact CG2-CB 4.48Å; T77-I142 WeakPolarHBondContact CA-O 3.27Å; T77-S143 WeakPolarHBondContact OG1-CB 3.5Å
78G98.7Very high97.4Very high0 Ų029.2 Ų29.20%016%0.159CC..EExtended strand (participates in β ladder)trans-133.1168.916900000111.7F71 A141 I142 F229F71-G78 CarbonylContact O-C 3.57Å; F71-G78 WeakPolarHBondContact O-CA 3.31Å; G78-A141 CarbonylContact O-C 3.59Å; G78-A141 VanDerWaalsContact O-CA 3.32Å; G78-A141 WeakPolarHBondContact O-CA 3.14Å; G78-I142 PolarHBondContact N-O 3.37Å; G78-I142 VanDerWaalsContact N-O 3.13Å; G78-I142 PolarHBondContact O-N 2.91Å; G78-F229 VanDerWaalsContact CA-CD2 3.47Å
79C98.8Very high97.6Very high0 Ų034 Ų340%017%0.171CC..EExtended strand (participates in β ladder)trans-139.3159.2-176.770.10000112.7I70 F71 L73 M139 L140 A141I70-C79 CarbonylContact C-O 3.6Å; I70-C79 WeakPolarHBondContact CA-O 3.49Å; F71-C79 PolarHBondContact N-O 2.93Å; F71-C79 PolarHBondContact O-N 3.46Å; L73-C79 HydrophobicContact CD1-CB 4.02Å; L73-C79 HydrophobicContact CG-CB 4.35Å; C79-M139 HydrophobicContact CB-CG 3.74Å; C79-M139 HydrophobicContact CB-SD 4.24Å; C79-L140 CarbonylContact C-O 3.6Å; C79-L140 WeakPolarHBondContact CA-O 3.08Å; C79-L140 VanDerWaalsContact CB-O 3.25Å; C79-L140 WeakPolarHBondContact CB-O 3.31Å; C79-A141 HydrophobicContact CB-CB 4.14Å
80I98.6Very high97.7Very high0 Ų035.6 Ų35.60%019%0.188CC..EExtended strand (participates in β ladder)trans-112.7135.8161.8-161.5161.5000109.3V51 A53 R69 I70 L140V51-I80 HydrophobicContact CB-CB 4.05Å; V51-I80 HydrophobicContact CB-CG2 3.63Å; V51-I80 HydrophobicContact CG1-CG2 3.83Å; V51-I80 HydrophobicContact CG2-CB 4.01Å; V51-I80 HydrophobicContact CG2-CG2 4.14Å; A53-I80 HydrophobicContact CB-CD1 3.38Å; A53-I80 HydrophobicContact CB-CG1 4.33Å; R69-I80 HydrophobicContact CB-CG1 3.98Å; R69-I80 CarbonylContact O-C 3.57Å; R69-I80 VanDerWaalsContact O-CA 3.3Å; R69-I80 WeakPolarHBondContact O-CA 3.23Å; I70-I80 HydrophobicContact CD1-CD1 4.22Å; I70-I80 HydrophobicContact CG1-CB 4.4Å; I70-I80 HydrophobicContact CG1-CD1 3.77Å; I70-I80 HydrophobicContact CG1-CG1 3.96Å; I80-L140 HydrophobicContact CG2-CB 3.7Å; I80-L140 HydrophobicContact CG2-CD1 4.13Å; I80-L140 HydrophobicContact CG2-CG 4.28Å; I80-L140 PolarHBondContact N-O 2.9Å; I80-L140 PolarHBondContact O-N 2.83Å
81M98.3Very high97.7Very high1 Ų135.1 Ų35.11%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-110132.9-174.4-61.6-59.3-65.700111.3R69 F71 C88 Q91 V92 C137 M139R69-M81 PolarHBondContact NH1-O 3.29Å; R69-M81 PolarHBondContact O-N 2.99Å; F71-M81 HydrophobicContact CD2-CB 4.32Å; F71-M81 HydrophobicContact CD2-CG 3.59Å; F71-M81 HydrophobicContact CE2-CB 4.04Å; F71-M81 HydrophobicContact CE2-CG 3.74Å; M81-C88 HydrophobicContact CB-CB 3.66Å; M81-C88 HydrophobicContact CE-CB 4.14Å; M81-C88 HydrophobicContact CG-CB 4.2Å; M81-Q91 HydrophobicContact CE-CB 4.02Å; M81-Q91 HydrophobicContact CE-CG 4.41Å; M81-Q91 VanDerWaalsContact CE-OE1 3.32Å; M81-V92 HydrophobicContact CE-CG2 4.25Å; M81-V92 HydrophobicContact CG-CG2 3.49Å; M81-V92 VanDerWaalsContact CG-CG2 3.49Å; M81-V92 HydrophobicContact SD-CG2 3.74Å; M81-C137 HydrophobicContact CE-CB 4.44Å; M81-M139 HydrophobicContact CE-CB 4.06Å; M81-M139 HydrophobicContact CE-CE 3.83Å; M81-M139 HydrophobicContact SD-CB 3.66Å; M81-M139 HydrophobicContact SD-CE 3.44Å; M81-M139 WeakPolarHBondContact SD-CE 3.25Å; M81-M139 HydrophobicContact SD-CG 3.58Å; M81-M139 VanDerWaalsContact SD-CG 3.58Å; M81-M139 HydrophobicContact SD-SD 4.34Å
82T97.9Very high97.7Very high1 Ų133.7 Ų33.71%0.00618%0.18CC..EExtended strand (participates in β ladder)trans-125.2140.1-179.6-44.40000112.7I33 S40 R69 C137 A138 V170I33-T82 HydrophobicContact CG2-CG2 4.14Å; S40-T82 VanDerWaalsContact CB-OG1 3.24Å; S40-T82 WeakPolarHBondContact CB-OG1 3.2Å; S40-T82 PolarHBondContact OG-OG1 3.34Å; R69-T82 VanDerWaalsContact NH1-CA 3.32Å; T82-C137 CarbonylContact O-C 3.59Å; T82-C137 WeakPolarHBondContact O-CA 3.36Å; T82-C137 WeakPolarHBondContact O-CB 3.42Å; T82-A138 PolarHBondContact N-O 3.47Å; T82-A138 PolarHBondContact O-N 3.48Å; T82-V170 HydrophobicContact CG2-CG1 4.23Å
83G97Very high97.7Very high0 Ų032.9 Ų32.90%018%0.182CC..EExtended strand (participates in β ladder)trans108.3-150.8-173.800000113.9I33 R69 A85 G136I33-G83 WeakPolarHBondContact O-CA 3.49Å; R69-G83 PolarHBondContact NH2-O 3.4Å; G83-A85 PolarHBondContact O-N 2.66Å; G83-G136 CarbonylContact C-O 3.55Å; G83-G136 WeakPolarHBondContact CA-O 3.33Å
84M96.6Very high97.8Very high75 Ų7536.3 Ų36.337%0.36919%0.194SC..  trans-62.9112.7-173-65-179.969.400111.6A32 P86 D87 C88 G136A32-M84 HydrophobicContact CB-SD 4.36Å; M84-P86 VanDerWaalsContact C-CD 3.48Å; M84-D87 HydrophobicContact CB-CB 4.12Å; M84-D87 WeakPolarHBondContact O-CB 3.35Å; M84-D87 PolarHBondContact O-N 2.91Å; M84-C88 PolarHBondContact O-N 3.48Å; M84-C88 PolarHBondContact O-SG 2.93Å; M84-G136 PolarHBondContact N-O 3.17Å
85A94.6Very high97.8Very high50 Ų5035.3 Ų35.341%0.41319%0.188SC..Hα-helixtrans-48.8-44.6-17600000116.5G83 C88 R89G83-A85 PolarHBondContact O-N 2.66Å; A85-C88 WeakPolarHBondContact O-CB 3.33Å; A85-C88 PolarHBondContact O-N 3.44Å; A85-R89 WeakPolarHBondContact O-CG 2.96Å; A85-R89 PolarHBondContact O-N 3.26Å; A85-R89 VanDerWaalsContact O-N 3.13Å
86P96.7Very high97.9Very high85 Ų8535.5 Ų35.555%0.55218%0.183SC*.Hα-helixtrans-66.3-39.4177.424.8-33.2000112.5M84 R89 A90M84-P86 VanDerWaalsContact C-CD 3.48Å; P86-R89 PolarHBondContact O-N 2.82Å; P86-A90 PolarHBondContact O-N 3.12Å
87D98Very high98.1Very high11 Ų1140.7 Ų40.76%0.05920%0.198CC..Hα-helixtrans-65.5-42177.1-68.39.1000110.8M84 R89 A90 Q91 R133 L135 G136 C137M84-D87 HydrophobicContact CB-CB 4.12Å; M84-D87 WeakPolarHBondContact O-CB 3.35Å; M84-D87 PolarHBondContact O-N 2.91Å; D87-R89 VanDerWaalsContact C-N 3.31Å; D87-R89 PolarHBondContact O-N 2.85Å; D87-A90 PolarHBondContact O-N 2.9Å; D87-Q91 PolarHBondContact O-N 3.36Å; D87-R133 IonicContact OD1-CZ 3.72Å; D87-R133 IonicContact OD1-NH1 3.11Å; D87-R133 IonicContact OD1-NH2 3.36Å; D87-R133 PolarHBondContact OD1-NH2 2.86Å; D87-R133 IonicContact OD2-CZ 3.98Å; D87-R133 IonicContact OD2-NH1 2.66Å; D87-R133 PolarHBondContact OD2-NH1 2.91Å; D87-R133 IonicContact OD2-NH2 2.92Å; D87-R133 PolarHBondContact OD2-NH2 3.25Å; D87-R133 VanDerWaalsContact OD2-NH2 3.11Å; D87-L135 HydrophobicContact CB-CB 4.25Å; D87-L135 HydrophobicContact CB-CD2 4.25Å; D87-G136 PolarHBondContact OD2-N 3.47Å; D87-C137 HydrophobicContact CB-CB 4.33Å
88C97.8Very high98.1Very high5 Ų542 Ų423%0.03420%0.204CC..Hα-helixtrans-53.7-48.8173.4-67.50000111.2M81 M84 A85 A90 Q91 V92 C137M81-C88 HydrophobicContact CB-CB 3.66Å; M81-C88 HydrophobicContact CE-CB 4.14Å; M81-C88 HydrophobicContact CG-CB 4.2Å; M84-C88 PolarHBondContact O-N 3.48Å; M84-C88 PolarHBondContact O-SG 2.93Å; A85-C88 WeakPolarHBondContact O-CB 3.33Å; A85-C88 PolarHBondContact O-N 3.44Å; C88-A90 PolarHBondContact O-N 3.26Å; C88-Q91 PolarHBondContact O-N 3.31Å; C88-V92 VanDerWaalsContact O-CG2 3.28Å; C88-V92 WeakPolarHBondContact O-CG2 3.13Å; C88-V92 PolarHBondContact O-N 3.34Å; C88-C137 HydrophobicContact CB-CB 4.48Å; C88-C137 WeakPolarHBondContact SG-CB 3.47Å
89R98.2Very high98.1Very high149 Ų14942.1 Ų42.156%0.56221%0.206SC*.Hα-helixtrans-64.6-40.3179.4-70.8175.3179.7170.8-0.4111.8A85 P86 D87 V92 Q93A85-R89 WeakPolarHBondContact O-CG 2.96Å; A85-R89 PolarHBondContact O-N 3.26Å; A85-R89 VanDerWaalsContact O-N 3.13Å; P86-R89 PolarHBondContact O-N 2.82Å; D87-R89 VanDerWaalsContact C-N 3.31Å; D87-R89 PolarHBondContact O-N 2.85Å; R89-V92 PolarHBondContact O-N 2.9Å; R89-Q93 WeakPolarHBondContact O-CG 3.21Å; R89-Q93 PolarHBondContact O-N 2.9Å
90A98.5Very high98.1Very high53 Ų5345 Ų4544%0.43823%0.23SC..Hα-helixtrans-62.7-46177.200000111.8P86 D87 C88 V92 Q93 R94P86-A90 PolarHBondContact O-N 3.12Å; D87-A90 PolarHBondContact O-N 2.9Å; C88-A90 PolarHBondContact O-N 3.26Å; A90-V92 PolarHBondContact O-N 3.05Å; A90-Q93 PolarHBondContact O-N 3.13Å; A90-R94 PolarHBondContact O-N 2.68Å
91Q98.7Very high98.1Very high3 Ų346.2 Ų46.21%0.01424%0.238CC..Hα-helixtrans-66.5-37.6179-164172.86900112.1M81 D87 C88 R94 A95 I119 N123 L135 C137 M139M81-Q91 HydrophobicContact CE-CB 4.02Å; M81-Q91 HydrophobicContact CE-CG 4.41Å; M81-Q91 VanDerWaalsContact CE-OE1 3.32Å; D87-Q91 PolarHBondContact O-N 3.36Å; C88-Q91 PolarHBondContact O-N 3.31Å; Q91-R94 WeakPolarHBondContact O-CB 3.28Å; Q91-R94 PolarHBondContact O-N 3.13Å; Q91-A95 WeakPolarHBondContact O-CB 3.37Å; Q91-A95 PolarHBondContact O-N 3.49Å; Q91-I119 HydrophobicContact CG-CG2 3.96Å; Q91-N123 VanDerWaalsContact NE2-CG 3.31Å; Q91-N123 PolarHBondContact NE2-ND2 2.95Å; Q91-N123 PolarHBondContact NE2-OD1 3.38Å; Q91-L135 HydrophobicContact CB-CD1 4.07Å; Q91-L135 HydrophobicContact CG-CD1 4.41Å; Q91-C137 PolarHBondContact OE1-SG 3.42Å; Q91-C137 VanDerWaalsContact OE1-SG 3.36Å; Q91-M139 HydrophobicContact CG-CE 4.02Å
92V98.8Very high98.1Very high1 Ų147.6 Ų47.61%0.00624%0.244CC..Hα-helixtrans-61.2-44.9172.8166.50000111.7F71 L73 M81 C88 R89 A90 R94 A95 R96 M139F71-V92 HydrophobicContact CB-CG1 3.78Å; F71-V92 HydrophobicContact CB-CG2 4Å; F71-V92 HydrophobicContact CD1-CG1 4.13Å; F71-V92 HydrophobicContact CD1-CG2 4.49Å; F71-V92 HydrophobicContact CD2-CG2 3.73Å; F71-V92 HydrophobicContact CE2-CG2 4.33Å; F71-V92 HydrophobicContact CG-CB 4.47Å; F71-V92 HydrophobicContact CG-CG1 3.95Å; F71-V92 HydrophobicContact CG-CG2 3.81Å; L73-V92 HydrophobicContact CD2-CG1 4.02Å; M81-V92 HydrophobicContact CE-CG2 4.25Å; M81-V92 HydrophobicContact CG-CG2 3.49Å; M81-V92 VanDerWaalsContact CG-CG2 3.49Å; M81-V92 HydrophobicContact SD-CG2 3.74Å; C88-V92 VanDerWaalsContact O-CG2 3.28Å; C88-V92 WeakPolarHBondContact O-CG2 3.13Å; C88-V92 PolarHBondContact O-N 3.34Å; R89-V92 PolarHBondContact O-N 2.9Å; A90-V92 PolarHBondContact O-N 3.05Å; V92-R94 VanDerWaalsContact C-N 3.29Å; V92-R94 PolarHBondContact O-N 3.05Å; V92-A95 PolarHBondContact O-N 3.14Å; V92-R96 WeakPolarHBondContact O-CG 3.24Å; V92-R96 PolarHBondContact O-N 2.6Å; V92-M139 HydrophobicContact CG2-CE 4.39Å
93Q98.8Very high98.1Very high115 Ų11552.1 Ų52.154%0.53726%0.264SS..Hα-helixtrans-63.9-38.7176.9-70-60.7-19.700111.6R89 A90 R96 Y97R89-Q93 WeakPolarHBondContact O-CG 3.21Å; R89-Q93 PolarHBondContact O-N 2.9Å; A90-Q93 PolarHBondContact O-N 3.13Å; Q93-R96 PolarHBondContact O-N 3Å; Q93-Y97 PolarHBondContact O-N 3.38Å
94R98.8Very high98.2Very high85 Ų8560 Ų6032%0.32130%0.301SS..Hα-helixtrans-62.4-44.3174.3-17360.6174.4153.213.2111.9A90 Q91 V92 Y97 E98 I119 I122A90-R94 PolarHBondContact O-N 2.68Å; Q91-R94 WeakPolarHBondContact O-CB 3.28Å; Q91-R94 PolarHBondContact O-N 3.13Å; V92-R94 VanDerWaalsContact C-N 3.29Å; V92-R94 PolarHBondContact O-N 3.05Å; R94-Y97 VanDerWaalsContact NH1-CD1 3.31Å; R94-Y97 WeakPolarHBondContact O-CB 3.47Å; R94-Y97 PolarHBondContact O-N 2.97Å; R94-E98 IonicContact CZ-OE1 3.76Å; R94-E98 IonicContact NE-OE1 2.65Å; R94-E98 IonicContact NH1-OE1 3.8Å; R94-E98 PolarHBondContact NH1-OE1 2.85Å; R94-E98 VanDerWaalsContact NH1-OE1 3.16Å; R94-E98 IonicContact NH2-OE1 2.79Å; R94-E98 PolarHBondContact NH2-OE1 3.33Å; R94-E98 WeakPolarHBondContact O-CG 3.04Å; R94-E98 PolarHBondContact O-N 2.91Å; R94-I119 HydrophobicContact CG-CD1 4.24Å; R94-I122 HydrophobicContact CG-CD1 3.87Å; R94-I122 HydrophobicContact CG-CG2 4.46Å
95A98.9Very high98.3Very high0 Ų063.4 Ų63.40%031%0.313CS..Hα-helixtrans-62.4-43.9176.600000112.6L73 Q91 V92 Y97 E98 A99 I119 M139L73-A95 HydrophobicContact CD1-CB 4.1Å; L73-A95 HydrophobicContact CD2-CB 3.94Å; Q91-A95 WeakPolarHBondContact O-CB 3.37Å; Q91-A95 PolarHBondContact O-N 3.49Å; V92-A95 PolarHBondContact O-N 3.14Å; A95-Y97 VanDerWaalsContact C-N 3.31Å; A95-Y97 PolarHBondContact O-N 3.26Å; A95-E98 PolarHBondContact O-N 3.01Å; A95-A99 WeakPolarHBondContact O-CB 3.29Å; A95-A99 PolarHBondContact O-N 3.28Å; A95-I119 HydrophobicContact CB-CD1 3.73Å; A95-I119 HydrophobicContact CB-CG1 4.07Å; A95-M139 HydrophobicContact CB-CE 4.13Å
96R98.9Very high98.4Very high82 Ų8267 Ų6731%0.30932%0.32SS..Hα-helixtrans-58.8-43.1174-74.1171.6174.1163.4-2.5112.3R72 L73 V92 Q93 A100R72-R96 VanDerWaalsContact O-CZ 3.32Å; R72-R96 PolarHBondContact O-NE 3.34Å; R72-R96 PolarHBondContact O-NH2 3.27Å; L73-R96 HydrophobicContact CD2-CG 4.29Å; V92-R96 WeakPolarHBondContact O-CG 3.24Å; V92-R96 PolarHBondContact O-N 2.6Å; Q93-R96 PolarHBondContact O-N 3Å; R96-A100 WeakPolarHBondContact O-CB 3.47Å; R96-A100 PolarHBondContact O-N 3.14Å
97Y98.8Very high98.5Very high138 Ų13866.2 Ų66.254%0.54133%0.327SS..Hα-helixtrans-61.7-49.2176.6173.2-90.1000111.9Q93 R94 A95 A99 A100 S101Q93-Y97 PolarHBondContact O-N 3.38Å; R94-Y97 VanDerWaalsContact NH1-CD1 3.31Å; R94-Y97 WeakPolarHBondContact O-CB 3.47Å; R94-Y97 PolarHBondContact O-N 2.97Å; A95-Y97 VanDerWaalsContact C-N 3.31Å; A95-Y97 PolarHBondContact O-N 3.26Å; Y97-A99 VanDerWaalsContact C-N 3.34Å; Y97-A99 PolarHBondContact O-N 3.13Å; Y97-A100 PolarHBondContact O-N 2.88Å; Y97-S101 VanDerWaalsContact O-CB 3.24Å; Y97-S101 WeakPolarHBondContact O-CB 3.41Å; Y97-S101 PolarHBondContact O-N 3.04Å
98E98.8Very high98.4Very high27 Ų2771 Ų7113%0.12635%0.345CS..Hα-helixtrans-63.6-41179.9-66.7-64.5135.400111.3R94 A95 S101 F102 L115 R118 I122R94-E98 IonicContact CZ-OE1 3.76Å; R94-E98 IonicContact NE-OE1 2.65Å; R94-E98 IonicContact NH1-OE1 3.8Å; R94-E98 PolarHBondContact NH1-OE1 2.85Å; R94-E98 VanDerWaalsContact NH1-OE1 3.16Å; R94-E98 IonicContact NH2-OE1 2.79Å; R94-E98 PolarHBondContact NH2-OE1 3.33Å; R94-E98 WeakPolarHBondContact O-CG 3.04Å; R94-E98 PolarHBondContact O-N 2.91Å; A95-E98 PolarHBondContact O-N 3.01Å; E98-S101 PolarHBondContact O-N 3.16Å; E98-F102 WeakPolarHBondContact O-CB 3.47Å; E98-F102 PolarHBondContact O-N 3.26Å; E98-L115 HydrophobicContact CB-CD1 4.15Å; E98-R118 HydrophobicContact CB-CG 4.19Å; E98-R118 HydrophobicContact CG-CG 3.94Å; E98-R118 WeakPolarHBondContact OE2-CG 3.49Å; E98-R118 IonicContact OE2-CZ 3.32Å; E98-R118 IonicContact OE2-NE 3.68Å; E98-R118 PolarHBondContact OE2-NE 3.48Å; E98-R118 IonicContact OE2-NH2 2.67Å; E98-I122 HydrophobicContact CG-CD1 3.96Å
99A98.7Very high98.3Very high3 Ų372.9 Ų72.93%0.02535%0.353CS..Hα-helixtrans-63.4-45.4176.900000112.8T74 A95 Y97 F102 K103 V110 L115T74-A99 HydrophobicContact CG2-CB 3.59Å; A95-A99 WeakPolarHBondContact O-CB 3.29Å; A95-A99 PolarHBondContact O-N 3.28Å; Y97-A99 VanDerWaalsContact C-N 3.34Å; Y97-A99 PolarHBondContact O-N 3.13Å; A99-F102 PolarHBondContact O-N 2.91Å; A99-K103 PolarHBondContact O-N 3.39Å; A99-V110 HydrophobicContact CB-CG1 3.6Å; A99-L115 HydrophobicContact CB-CD1 4.04Å; A99-L115 HydrophobicContact CB-CD2 4.16Å
100A98.7Very high98.3Very high62 Ų6266.1 Ų66.151%0.51233%0.328SS..Hα-helixtrans-65.4-41.1176.600000111.8R96 Y97 K103 H104R96-A100 WeakPolarHBondContact O-CB 3.47Å; R96-A100 PolarHBondContact O-N 3.14Å; Y97-A100 PolarHBondContact O-N 2.88Å; A100-K103 PolarHBondContact O-N 2.89Å; A100-H104 WeakPolarHBondContact O-CB 3.25Å; A100-H104 PolarHBondContact O-N 2.78Å
101S98.7Very high98.2Very high25 Ų2564.9 Ų64.918%0.17532%0.316CS..Hα-helixtrans-61.9-42.6176.1-172.90000111.7Y97 E98 H104 K105Y97-S101 VanDerWaalsContact O-CB 3.24Å; Y97-S101 WeakPolarHBondContact O-CB 3.41Å; Y97-S101 PolarHBondContact O-N 3.04Å; E98-S101 PolarHBondContact O-N 3.16Å; S101-H104 PolarHBondContact O-N 2.81Å; S101-K105 WeakPolarHBondContact O-CB 3.37Å; S101-K105 VanDerWaalsContact O-CG 3.28Å; S101-K105 WeakPolarHBondContact O-CG 3.33Å; S101-K105 PolarHBondContact O-N 3.16Å
102F98.6Very high98.2Very high30 Ų3064.8 Ų64.813%0.13232%0.315CS..Hα-helixtrans-58.9-53.3174.1-176.2-79.4000111E98 A99 H104 K105 F106 Y108 V110 V114E98-F102 WeakPolarHBondContact O-CB 3.47Å; E98-F102 PolarHBondContact O-N 3.26Å; A99-F102 PolarHBondContact O-N 2.91Å; F102-H104 VanDerWaalsContact C-N 3.27Å; F102-H104 PolarHBondContact O-N 2.66Å; F102-K105 PolarHBondContact O-N 3.3Å; F102-F106 HydrophobicContact CB-CD2 4.44Å; F102-F106 HydrophobicContact CD1-CB 4.48Å; F102-F106 AromaticContact CD1-CD2 3.91Å; F102-F106 HydrophobicContact CD1-CD2 3.91Å; F102-F106 AromaticContact CD2-CD2 3.47Å; F102-F106 HydrophobicContact CD2-CD2 3.47Å; F102-F106 VanDerWaalsContact CD2-CD2 3.47Å; F102-F106 AromaticContact CD2-CE2 3.6Å; F102-F106 HydrophobicContact CD2-CE2 3.6Å; F102-F106 HydrophobicContact CE1-CB 4.13Å; F102-F106 AromaticContact CE1-CD2 3.92Å; F102-F106 HydrophobicContact CE1-CD2 3.92Å; F102-F106 HydrophobicContact CE1-CG 4.42Å; F102-F106 AromaticContact CE2-CD2 3.49Å; F102-F106 HydrophobicContact CE2-CD2 3.49Å; F102-F106 VanDerWaalsContact CE2-CD2 3.49Å; F102-F106 AromaticContact CE2-CE2 3.7Å; F102-F106 HydrophobicContact CE2-CE2 3.7Å; F102-F106 HydrophobicContact CE2-CG 4.42Å; F102-F106 AromaticContact CG-CD2 3.69Å; F102-F106 HydrophobicContact CG-CD2 3.69Å; F102-F106 HydrophobicContact CG-CE2 4.19Å; F102-F106 HydrophobicContact CZ-CB 4.39Å; F102-F106 AromaticContact CZ-CD2 3.72Å; F102-F106 HydrophobicContact CZ-CD2 3.72Å; F102-F106 HydrophobicContact CZ-CE2 4.36Å; F102-F106 HydrophobicContact CZ-CG 4.28Å; F102-F106 VanDerWaalsContact O-CD2 3.31Å; F102-F106 WeakPolarHBondContact O-CD2 3.49Å; F102-F106 PolarHBondContact O-N 2.97Å; F102-Y108 HydrophobicContact CE1-CD1 4.36Å; F102-Y108 HydrophobicContact CE1-CD2 4.19Å; F102-Y108 AromaticContact CE1-CE1 3.94Å; F102-Y108 HydrophobicContact CE1-CE1 3.94Å; F102-Y108 AromaticContact CE1-CE2 3.77Å; F102-Y108 HydrophobicContact CE1-CE2 3.77Å; F102-Y108 HydrophobicContact CE1-CG 4.47Å; F102-Y108 AromaticContact CE1-CZ 3.64Å; F102-Y108 HydrophobicContact CZ-CE1 4.11Å; F102-Y108 HydrophobicContact CZ-CE2 4Å; F102-Y108 AromaticContact CZ-CZ 3.59Å; F102-Y108 WeakPolarHBondContact CZ-OH 3.32Å; F102-V110 HydrophobicContact CB-CB 3.98Å; F102-V110 HydrophobicContact CB-CG2 4.11Å; F102-V110 HydrophobicContact CD1-CB 3.52Å; F102-V110 HydrophobicContact CD1-CG2 3.87Å; F102-V110 HydrophobicContact CD2-CB 4.29Å; F102-V110 HydrophobicContact CD2-CG2 3.74Å; F102-V110 HydrophobicContact CE1-CB 4.05Å; F102-V110 HydrophobicContact CE1-CG2 4.22Å; F102-V110 HydrophobicContact CE2-CG2 4.09Å; F102-V110 HydrophobicContact CG-CB 3.66Å; F102-V110 HydrophobicContact CG-CG2 3.62Å; F102-V110 HydrophobicContact CZ-CG2 4.31Å; F102-V114 HydrophobicContact CD2-CG1 4.41Å; F102-V114 HydrophobicContact CE2-CG1 3.98Å
103K98.1Very high98.1Very high96 Ų9666.9 Ų66.942%0.41733%0.327SS..Hα-helixtrans-59.4-39.2-179.1-170.8168.3-169.7165.40112.3A99 A100 G107 Y108 E109A99-K103 PolarHBondContact O-N 3.39Å; A100-K103 PolarHBondContact O-N 2.89Å; K103-G107 VanDerWaalsContact O-CA 3.3Å; K103-G107 WeakPolarHBondContact O-CA 3.47Å; K103-G107 PolarHBondContact O-N 3.42Å; K103-Y108 VanDerWaalsContact CA-O 3.3Å; K103-Y108 WeakPolarHBondContact CA-O 3.25Å; K103-E109 IonicContact NZ-OE2 3.04Å; K103-E109 PolarHBondContact NZ-OE2 2.89Å
104H98.5Very high98Very high166 Ų16664.2 Ų64.277%0.76932%0.318SS*.Hα-helixtrans-63.8-41.1175.2179.864.2000112.9A100 S101 F102A100-H104 WeakPolarHBondContact O-CB 3.25Å; A100-H104 PolarHBondContact O-N 2.78Å; S101-H104 PolarHBondContact O-N 2.81Å; F102-H104 VanDerWaalsContact C-N 3.27Å; F102-H104 PolarHBondContact O-N 2.66Å
105K98.5Very high98Very high145 Ų14560.3 Ų60.363%0.6330%0.303SS*.Hα-helixtrans-77.2-39.9-177-72.5172.8-176.6177.80113.4S101 F102S101-K105 WeakPolarHBondContact O-CB 3.37Å; S101-K105 VanDerWaalsContact O-CG 3.28Å; S101-K105 WeakPolarHBondContact O-CG 3.33Å; S101-K105 PolarHBondContact O-N 3.16Å; F102-K105 PolarHBondContact O-N 3.3Å
106F98Very high98Very high126 Ų12660.3 Ų60.355%0.55330%0.303SS*.Hα-helixtrans-108.9-12.6-169.3-57-66.6000113.6F102 Y108F102-F106 HydrophobicContact CB-CD2 4.44Å; F102-F106 HydrophobicContact CD1-CB 4.48Å; F102-F106 AromaticContact CD1-CD2 3.91Å; F102-F106 HydrophobicContact CD1-CD2 3.91Å; F102-F106 AromaticContact CD2-CD2 3.47Å; F102-F106 HydrophobicContact CD2-CD2 3.47Å; F102-F106 VanDerWaalsContact CD2-CD2 3.47Å; F102-F106 AromaticContact CD2-CE2 3.6Å; F102-F106 HydrophobicContact CD2-CE2 3.6Å; F102-F106 HydrophobicContact CE1-CB 4.13Å; F102-F106 AromaticContact CE1-CD2 3.92Å; F102-F106 HydrophobicContact CE1-CD2 3.92Å; F102-F106 HydrophobicContact CE1-CG 4.42Å; F102-F106 AromaticContact CE2-CD2 3.49Å; F102-F106 HydrophobicContact CE2-CD2 3.49Å; F102-F106 VanDerWaalsContact CE2-CD2 3.49Å; F102-F106 AromaticContact CE2-CE2 3.7Å; F102-F106 HydrophobicContact CE2-CE2 3.7Å; F102-F106 HydrophobicContact CE2-CG 4.42Å; F102-F106 AromaticContact CG-CD2 3.69Å; F102-F106 HydrophobicContact CG-CD2 3.69Å; F102-F106 HydrophobicContact CG-CE2 4.19Å; F102-F106 HydrophobicContact CZ-CB 4.39Å; F102-F106 AromaticContact CZ-CD2 3.72Å; F102-F106 HydrophobicContact CZ-CD2 3.72Å; F102-F106 HydrophobicContact CZ-CE2 4.36Å; F102-F106 HydrophobicContact CZ-CG 4.28Å; F102-F106 VanDerWaalsContact O-CD2 3.31Å; F102-F106 WeakPolarHBondContact O-CD2 3.49Å; F102-F106 PolarHBondContact O-N 2.97Å; F106-Y108 HydrophobicContact CB-CD1 3.92Å; F106-Y108 HydrophobicContact CB-CE1 3.66Å; F106-Y108 WeakPolarHBondContact O-CD1 3.44Å; F106-Y108 PolarHBondContact O-N 2.96Å
107G97.6Very high98Very high68 Ų6860.6 Ų60.670%0.70131%0.308SS*.SBendtrans832.9172.900000115.7K103K103-G107 VanDerWaalsContact O-CA 3.3Å; K103-G107 WeakPolarHBondContact O-CA 3.47Å; K103-G107 PolarHBondContact O-N 3.42Å
108Y96.2Very high98Very high113 Ų11358.6 Ų58.644%0.44330%0.3SS..SBendtrans-135.8164.9176.570.1-79.9000111.5F102 K103 F106 P111F102-Y108 HydrophobicContact CE1-CD1 4.36Å; F102-Y108 HydrophobicContact CE1-CD2 4.19Å; F102-Y108 AromaticContact CE1-CE1 3.94Å; F102-Y108 HydrophobicContact CE1-CE1 3.94Å; F102-Y108 AromaticContact CE1-CE2 3.77Å; F102-Y108 HydrophobicContact CE1-CE2 3.77Å; F102-Y108 HydrophobicContact CE1-CG 4.47Å; F102-Y108 AromaticContact CE1-CZ 3.64Å; F102-Y108 HydrophobicContact CZ-CE1 4.11Å; F102-Y108 HydrophobicContact CZ-CE2 4Å; F102-Y108 AromaticContact CZ-CZ 3.59Å; F102-Y108 WeakPolarHBondContact CZ-OH 3.32Å; K103-Y108 VanDerWaalsContact CA-O 3.3Å; K103-Y108 WeakPolarHBondContact CA-O 3.25Å; F106-Y108 HydrophobicContact CB-CD1 3.92Å; F106-Y108 HydrophobicContact CB-CE1 3.66Å; F106-Y108 WeakPolarHBondContact O-CD1 3.44Å; F106-Y108 PolarHBondContact O-N 2.96Å; Y108-P111 HydrophobicContact CE2-CG 4.28Å
109E95.8Very high98Very high44 Ų4457.4 Ų57.421%0.20629%0.294CS..PPolyproline II helixtrans-68.1139.9-179.6-166.7141.7135.300111.5T74 D75 S76 K103 P111T74-E109 WeakPolarHBondContact CB-OE1 3.37Å; T74-E109 HydrophobicContact CG2-CG 4.3Å; T74-E109 PolarHBondContact OG1-OE1 2.88Å; D75-E109 PolarHBondContact N-OE1 3.29Å; S76-E109 WeakPolarHBondContact CB-OE1 3.42Å; S76-E109 PolarHBondContact N-OE1 2.8Å; S76-E109 PolarHBondContact OG-OE1 2.83Å; K103-E109 IonicContact NZ-OE2 3.04Å; K103-E109 PolarHBondContact NZ-OE2 2.89Å; E109-P111 WeakPolarHBondContact O-CD 3.36Å
110V97.6Very high98Very high6 Ų657.3 Ų57.34%0.03629%0.294CS..PPolyproline II helixtrans-66.6130.5-178.866.30000110.4T74 A99 F102 V114 L115T74-V110 HydrophobicContact CG2-CG1 4.23Å; A99-V110 HydrophobicContact CB-CG1 3.6Å; F102-V110 HydrophobicContact CB-CB 3.98Å; F102-V110 HydrophobicContact CB-CG2 4.11Å; F102-V110 HydrophobicContact CD1-CB 3.52Å; F102-V110 HydrophobicContact CD1-CG2 3.87Å; F102-V110 HydrophobicContact CD2-CB 4.29Å; F102-V110 HydrophobicContact CD2-CG2 3.74Å; F102-V110 HydrophobicContact CE1-CB 4.05Å; F102-V110 HydrophobicContact CE1-CG2 4.22Å; F102-V110 HydrophobicContact CE2-CG2 4.09Å; F102-V110 HydrophobicContact CG-CB 3.66Å; F102-V110 HydrophobicContact CG-CG2 3.62Å; F102-V110 HydrophobicContact CZ-CG2 4.31Å; V110-V114 HydrophobicContact CG2-CB 4.1Å; V110-V114 HydrophobicContact CG2-CG1 3.96Å; V110-L115 HydrophobicContact CG1-CB 3.96Å; V110-L115 HydrophobicContact CG1-CD1 4.37Å; V110-L115 HydrophobicContact CG1-CD2 4.07Å; V110-L115 HydrophobicContact CG1-CG 4.36Å; V110-L115 HydrophobicContact CG2-CB 4.01Å
111P97.1Very high98Very high27 Ų2759.4 Ų59.418%0.17529%0.293CS..PPolyproline II helixtrans-61.1144.9169.3-25.436.4000111.5Y108 E109 D113 V114 L115Y108-P111 HydrophobicContact CE2-CG 4.28Å; E109-P111 WeakPolarHBondContact O-CD 3.36Å; P111-D113 VanDerWaalsContact C-N 3.33Å; P111-D113 WeakPolarHBondContact CB-OD1 3.35Å; P111-D113 PolarHBondContact O-N 2.83Å; P111-V114 HydrophobicContact CB-CB 4.27Å; P111-V114 HydrophobicContact CB-CG2 3.97Å; P111-V114 HydrophobicContact CG-CG2 4.15Å; P111-V114 PolarHBondContact O-N 3.06Å; P111-L115 PolarHBondContact O-N 3.18Å
112C97.6Very high98Very high1 Ų159 Ų591%0.00729%0.289CS..Hα-helixtrans-62.9-39.3-174.6178.30000112.5T77 L115 L116 S143T77-C112 HydrophobicContact CG2-CB 4.15Å; C112-L115 PolarHBondContact O-N 2.97Å; C112-L116 WeakPolarHBondContact O-CB 3.26Å; C112-L116 WeakPolarHBondContact O-CD2 3.42Å; C112-L116 PolarHBondContact O-N 2.81Å; C112-S143 WeakPolarHBondContact CB-OG 3.3Å
113D97Very high97.9Very high46 Ų4657.7 Ų57.725%0.24628%0.283CS..Hα-helixtrans-61.8-46.1175.567.4-43.7000111.4P111 L115 L116 H117 Y154P111-D113 VanDerWaalsContact C-N 3.33Å; P111-D113 WeakPolarHBondContact CB-OD1 3.35Å; P111-D113 PolarHBondContact O-N 2.83Å; D113-L115 PolarHBondContact O-N 2.88Å; D113-L116 PolarHBondContact O-N 3.48Å; D113-H117 WeakPolarHBondContact O-CB 3.35Å; D113-H117 PolarHBondContact O-CD2 3.46Å; D113-H117 PolarHBondContact O-N 3.43Å; D113-Y154 HydrophobicContact CB-CD1 4.47Å; D113-Y154 HydrophobicContact CB-CE1 3.75Å; D113-Y154 HydrophobicContact CB-CE2 3.84Å; D113-Y154 WeakPolarHBondContact CB-OH 3.49Å
114V97.8Very high97.9Very high59 Ų5956.3 Ų56.336%0.35828%0.278SS..Hα-helixtrans-61.1-45.4177176.90000110.9F102 V110 P111 R118F102-V114 HydrophobicContact CD2-CG1 4.41Å; F102-V114 HydrophobicContact CE2-CG1 3.98Å; V110-V114 HydrophobicContact CG2-CB 4.1Å; V110-V114 HydrophobicContact CG2-CG1 3.96Å; P111-V114 HydrophobicContact CB-CB 4.27Å; P111-V114 HydrophobicContact CB-CG2 3.97Å; P111-V114 HydrophobicContact CG-CG2 4.15Å; P111-V114 PolarHBondContact O-N 3.06Å; V114-R118 WeakPolarHBondContact O-CB 3.5Å; V114-R118 PolarHBondContact O-N 3.27Å
115L98.6Very high97.9Very high2 Ų252 Ų521%0.0126%0.263CS..Hα-helixtrans-61.9-46.2177.7179.358.6000111.7L73 T77 E98 A99 V110 P111 C112 D113 R118 I119L73-L115 HydrophobicContact CB-CD2 4.35Å; L73-L115 HydrophobicContact CD1-CD2 3.96Å; T77-L115 HydrophobicContact CG2-CD2 4.48Å; E98-L115 HydrophobicContact CB-CD1 4.15Å; A99-L115 HydrophobicContact CB-CD1 4.04Å; A99-L115 HydrophobicContact CB-CD2 4.16Å; V110-L115 HydrophobicContact CG1-CB 3.96Å; V110-L115 HydrophobicContact CG1-CD1 4.37Å; V110-L115 HydrophobicContact CG1-CD2 4.07Å; V110-L115 HydrophobicContact CG1-CG 4.36Å; V110-L115 HydrophobicContact CG2-CB 4.01Å; P111-L115 PolarHBondContact O-N 3.18Å; C112-L115 PolarHBondContact O-N 2.97Å; D113-L115 PolarHBondContact O-N 2.88Å; L115-R118 WeakPolarHBondContact O-CB 3.34Å; L115-R118 PolarHBondContact O-N 3.28Å; L115-I119 WeakPolarHBondContact O-CG1 3.28Å; L115-I119 PolarHBondContact O-N 3.04Å
116L98.4Very high97.8Very high0 Ų047.7 Ų47.70%024%0.243CC..Hα-helixtrans-71.5-35.8-177.5-89-73.1000111.6C112 D113 R118 I119 G120 M139 A141 V162C112-L116 WeakPolarHBondContact O-CB 3.26Å; C112-L116 WeakPolarHBondContact O-CD2 3.42Å; C112-L116 PolarHBondContact O-N 2.81Å; D113-L116 PolarHBondContact O-N 3.48Å; L116-R118 VanDerWaalsContact C-N 3.31Å; L116-R118 PolarHBondContact O-N 2.78Å; L116-I119 PolarHBondContact O-N 2.91Å; L116-I119 VanDerWaalsContact O-N 3.17Å; L116-G120 PolarHBondContact O-N 2.63Å; L116-M139 HydrophobicContact CD1-CB 4.4Å; L116-M139 HydrophobicContact CD1-CG 4.05Å; L116-M139 HydrophobicContact CD1-SD 3.72Å; L116-M139 HydrophobicContact CD2-SD 4.39Å; L116-A141 HydrophobicContact CD1-CB 4.23Å; L116-A141 HydrophobicContact CD2-CB 3.46Å; L116-A141 VanDerWaalsContact CD2-CB 3.46Å; L116-A141 HydrophobicContact CG-CB 3.9Å; L116-V162 HydrophobicContact CB-CG1 3.93Å; L116-V162 VanDerWaalsContact O-CG2 3.26Å; L116-V162 WeakPolarHBondContact O-CG2 3.44Å
117H98.6Very high97.8Very high89 Ų8942.3 Ų42.341%0.41222%0.221SC..Hα-helixtrans-59.5-43.2170.3-86.9-64.9000111.4D113 I119 G120 E121D113-H117 WeakPolarHBondContact O-CB 3.35Å; D113-H117 PolarHBondContact O-CD2 3.46Å; D113-H117 PolarHBondContact O-N 3.43Å; H117-I119 VanDerWaalsContact C-N 3.28Å; H117-I119 PolarHBondContact O-N 2.94Å; H117-G120 WeakPolarHBondContact O-CA 3.37Å; H117-G120 PolarHBondContact O-N 2.97Å; H117-G120 VanDerWaalsContact O-N 3.09Å; H117-E121 WeakPolarHBondContact O-CG 3.44Å; H117-E121 PolarHBondContact O-N 3.39Å
118R98.7Very high97.7Very high96 Ų9645.7 Ų45.736%0.36222%0.218SC..Hα-helixtrans-60.5-38.5175.1-176.755.2177.71633.5112.5E98 V114 L115 L116 E121 I122E98-R118 HydrophobicContact CB-CG 4.19Å; E98-R118 HydrophobicContact CG-CG 3.94Å; E98-R118 WeakPolarHBondContact OE2-CG 3.49Å; E98-R118 IonicContact OE2-CZ 3.32Å; E98-R118 IonicContact OE2-NE 3.68Å; E98-R118 PolarHBondContact OE2-NE 3.48Å; E98-R118 IonicContact OE2-NH2 2.67Å; V114-R118 WeakPolarHBondContact O-CB 3.5Å; V114-R118 PolarHBondContact O-N 3.27Å; L115-R118 WeakPolarHBondContact O-CB 3.34Å; L115-R118 PolarHBondContact O-N 3.28Å; L116-R118 VanDerWaalsContact C-N 3.31Å; L116-R118 PolarHBondContact O-N 2.78Å; R118-E121 WeakPolarHBondContact CD-OE2 3.49Å; R118-E121 IonicContact CZ-OE2 3.42Å; R118-E121 IonicContact NH1-OE2 2.85Å; R118-E121 PolarHBondContact NH1-OE2 3.1Å; R118-E121 PolarHBondContact O-N 3.18Å; R118-I122 HydrophobicContact CG-CD1 4.29Å; R118-I122 WeakPolarHBondContact O-CD1 3.32Å; R118-I122 WeakPolarHBondContact O-CG1 3.37Å; R118-I122 PolarHBondContact O-N 2.9Å; R118-I122 VanDerWaalsContact O-N 3.15Å
119I98.7Very high97.6Very high1 Ų142.1 Ų42.11%0.00521%0.21CC..Hα-helixtrans-67.5-39.3174.1-65.6-66.6000111.7Q91 R94 A95 L115 L116 H117 I122 N123Q91-I119 HydrophobicContact CG-CG2 3.96Å; R94-I119 HydrophobicContact CG-CD1 4.24Å; A95-I119 HydrophobicContact CB-CD1 3.73Å; A95-I119 HydrophobicContact CB-CG1 4.07Å; L115-I119 WeakPolarHBondContact O-CG1 3.28Å; L115-I119 PolarHBondContact O-N 3.04Å; L116-I119 PolarHBondContact O-N 2.91Å; L116-I119 VanDerWaalsContact O-N 3.17Å; H117-I119 VanDerWaalsContact C-N 3.28Å; H117-I119 PolarHBondContact O-N 2.94Å; I119-I122 HydrophobicContact CD1-CD1 4.36Å; I119-I122 PolarHBondContact O-N 2.79Å; I119-N123 VanDerWaalsContact O-CG 3.26Å; I119-N123 PolarHBondContact O-N 2.92Å; I119-N123 PolarHBondContact O-OD1 2.78Å
120G98.6Very high97.4Very high2 Ų242.7 Ų42.72%0.02122%0.222CC..Hα-helixtrans-57.9-46.7172.600000112.7L116 H117 I122 N123 Q124 G160L116-G120 PolarHBondContact O-N 2.63Å; H117-G120 WeakPolarHBondContact O-CA 3.37Å; H117-G120 PolarHBondContact O-N 2.97Å; H117-G120 VanDerWaalsContact O-N 3.09Å; G120-I122 VanDerWaalsContact C-N 3.32Å; G120-I122 PolarHBondContact O-N 2.64Å; G120-N123 PolarHBondContact O-N 3.05Å; G120-Q124 WeakPolarHBondContact O-CB 3.48Å; G120-Q124 PolarHBondContact O-N 3.04Å; G120-G160 WeakPolarHBondContact CA-O 3.44Å; G120-G160 WeakPolarHBondContact O-CA 3.46Å
121E98.6Very high97.2Very high105 Ų10550.7 Ų50.749%0.49126%0.259SS..Hα-helixtrans-58.5-43.2175.3-68.9174173.500112.1H117 R118 Q124 V125H117-E121 WeakPolarHBondContact O-CG 3.44Å; H117-E121 PolarHBondContact O-N 3.39Å; R118-E121 WeakPolarHBondContact CD-OE2 3.49Å; R118-E121 IonicContact CZ-OE2 3.42Å; R118-E121 IonicContact NH1-OE2 2.85Å; R118-E121 PolarHBondContact NH1-OE2 3.1Å; R118-E121 PolarHBondContact O-N 3.18Å; E121-Q124 WeakPolarHBondContact O-CB 3.39Å; E121-Q124 PolarHBondContact O-N 2.84Å; E121-V125 PolarHBondContact O-N 2.84Å
122I98.5Very high97.1Very high17 Ų1754.3 Ų54.39%0.08728%0.275CS..Hα-helixtrans-65.2-43.2177.6-68.3158.8000110.7R94 E98 R118 I119 G120 Q124 V125 Y126R94-I122 HydrophobicContact CG-CD1 3.87Å; R94-I122 HydrophobicContact CG-CG2 4.46Å; E98-I122 HydrophobicContact CG-CD1 3.96Å; R118-I122 HydrophobicContact CG-CD1 4.29Å; R118-I122 WeakPolarHBondContact O-CD1 3.32Å; R118-I122 WeakPolarHBondContact O-CG1 3.37Å; R118-I122 PolarHBondContact O-N 2.9Å; R118-I122 VanDerWaalsContact O-N 3.15Å; I119-I122 HydrophobicContact CD1-CD1 4.36Å; I119-I122 PolarHBondContact O-N 2.79Å; G120-I122 VanDerWaalsContact C-N 3.32Å; G120-I122 PolarHBondContact O-N 2.64Å; I122-Q124 VanDerWaalsContact C-N 3.29Å; I122-Q124 PolarHBondContact O-N 2.84Å; I122-V125 PolarHBondContact O-N 3.11Å; I122-Y126 HydrophobicContact CG2-CE2 4.15Å
123N98.2Very high97Very high3 Ų360 Ų602%0.01630%0.296CS..Hα-helixtrans-62.6-39.7177-69.6-10.6000111.4Q91 I119 G120 V125 Y126 S156 D157Q91-N123 VanDerWaalsContact NE2-CG 3.31Å; Q91-N123 PolarHBondContact NE2-ND2 2.95Å; Q91-N123 PolarHBondContact NE2-OD1 3.38Å; I119-N123 VanDerWaalsContact O-CG 3.26Å; I119-N123 PolarHBondContact O-N 2.92Å; I119-N123 PolarHBondContact O-OD1 2.78Å; G120-N123 PolarHBondContact O-N 3.05Å; N123-V125 VanDerWaalsContact C-N 3.26Å; N123-V125 PolarHBondContact O-N 2.79Å; N123-Y126 WeakPolarHBondContact O-CB 3.38Å; N123-Y126 PolarHBondContact O-N 2.91Å; N123-S156 PolarHBondContact ND2-OG 3.17Å; N123-D157 PolarHBondContact ND2-O 3.37Å; N123-D157 VanDerWaalsContact ND2-O 3.14Å
124Q98Very high97Very high67 Ų6757.9 Ų57.931%0.31329%0.285SS..Hα-helixtrans-59-36.4179.6-173-82.2-500112G120 E121 I122 Y126 T127 Q128G120-Q124 WeakPolarHBondContact O-CB 3.48Å; G120-Q124 PolarHBondContact O-N 3.04Å; E121-Q124 WeakPolarHBondContact O-CB 3.39Å; E121-Q124 PolarHBondContact O-N 2.84Å; I122-Q124 VanDerWaalsContact C-N 3.29Å; I122-Q124 PolarHBondContact O-N 2.84Å; Q124-Y126 VanDerWaalsContact C-N 3.25Å; Q124-Y126 PolarHBondContact O-N 2.92Å; Q124-T127 WeakPolarHBondContact O-CA 3.4Å; Q124-T127 WeakPolarHBondContact O-CB 3.36Å; Q124-T127 PolarHBondContact O-N 3.09Å; Q124-T127 PolarHBondContact O-OG1 3.35Å; Q124-Q128 PolarHBondContact O-N 2.92Å
125V98Very high97Very high74 Ų7456.3 Ų56.345%0.44827%0.274SS..Hα-helixtrans-58.2-38.7176.1175.20000111.7E121 I122 N123 T127 Q128 S129E121-V125 PolarHBondContact O-N 2.84Å; I122-V125 PolarHBondContact O-N 3.11Å; N123-V125 VanDerWaalsContact C-N 3.26Å; N123-V125 PolarHBondContact O-N 2.79Å; V125-T127 PolarHBondContact O-N 2.93Å; V125-Q128 PolarHBondContact O-N 3.15Å; V125-S129 WeakPolarHBondContact O-CB 3.16Å; V125-S129 PolarHBondContact O-N 3.23Å; V125-S129 PolarHBondContact O-OG 3.36Å
126Y97Very high97Very high56 Ų5656.2 Ų56.222%0.2227%0.274CS..Hα-helixtrans-68.1-18.9177.2-54-46.2000113.2I122 N123 Q124 M132 L135I122-Y126 HydrophobicContact CG2-CE2 4.15Å; N123-Y126 WeakPolarHBondContact O-CB 3.38Å; N123-Y126 PolarHBondContact O-N 2.91Å; Q124-Y126 VanDerWaalsContact C-N 3.25Å; Q124-Y126 PolarHBondContact O-N 2.92Å; Y126-M132 HydrophobicContact CD1-CB 4.11Å; Y126-M132 HydrophobicContact CE1-CE 4.45Å; Y126-L135 HydrophobicContact CD2-CG 4.24Å; Y126-L135 HydrophobicContact CE2-CD1 4.06Å; Y126-L135 HydrophobicContact CE2-CG 3.99Å
127T96.8Very high97Very high13 Ų1356.2 Ų56.28%0.0827%0.274CS..Hα-helixtrans-85.8-12.1177.274.40000113.6T15 V26 Q124 V125 P134 P158T15-T127 WeakPolarHBondContact CB-O 3.42Å; V26-T127 HydrophobicContact CG2-CG2 3.87Å; Q124-T127 WeakPolarHBondContact O-CA 3.4Å; Q124-T127 WeakPolarHBondContact O-CB 3.36Å; Q124-T127 PolarHBondContact O-N 3.09Å; Q124-T127 PolarHBondContact O-OG1 3.35Å; V125-T127 PolarHBondContact O-N 2.93Å; T127-P134 HydrophobicContact CG2-CG 4.39Å; T127-P158 WeakPolarHBondContact CG2-O 3.43Å
128Q96.3Very high96.9Very high138 Ų13852.1 Ų52.165%0.64526%0.255SS*.Hα-helixtrans-113.4-21.3-179.3-65.7-167.8-24.900112.9Q124 V125Q124-Q128 PolarHBondContact O-N 2.92Å; V125-Q128 PolarHBondContact O-N 3.15Å
129S93.6Very high96.9Very high38 Ų3847.5 Ų47.527%0.26624%0.238SC..  trans-91.8116.9179.5-52.50000110.2T15 V125 E131T15-S129 PolarHBondContact OG1-O 3.25Å; T15-S129 VanDerWaalsContact OG1-O 3.12Å; V125-S129 WeakPolarHBondContact O-CB 3.16Å; V125-S129 PolarHBondContact O-N 3.23Å; V125-S129 PolarHBondContact O-OG 3.36Å; S129-E131 VanDerWaalsContact C-N 3.25Å; S129-E131 PolarHBondContact O-N 2.86Å
130A92.2Very high96.9Very high56 Ų5647.5 Ų47.546%0.46324%0.238SC..THydrogen-bonded Turntrans-71.3-16.2-176.500000114.4M14 T15M14-A130 HydrophobicContact CB-CB 4.38Å; M14-A130 HydrophobicContact SD-CB 4.25Å; T15-A130 WeakPolarHBondContact OG1-CA 3.41Å
131E93.9Very high97Very high175 Ų17547.4 Ų47.482%0.81824%0.237SC*.THydrogen-bonded Turntrans-82.3-15.3-17872.8-167.8-170.800113.7S129S129-E131 VanDerWaalsContact C-N 3.25Å; S129-E131 PolarHBondContact O-N 2.86Å
132M94.3Very high97Very high102 Ų10242.4 Ų42.450%0.50221%0.214SC..SBendtrans-119.6152.6-178.5-62.3-63.8-81.100110.6Y126Y126-M132 HydrophobicContact CD1-CB 4.11Å; Y126-M132 HydrophobicContact CE1-CE 4.45Å
133R95.2Very high97Very high121 Ų12141.8 Ų41.846%0.45721%0.211SC..PPolyproline II helixtrans-92.8147.816665.4171.5-17578.6-1.6110.6D87D87-R133 IonicContact OD1-CZ 3.72Å; D87-R133 IonicContact OD1-NH1 3.11Å; D87-R133 IonicContact OD1-NH2 3.36Å; D87-R133 PolarHBondContact OD1-NH2 2.86Å; D87-R133 IonicContact OD2-CZ 3.98Å; D87-R133 IonicContact OD2-NH1 2.66Å; D87-R133 PolarHBondContact OD2-NH1 2.91Å; D87-R133 IonicContact OD2-NH2 2.92Å; D87-R133 PolarHBondContact OD2-NH2 3.25Å; D87-R133 VanDerWaalsContact OD2-NH2 3.11Å
134P97.3Very high97Very high1 Ų142.5 Ų42.51%0.00621%0.214CC..PPolyproline II helixtrans-56.7151.3163.7-22.934.1000111.7T15 V26 T29 T127 P158T15-P134 HydrophobicContact CG2-CG 4.41Å; V26-P134 HydrophobicContact CG2-CG 4.32Å; T29-P134 HydrophobicContact CG2-CB 4.05Å; T127-P134 HydrophobicContact CG2-CG 4.39Å; P134-P158 HydrophobicContact CB-CB 4.35Å
135L97.8Very high96.9Very high26 Ų2640.3 Ų40.314%0.13620%0.204CC..PPolyproline II helixtrans-73.3129.9176-63.3-177.4000109.9T29 D87 Q91 Y126 C137 P158T29-L135 WeakPolarHBondContact CG2-O 3.43Å; D87-L135 HydrophobicContact CB-CB 4.25Å; D87-L135 HydrophobicContact CB-CD2 4.25Å; Q91-L135 HydrophobicContact CB-CD1 4.07Å; Q91-L135 HydrophobicContact CG-CD1 4.41Å; Y126-L135 HydrophobicContact CD2-CG 4.24Å; Y126-L135 HydrophobicContact CE2-CD1 4.06Å; Y126-L135 HydrophobicContact CE2-CG 3.99Å; L135-C137 PolarHBondContact O-N 3.15Å; L135-P158 WeakPolarHBondContact O-CB 3.45Å; L135-P158 WeakPolarHBondContact O-CG 3.47Å
136G97.6Very high96.5Very high1 Ų143.8 Ų43.81%0.0122%0.215CC..SBendtrans-76.241-179.500000113.5G83 M84 D87G83-G136 CarbonylContact C-O 3.55Å; G83-G136 WeakPolarHBondContact CA-O 3.33Å; M84-G136 PolarHBondContact N-O 3.17Å; D87-G136 PolarHBondContact OD2-N 3.47Å
137C98.1Very high96.2Very high0 Ų049.2 Ų49.20%024%0.242CC..EExtended strand (participates in β ladder)trans-141.6157.6-176.365.50000113.1M81 T82 D87 C88 Q91 L135 P158M81-C137 HydrophobicContact CE-CB 4.44Å; T82-C137 CarbonylContact O-C 3.59Å; T82-C137 WeakPolarHBondContact O-CA 3.36Å; T82-C137 WeakPolarHBondContact O-CB 3.42Å; D87-C137 HydrophobicContact CB-CB 4.33Å; C88-C137 HydrophobicContact CB-CB 4.48Å; C88-C137 WeakPolarHBondContact SG-CB 3.47Å; Q91-C137 PolarHBondContact OE1-SG 3.42Å; Q91-C137 VanDerWaalsContact OE1-SG 3.36Å; L135-C137 PolarHBondContact O-N 3.15Å; C137-P158 WeakPolarHBondContact O-CG 3.5Å
138A98.3Very high96.1Very high2 Ų253.5 Ų53.52%0.01727%0.265CS..EExtended strand (participates in β ladder)trans-128.3148.7169.900000109.5I33 T82 S156 V170I33-A138 HydrophobicContact CD1-CB 3.86Å; T82-A138 PolarHBondContact N-O 3.47Å; T82-A138 PolarHBondContact O-N 3.48Å; A138-S156 WeakPolarHBondContact CA-O 3.38Å; A138-V170 HydrophobicContact CB-CG1 3.7Å
139M98.7Very high96Very high0 Ų048.6 Ų48.60%025%0.251CS..EExtended strand (participates in β ladder)trans-116.9125.1-176.9-179.2178.6-71.800108.9L73 C79 M81 Q91 V92 A95 L116 K155 S156L73-M139 HydrophobicContact CD1-SD 4.12Å; C79-M139 HydrophobicContact CB-CG 3.74Å; C79-M139 HydrophobicContact CB-SD 4.24Å; M81-M139 HydrophobicContact CE-CB 4.06Å; M81-M139 HydrophobicContact CE-CE 3.83Å; M81-M139 HydrophobicContact SD-CB 3.66Å; M81-M139 HydrophobicContact SD-CE 3.44Å; M81-M139 WeakPolarHBondContact SD-CE 3.25Å; M81-M139 HydrophobicContact SD-CG 3.58Å; M81-M139 VanDerWaalsContact SD-CG 3.58Å; M81-M139 HydrophobicContact SD-SD 4.34Å; Q91-M139 HydrophobicContact CG-CE 4.02Å; V92-M139 HydrophobicContact CG2-CE 4.39Å; A95-M139 HydrophobicContact CB-CE 4.13Å; L116-M139 HydrophobicContact CD1-CB 4.4Å; L116-M139 HydrophobicContact CD1-CG 4.05Å; L116-M139 HydrophobicContact CD1-SD 3.72Å; L116-M139 HydrophobicContact CD2-SD 4.39Å; M139-K155 CarbonylContact O-C 3.58Å; M139-K155 VanDerWaalsContact O-CA 3.32Å; M139-K155 WeakPolarHBondContact O-CA 3.4Å; M139-S156 PolarHBondContact N-O 2.9Å; M139-S156 PolarHBondContact O-N 3.41Å
140L98.8Very high96.2Very high1 Ų152.9 Ų52.91%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-105.3117.7164.6-60.1-176.3000108V51 C79 I80 Y154 K155 V168 V170V51-L140 HydrophobicContact CG1-CB 4.31Å; C79-L140 CarbonylContact C-O 3.6Å; C79-L140 WeakPolarHBondContact CA-O 3.08Å; C79-L140 VanDerWaalsContact CB-O 3.25Å; C79-L140 WeakPolarHBondContact CB-O 3.31Å; I80-L140 HydrophobicContact CG2-CB 3.7Å; I80-L140 HydrophobicContact CG2-CD1 4.13Å; I80-L140 HydrophobicContact CG2-CG 4.28Å; I80-L140 PolarHBondContact N-O 2.9Å; I80-L140 PolarHBondContact O-N 2.83Å; L140-Y154 CarbonylContact C-O 3.57Å; L140-Y154 WeakPolarHBondContact CA-O 3.41Å; L140-K155 HydrophobicContact CD2-CB 3.6Å; L140-K155 HydrophobicContact CD2-CD 4.14Å; L140-K155 HydrophobicContact CD2-CG 3.64Å; L140-V168 HydrophobicContact CD1-CG1 3.87Å; L140-V168 HydrophobicContact CD2-CG1 3.46Å; L140-V168 VanDerWaalsContact CD2-CG1 3.46Å; L140-V168 HydrophobicContact CD2-CG2 4.45Å; L140-V168 HydrophobicContact CG-CG1 4.28Å; L140-V170 HydrophobicContact CD1-CG2 4.12Å; L140-V170 HydrophobicContact CD2-CG2 3.78Å; L140-V170 HydrophobicContact CG-CG2 4.08Å
141A98.9Very high96.4Very high0 Ų050.4 Ų50.40%024%0.244CC..EExtended strand (participates in β ladder)trans-113142.1-179.600000111.2T77 G78 C79 L116 L153 Y154T77-A141 HydrophobicContact CG2-CB 4.48Å; G78-A141 CarbonylContact O-C 3.59Å; G78-A141 VanDerWaalsContact O-CA 3.32Å; G78-A141 WeakPolarHBondContact O-CA 3.14Å; C79-A141 HydrophobicContact CB-CB 4.14Å; L116-A141 HydrophobicContact CD1-CB 4.23Å; L116-A141 HydrophobicContact CD2-CB 3.46Å; L116-A141 VanDerWaalsContact CD2-CB 3.46Å; L116-A141 HydrophobicContact CG-CB 3.9Å; A141-L153 CarbonylContact O-C 3.54Å; A141-L153 WeakPolarHBondContact O-CA 3.26Å; A141-Y154 PolarHBondContact N-O 2.91Å; A141-Y154 PolarHBondContact O-N 3Å
142I98.8Very high96.6Very high0 Ų042.7 Ų42.70%021%0.208CC..EExtended strand (participates in β ladder)trans-126.3142.7176.756.2167.7000110.4A49 V51 T77 G78 Q152 L153 V222 F229A49-I142 HydrophobicContact CB-CB 3.85Å; A49-I142 HydrophobicContact CB-CG2 3.64Å; A49-I142 WeakPolarHBondContact O-CD1 3.28Å; V51-I142 HydrophobicContact CG1-CD1 4.38Å; V51-I142 HydrophobicContact CG1-CG1 4.37Å; V51-I142 HydrophobicContact CG1-CG2 3.64Å; V51-I142 HydrophobicContact CG2-CD1 3.86Å; V51-I142 HydrophobicContact CG2-CG1 4.28Å; T77-I142 WeakPolarHBondContact CA-O 3.27Å; G78-I142 PolarHBondContact N-O 3.37Å; G78-I142 VanDerWaalsContact N-O 3.13Å; G78-I142 PolarHBondContact O-N 2.91Å; I142-Q152 VanDerWaalsContact CA-O 3.29Å; I142-Q152 WeakPolarHBondContact CA-O 3.47Å; I142-L153 HydrophobicContact CG2-CB 4.34Å; I142-L153 HydrophobicContact CG2-CD1 3.69Å; I142-V222 HydrophobicContact CB-CG2 4Å; I142-V222 HydrophobicContact CD1-CG1 4.38Å; I142-V222 HydrophobicContact CD1-CG2 4.14Å; I142-V222 HydrophobicContact CG1-CG1 4.45Å; I142-V222 HydrophobicContact CG1-CG2 4.28Å; I142-F229 HydrophobicContact CD1-CD2 4.14Å; I142-F229 HydrophobicContact CD1-CE2 4.02Å; I142-F229 HydrophobicContact CG1-CD2 4.07Å; I142-F229 HydrophobicContact CG1-CE2 4.03Å
143S98.5Very high96.9Very high4 Ų437.9 Ų37.93%0.02818%0.184CC..EExtended strand (participates in β ladder)trans-151.1163171.868.20000109.9T77 C112 P151 Q152 V222T77-S143 WeakPolarHBondContact OG1-CB 3.5Å; C112-S143 WeakPolarHBondContact CB-OG 3.3Å; S143-P151 CarbonylContact O-C 3.57Å; S143-P151 WeakPolarHBondContact O-CA 3.26Å; S143-Q152 PolarHBondContact N-O 3.28Å; S143-Q152 PolarHBondContact O-N 3.46Å; S143-V222 VanDerWaalsContact C-CG2 3.47Å
144Y98.2Very high97Very high18 Ų1833.9 Ų33.97%0.07117%0.169CC..EExtended strand (participates in β ladder)trans-100.5117.8158.6-168.3-94000108.1E146 G149 P151 K224 P227Y144-E146 HydrophobicContact CD1-CG 4.39Å; Y144-G149 PolarHBondContact OH-O 3.49Å; Y144-P151 HydrophobicContact CD2-CB 4.24Å; Y144-K224 HydrophobicContact CD2-CB 4.17Å; Y144-K224 HydrophobicContact CE1-CB 4.17Å; Y144-K224 HydrophobicContact CE1-CG 4.07Å; Y144-K224 HydrophobicContact CE2-CB 3.49Å; Y144-K224 VanDerWaalsContact CE2-CB 3.49Å; Y144-K224 HydrophobicContact CE2-CG 4.11Å; Y144-K224 VanDerWaalsContact CZ-CB 3.49Å; Y144-K224 VanDerWaalsContact OH-CD 3.28Å; Y144-K224 WeakPolarHBondContact OH-CD 3.32Å; Y144-K224 VanDerWaalsContact OH-CG 3.26Å; Y144-K224 WeakPolarHBondContact OH-CG 3.42Å; Y144-P227 HydrophobicContact CD1-CB 4.29Å; Y144-P227 HydrophobicContact CG-CB 4.5Å
145D96.1Very high97.1Very high20 Ų2035.7 Ų35.711%0.10718%0.177CC..EExtended strand (participates in β ladder)trans-88109.7178.4-170.7-54.5000109E147 L148 G149 K150 Q152D145-E147 PolarHBondContact OD1-N 3.36Å; D145-E147 VanDerWaalsContact OD1-N 3.08Å; D145-L148 HydrophobicContact CB-CB 4.1Å; D145-L148 HydrophobicContact CB-CD1 4.33Å; D145-L148 HydrophobicContact CB-CG 4.43Å; D145-L148 WeakPolarHBondContact OD1-CB 3.29Å; D145-L148 WeakPolarHBondContact OD1-CG 3.36Å; D145-L148 PolarHBondContact OD1-N 2.96Å; D145-G149 WeakPolarHBondContact O-CA 3.49Å; D145-G149 PolarHBondContact O-N 2.77Å; D145-K150 WeakPolarHBondContact CB-O 3.37Å; D145-K150 PolarHBondContact N-O 3.32Å; D145-K150 PolarHBondContact O-N 3.05Å; D145-Q152 HydrophobicContact CB-CG 3.83Å
146E90.9Very high97.1Very high148 Ų14834.5 Ų34.569%0.69217%0.171SC*.THydrogen-bonded Turntrans-69.1-33.8-176.3-65.5-175.8172.600112.6Y144 G149Y144-E146 HydrophobicContact CD1-CG 4.39Å; E146-G149 PolarHBondContact O-N 2.67Å
147E90.7Very high97.1Very high169 Ų16934.9 Ų34.979%0.7917%0.172SC*.THydrogen-bonded Turntrans-71.7-42179.3-67.6-172.5-175.200111.2D145 G149D145-E147 PolarHBondContact OD1-N 3.36Å; D145-E147 VanDerWaalsContact OD1-N 3.08Å; E147-G149 VanDerWaalsContact C-N 3.27Å
148L93.5Very high97Very high104 Ų10434.9 Ų34.955%0.54517%0.173SC..THydrogen-bonded Turntrans-77.8-15.4175.3-63178.8000112.7D145 K150 Q152D145-L148 HydrophobicContact CB-CB 4.1Å; D145-L148 HydrophobicContact CB-CD1 4.33Å; D145-L148 HydrophobicContact CB-CG 4.43Å; D145-L148 WeakPolarHBondContact OD1-CB 3.29Å; D145-L148 WeakPolarHBondContact OD1-CG 3.36Å; D145-L148 PolarHBondContact OD1-N 2.96Å; L148-K150 HydrophobicContact CB-CB 4.37Å; L148-K150 WeakPolarHBondContact O-CG 3.37Å; L148-K150 PolarHBondContact O-N 2.97Å; L148-Q152 VanDerWaalsContact CD1-NE2 3.32Å
149G95.3Very high97Very high35 Ų3536.9 Ų36.936%0.36119%0.186SC..THydrogen-bonded Turntrans59.133.9-173.500000112.6Y144 D145 E146 E147Y144-G149 PolarHBondContact OH-O 3.49Å; D145-G149 WeakPolarHBondContact O-CA 3.49Å; D145-G149 PolarHBondContact O-N 2.77Å; E146-G149 PolarHBondContact O-N 2.67Å; E147-G149 VanDerWaalsContact C-N 3.27Å
150K96.2Very high96.9Very high128 Ų12837.7 Ų37.756%0.55720%0.195SC*.EExtended strand (participates in β ladder)trans-141.9143.8-170.4-74.1177.5-173178.20112.5D145 L148D145-K150 WeakPolarHBondContact CB-O 3.37Å; D145-K150 PolarHBondContact N-O 3.32Å; D145-K150 PolarHBondContact O-N 3.05Å; L148-K150 HydrophobicContact CB-CB 4.37Å; L148-K150 WeakPolarHBondContact O-CG 3.37Å; L148-K150 PolarHBondContact O-N 2.97Å
151P98.1Very high96.9Very high3 Ų343 Ų432%0.01922%0.218CC..EExtended strand (participates in β ladder)trans-65.4150.6166.831-35.2000110.6R44 G45 N46 C48 A49 S143 Y144R44-P151 VanDerWaalsContact CD-O 3.23Å; R44-P151 WeakPolarHBondContact CD-O 3.32Å; R44-P151 HydrophobicContact CG-CB 4.01Å; R44-P151 HydrophobicContact CG-CG 3.72Å; G45-P151 WeakPolarHBondContact O-CG 3.49Å; N46-P151 WeakPolarHBondContact O-CD 3.3Å; N46-P151 WeakPolarHBondContact O-CG 3.4Å; C48-P151 WeakPolarHBondContact O-CB 3.26Å; C48-P151 WeakPolarHBondContact O-CG 3.3Å; A49-P151 HydrophobicContact CB-CB 4.08Å; S143-P151 CarbonylContact O-C 3.57Å; S143-P151 WeakPolarHBondContact O-CA 3.26Å; Y144-P151 HydrophobicContact CD2-CB 4.24Å
152Q98.3Very high96.9Very high14 Ų1443.7 Ų43.77%0.06522%0.222CC..EExtended strand (participates in β ladder)trans-123.5143.2176.6-57.5-61.2-19.100110A49 I142 S143 D145 L148 Y154A49-Q152 WeakPolarHBondContact CB-O 3.46Å; I142-Q152 VanDerWaalsContact CA-O 3.29Å; I142-Q152 WeakPolarHBondContact CA-O 3.47Å; S143-Q152 PolarHBondContact N-O 3.28Å; S143-Q152 PolarHBondContact O-N 3.46Å; D145-Q152 HydrophobicContact CB-CG 3.83Å; L148-Q152 VanDerWaalsContact CD1-NE2 3.32Å; Q152-Y154 HydrophobicContact CB-CD2 4.18Å; Q152-Y154 HydrophobicContact CB-CE2 4.25Å
153L98.7Very high96.9Very high0 Ų044.7 Ų44.70%023%0.231CC..EExtended strand (participates in β ladder)trans-138.2110.5171.316861.9000107G42 R44 V51 A141 I142 G164 H165 V168G42-L153 VanDerWaalsContact C-CD2 3.43Å; R44-L153 HydrophobicContact CB-CB 4.16Å; R44-L153 HydrophobicContact CB-CD2 4.41Å; V51-L153 HydrophobicContact CG1-CD1 4.39Å; A141-L153 CarbonylContact O-C 3.54Å; A141-L153 WeakPolarHBondContact O-CA 3.26Å; I142-L153 HydrophobicContact CG2-CB 4.34Å; I142-L153 HydrophobicContact CG2-CD1 3.69Å; L153-G164 CarbonylContact O-C 3.54Å; L153-G164 WeakPolarHBondContact O-CA 3.39Å; L153-H165 HydrophobicContact CD2-CB 4.33Å; L153-H165 HydrophobicContact CG-CB 4.33Å; L153-H165 PolarHBondContact O-N 3.18Å; L153-V168 HydrophobicContact CD1-CG1 4.34Å; L153-V168 HydrophobicContact CD2-CG1 4.16Å; L153-V168 HydrophobicContact CG-CG1 4.36Å
154Y98.7Very high96.9Very high38 Ų3846.3 Ų46.315%0.14925%0.248CC..EExtended strand (participates in β ladder)trans-116.9141.7-179.1-87.2-105.2000110.9D113 L140 A141 Q152 V162 A163D113-Y154 HydrophobicContact CB-CD1 4.47Å; D113-Y154 HydrophobicContact CB-CE1 3.75Å; D113-Y154 HydrophobicContact CB-CE2 3.84Å; D113-Y154 WeakPolarHBondContact CB-OH 3.49Å; L140-Y154 CarbonylContact C-O 3.57Å; L140-Y154 WeakPolarHBondContact CA-O 3.41Å; A141-Y154 PolarHBondContact N-O 2.91Å; A141-Y154 PolarHBondContact O-N 3Å; Q152-Y154 HydrophobicContact CB-CD2 4.18Å; Q152-Y154 HydrophobicContact CB-CE2 4.25Å; Y154-V162 HydrophobicContact CD1-CG1 3.91Å; Y154-A163 WeakPolarHBondContact CA-O 3.34Å
155K98.7Very high96.9Very high39 Ų3947.6 Ų47.617%0.1726%0.255CS..EExtended strand (participates in β ladder)trans-108.2134.4168.1-177.5-179.577.1175.60109.8M139 L140 V162 A163 V168 V170M139-K155 CarbonylContact O-C 3.58Å; M139-K155 VanDerWaalsContact O-CA 3.32Å; M139-K155 WeakPolarHBondContact O-CA 3.4Å; L140-K155 HydrophobicContact CD2-CB 3.6Å; L140-K155 HydrophobicContact CD2-CD 4.14Å; L140-K155 HydrophobicContact CD2-CG 3.64Å; K155-V162 VanDerWaalsContact O-CA 3.29Å; K155-V162 WeakPolarHBondContact O-CA 3.45Å; K155-A163 PolarHBondContact N-O 3.03Å; K155-A163 PolarHBondContact O-N 3.38Å; K155-A163 VanDerWaalsContact O-N 3.11Å; K155-V168 HydrophobicContact CD-CG2 4.08Å; K155-V170 HydrophobicContact CD-CG2 3.79Å; K155-V170 HydrophobicContact CG-CG2 4.48Å
156S98.5Very high96.9Very high0 Ų052.5 Ų52.50%027%0.272CS..EExtended strand (participates in β ladder)trans-114.2137.1159.5179.10000109.7N123 A138 M139 F161N123-S156 PolarHBondContact ND2-OG 3.17Å; A138-S156 WeakPolarHBondContact CA-O 3.38Å; M139-S156 PolarHBondContact N-O 2.9Å; M139-S156 PolarHBondContact O-N 3.41Å; S156-F161 WeakPolarHBondContact CA-O 3.43Å
157D97.1Very high97.3Very high9 Ų946.2 Ų46.25%0.04825%0.245CC..  trans-121.4171.217876.435.5000112.7F30 N123 S159 G160 F161F30-D157 HydrophobicContact CE1-CB 3.9Å; F30-D157 HydrophobicContact CZ-CB 4.02Å; N123-D157 PolarHBondContact ND2-O 3.37Å; N123-D157 VanDerWaalsContact ND2-O 3.14Å; D157-S159 PolarHBondContact O-N 3.49Å; D157-S159 VanDerWaalsContact O-N 3.14Å; D157-S159 VanDerWaalsContact OD1-CB 3.32Å; D157-S159 WeakPolarHBondContact OD1-CB 3.4Å; D157-S159 PolarHBondContact OD1-N 2.9Å; D157-S159 PolarHBondContact OD1-OG 2.66Å; D157-G160 PolarHBondContact O-N 2.9Å; D157-G160 VanDerWaalsContact O-N 3.1Å; D157-F161 PolarHBondContact N-O 2.87Å; D157-F161 VanDerWaalsContact N-O 3.12Å; D157-F161 PolarHBondContact OD1-N 2.82Å
158P96.9Very high97.7Very high1 Ų138.3 Ų38.31%0.00621%0.209CC..THydrogen-bonded Turntrans-63.3-18.2-175.6-23.532.5000115.4T29 I33 T127 P134 L135 C137 G160T29-P158 HydrophobicContact CG2-CB 3.55Å; T29-P158 HydrophobicContact CG2-CG 3.69Å; I33-P158 HydrophobicContact CD1-CG 3.55Å; I33-P158 HydrophobicContact CG1-CG 4.43Å; T127-P158 WeakPolarHBondContact CG2-O 3.43Å; P134-P158 HydrophobicContact CB-CB 4.35Å; L135-P158 WeakPolarHBondContact O-CB 3.45Å; L135-P158 WeakPolarHBondContact O-CG 3.47Å; C137-P158 WeakPolarHBondContact O-CG 3.5Å; P158-G160 PolarHBondContact O-N 2.86Å
159S97.3Very high97.9Very high43 Ų4333.5 Ų33.530%0.30118%0.184SC..THydrogen-bonded Turntrans-76.9-9.617874.20000112.8D157 F161D157-S159 PolarHBondContact O-N 3.49Å; D157-S159 VanDerWaalsContact O-N 3.14Å; D157-S159 VanDerWaalsContact OD1-CB 3.32Å; D157-S159 WeakPolarHBondContact OD1-CB 3.4Å; D157-S159 PolarHBondContact OD1-N 2.9Å; D157-S159 PolarHBondContact OD1-OG 2.66Å; S159-F161 VanDerWaalsContact C-N 3.31Å; S159-F161 WeakPolarHBondContact OG-CB 3.34Å; S159-F161 PolarHBondContact OG-N 2.87Å
160G97.6Very high98Very high18 Ų1832 Ų3219%0.18617%0.168CC..SBendtrans86.81.1-169.700000113.4G120 D157 P158G120-G160 WeakPolarHBondContact CA-O 3.44Å; G120-G160 WeakPolarHBondContact O-CA 3.46Å; D157-G160 PolarHBondContact O-N 2.9Å; D157-G160 VanDerWaalsContact O-N 3.1Å; P158-G160 PolarHBondContact O-N 2.86Å
161F98.4Very high98Very high111 Ų11125.9 Ų25.949%0.48714%0.141SC..  trans-69.4133.4174.5-176.5-103.6000110.8S156 D157 S159 A163S156-F161 WeakPolarHBondContact CA-O 3.43Å; D157-F161 PolarHBondContact N-O 2.87Å; D157-F161 VanDerWaalsContact N-O 3.12Å; D157-F161 PolarHBondContact OD1-N 2.82Å; S159-F161 VanDerWaalsContact C-N 3.31Å; S159-F161 WeakPolarHBondContact OG-CB 3.34Å; S159-F161 PolarHBondContact OG-N 2.87Å; F161-A163 HydrophobicContact CE1-CB 3.61Å; F161-A163 HydrophobicContact CZ-CB 3.75Å
162V98.6Very high97.9Very high15 Ų1528.2 Ų28.29%0.09115%0.153CC..EExtended strand (participates in β ladder)trans-133.5129.7-179.5177.10000108.9L116 Y154 K155L116-V162 HydrophobicContact CB-CG1 3.93Å; L116-V162 VanDerWaalsContact O-CG2 3.26Å; L116-V162 WeakPolarHBondContact O-CG2 3.44Å; Y154-V162 HydrophobicContact CD1-CG1 3.91Å; K155-V162 VanDerWaalsContact O-CA 3.29Å; K155-V162 WeakPolarHBondContact O-CA 3.45Å
163A98.3Very high97.8Very high21 Ų2131.6 Ų31.617%0.17417%0.168CC..EExtended strand (participates in β ladder)trans-151.3147.7177.900000112.5Y154 K155 F161Y154-A163 WeakPolarHBondContact CA-O 3.34Å; K155-A163 PolarHBondContact N-O 3.03Å; K155-A163 PolarHBondContact O-N 3.38Å; K155-A163 VanDerWaalsContact O-N 3.11Å; F161-A163 HydrophobicContact CE1-CB 3.61Å; F161-A163 HydrophobicContact CZ-CB 3.75Å
164G98.2Very high97.7Very high39 Ų3935.1 Ų35.140%0.40218%0.184SC..EExtended strand (participates in β ladder)trans-78.9145168.600000111.8L153L153-G164 CarbonylContact O-C 3.54Å; L153-G164 WeakPolarHBondContact O-CA 3.39Å
165H98.3Very high97.6Very high44 Ų4438.7 Ų38.720%0.20421%0.21CC..  trans-135.5150.8-173.6-66.9-29.2000112.6L153 V168L153-H165 HydrophobicContact CD2-CB 4.33Å; L153-H165 HydrophobicContact CG-CB 4.33Å; L153-H165 PolarHBondContact O-N 3.18Å; H165-V168 HydrophobicContact CB-CB 4.12Å; H165-V168 HydrophobicContact CB-CG1 4.32Å
166R97.5Very high97.6Very high123 Ų12339.7 Ų39.746%0.46422%0.216SC..SBendtrans-81.8-40.5167.1-69.1-167.8-68174.8-0.1111.3R44 F185 E189R44-R166 WeakPolarHBondContact CB-O 3.26Å; R44-R166 PolarHBondContact N-O 3.21Å; R166-F185 HydrophobicContact CB-CD1 4.4Å; R166-F185 HydrophobicContact CB-CE1 3.9Å; R166-F185 HydrophobicContact CB-CZ 4.35Å; R166-E189 IonicContact NH1-OE1 3.78Å; R166-E189 PolarHBondContact NH1-OE1 3.44Å
167A98.5Very high97.5Very high16 Ų1639.7 Ų39.713%0.13222%0.216CC..EExtended strand (participates in β ladder)trans-152155.1165.900000108.8G42 V43 L181 F185G42-A167 CarbonylContact O-C 3.54Å; G42-A167 WeakPolarHBondContact O-CA 3.48Å; G42-A167 WeakPolarHBondContact O-CB 3.32Å; V43-A167 HydrophobicContact CG2-CB 4.41Å; A167-L181 HydrophobicContact CB-CB 4.33Å; A167-L181 HydrophobicContact CB-CD1 4.13Å; A167-L181 HydrophobicContact CB-CD2 4.17Å; A167-L181 HydrophobicContact CB-CG 4.44Å; A167-F185 HydrophobicContact CB-CD2 4.07Å; A167-F185 HydrophobicContact CB-CE2 3.4Å; A167-F185 HydrophobicContact CB-CZ 3.88Å
168V98.6Very high97.6Very high4 Ų441.9 Ų41.92%0.02423%0.226CC..EExtended strand (participates in β ladder)trans-156.7144.918065.50000110.5V41 G42 L140 L153 K155 H165 V170 M178V41-V168 CarbonylContact C-O 3.59Å; V41-V168 WeakPolarHBondContact CA-O 3.34Å; G42-V168 PolarHBondContact N-O 2.83Å; G42-V168 PolarHBondContact O-N 3.3Å; L140-V168 HydrophobicContact CD1-CG1 3.87Å; L140-V168 HydrophobicContact CD2-CG1 3.46Å; L140-V168 VanDerWaalsContact CD2-CG1 3.46Å; L140-V168 HydrophobicContact CD2-CG2 4.45Å; L140-V168 HydrophobicContact CG-CG1 4.28Å; L153-V168 HydrophobicContact CD1-CG1 4.34Å; L153-V168 HydrophobicContact CD2-CG1 4.16Å; L153-V168 HydrophobicContact CG-CG1 4.36Å; K155-V168 HydrophobicContact CD-CG2 4.08Å; H165-V168 HydrophobicContact CB-CB 4.12Å; H165-V168 HydrophobicContact CB-CG1 4.32Å; V168-V170 HydrophobicContact CG2-CG2 4.32Å; V168-M178 HydrophobicContact CG2-SD 4.3Å
169A98.4Very high97.7Very high2 Ų248.7 Ų48.72%0.01725%0.252CS..EExtended strand (participates in β ladder)trans-120.5143.7170.900000110L39 S40 V41 A177 M178 L181L39-A169 HydrophobicContact CD1-CB 4.11Å; S40-A169 CarbonylContact O-C 3.45Å; S40-A169 VanDerWaalsContact O-CA 3.29Å; S40-A169 WeakPolarHBondContact O-CA 3.44Å; V41-A169 HydrophobicContact CG2-CB 4.3Å; A169-A177 HydrophobicContact CB-CB 3.45Å; A169-A177 VanDerWaalsContact CB-CB 3.45Å; A169-M178 HydrophobicContact CB-CG 4.25Å; A169-M178 HydrophobicContact CB-SD 4.06Å; A169-M178 PolarHBondContact N-SD 2.87Å; A169-L181 HydrophobicContact CB-CD1 4.17Å
170V97.9Very high97.7Very high4 Ų447.9 Ų47.92%0.02424%0.243CC..EExtended strand (participates in β ladder)trans-139.7137.5-179.9-177.90000109.4I33 L39 S40 T82 A138 L140 K155 V168I33-V170 HydrophobicContact CG2-CG1 3.93Å; L39-V170 WeakPolarHBondContact CD1-O 3.14Å; S40-V170 PolarHBondContact N-O 3.05Å; S40-V170 PolarHBondContact O-N 3.01Å; T82-V170 HydrophobicContact CG2-CG1 4.23Å; A138-V170 HydrophobicContact CB-CG1 3.7Å; L140-V170 HydrophobicContact CD1-CG2 4.12Å; L140-V170 HydrophobicContact CD2-CG2 3.78Å; L140-V170 HydrophobicContact CG-CG2 4.08Å; K155-V170 HydrophobicContact CD-CG2 3.79Å; K155-V170 HydrophobicContact CG-CG2 4.48Å; V168-V170 HydrophobicContact CG2-CG2 4.32Å
171G96.6Very high97.8Very high0 Ų047.1 Ų47.10%024%0.235CC..EExtended strand (participates in β ladder)trans118.2-144.7174.200000113.6S34 H38S34-G171 PolarHBondContact OG-O 3.28Å; H38-G171 CarbonylContact O-C 3.6Å; H38-G171 WeakPolarHBondContact O-CA 3.37Å
172D94.7Very high97.7Very high52 Ų5246.7 Ų46.728%0.27823%0.234SC..THydrogen-bonded Turntrans-65141.2176.3-172.530.3000111H38 L39 Q174H38-D172 PolarHBondContact O-N 3.13Å; L39-D172 WeakPolarHBondContact CD1-O 3.45Å; D172-Q174 PolarHBondContact O-N 3.46Å; D172-Q174 VanDerWaalsContact O-N 3.08Å
173K95.6Very high97.7Very high84 Ų8449.1 Ų49.137%0.36525%0.247SC..THydrogen-bonded Turntrans52.525.1-177-56.4-178.3174.5-169.80115.8T175 E176 A177 T207K173-T175 PolarHBondContact O-N 3.41Å; K173-E176 PolarHBondContact O-N 3.5Å; K173-A177 PolarHBondContact O-N 3.45Å; K173-T207 HydrophobicContact CB-CG2 3.46Å; K173-T207 VanDerWaalsContact CB-CG2 3.46Å; K173-T207 HydrophobicContact CD-CG2 3.77Å; K173-T207 VanDerWaalsContact CD-O 3.29Å; K173-T207 WeakPolarHBondContact CD-O 3.5Å; K173-T207 HydrophobicContact CG-CG2 4.31Å; K173-T207 PolarHBondContact NZ-O 2.55Å
174Q96.6Very high97.7Very high74 Ų7450.3 Ų50.335%0.34625%0.249SC..Hα-helixtrans-53-36.6-176.476.3177.6-9.400113.6D172 E176 A177 M178D172-Q174 PolarHBondContact O-N 3.46Å; D172-Q174 VanDerWaalsContact O-N 3.08Å; Q174-E176 VanDerWaalsContact C-N 3.32Å; Q174-E176 PolarHBondContact O-N 3.22Å; Q174-A177 PolarHBondContact O-N 3.43Å; Q174-M178 WeakPolarHBondContact O-CB 3.36Å; Q174-M178 VanDerWaalsContact O-CG 3.27Å; Q174-M178 WeakPolarHBondContact O-CG 3.48Å; Q174-M178 PolarHBondContact O-N 2.81Å
175T97.2Very high97.6Very high114 Ų11449.2 Ų49.270%0.69923%0.233SC*.Hα-helixtrans-64.6-38.6-177.4-51.80000111.7K173 R179K173-T175 PolarHBondContact O-N 3.41Å; T175-R179 PolarHBondContact O-N 3.44Å
176E97.9Very high97.5Very high60 Ų6056.2 Ų56.228%0.2826%0.258SS..Hα-helixtrans-70.7-45177.4-176179.3173.500111K173 Q174 M178 R179 H180 T207K173-E176 PolarHBondContact O-N 3.5Å; Q174-E176 VanDerWaalsContact C-N 3.32Å; Q174-E176 PolarHBondContact O-N 3.22Å; E176-M178 PolarHBondContact O-N 3.33Å; E176-R179 PolarHBondContact O-N 3.22Å; E176-H180 PolarHBondContact O-N 3.12Å; E176-T207 HydrophobicContact CB-CG2 4.28Å; E176-T207 HydrophobicContact CG-CG2 4.39Å
177A98.3Very high97.5Very high0 Ų057.6 Ų57.60%027%0.267CS..Hα-helixtrans-60.1-44.6176.600000111.9L39 A169 K173 Q174 R179 H180 L181 T207L39-A177 HydrophobicContact CD1-CB 4.29Å; L39-A177 HydrophobicContact CD2-CB 3.94Å; A169-A177 HydrophobicContact CB-CB 3.45Å; A169-A177 VanDerWaalsContact CB-CB 3.45Å; K173-A177 PolarHBondContact O-N 3.45Å; Q174-A177 PolarHBondContact O-N 3.43Å; A177-R179 PolarHBondContact O-N 3.41Å; A177-H180 WeakPolarHBondContact O-CB 3.41Å; A177-H180 PolarHBondContact O-N 3.31Å; A177-L181 WeakPolarHBondContact O-CG 3.24Å; A177-L181 PolarHBondContact O-N 3.33Å; A177-T207 WeakPolarHBondContact CA-OG1 3.44Å; A177-T207 HydrophobicContact CB-CG2 4.23Å
178M98.4Very high97.3Very high54 Ų5460.3 Ų60.327%0.26628%0.277SS..Hα-helixtrans-59.5-44.6175.6-75.6-57.2-57.500111.9V168 A169 Q174 E176 H180 L181 E182V168-M178 HydrophobicContact CG2-SD 4.3Å; A169-M178 HydrophobicContact CB-CG 4.25Å; A169-M178 HydrophobicContact CB-SD 4.06Å; A169-M178 PolarHBondContact N-SD 2.87Å; Q174-M178 WeakPolarHBondContact O-CB 3.36Å; Q174-M178 VanDerWaalsContact O-CG 3.27Å; Q174-M178 WeakPolarHBondContact O-CG 3.48Å; Q174-M178 PolarHBondContact O-N 2.81Å; E176-M178 PolarHBondContact O-N 3.33Å; M178-H180 VanDerWaalsContact C-N 3.31Å; M178-H180 PolarHBondContact O-N 3.35Å; M178-L181 PolarHBondContact O-N 3.17Å; M178-L181 HydrophobicContact SD-CD1 4.4Å; M178-E182 WeakPolarHBondContact O-CB 3.45Å; M178-E182 WeakPolarHBondContact O-CG 3.28Å; M178-E182 PolarHBondContact O-N 3.3Å
179R98.4Very high96.9Very high145 Ų14565.9 Ų65.955%0.54730%0.303SS..Hα-helixtrans-62.1-39.2176.8-174.5-177.766.8-161.6-1.6112T175 E176 A177 N183T175-R179 PolarHBondContact O-N 3.44Å; E176-R179 PolarHBondContact O-N 3.22Å; A177-R179 PolarHBondContact O-N 3.41Å; R179-N183 PolarHBondContact O-N 3.41Å; R179-N183 PolarHBondContact O-ND2 3.1Å
180H98.1Very high96.7Very high25 Ų2570.6 Ų70.612%0.11633%0.327CS..Hα-helixtrans-63.2-50.3175.3-179.782.5000111E176 A177 M178 E182 N183 E184 H206E176-H180 PolarHBondContact O-N 3.12Å; A177-H180 WeakPolarHBondContact O-CB 3.41Å; A177-H180 PolarHBondContact O-N 3.31Å; M178-H180 VanDerWaalsContact C-N 3.31Å; M178-H180 PolarHBondContact O-N 3.35Å; H180-E182 VanDerWaalsContact C-N 3.33Å; H180-E182 PolarHBondContact O-N 2.93Å; H180-N183 PolarHBondContact O-N 3.28Å; H180-N183 VanDerWaalsContact O-N 3.1Å; H180-E184 PolarHBondContact O-N 3.18Å; H180-H206 AromaticContact CE1-CD2 3.75Å; H180-H206 AromaticContact CE1-CG 3.8Å; H180-H206 AromaticContact ND1-CD2 3.44Å; H180-H206 PolarHBondContact ND1-CD2 3.49Å; H180-H206 AromaticContact ND1-CE1 3.96Å; H180-H206 AromaticContact ND1-CG 3.43Å; H180-H206 AromaticContact ND1-ND1 3.76Å; H180-H206 AromaticContact ND1-NE2 3.76Å
181L98.4Very high96.7Very high3 Ų370.9 Ų70.92%0.01633%0.328CS..Hα-helixtrans-57.8-43.4177-68.1167.2000112.3V41 V43 A167 A169 A177 M178 N183 E184 F185 L199 C203V41-L181 HydrophobicContact CG1-CD1 4.11Å; V41-L181 HydrophobicContact CG1-CD2 4.2Å; V43-L181 HydrophobicContact CG2-CD2 4.24Å; A167-L181 HydrophobicContact CB-CB 4.33Å; A167-L181 HydrophobicContact CB-CD1 4.13Å; A167-L181 HydrophobicContact CB-CD2 4.17Å; A167-L181 HydrophobicContact CB-CG 4.44Å; A169-L181 HydrophobicContact CB-CD1 4.17Å; A177-L181 WeakPolarHBondContact O-CG 3.24Å; A177-L181 PolarHBondContact O-N 3.33Å; M178-L181 PolarHBondContact O-N 3.17Å; M178-L181 HydrophobicContact SD-CD1 4.4Å; L181-N183 VanDerWaalsContact C-N 3.28Å; L181-N183 PolarHBondContact O-N 2.88Å; L181-E184 PolarHBondContact O-N 3.37Å; L181-F185 WeakPolarHBondContact O-CB 3.39Å; L181-F185 WeakPolarHBondContact O-CD2 3.41Å; L181-F185 PolarHBondContact O-N 3Å; L181-L199 HydrophobicContact CD2-CD1 4.42Å; L181-L199 HydrophobicContact CD2-CD2 4.45Å; L181-L199 HydrophobicContact CD2-CG 4.26Å; L181-C203 HydrophobicContact CD2-CB 4.01Å; L181-C203 HydrophobicContact CG-CB 4.45Å
182E98Very high96.7Very high102 Ų10274.3 Ų74.348%0.47735%0.349SS..Hα-helixtrans-59.3-39176.4-76.7173.7-170.500112.5M178 H180 R186M178-E182 WeakPolarHBondContact O-CB 3.45Å; M178-E182 WeakPolarHBondContact O-CG 3.28Å; M178-E182 PolarHBondContact O-N 3.3Å; H180-E182 VanDerWaalsContact C-N 3.33Å; H180-E182 PolarHBondContact O-N 2.93Å; E182-R186 VanDerWaalsContact O-CG 3.32Å; E182-R186 WeakPolarHBondContact O-CG 3.43Å; E182-R186 PolarHBondContact O-N 2.86Å
183N97.8Very high96.9Very high66 Ų6673.9 Ų73.935%0.35335%0.347SS..Hα-helixtrans-70.5-39.5178-72.4-26.9000112.1R179 H180 L181 R186R179-N183 PolarHBondContact O-N 3.41Å; R179-N183 PolarHBondContact O-ND2 3.1Å; H180-N183 PolarHBondContact O-N 3.28Å; H180-N183 VanDerWaalsContact O-N 3.1Å; L181-N183 VanDerWaalsContact C-N 3.28Å; L181-N183 PolarHBondContact O-N 2.88Å; N183-R186 PolarHBondContact O-N 3.2Å
184E97.6Very high96.9Very high46 Ų4673.7 Ų73.722%0.21535%0.347CS..Hα-helixtrans-67-43.7176.4-64.8-50.4124.100111.4H180 L181 R186 K187 Q188 Y191 L199H180-E184 PolarHBondContact O-N 3.18Å; L181-E184 PolarHBondContact O-N 3.37Å; E184-R186 PolarHBondContact O-N 2.98Å; E184-R186 VanDerWaalsContact O-N 3.15Å; E184-K187 WeakPolarHBondContact O-CB 3.43Å; E184-K187 PolarHBondContact O-N 3.48Å; E184-K187 IonicContact OE1-NZ 2.84Å; E184-K187 PolarHBondContact OE1-NZ 2.84Å; E184-K187 IonicContact OE2-NZ 3.96Å; E184-K187 PolarHBondContact OE2-NZ 3.14Å; E184-Q188 PolarHBondContact O-N 3.35Å; E184-Q188 VanDerWaalsContact O-N 3.14Å; E184-Y191 PolarHBondContact O-OH 2.82Å; E184-L199 HydrophobicContact CB-CD1 3.6Å; E184-L199 HydrophobicContact CB-CD2 4.5Å; E184-L199 HydrophobicContact CG-CD1 3.59Å
185F96.7Very high97Very high16 Ų1673.1 Ų73.17%0.0734%0.344CS..Hα-helixtrans-66.6-15.5177-90.7-94.5000114.3V43 R166 A167 L181 Q188 Y191 L199V43-F185 HydrophobicContact CG1-CE2 4.31Å; V43-F185 HydrophobicContact CG1-CZ 4.16Å; R166-F185 HydrophobicContact CB-CD1 4.4Å; R166-F185 HydrophobicContact CB-CE1 3.9Å; R166-F185 HydrophobicContact CB-CZ 4.35Å; A167-F185 HydrophobicContact CB-CD2 4.07Å; A167-F185 HydrophobicContact CB-CE2 3.4Å; A167-F185 HydrophobicContact CB-CZ 3.88Å; L181-F185 WeakPolarHBondContact O-CB 3.39Å; L181-F185 WeakPolarHBondContact O-CD2 3.41Å; L181-F185 PolarHBondContact O-N 3Å; F185-Q188 WeakPolarHBondContact CA-O 3.22Å; F185-Y191 HydrophobicContact CD1-CE2 4.2Å; F185-Y191 HydrophobicContact CD2-CE2 4.31Å; F185-Y191 HydrophobicContact CE1-CD2 4.18Å; F185-Y191 AromaticContact CE1-CE2 3.93Å; F185-Y191 HydrophobicContact CE1-CE2 3.93Å; F185-Y191 HydrophobicContact CE2-CE2 4.04Å; F185-Y191 HydrophobicContact CG-CE2 4.39Å; F185-Y191 HydrophobicContact CZ-CD2 4.06Å; F185-Y191 AromaticContact CZ-CE2 3.86Å; F185-Y191 HydrophobicContact CZ-CE2 3.86Å; F185-L199 HydrophobicContact CD2-CD2 4.19Å; F185-L199 HydrophobicContact CE2-CD2 3.66Å; F185-L199 HydrophobicContact CZ-CD2 4.49Å
186R96.7Very high97Very high191 Ų19167.7 Ų67.772%0.72131%0.311SS*.Hα-helixtrans-76.9-26.8169.8-77.2171.4-177.1171.43.3112.7E182 N183 E184E182-R186 VanDerWaalsContact O-CG 3.32Å; E182-R186 WeakPolarHBondContact O-CG 3.43Å; E182-R186 PolarHBondContact O-N 2.86Å; N183-R186 PolarHBondContact O-N 3.2Å; E184-R186 PolarHBondContact O-N 2.98Å; E184-R186 VanDerWaalsContact O-N 3.15Å
187K96.2Very high97Very high152 Ų15264.9 Ų64.966%0.66130%0.298SS*.Hα-helixtrans-84.8-39.9-179.4-59.1169.5-171.8168.90111.1E184E184-K187 WeakPolarHBondContact O-CB 3.43Å; E184-K187 PolarHBondContact O-N 3.48Å; E184-K187 IonicContact OE1-NZ 2.84Å; E184-K187 PolarHBondContact OE1-NZ 2.84Å; E184-K187 IonicContact OE2-NZ 3.96Å; E184-K187 PolarHBondContact OE2-NZ 3.14Å
188Q94.4Very high97Very high72 Ų7265.9 Ų65.934%0.33630%0.303SS..  trans-143.4126.8-176.1175.9168.9-16.500109E184 F185 N190 Y191 E195E184-Q188 PolarHBondContact O-N 3.35Å; E184-Q188 VanDerWaalsContact O-N 3.14Å; F185-Q188 WeakPolarHBondContact CA-O 3.22Å; Q188-N190 WeakPolarHBondContact CG-O 3.44Å; Q188-N190 PolarHBondContact NE2-O 2.89Å; Q188-Y191 HydrophobicContact CB-CE1 4.42Å; Q188-Y191 HydrophobicContact CB-CE2 4.44Å; Q188-Y191 HydrophobicContact CG-CD1 4.49Å; Q188-Y191 HydrophobicContact CG-CE1 4.1Å; Q188-Y191 HydrophobicContact CG-CE2 4.21Å; Q188-Y191 WeakPolarHBondContact O-CE2 3.45Å; Q188-Y191 PolarHBondContact O-OH 3.21Å; Q188-E195 PolarHBondContact NE2-OE1 3.02Å; Q188-E195 VanDerWaalsContact NE2-OE1 3.07Å; Q188-E195 PolarHBondContact NE2-OE2 3.19Å
189E91.1Very high97Very high122 Ų12264.1 Ų64.157%0.5729%0.294SS*.SBendtrans-95.8-22.4177.7-64.8-157.8127.100113R166R166-E189 IonicContact NH1-OE1 3.78Å; R166-E189 PolarHBondContact NH1-OE1 3.44Å
190N93.9Very high97Very high100 Ų10057.2 Ų57.254%0.53527%0.268SS..  trans-113.3120.8-171.4-68.9-49000110N46 Q188N46-N190 VanDerWaalsContact ND2-CG 3.29Å; N46-N190 PolarHBondContact ND2-OD1 2.82Å; N46-N190 VanDerWaalsContact OD1-C 3.27Å; N46-N190 WeakPolarHBondContact OD1-CA 3.44Å; N46-N190 WeakPolarHBondContact OD1-CB 3.11Å; N46-N190 PolarHBondContact OD1-OD1 2.69Å; Q188-N190 WeakPolarHBondContact CG-O 3.44Å; Q188-N190 PolarHBondContact NE2-O 2.89Å
191Y97.5Very high97Very high11 Ų1156 Ų564%0.04326%0.263CS..  trans-121.3131-178.3-67.4-91.2000110.1G45 N46 E184 F185 Q188 E195 L199G45-Y191 CarbonylContact C-O 3.51Å; G45-Y191 VanDerWaalsContact CA-O 3.25Å; G45-Y191 WeakPolarHBondContact CA-O 3.23Å; N46-Y191 PolarHBondContact N-O 3.2Å; N46-Y191 PolarHBondContact OD1-N 3.1Å; E184-Y191 PolarHBondContact O-OH 2.82Å; F185-Y191 HydrophobicContact CD1-CE2 4.2Å; F185-Y191 HydrophobicContact CD2-CE2 4.31Å; F185-Y191 HydrophobicContact CE1-CD2 4.18Å; F185-Y191 AromaticContact CE1-CE2 3.93Å; F185-Y191 HydrophobicContact CE1-CE2 3.93Å; F185-Y191 HydrophobicContact CE2-CE2 4.04Å; F185-Y191 HydrophobicContact CG-CE2 4.39Å; F185-Y191 HydrophobicContact CZ-CD2 4.06Å; F185-Y191 AromaticContact CZ-CE2 3.86Å; F185-Y191 HydrophobicContact CZ-CE2 3.86Å; Q188-Y191 HydrophobicContact CB-CE1 4.42Å; Q188-Y191 HydrophobicContact CB-CE2 4.44Å; Q188-Y191 HydrophobicContact CG-CD1 4.49Å; Q188-Y191 HydrophobicContact CG-CE1 4.1Å; Q188-Y191 HydrophobicContact CG-CE2 4.21Å; Q188-Y191 WeakPolarHBondContact O-CE2 3.45Å; Q188-Y191 PolarHBondContact O-OH 3.21Å; Y191-E195 HydrophobicContact CD1-CB 3.77Å; Y191-L199 HydrophobicContact CD1-CD2 4.3Å; Y191-L199 HydrophobicContact CE1-CB 4.39Å; Y191-L199 HydrophobicContact CE1-CD2 3.77Å; Y191-L199 HydrophobicContact CE2-CD2 4.01Å
192T97.5Very high96.9Very high71 Ų7156.8 Ų56.844%0.43627%0.271SS..  trans-66.8170.8161.7590000110.5E194 E195 A196T192-E194 VanDerWaalsContact C-N 3.3Å; T192-E194 PolarHBondContact O-N 3.43Å; T192-E195 WeakPolarHBondContact CB-OE2 3.22Å; T192-E195 WeakPolarHBondContact CG2-OE2 3.45Å; T192-E195 PolarHBondContact N-OE2 3.44Å; T192-E195 PolarHBondContact O-N 3.2Å; T192-E195 WeakPolarHBondContact OG1-CG 3.29Å; T192-E195 PolarHBondContact OG1-N 2.79Å; T192-E195 PolarHBondContact OG1-OE2 3.27Å; T192-A196 VanDerWaalsContact O-CB 3.25Å; T192-A196 WeakPolarHBondContact O-CB 3.47Å; T192-A196 PolarHBondContact O-N 3.35Å
193L97.6Very high97Very high43 Ų4352 Ų5223%0.22525%0.249CC..Hα-helixtrans-59.6-45.4177.7175.661.8000111.3C48 V50 A196 V197 V221C48-L193 HydrophobicContact CB-CB 4.2Å; C48-L193 HydrophobicContact CB-CD1 3.77Å; C48-L193 WeakPolarHBondContact SG-CA 3.37Å; V50-L193 HydrophobicContact CG2-CD1 4.08Å; L193-A196 PolarHBondContact O-N 3.33Å; L193-V197 HydrophobicContact CD1-CG2 4.33Å; L193-V197 WeakPolarHBondContact O-CG2 3.36Å; L193-V197 PolarHBondContact O-N 3.05Å; L193-V221 HydrophobicContact CD1-CB 4Å; L193-V221 HydrophobicContact CD1-CG1 4.01Å
194E97Very high96.9Very high81 Ų8148.8 Ų48.838%0.37923%0.232SC..Hα-helixtrans-61.8-49.9179.9-65.774.3-170.300110.9T192 A196 V197 E198T192-E194 VanDerWaalsContact C-N 3.3Å; T192-E194 PolarHBondContact O-N 3.43Å; E194-A196 VanDerWaalsContact C-N 3.31Å; E194-A196 PolarHBondContact O-N 2.65Å; E194-V197 PolarHBondContact O-N 3.24Å; E194-E198 WeakPolarHBondContact O-CB 3.21Å; E194-E198 VanDerWaalsContact O-CG 3.26Å; E194-E198 WeakPolarHBondContact O-CG 3.33Å; E194-E198 PolarHBondContact O-N 2.89Å
195E97.4Very high96.9Very high62 Ų6247.5 Ų47.529%0.2923%0.228SC..Hα-helixtrans-66.6-32.9179.3-61.1163.6130.500112.2Q188 Y191 T192 E198 L199Q188-E195 PolarHBondContact NE2-OE1 3.02Å; Q188-E195 VanDerWaalsContact NE2-OE1 3.07Å; Q188-E195 PolarHBondContact NE2-OE2 3.19Å; Y191-E195 HydrophobicContact CD1-CB 3.77Å; T192-E195 WeakPolarHBondContact CB-OE2 3.22Å; T192-E195 WeakPolarHBondContact CG2-OE2 3.45Å; T192-E195 PolarHBondContact N-OE2 3.44Å; T192-E195 PolarHBondContact O-N 3.2Å; T192-E195 WeakPolarHBondContact OG1-CG 3.29Å; T192-E195 PolarHBondContact OG1-N 2.79Å; T192-E195 PolarHBondContact OG1-OE2 3.27Å; E195-E198 PolarHBondContact O-N 3Å; E195-L199 VanDerWaalsContact O-CB 3.28Å; E195-L199 WeakPolarHBondContact O-CB 3.32Å; E195-L199 PolarHBondContact O-N 2.92Å
196A98.3Very high96.9Very high0 Ų051.1 Ų51.10%025%0.245CC..Hα-helixtrans-68.1-39.4176.300000112V43 V50 T192 L193 E194 A200V43-A196 HydrophobicContact CG1-CB 3.96Å; V50-A196 HydrophobicContact CG2-CB 3.84Å; T192-A196 VanDerWaalsContact O-CB 3.25Å; T192-A196 WeakPolarHBondContact O-CB 3.47Å; T192-A196 PolarHBondContact O-N 3.35Å; L193-A196 PolarHBondContact O-N 3.33Å; E194-A196 VanDerWaalsContact C-N 3.31Å; E194-A196 PolarHBondContact O-N 2.65Å; A196-A200 WeakPolarHBondContact O-CB 3.39Å; A196-A200 PolarHBondContact O-N 3.21Å
197V98.4Very high96.9Very high1 Ų142 Ų421%0.00621%0.21CC..Hα-helixtrans-64.3-47.8172.5172.70000110.2V50 L193 E194 L199 A200 I201 I219 V221 L232 H240V50-V197 HydrophobicContact CG1-CG2 4.01Å; V50-V197 HydrophobicContact CG2-CG2 3.86Å; L193-V197 HydrophobicContact CD1-CG2 4.33Å; L193-V197 WeakPolarHBondContact O-CG2 3.36Å; L193-V197 PolarHBondContact O-N 3.05Å; E194-V197 PolarHBondContact O-N 3.24Å; V197-L199 VanDerWaalsContact C-N 3.34Å; V197-L199 PolarHBondContact O-N 3.07Å; V197-A200 PolarHBondContact O-N 2.78Å; V197-I201 HydrophobicContact CG1-CD1 3.87Å; V197-I201 HydrophobicContact CG1-CG1 4.45Å; V197-I201 WeakPolarHBondContact O-CG1 3.49Å; V197-I201 PolarHBondContact O-N 3.42Å; V197-I219 HydrophobicContact CG1-CD1 4.04Å; V197-I219 HydrophobicContact CG1-CG2 4.47Å; V197-V221 HydrophobicContact CG2-CG1 4.06Å; V197-L232 HydrophobicContact CG1-CD1 4.34Å; V197-L232 HydrophobicContact CG2-CD1 4.36Å; V197-H240 HydrophobicContact CG1-CB 4.27Å
198E97.6Very high96.8Very high21 Ų2135.7 Ų35.710%0.09818%0.183CC..Hα-helixtrans-60.8-41178.2-69.6174.2-166.500111.9E194 E195 I201 G202 R243 M244 K247E194-E198 WeakPolarHBondContact O-CB 3.21Å; E194-E198 VanDerWaalsContact O-CG 3.26Å; E194-E198 WeakPolarHBondContact O-CG 3.33Å; E194-E198 PolarHBondContact O-N 2.89Å; E195-E198 PolarHBondContact O-N 3Å; E198-I201 PolarHBondContact O-N 2.85Å; E198-G202 PolarHBondContact O-N 3.22Å; E198-R243 WeakPolarHBondContact OE1-CD 3.48Å; E198-M244 HydrophobicContact CB-CG 4.09Å; E198-M244 HydrophobicContact CB-SD 4.03Å; E198-M244 HydrophobicContact CG-CG 3.68Å; E198-M244 HydrophobicContact CG-SD 4Å; E198-K247 IonicContact OE1-NZ 2.84Å; E198-K247 PolarHBondContact OE1-NZ 2.81Å; E198-K247 IonicContact OE2-NZ 3.85Å; E198-K247 PolarHBondContact OE2-NZ 2.92Å
199L98.1Very high96.9Very high16 Ų1637.3 Ų37.38%0.08420%0.202CC..Hα-helixtrans-63.4-41.8174.9176.859.5000111.9V43 L181 E184 F185 Y191 E195 V197 G202 C203V43-L199 HydrophobicContact CG1-CD2 3.97Å; V43-L199 HydrophobicContact CG2-CD2 4.23Å; V43-L199 HydrophobicContact CG2-CG 4.25Å; L181-L199 HydrophobicContact CD2-CD1 4.42Å; L181-L199 HydrophobicContact CD2-CD2 4.45Å; L181-L199 HydrophobicContact CD2-CG 4.26Å; E184-L199 HydrophobicContact CB-CD1 3.6Å; E184-L199 HydrophobicContact CB-CD2 4.5Å; E184-L199 HydrophobicContact CG-CD1 3.59Å; F185-L199 HydrophobicContact CD2-CD2 4.19Å; F185-L199 HydrophobicContact CE2-CD2 3.66Å; F185-L199 HydrophobicContact CZ-CD2 4.49Å; Y191-L199 HydrophobicContact CD1-CD2 4.3Å; Y191-L199 HydrophobicContact CE1-CB 4.39Å; Y191-L199 HydrophobicContact CE1-CD2 3.77Å; Y191-L199 HydrophobicContact CE2-CD2 4.01Å; E195-L199 VanDerWaalsContact O-CB 3.28Å; E195-L199 WeakPolarHBondContact O-CB 3.32Å; E195-L199 PolarHBondContact O-N 2.92Å; V197-L199 VanDerWaalsContact C-N 3.34Å; V197-L199 PolarHBondContact O-N 3.07Å; L199-G202 PolarHBondContact O-N 3.31Å; L199-C203 VanDerWaalsContact O-CB 3.27Å; L199-C203 WeakPolarHBondContact O-CB 3.27Å; L199-C203 PolarHBondContact O-N 3.4Å
200A98.5Very high97Very high0 Ų035.9 Ų35.90%020%0.197CC..Hα-helixtrans-64.2-43.5177.900000111.5V41 V43 V50 A52 A196 V197 L204V41-A200 HydrophobicContact CG1-CB 4.35Å; V43-A200 HydrophobicContact CG2-CB 4.11Å; V50-A200 HydrophobicContact CG1-CB 4.31Å; A52-A200 HydrophobicContact CB-CB 3.93Å; A196-A200 WeakPolarHBondContact O-CB 3.39Å; A196-A200 PolarHBondContact O-N 3.21Å; V197-A200 PolarHBondContact O-N 2.78Å; A200-L204 WeakPolarHBondContact O-CG 3.29Å; A200-L204 PolarHBondContact O-N 3.28Å
201I98.2Very high97Very high1 Ų138.3 Ų38.31%0.00521%0.21CC..Hα-helixtrans-63.6-50.8174.9-64.5171.4000110.2V197 E198 C203 L204 S205 L217 I219 H240 L241 M244V197-I201 HydrophobicContact CG1-CD1 3.87Å; V197-I201 HydrophobicContact CG1-CG1 4.45Å; V197-I201 WeakPolarHBondContact O-CG1 3.49Å; V197-I201 PolarHBondContact O-N 3.42Å; E198-I201 PolarHBondContact O-N 2.85Å; I201-C203 VanDerWaalsContact C-N 3.28Å; I201-C203 PolarHBondContact O-N 2.81Å; I201-L204 WeakPolarHBondContact O-CB 3.39Å; I201-L204 PolarHBondContact O-N 3.32Å; I201-S205 PolarHBondContact O-N 3.3Å; I201-S205 PolarHBondContact O-OG 3.04Å; I201-L217 HydrophobicContact CD1-CD1 4.49Å; I201-L217 HydrophobicContact CG1-CD1 4.18Å; I201-L217 HydrophobicContact CG2-CD1 4.23Å; I201-I219 HydrophobicContact CD1-CD1 3.7Å; I201-I219 HydrophobicContact CG1-CD1 3.63Å; I201-H240 HydrophobicContact CD1-CB 4.07Å; I201-L241 HydrophobicContact CD1-CD2 4.4Å; I201-L241 HydrophobicContact CG2-CD2 3.71Å; I201-M244 HydrophobicContact CB-CE 4.17Å; I201-M244 HydrophobicContact CB-SD 3.93Å; I201-M244 HydrophobicContact CD1-SD 4.21Å; I201-M244 HydrophobicContact CG2-CE 3.9Å; I201-M244 HydrophobicContact CG2-SD 3.78Å
202G97.2Very high96.9Very high19 Ų1938.6 Ų38.620%0.19621%0.212CC..Hα-helixtrans-57.9-39.7179.800000112.5E198 L199 S205 H206E198-G202 PolarHBondContact O-N 3.22Å; L199-G202 PolarHBondContact O-N 3.31Å; G202-S205 PolarHBondContact O-N 3.47Å; G202-H206 WeakPolarHBondContact O-CB 3.37Å; G202-H206 PolarHBondContact O-N 3.28Å
203C98.2Very high96.8Very high0 Ų042 Ų420%022%0.22CC..Hα-helixtrans-63.2-43174.3-177.50000112.3V41 L181 L199 I201 T207V41-C203 HydrophobicContact CG1-CB 4.38Å; V41-C203 HydrophobicContact CG2-CB 4.44Å; L181-C203 HydrophobicContact CD2-CB 4.01Å; L181-C203 HydrophobicContact CG-CB 4.45Å; L199-C203 VanDerWaalsContact O-CB 3.27Å; L199-C203 WeakPolarHBondContact O-CB 3.27Å; L199-C203 PolarHBondContact O-N 3.4Å; I201-C203 VanDerWaalsContact C-N 3.28Å; I201-C203 PolarHBondContact O-N 2.81Å; C203-T207 VanDerWaalsContact O-CB 3.31Å; C203-T207 WeakPolarHBondContact O-CB 3.49Å; C203-T207 PolarHBondContact O-N 2.95Å; C203-T207 VanDerWaalsContact O-N 3.1Å; C203-T207 PolarHBondContact O-OG1 2.91Å
204L97.8Very high96.7Very high0 Ų040.1 Ų40.10%021%0.211CC..Hα-helixtrans-63.4-47.7176.1-71.3171000110.6L39 V41 A52 A200 I201 T207 H208 F212 L217L39-L204 HydrophobicContact CB-CD2 4.24Å; L39-L204 HydrophobicContact CD2-CD2 3.95Å; L39-L204 HydrophobicContact CG-CD2 3.97Å; V41-L204 HydrophobicContact CG2-CD2 3.8Å; V41-L204 HydrophobicContact CG2-CG 4.07Å; A52-L204 HydrophobicContact CB-CD1 3.84Å; A200-L204 WeakPolarHBondContact O-CG 3.29Å; A200-L204 PolarHBondContact O-N 3.28Å; I201-L204 WeakPolarHBondContact O-CB 3.39Å; I201-L204 PolarHBondContact O-N 3.32Å; L204-T207 PolarHBondContact O-N 3.42Å; L204-H208 PolarHBondContact O-N 3.14Å; L204-H208 PolarHBondContact O-ND1 3.18Å; L204-F212 HydrophobicContact CB-CD2 4.48Å; L204-F212 HydrophobicContact CB-CE2 3.82Å; L204-F212 HydrophobicContact CB-CZ 4.49Å; L204-L217 HydrophobicContact CD1-CD2 3.83Å
205S96.6Very high96.5Very high19 Ų1938.8 Ų38.813%0.13321%0.208CC..Hα-helixtrans-62.7-48-178.9-61.10000111.6I201 G202 T207 H208 S209 M210I201-S205 PolarHBondContact O-N 3.3Å; I201-S205 PolarHBondContact O-OG 3.04Å; G202-S205 PolarHBondContact O-N 3.47Å; S205-T207 PolarHBondContact O-N 3.1Å; S205-H208 CarbonylContact O-C 3.58Å; S205-H208 PolarHBondContact O-N 3.24Å; S205-S209 WeakPolarHBondContact O-CA 3.45Å; S205-S209 PolarHBondContact O-N 3.44Å; S205-M210 VanDerWaalsContact CA-O 3.22Å; S205-M210 WeakPolarHBondContact CA-O 3.43Å; S205-M210 VanDerWaalsContact CB-O 3.23Å; S205-M210 WeakPolarHBondContact CB-O 3.11Å; S205-M210 PolarHBondContact O-N 3.06Å; S205-M210 PolarHBondContact OG-O 3.42Å
206H96.7Very high96.3Very high91 Ų9139.1 Ų39.142%0.42121%0.21SC..Hα-helixtrans-57.8-49.5177.1178.8-71.8000111.3H180 G202 H208 S209H180-H206 AromaticContact CE1-CD2 3.75Å; H180-H206 AromaticContact CE1-CG 3.8Å; H180-H206 AromaticContact ND1-CD2 3.44Å; H180-H206 PolarHBondContact ND1-CD2 3.49Å; H180-H206 AromaticContact ND1-CE1 3.96Å; H180-H206 AromaticContact ND1-CG 3.43Å; H180-H206 AromaticContact ND1-ND1 3.76Å; H180-H206 AromaticContact ND1-NE2 3.76Å; G202-H206 WeakPolarHBondContact O-CB 3.37Å; G202-H206 PolarHBondContact O-N 3.28Å; H206-H208 VanDerWaalsContact C-N 3.29Å; H206-H208 PolarHBondContact O-N 2.93Å; H206-S209 PolarHBondContact O-N 2.64Å
207T97Very high96.3Very high0 Ų039.4 Ų39.40%021%0.212CC..Hα-helixtrans-66.2-31.1-176.6-53.90000112.6L39 K173 E176 A177 C203 L204 S205L39-T207 HydrophobicContact CD2-CG2 3.72Å; K173-T207 HydrophobicContact CB-CG2 3.46Å; K173-T207 VanDerWaalsContact CB-CG2 3.46Å; K173-T207 HydrophobicContact CD-CG2 3.77Å; K173-T207 VanDerWaalsContact CD-O 3.29Å; K173-T207 WeakPolarHBondContact CD-O 3.5Å; K173-T207 HydrophobicContact CG-CG2 4.31Å; K173-T207 PolarHBondContact NZ-O 2.55Å; E176-T207 HydrophobicContact CB-CG2 4.28Å; E176-T207 HydrophobicContact CG-CG2 4.39Å; A177-T207 WeakPolarHBondContact CA-OG1 3.44Å; A177-T207 HydrophobicContact CB-CG2 4.23Å; C203-T207 VanDerWaalsContact O-CB 3.31Å; C203-T207 WeakPolarHBondContact O-CB 3.49Å; C203-T207 PolarHBondContact O-N 2.95Å; C203-T207 VanDerWaalsContact O-N 3.1Å; C203-T207 PolarHBondContact O-OG1 2.91Å; L204-T207 PolarHBondContact O-N 3.42Å; S205-T207 PolarHBondContact O-N 3.1Å
208H94.3Very high96.2Very high19 Ų1939.7 Ų39.79%0.08821%0.213CC..Hα-helixtrans-93.6-9.3177.3-68.584.5000113.6Q54 L204 S205 H206 M210 F212Q54-H208 PolarHBondContact NE2-NE2 2.95Å; Q54-H208 PolarHBondContact OE1-NE2 2.8Å; L204-H208 PolarHBondContact O-N 3.14Å; L204-H208 PolarHBondContact O-ND1 3.18Å; S205-H208 CarbonylContact O-C 3.58Å; S205-H208 PolarHBondContact O-N 3.24Å; H206-H208 VanDerWaalsContact C-N 3.29Å; H206-H208 PolarHBondContact O-N 2.93Å; H208-M210 HydrophobicContact CB-CE 4.09Å; H208-M210 HydrophobicContact CB-CG 3.67Å; H208-M210 HydrophobicContact CB-SD 4.02Å; H208-M210 PolarHBondContact O-N 3.05Å; H208-F212 HydrophobicContact CB-CZ 4.13Å
209S95.1Very high96.2Very high106 Ų10638.7 Ų38.774%0.74121%0.208SC*.THydrogen-bonded Turntrans52.144.1-173.8-47.30000111.8S205 H206S205-S209 WeakPolarHBondContact O-CA 3.45Å; S205-S209 PolarHBondContact O-N 3.44Å; H206-S209 PolarHBondContact O-N 2.64Å
210M93.7Very high96.3Very high92 Ų9238 Ų3845%0.45320%0.204SC..SBendtrans-149.5153.9179.367.7-176.754.800111.1S205 H208 F212S205-M210 VanDerWaalsContact CA-O 3.22Å; S205-M210 WeakPolarHBondContact CA-O 3.43Å; S205-M210 VanDerWaalsContact CB-O 3.23Å; S205-M210 WeakPolarHBondContact CB-O 3.11Å; S205-M210 PolarHBondContact O-N 3.06Å; S205-M210 PolarHBondContact OG-O 3.42Å; H208-M210 HydrophobicContact CB-CE 4.09Å; H208-M210 HydrophobicContact CB-CG 3.67Å; H208-M210 HydrophobicContact CB-SD 4.02Å; H208-M210 PolarHBondContact O-N 3.05Å; M210-F212 HydrophobicContact CG-CE1 4.23Å; M210-F212 HydrophobicContact CG-CE2 4.24Å; M210-F212 HydrophobicContact CG-CZ 3.98Å; M210-F212 HydrophobicContact SD-CE1 3.85Å; M210-F212 HydrophobicContact SD-CZ 4.02Å
211D93.9Very high96.3Very high152 Ų15238.1 Ų38.181%0.81321%0.205SC*.PPolyproline II helixtrans-90.4136168.3-58-45.3000109.9
212F95.2Very high96.3Very high17 Ų1738.1 Ų38.18%0.07521%0.205CC..PPolyproline II helixtrans-94.8143.9179.4-68.4-79000111.1Q54 L204 H208 M210 E216 L217 L241Q54-F212 HydrophobicContact CB-CE1 4.13Å; Q54-F212 HydrophobicContact CB-CZ 4.43Å; L204-F212 HydrophobicContact CB-CD2 4.48Å; L204-F212 HydrophobicContact CB-CE2 3.82Å; L204-F212 HydrophobicContact CB-CZ 4.49Å; H208-F212 HydrophobicContact CB-CZ 4.13Å; M210-F212 HydrophobicContact CG-CE1 4.23Å; M210-F212 HydrophobicContact CG-CE2 4.24Å; M210-F212 HydrophobicContact CG-CZ 3.98Å; M210-F212 HydrophobicContact SD-CE1 3.85Å; M210-F212 HydrophobicContact SD-CZ 4.02Å; F212-E216 HydrophobicContact CD1-CB 3.99Å; F212-L217 HydrophobicContact CB-CD1 3.81Å; F212-L217 HydrophobicContact CB-CD2 4.03Å; F212-L217 HydrophobicContact CB-CG 3.77Å; F212-L217 HydrophobicContact CD1-CD2 4.16Å; F212-L217 HydrophobicContact CD2-CD2 3.97Å; F212-L217 HydrophobicContact CE2-CD2 4.5Å; F212-L217 HydrophobicContact CG-CD1 4.42Å; F212-L217 HydrophobicContact CG-CD2 3.78Å; F212-L217 HydrophobicContact CG-CG 4.09Å; F212-L241 WeakPolarHBondContact O-CD1 3.37Å
213K95.3Very high96.3Very high142 Ų14238 Ų3862%0.61720%0.201SC*.PPolyproline II helixtrans-76.4151.6159.9-63.3175-177.7173.40109.1T215 E216K213-T215 PolarHBondContact O-N 3.38Å; K213-E216 HydrophobicContact CB-CG 4.22Å; K213-E216 PolarHBondContact N-OE2 3.05Å; K213-E216 WeakPolarHBondContact O-CB 3.33Å; K213-E216 PolarHBondContact O-N 3.31Å
214A95.9Very high96.3Very high4 Ų443.8 Ų43.83%0.03323%0.227CC..G310 helixtrans-51.5-35.2176.600000113.1E216 L217 V234 I237 D238 L241A214-E216 VanDerWaalsContact C-N 3.27Å; A214-E216 PolarHBondContact O-N 2.86Å; A214-L217 PolarHBondContact O-N 2.79Å; A214-V234 HydrophobicContact CB-CG1 3.78Å; A214-V234 WeakPolarHBondContact CB-O 3.43Å; A214-I237 HydrophobicContact CB-CB 4.14Å; A214-I237 HydrophobicContact CB-CG2 3.93Å; A214-D238 HydrophobicContact CB-CB 3.85Å; A214-L241 HydrophobicContact CB-CD1 3.98Å
215T93.4Very high96.2Very high53 Ų5348.6 Ų48.633%0.32527%0.266SS..G310 helixtrans-69.8-21179.674.40000113.9R64 K213 L217 V234R64-T215 PolarHBondContact NH1-O 3.24Å; R64-T215 PolarHBondContact NH1-OG1 3.39Å; K213-T215 PolarHBondContact O-N 3.38Å; T215-L217 VanDerWaalsContact C-N 3.29Å; T215-V234 HydrophobicContact CG2-CG1 3.91Å
216E94.1Very high96.2Very high68 Ų6850.7 Ų50.732%0.31828%0.276SS..G310 helixtrans-89.32.4-178-63.4167.2161.700112.3Q54 L55 F212 K213 A214Q54-E216 CarbonylContact C-O 3.54Å; Q54-E216 WeakPolarHBondContact CA-O 3.4Å; L55-E216 PolarHBondContact N-O 3.48Å; F212-E216 HydrophobicContact CD1-CB 3.99Å; K213-E216 HydrophobicContact CB-CG 4.22Å; K213-E216 PolarHBondContact N-OE2 3.05Å; K213-E216 WeakPolarHBondContact O-CB 3.33Å; K213-E216 PolarHBondContact O-N 3.31Å; A214-E216 VanDerWaalsContact C-N 3.27Å; A214-E216 PolarHBondContact O-N 2.86Å
217L96.4Very high96.2Very high7 Ų748 Ų484%0.03727%0.266CS..EExtended strand (participates in β ladder)trans-118.9146.2178.7-64.7172000110.4A53 I201 L204 F212 A214 T215 I219 I237 L241A53-L217 WeakPolarHBondContact O-CA 3.37Å; I201-L217 HydrophobicContact CD1-CD1 4.49Å; I201-L217 HydrophobicContact CG1-CD1 4.18Å; I201-L217 HydrophobicContact CG2-CD1 4.23Å; L204-L217 HydrophobicContact CD1-CD2 3.83Å; F212-L217 HydrophobicContact CB-CD1 3.81Å; F212-L217 HydrophobicContact CB-CD2 4.03Å; F212-L217 HydrophobicContact CB-CG 3.77Å; F212-L217 HydrophobicContact CD1-CD2 4.16Å; F212-L217 HydrophobicContact CD2-CD2 3.97Å; F212-L217 HydrophobicContact CE2-CD2 4.5Å; F212-L217 HydrophobicContact CG-CD1 4.42Å; F212-L217 HydrophobicContact CG-CD2 3.78Å; F212-L217 HydrophobicContact CG-CG 4.09Å; A214-L217 PolarHBondContact O-N 2.79Å; T215-L217 VanDerWaalsContact C-N 3.29Å; L217-I219 HydrophobicContact CB-CG1 4.46Å; L217-I237 HydrophobicContact CB-CG2 4.28Å; L217-I237 HydrophobicContact CD1-CG2 4.06Å; L217-L241 HydrophobicContact CD1-CD2 4.4Å
218E97Very high96.2Very high7 Ų752.3 Ų52.33%0.03329%0.288CS..EExtended strand (participates in β ladder)trans-119.4128.5158.7-71.9-165.5142.700108.6A52 A53 L55 T68 R69 I70 K231A52-E218 CarbonylContact C-O 3.49Å; A52-E218 VanDerWaalsContact CA-O 3.29Å; A52-E218 WeakPolarHBondContact CA-O 3.18Å; A53-E218 PolarHBondContact N-O 3.23Å; A53-E218 PolarHBondContact O-N 3.1Å; L55-E218 HydrophobicContact CB-CG 4.35Å; L55-E218 HydrophobicContact CD1-CG 4.4Å; L55-E218 HydrophobicContact CD2-CG 4.27Å; T68-E218 WeakPolarHBondContact CA-OE1 3.3Å; T68-E218 WeakPolarHBondContact CA-OE2 3.17Å; T68-E218 VanDerWaalsContact CB-OE1 3.3Å; T68-E218 WeakPolarHBondContact CB-OE1 3.21Å; T68-E218 VanDerWaalsContact OG1-CD 3.24Å; T68-E218 PolarHBondContact OG1-OE1 3.39Å; T68-E218 PolarHBondContact OG1-OE2 3.07Å; R69-E218 PolarHBondContact N-OE2 2.9Å; I70-E218 HydrophobicContact CD1-CB 3.66Å; I70-E218 HydrophobicContact CG1-CB 4.12Å; E218-K231 WeakPolarHBondContact OE1-CE 3.36Å; E218-K231 IonicContact OE1-NZ 2.73Å; E218-K231 PolarHBondContact OE1-NZ 3.2Å
219I98.5Very high96.3Very high0 Ų052.1 Ų52.10%029%0.287CS..EExtended strand (participates in β ladder)trans-129.5137.5179.3-51.6-175.4000108.7V50 V51 A52 V197 I201 L217 V221 K231 L232 I237V50-I219 HydrophobicContact CG1-CG2 3.7Å; V51-I219 CarbonylContact O-C 3.54Å; V51-I219 WeakPolarHBondContact O-CA 3.31Å; A52-I219 HydrophobicContact CB-CG1 4Å; V197-I219 HydrophobicContact CG1-CD1 4.04Å; V197-I219 HydrophobicContact CG1-CG2 4.47Å; I201-I219 HydrophobicContact CD1-CD1 3.7Å; I201-I219 HydrophobicContact CG1-CD1 3.63Å; L217-I219 HydrophobicContact CB-CG1 4.46Å; I219-V221 HydrophobicContact CG2-CG1 4.3Å; I219-K231 WeakPolarHBondContact O-CA 3.16Å; I219-K231 WeakPolarHBondContact O-CG 3.44Å; I219-L232 HydrophobicContact CB-CB 4.4Å; I219-L232 HydrophobicContact CB-CD1 3.96Å; I219-L232 HydrophobicContact CB-CG 4.18Å; I219-L232 HydrophobicContact CG2-CD1 3.7Å; I219-L232 HydrophobicContact CG2-CG 4.11Å; I219-L232 PolarHBondContact O-N 3.4Å; I219-I237 HydrophobicContact CB-CD1 4.38Å; I219-I237 HydrophobicContact CB-CG1 4.43Å; I219-I237 HydrophobicContact CD1-CG1 4.12Å; I219-I237 HydrophobicContact CD1-CG2 4.23Å; I219-I237 HydrophobicContact CG1-CD1 4.19Å; I219-I237 HydrophobicContact CG1-CG1 4.28Å
220A98.7Very high96.5Very high0 Ų050.9 Ų50.90%027%0.266CS..EExtended strand (participates in β ladder)trans-133.9150.4169.900000111V50 V51 I70 F229 R230V50-A220 WeakPolarHBondContact CA-O 3.39Å; V51-A220 HydrophobicContact CG2-CB 4.05Å; V51-A220 PolarHBondContact N-O 2.9Å; V51-A220 PolarHBondContact O-N 2.89Å; I70-A220 HydrophobicContact CD1-CB 3.76Å; I70-A220 HydrophobicContact CG2-CB 3.67Å; A220-F229 HydrophobicContact CB-CD2 4.42Å; A220-F229 HydrophobicContact CB-CE2 3.45Å; A220-F229 VanDerWaalsContact CB-CE2 3.45Å; A220-F229 HydrophobicContact CB-CZ 3.54Å; A220-R230 CarbonylContact C-O 3.38Å; A220-R230 WeakPolarHBondContact CA-O 3.39Å; A220-R230 VanDerWaalsContact CB-O 3.3Å; A220-R230 WeakPolarHBondContact CB-O 3.38Å
221V98.7Very high96.7Very high3 Ų351.1 Ų51.12%0.01827%0.265CS..EExtended strand (participates in β ladder)trans-138.3155.6-169.9-54.30000110.9A49 V50 L193 V197 I219 R230 L232A49-V221 WeakPolarHBondContact O-CA 3.34Å; V50-V221 HydrophobicContact CB-CG1 4.48Å; V50-V221 HydrophobicContact CG1-CG1 4.17Å; V50-V221 HydrophobicContact CG2-CG1 3.99Å; L193-V221 HydrophobicContact CD1-CB 4Å; L193-V221 HydrophobicContact CD1-CG1 4.01Å; V197-V221 HydrophobicContact CG2-CG1 4.06Å; I219-V221 HydrophobicContact CG2-CG1 4.3Å; V221-R230 HydrophobicContact CG2-CG 3.75Å; V221-R230 PolarHBondContact N-O 3.48Å; V221-R230 PolarHBondContact O-N 3.2Å; V221-R230 VanDerWaalsContact O-N 3.1Å; V221-L232 HydrophobicContact CG1-CD1 4.29Å; V221-L232 HydrophobicContact CG1-CD2 4.05Å; V221-L232 HydrophobicContact CG1-CG 4.18Å; V221-L232 HydrophobicContact CG2-CD2 3.79Å
222V98.3Very high96.8Very high1 Ų144.3 Ų44.31%0.00623%0.229CC..EExtended strand (participates in β ladder)trans-136.5147164.7-69.60000107.3C48 A49 I142 S143 F229C48-V222 CarbonylContact C-O 2.98Å; C48-V222 WeakPolarHBondContact CA-O 3.37Å; C48-V222 VanDerWaalsContact CB-O 3.3Å; C48-V222 WeakPolarHBondContact CB-O 3.44Å; A49-V222 HydrophobicContact CB-CG2 3.81Å; A49-V222 PolarHBondContact N-O 3.08Å; A49-V222 PolarHBondContact O-N 3.35Å; I142-V222 HydrophobicContact CB-CG2 4Å; I142-V222 HydrophobicContact CD1-CG1 4.38Å; I142-V222 HydrophobicContact CD1-CG2 4.14Å; I142-V222 HydrophobicContact CG1-CG1 4.45Å; I142-V222 HydrophobicContact CG1-CG2 4.28Å; S143-V222 VanDerWaalsContact C-CG2 3.47Å; V222-F229 HydrophobicContact CG1-CB 3.89Å; V222-F229 HydrophobicContact CG1-CD2 4.02Å; V222-F229 HydrophobicContact CG1-CG 4.47Å
223S97.8Very high96.9Very high16 Ų1646.7 Ų46.711%0.11225%0.245CC..EExtended strand (participates in β ladder)trans-145.5166.3178.971.20000112.4D47 A225 D226 P227D47-S223 CarbonylContact O-C 3.56Å; D47-S223 WeakPolarHBondContact O-CA 3.49Å; S223-A225 VanDerWaalsContact C-N 3.28Å; S223-A225 PolarHBondContact O-N 3.14Å; S223-D226 PolarHBondContact N-O 3.11Å; S223-D226 CarbonylContact O-C 3.54Å; S223-D226 PolarHBondContact O-N 3.21Å; S223-D226 PolarHBondContact OG-N 3.3Å; S223-D226 PolarHBondContact OG-O 2.69Å; S223-P227 WeakPolarHBondContact O-CA 3.4Å; S223-P227 VanDerWaalsContact O-N 3.07Å
224K97.4Very high97Very high123 Ų12343.1 Ų43.154%0.53524%0.235SC..SBendtrans-61.8-38.7171.3-177.1173.6-172.3173.70112.4D47 Y144 D226D47-K224 HydrophobicContact CB-CB 3.87Å; D47-K224 HydrophobicContact CB-CD 4.44Å; D47-K224 PolarHBondContact O-N 3.28Å; D47-K224 WeakPolarHBondContact OD1-CD 3.47Å; Y144-K224 HydrophobicContact CD2-CB 4.17Å; Y144-K224 HydrophobicContact CE1-CB 4.17Å; Y144-K224 HydrophobicContact CE1-CG 4.07Å; Y144-K224 HydrophobicContact CE2-CB 3.49Å; Y144-K224 VanDerWaalsContact CE2-CB 3.49Å; Y144-K224 HydrophobicContact CE2-CG 4.11Å; Y144-K224 VanDerWaalsContact CZ-CB 3.49Å; Y144-K224 VanDerWaalsContact OH-CD 3.28Å; Y144-K224 WeakPolarHBondContact OH-CD 3.32Å; Y144-K224 VanDerWaalsContact OH-CG 3.26Å; Y144-K224 WeakPolarHBondContact OH-CG 3.42Å; K224-D226 VanDerWaalsContact C-N 3.34Å
225A96.4Very high97.1Very high100 Ų10049.4 Ų49.483%0.82626%0.263SS*.SBendtrans-72.2-33-177.800000111.9S223S223-A225 VanDerWaalsContact C-N 3.28Å; S223-A225 PolarHBondContact O-N 3.14Å
226D96.4Very high97.3Very high64 Ų6449.8 Ų49.834%0.34226%0.261SS..  trans-13894.2174-175.99.7000108.8S223 K224 I228S223-D226 PolarHBondContact N-O 3.11Å; S223-D226 CarbonylContact O-C 3.54Å; S223-D226 PolarHBondContact O-N 3.21Å; S223-D226 PolarHBondContact OG-N 3.3Å; S223-D226 PolarHBondContact OG-O 2.69Å; K224-D226 VanDerWaalsContact C-N 3.34Å; D226-I228 PolarHBondContact O-N 2.89Å; D226-I228 WeakPolarHBondContact OD1-CB 3.35Å; D226-I228 PolarHBondContact OD1-N 3.32Å
227P96.1Very high97.5Very high33 Ų3346.7 Ų46.721%0.21425%0.247CC..  trans-77.11.8-176.931.4-34.8000112.8Y144 S223Y144-P227 HydrophobicContact CD1-CB 4.29Å; Y144-P227 HydrophobicContact CG-CB 4.5Å; S223-P227 WeakPolarHBondContact O-CA 3.4Å; S223-P227 VanDerWaalsContact O-N 3.07Å
228I97.1Very high97.6Very high92 Ų9250.3 Ų50.347%0.47227%0.266SS..SBendtrans-78.4131.9174-59.6177.3000109D226 R230D226-I228 PolarHBondContact O-N 2.89Å; D226-I228 WeakPolarHBondContact OD1-CB 3.35Å; D226-I228 PolarHBondContact OD1-N 3.32Å; I228-R230 PolarHBondContact O-N 3.12Å
229F98.2Very high97.6Very high15 Ų1552.5 Ų52.57%0.06629%0.286CS..  trans-66.7122.8173.1171.6-96.5000110.8I70 R72 D75 G78 I142 A220 V222I70-F229 HydrophobicContact CG2-CE1 4.11Å; I70-F229 HydrophobicContact CG2-CZ 3.48Å; I70-F229 VanDerWaalsContact CG2-CZ 3.48Å; R72-F229 HydrophobicContact CB-CD1 3.96Å; R72-F229 HydrophobicContact CB-CE1 4.04Å; R72-F229 HydrophobicContact CG-CD1 3.93Å; D75-F229 PolarHBondContact O-N 3.43Å; G78-F229 VanDerWaalsContact CA-CD2 3.47Å; I142-F229 HydrophobicContact CD1-CD2 4.14Å; I142-F229 HydrophobicContact CD1-CE2 4.02Å; I142-F229 HydrophobicContact CG1-CD2 4.07Å; I142-F229 HydrophobicContact CG1-CE2 4.03Å; A220-F229 HydrophobicContact CB-CD2 4.42Å; A220-F229 HydrophobicContact CB-CE2 3.45Å; A220-F229 VanDerWaalsContact CB-CE2 3.45Å; A220-F229 HydrophobicContact CB-CZ 3.54Å; V222-F229 HydrophobicContact CG1-CB 3.89Å; V222-F229 HydrophobicContact CG1-CD2 4.02Å; V222-F229 HydrophobicContact CG1-CG 4.47Å
230R97.7Very high97.6Very high79 Ų7953.7 Ų53.730%0.29829%0.291SS..EExtended strand (participates in β ladder)trans-134.7146.9178.274.5-178.7-165.588.5-8.1112.6A220 V221 I228 L232 E236A220-R230 CarbonylContact C-O 3.38Å; A220-R230 WeakPolarHBondContact CA-O 3.39Å; A220-R230 VanDerWaalsContact CB-O 3.3Å; A220-R230 WeakPolarHBondContact CB-O 3.38Å; V221-R230 HydrophobicContact CG2-CG 3.75Å; V221-R230 PolarHBondContact N-O 3.48Å; V221-R230 PolarHBondContact O-N 3.2Å; V221-R230 VanDerWaalsContact O-N 3.1Å; I228-R230 PolarHBondContact O-N 3.12Å; R230-L232 VanDerWaalsContact NH1-CD2 3.28Å; R230-E236 IonicContact CZ-OE1 3.16Å; R230-E236 VanDerWaalsContact CZ-OE1 3.28Å; R230-E236 IonicContact CZ-OE2 3.38Å; R230-E236 VanDerWaalsContact NH1-CD 3.3Å; R230-E236 IonicContact NH1-OE1 3.63Å; R230-E236 PolarHBondContact NH1-OE1 2.99Å; R230-E236 IonicContact NH1-OE2 3.73Å; R230-E236 PolarHBondContact NH1-OE2 2.88Å; R230-E236 IonicContact NH2-OE1 2.66Å; R230-E236 PolarHBondContact NH2-OE1 3.16Å
231K97.6Very high97.6Very high98 Ų9855.1 Ų55.143%0.42630%0.299SS..EExtended strand (participates in β ladder)trans-86.2138.4167.7-169.5-175.8178.8-179.50108.8E218 I219E218-K231 WeakPolarHBondContact OE1-CE 3.36Å; E218-K231 IonicContact OE1-NZ 2.73Å; E218-K231 PolarHBondContact OE1-NZ 3.2Å; I219-K231 WeakPolarHBondContact O-CA 3.16Å; I219-K231 WeakPolarHBondContact O-CG 3.44Å
232L98Very high97.5Very high9 Ų958.1 Ų58.15%0.04732%0.317CS..PPolyproline II helixtrans-71144.4172-58.7-169.7000110.4V197 I219 V221 R230 E236 I237V197-L232 HydrophobicContact CG1-CD1 4.34Å; V197-L232 HydrophobicContact CG2-CD1 4.36Å; I219-L232 HydrophobicContact CB-CB 4.4Å; I219-L232 HydrophobicContact CB-CD1 3.96Å; I219-L232 HydrophobicContact CB-CG 4.18Å; I219-L232 HydrophobicContact CG2-CD1 3.7Å; I219-L232 HydrophobicContact CG2-CG 4.11Å; I219-L232 PolarHBondContact O-N 3.4Å; V221-L232 HydrophobicContact CG1-CD1 4.29Å; V221-L232 HydrophobicContact CG1-CD2 4.05Å; V221-L232 HydrophobicContact CG1-CG 4.18Å; V221-L232 HydrophobicContact CG2-CD2 3.79Å; R230-L232 VanDerWaalsContact NH1-CD2 3.28Å; L232-E236 VanDerWaalsContact CA-OE2 3.25Å; L232-E236 WeakPolarHBondContact CA-OE2 3.36Å; L232-E236 HydrophobicContact CB-CB 4.19Å; L232-I237 HydrophobicContact CB-CD1 4.29Å; L232-I237 HydrophobicContact CB-CG1 3.82Å; L232-I237 HydrophobicContact CD1-CG1 4.34Å
233T97.2Very high97.3Very high67 Ų6763.2 Ų63.241%0.41134%0.336SS..PPolyproline II helixtrans-75.7167170.981.20000110.9E235 E236 I237T233-E235 WeakPolarHBondContact CB-OE2 3.29Å; T233-E235 PolarHBondContact O-N 3.2Å; T233-E235 PolarHBondContact OG1-N 3.38Å; T233-E235 PolarHBondContact OG1-OE2 3.08Å; T233-E236 PolarHBondContact N-OE2 2.89Å; T233-E236 PolarHBondContact O-N 3.09Å; T233-E236 PolarHBondContact OG1-N 2.73Å; T233-I237 VanDerWaalsContact O-CG1 3.31Å; T233-I237 WeakPolarHBondContact O-CG1 3.38Å; T233-I237 PolarHBondContact O-N 3.09Å
234V96.1Very high97.2Very high67 Ų6764.4 Ų64.441%0.40634%0.34SS..Hα-helixtrans-61.7-37.9177.8177.50000110.3A214 T215 I237 D238A214-V234 HydrophobicContact CB-CG1 3.78Å; A214-V234 WeakPolarHBondContact CB-O 3.43Å; T215-V234 HydrophobicContact CG2-CG1 3.91Å; V234-I237 PolarHBondContact O-N 2.71Å; V234-D238 WeakPolarHBondContact O-CB 3.31Å; V234-D238 PolarHBondContact O-N 2.64Å
235E98Very high97Very high135 Ų13562.1 Ų62.163%0.63134%0.34SS*.Hα-helixtrans-66.9-40.2179.4-56.473-15800111.7T233 D238 A239T233-E235 WeakPolarHBondContact CB-OE2 3.29Å; T233-E235 PolarHBondContact O-N 3.2Å; T233-E235 PolarHBondContact OG1-N 3.38Å; T233-E235 PolarHBondContact OG1-OE2 3.08Å; E235-D238 PolarHBondContact O-N 3.04Å; E235-A239 PolarHBondContact O-N 3.32Å
236E98.2Very high96.7Very high61 Ų6164.4 Ų64.429%0.28533%0.333SS..Hα-helixtrans-64.2-43.9174.6-69.6179.611700111.3R230 L232 T233 D238 A239 H240R230-E236 IonicContact CZ-OE1 3.16Å; R230-E236 VanDerWaalsContact CZ-OE1 3.28Å; R230-E236 IonicContact CZ-OE2 3.38Å; R230-E236 VanDerWaalsContact NH1-CD 3.3Å; R230-E236 IonicContact NH1-OE1 3.63Å; R230-E236 PolarHBondContact NH1-OE1 2.99Å; R230-E236 IonicContact NH1-OE2 3.73Å; R230-E236 PolarHBondContact NH1-OE2 2.88Å; R230-E236 IonicContact NH2-OE1 2.66Å; R230-E236 PolarHBondContact NH2-OE1 3.16Å; L232-E236 VanDerWaalsContact CA-OE2 3.25Å; L232-E236 WeakPolarHBondContact CA-OE2 3.36Å; L232-E236 HydrophobicContact CB-CB 4.19Å; T233-E236 PolarHBondContact N-OE2 2.89Å; T233-E236 PolarHBondContact O-N 3.09Å; T233-E236 PolarHBondContact OG1-N 2.73Å; E236-D238 VanDerWaalsContact C-N 3.34Å; E236-D238 PolarHBondContact O-N 3.5Å; E236-A239 PolarHBondContact O-N 3.26Å; E236-H240 PolarHBondContact O-CD2 3.19Å; E236-H240 PolarHBondContact O-N 3.46Å
237I98.2Very high96.2Very high3 Ų367.5 Ų67.52%0.01534%0.344CS..Hα-helixtrans-63.4-42.5177.2-63.3167.9000110.4A214 L217 I219 L232 T233 V234 A239 H240 L241A214-I237 HydrophobicContact CB-CB 4.14Å; A214-I237 HydrophobicContact CB-CG2 3.93Å; L217-I237 HydrophobicContact CB-CG2 4.28Å; L217-I237 HydrophobicContact CD1-CG2 4.06Å; I219-I237 HydrophobicContact CB-CD1 4.38Å; I219-I237 HydrophobicContact CB-CG1 4.43Å; I219-I237 HydrophobicContact CD1-CG1 4.12Å; I219-I237 HydrophobicContact CD1-CG2 4.23Å; I219-I237 HydrophobicContact CG1-CD1 4.19Å; I219-I237 HydrophobicContact CG1-CG1 4.28Å; L232-I237 HydrophobicContact CB-CD1 4.29Å; L232-I237 HydrophobicContact CB-CG1 3.82Å; L232-I237 HydrophobicContact CD1-CG1 4.34Å; T233-I237 VanDerWaalsContact O-CG1 3.31Å; T233-I237 WeakPolarHBondContact O-CG1 3.38Å; T233-I237 PolarHBondContact O-N 3.09Å; V234-I237 PolarHBondContact O-N 2.71Å; I237-A239 VanDerWaalsContact C-N 3.32Å; I237-A239 PolarHBondContact O-N 2.95Å; I237-H240 WeakPolarHBondContact O-CB 3.4Å; I237-H240 PolarHBondContact O-N 2.76Å; I237-H240 VanDerWaalsContact O-N 3.16Å; I237-L241 HydrophobicContact CG2-CD1 4.17Å; I237-L241 WeakPolarHBondContact O-CG 3.43Å; I237-L241 PolarHBondContact O-N 2.73Å
238D97.9Very high95Very high83 Ų8375.4 Ų75.444%0.44438%0.384SS..Hα-helixtrans-61.1-40.8178.5-160.765.2000111.8A214 V234 E235 E236 H240 L241 V242A214-D238 HydrophobicContact CB-CB 3.85Å; V234-D238 WeakPolarHBondContact O-CB 3.31Å; V234-D238 PolarHBondContact O-N 2.64Å; E235-D238 PolarHBondContact O-N 3.04Å; E236-D238 VanDerWaalsContact C-N 3.34Å; E236-D238 PolarHBondContact O-N 3.5Å; D238-H240 VanDerWaalsContact C-N 3.28Å; D238-H240 PolarHBondContact O-N 2.87Å; D238-L241 PolarHBondContact O-N 2.68Å; D238-L241 VanDerWaalsContact O-N 3.13Å; D238-V242 WeakPolarHBondContact O-CG2 3.49Å; D238-V242 PolarHBondContact O-N 3.1Å
239A98Very high94.9Very high54 Ų5474.6 Ų74.645%0.44638%0.38SS..Hα-helixtrans-60.7-35.5175.400000113.1E235 E236 I237 R243E235-A239 PolarHBondContact O-N 3.32Å; E236-A239 PolarHBondContact O-N 3.26Å; I237-A239 VanDerWaalsContact C-N 3.32Å; I237-A239 PolarHBondContact O-N 2.95Å; A239-R243 WeakPolarHBondContact O-CB 3.33Å; A239-R243 PolarHBondContact O-N 3.27Å
240H97.9Very high94.7Very high24 Ų2477.7 Ų77.711%0.11140%0.396CS..Hα-helixtrans-68.7-44172.7-73.9-73.4000111.8V197 I201 E236 I237 D238 V242 R243 M244V197-H240 HydrophobicContact CG1-CB 4.27Å; I201-H240 HydrophobicContact CD1-CB 4.07Å; E236-H240 PolarHBondContact O-CD2 3.19Å; E236-H240 PolarHBondContact O-N 3.46Å; I237-H240 WeakPolarHBondContact O-CB 3.4Å; I237-H240 PolarHBondContact O-N 2.76Å; I237-H240 VanDerWaalsContact O-N 3.16Å; D238-H240 VanDerWaalsContact C-N 3.28Å; D238-H240 PolarHBondContact O-N 2.87Å; H240-V242 PolarHBondContact O-N 3.12Å; H240-R243 PolarHBondContact O-N 3.19Å; H240-M244 VanDerWaalsContact O-CG 3.32Å; H240-M244 WeakPolarHBondContact O-CG 3.45Å; H240-M244 PolarHBondContact O-N 2.85Å
241L97.5Very high94.6Very high31 Ų3177.7 Ų77.716%0.16240%0.402CS..Hα-helixtrans-61.3-44.1178.7-69.3169.6000112I201 F212 A214 L217 I237 D238 R243 M244 S245I201-L241 HydrophobicContact CD1-CD2 4.4Å; I201-L241 HydrophobicContact CG2-CD2 3.71Å; F212-L241 WeakPolarHBondContact O-CD1 3.37Å; A214-L241 HydrophobicContact CB-CD1 3.98Å; L217-L241 HydrophobicContact CD1-CD2 4.4Å; I237-L241 HydrophobicContact CG2-CD1 4.17Å; I237-L241 WeakPolarHBondContact O-CG 3.43Å; I237-L241 PolarHBondContact O-N 2.73Å; D238-L241 PolarHBondContact O-N 2.68Å; D238-L241 VanDerWaalsContact O-N 3.13Å; L241-R243 PolarHBondContact O-N 3.08Å; L241-M244 PolarHBondContact O-N 3.37Å; L241-S245 PolarHBondContact O-N 3.16Å
242V97Very high94.4Very high65 Ų6576.5 Ų76.539%0.39440%0.401SS..Hα-helixtrans-59.2-48175.3171.90000110.4D238 H240 M244 S245 E246D238-V242 WeakPolarHBondContact O-CG2 3.49Å; D238-V242 PolarHBondContact O-N 3.1Å; H240-V242 PolarHBondContact O-N 3.12Å; V242-M244 VanDerWaalsContact C-N 3.31Å; V242-M244 PolarHBondContact O-N 3.31Å; V242-S245 PolarHBondContact O-N 2.84Å; V242-S245 VanDerWaalsContact O-N 3.13Å; V242-S245 PolarHBondContact O-OG 2.69Å; V242-E246 WeakPolarHBondContact O-CG 3.49Å; V242-E246 PolarHBondContact O-N 2.91Å; V242-E246 VanDerWaalsContact O-N 3.14Å
243R95.1Very high94.2Very high109 Ų10980.7 Ų80.741%0.41142%0.423SS..Hα-helixtrans-62.2-37.4179.4-168.1-176.3-57.5-175.84.3112.9E198 A239 H240 L241 E246E198-R243 WeakPolarHBondContact OE1-CD 3.48Å; A239-R243 WeakPolarHBondContact O-CB 3.33Å; A239-R243 PolarHBondContact O-N 3.27Å; H240-R243 PolarHBondContact O-N 3.19Å; L241-R243 PolarHBondContact O-N 3.08Å; R243-E246 PolarHBondContact O-N 3.31Å
244M95.4Very high94Very high40 Ų4081.6 Ų81.620%0.19742%0.423CS..Hα-helixtrans-63-44.7174.5-70.717367.600110.8E198 I201 H240 L241 V242 E246 K247E198-M244 HydrophobicContact CB-CG 4.09Å; E198-M244 HydrophobicContact CB-SD 4.03Å; E198-M244 HydrophobicContact CG-CG 3.68Å; E198-M244 HydrophobicContact CG-SD 4Å; I201-M244 HydrophobicContact CB-CE 4.17Å; I201-M244 HydrophobicContact CB-SD 3.93Å; I201-M244 HydrophobicContact CD1-SD 4.21Å; I201-M244 HydrophobicContact CG2-CE 3.9Å; I201-M244 HydrophobicContact CG2-SD 3.78Å; H240-M244 VanDerWaalsContact O-CG 3.32Å; H240-M244 WeakPolarHBondContact O-CG 3.45Å; H240-M244 PolarHBondContact O-N 2.85Å; L241-M244 PolarHBondContact O-N 3.37Å; V242-M244 VanDerWaalsContact C-N 3.31Å; V242-M244 PolarHBondContact O-N 3.31Å; M244-E246 PolarHBondContact O-N 3.05Å; M244-K247 PolarHBondContact O-N 3.39Å; M244-K247 VanDerWaalsContact O-N 3.12Å
245S92.5Very high93.8Very high76 Ų7682.6 Ų82.653%0.53143%0.425SS..Hα-helixtrans-66.3-21.9179.370.80000114.7L241 V242L241-S245 PolarHBondContact O-N 3.16Å; V242-S245 PolarHBondContact O-N 2.84Å; V242-S245 VanDerWaalsContact O-N 3.13Å; V242-S245 PolarHBondContact O-OG 2.69Å
246E91.4Very high93.5Very high147 Ų14778.6 Ų78.669%0.68741%0.409SS*.THydrogen-bonded Turntrans-81.9-15.7175.7-70.1176.6167.700113.3V242 R243 M244V242-E246 WeakPolarHBondContact O-CG 3.49Å; V242-E246 PolarHBondContact O-N 2.91Å; V242-E246 VanDerWaalsContact O-N 3.14Å; R243-E246 PolarHBondContact O-N 3.31Å; M244-E246 PolarHBondContact O-N 3.05Å
247K86.1Confident93.1Very high130 Ų13080.1 Ų80.157%0.56542%0.419SS*.THydrogen-bonded Turntrans-89.6-22.3178.7-70.5177.3-177.1177.30113.2E198 M244E198-K247 IonicContact OE1-NZ 2.84Å; E198-K247 PolarHBondContact OE1-NZ 2.81Å; E198-K247 IonicContact OE2-NZ 3.85Å; E198-K247 PolarHBondContact OE2-NZ 2.92Å; M244-K247 PolarHBondContact O-N 3.39Å; M244-K247 VanDerWaalsContact O-N 3.12Å
248D70Confident92.6Very high199 Ų19987.1 Ų87.1100%1.06446%0.456SS*.  trans-78.60178.5-69.3-24.6000112.1

Retrieved 248 of 248 residues in 84.7 ms (Link to these results)

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