A0A087X842_POEFO Loading...

DDAH family member 2, ADMA-independent

AlphaFold DB , UniProt , Accession A0A087X842, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 290 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
1M36.7Very low69.8Low239 Ų23992.7 Ų92.7100%1.17750%0.496SS*.  0115.30-62.7-176.7-158.300106.6N3M1-N3 PolarHBondContact O-N 3.05Å
2A35.4Very low72.1Confident93 Ų9386.1 Ų86.177%0.76946%0.46SS*.  trans-60.4128.7177.100000108.3M4A2-M4 VanDerWaalsContact C-N 3.3Å; A2-M4 PolarHBondContact O-N 3.19Å
3N40.9Very low74.2Confident169 Ų16979.5 Ų79.590%0.90442%0.424SS*.  trans-58.695.3172-103.1-14.2000107.8M1 C5M1-N3 PolarHBondContact O-N 3.05Å; N3-C5 PolarHBondContact O-N 3.28Å
4M53.9Low75.9Confident129 Ų12973.8 Ų73.864%0.63539%0.394SS*.  trans-62.2114.6173.6-72.5-17873.800107A2A2-M4 VanDerWaalsContact C-N 3.3Å; A2-M4 PolarHBondContact O-N 3.19Å
5C60.7Low77.4Confident68 Ų6868.9 Ų68.946%0.45937%0.368SS..PPolyproline II helixtrans-60.2126.9173.6-159.50000106.7N3 Y7N3-C5 PolarHBondContact O-N 3.28Å; C5-Y7 PolarHBondContact O-N 2.96Å
6P74.7Confident78.8Confident52 Ų5265.1 Ų65.134%0.33835%0.347SS..PPolyproline II helixtrans-72137-167.637.1-41.7000107.9R230P6-R230 PolarHBondContact O-NH1 2.94Å; P6-R230 VanDerWaalsContact O-NH1 3.16Å
7Y88.6Confident79.8Confident53 Ų5361.5 Ų61.521%0.20833%0.329CS..THydrogen-bonded Turntrans-48.8148.5-171.3178.4-104.9000114.8C5 R9 F137 G139 M184 Y228 R230C5-Y7 PolarHBondContact O-N 2.96Å; Y7-R9 VanDerWaalsContact C-N 3.33Å; Y7-R9 PolarHBondContact O-N 3.27Å; Y7-F137 HydrophobicContact CD2-CD1 4.34Å; Y7-F137 HydrophobicContact CD2-CE1 4.27Å; Y7-F137 AromaticContact CE2-CD1 3.93Å; Y7-F137 HydrophobicContact CE2-CD1 3.93Å; Y7-F137 HydrophobicContact CE2-CE1 4.32Å; Y7-F137 WeakPolarHBondContact CE2-O 3.14Å; Y7-F137 PolarHBondContact OH-O 2.96Å; Y7-G139 VanDerWaalsContact CD2-CA 3.41Å; Y7-M184 HydrophobicContact CE1-CB 3.67Å; Y7-M184 HydrophobicContact CE1-CG 4.03Å; Y7-M184 WeakPolarHBondContact OH-CB 3.27Å; Y7-M184 WeakPolarHBondContact OH-CG 3.43Å; Y7-Y228 AromaticContact CD1-CD1 3.78Å; Y7-Y228 HydrophobicContact CD1-CD1 3.78Å; Y7-Y228 AromaticContact CD1-CE1 3.79Å; Y7-Y228 HydrophobicContact CD1-CE1 3.79Å; Y7-Y228 AromaticContact CE1-CD1 3.63Å; Y7-Y228 HydrophobicContact CE1-CD1 3.63Å; Y7-Y228 HydrophobicContact CE1-CE1 4.14Å; Y7-R230 VanDerWaalsContact N-NH1 3.13Å; Y7-R230 PolarHBondContact O-NH1 2.88Å
8G92.4Very high80.8Confident5 Ų558.8 Ų58.85%0.05231%0.314CS..THydrogen-bonded Turntrans76.88.3170.800000116.1F10 R230G8-F10 WeakPolarHBondContact O-CD2 3.21Å; G8-F10 WeakPolarHBondContact O-CE2 3.38Å; G8-R230 PolarHBondContact O-N 3.18Å
9R93.6Very high81.6Confident125 Ų12555.8 Ų55.847%0.47230%0.298SS..  trans-76.6127.3166.9-76.3-174.1172.7171.80.5109.7Y7 R230 N284Y7-R9 VanDerWaalsContact C-N 3.33Å; Y7-R9 PolarHBondContact O-N 3.27Å; R9-R230 HydrophobicContact CG-CB 4Å; R9-R230 HydrophobicContact CG-CG 3.94Å; R9-N284 WeakPolarHBondContact O-CB 3.5Å; R9-N284 PolarHBondContact O-ND2 3.21Å
10F95.6Very high82.1Confident51 Ų5160.2 Ų60.222%0.22432%0.317CS..  trans-136.2151.6177-55.7-70.9000110.2G8 L59 V229 L282 N284G8-F10 WeakPolarHBondContact O-CD2 3.21Å; G8-F10 WeakPolarHBondContact O-CE2 3.38Å; F10-L59 HydrophobicContact CB-CD1 4.5Å; F10-L59 HydrophobicContact CB-CD2 4.04Å; F10-L59 VanDerWaalsContact O-CD2 3.24Å; F10-L59 WeakPolarHBondContact O-CD2 3.44Å; F10-V229 HydrophobicContact CD2-CG1 4.12Å; F10-V229 HydrophobicContact CD2-CG2 4.14Å; F10-L282 HydrophobicContact CB-CB 4.38Å; F10-L282 HydrophobicContact CD1-CB 3.49Å; F10-L282 VanDerWaalsContact CD1-CB 3.49Å; F10-L282 HydrophobicContact CD2-CB 3.94Å; F10-L282 HydrophobicContact CD2-CD1 3.71Å; F10-L282 HydrophobicContact CD2-CG 4.34Å; F10-L282 HydrophobicContact CE1-CB 3.57Å; F10-L282 HydrophobicContact CE2-CB 4.02Å; F10-L282 HydrophobicContact CE2-CD1 3.51Å; F10-L282 HydrophobicContact CE2-CG 4.41Å; F10-L282 HydrophobicContact CG-CB 3.67Å; F10-L282 HydrophobicContact CG-CD1 4.3Å; F10-L282 HydrophobicContact CG-CG 4.47Å; F10-L282 HydrophobicContact CZ-CB 3.84Å; F10-L282 HydrophobicContact CZ-CD1 3.97Å; F10-N284 HydrophobicContact CD1-CB 4.36Å
11T95.5Very high82.6Confident36 Ų3658.7 Ų58.722%0.22131%0.31CS..SBendtrans-112.4-29.1175.951.60000111.6Q60 V283 R285T11-Q60 PolarHBondContact O-N 3.26Å; T11-V283 PolarHBondContact N-O 3.23Å; T11-V283 PolarHBondContact OG1-O 3.05Å; T11-R285 PolarHBondContact OG1-N 3.05Å
12H97.9Very high85.2Confident13 Ų1347.7 Ų47.76%0.0626%0.256CS..EExtended strand (participates in β ladder)trans-129.1153-179-5563.8000111.4Q60 V283H12-Q60 CarbonylContact C-O 3.34Å; H12-Q60 WeakPolarHBondContact CA-O 3.3Å; H12-Q60 PolarHBondContact CE1-OE1 3.32Å; H12-Q60 PolarHBondContact NE2-OE1 2.81Å; H12-V283 HydrophobicContact CB-CB 4.29Å; H12-V283 PolarHBondContact N-O 2.87Å; H12-V283 PolarHBondContact O-N 3.45Å
13A98.5Very high87.7Confident0 Ų044.6 Ų44.60%023%0.233CC..EExtended strand (participates in β ladder)trans-123.1125.3163.400000108.7L53 L59 Q60 L61 I62 L281 L282A13-L53 HydrophobicContact CB-CB 4.49Å; A13-L53 HydrophobicContact CB-CD1 4.05Å; A13-L59 HydrophobicContact CB-CB 4.39Å; A13-L59 HydrophobicContact CB-CD1 3.94Å; A13-Q60 PolarHBondContact N-O 3.07Å; A13-L61 HydrophobicContact CB-CD1 4.03Å; A13-L61 WeakPolarHBondContact O-CA 3.36Å; A13-I62 PolarHBondContact O-N 3.48Å; A13-L281 CarbonylContact C-O 3.57Å; A13-L281 WeakPolarHBondContact CA-O 3.48Å; A13-L282 HydrophobicContact CB-CD2 3.88Å
14V98.8Very high89.8Confident0 Ų042.8 Ų42.80%022%0.218CC..EExtended strand (participates in β ladder)trans-97.7126.2171.6-175.60000107.9I62 I64 V107 M108 L111 C280 L281 V283V14-I62 CarbonylContact C-O 3.54Å; V14-I62 WeakPolarHBondContact CA-O 3.36Å; V14-I62 HydrophobicContact CG2-CB 4.29Å; V14-I62 HydrophobicContact CG2-CD1 4.49Å; V14-I64 HydrophobicContact CG1-CD1 3.83Å; V14-I64 HydrophobicContact CG1-CG1 4.11Å; V14-V107 HydrophobicContact CB-CG1 4.44Å; V14-V107 HydrophobicContact CG1-CG1 3.86Å; V14-V107 HydrophobicContact CG2-CG1 3.67Å; V14-M108 HydrophobicContact CB-CE 4.35Å; V14-M108 HydrophobicContact CG1-CE 4.41Å; V14-M108 HydrophobicContact CG2-CE 3.95Å; V14-L111 HydrophobicContact CG2-CD1 4.03Å; V14-C280 CarbonylContact O-C 3.6Å; V14-C280 VanDerWaalsContact O-CA 3.31Å; V14-C280 WeakPolarHBondContact O-CA 3.35Å; V14-L281 HydrophobicContact CB-CB 4.21Å; V14-L281 PolarHBondContact N-O 3.2Å; V14-L281 PolarHBondContact O-N 3.47Å; V14-V283 HydrophobicContact CG2-CG2 4.35Å
15V98.7Very high90.3Very high0 Ų041 Ų410%021%0.214CC..EExtended strand (participates in β ladder)trans-127.8160179.7-62.30000109.4F46 T50 L53 L61 I62 E63 I64 C280V15-F46 HydrophobicContact CB-CE2 3.98Å; V15-F46 HydrophobicContact CB-CZ 3.85Å; V15-F46 HydrophobicContact CG2-CE2 4.43Å; V15-F46 HydrophobicContact CG2-CZ 3.82Å; V15-T50 HydrophobicContact CB-CG2 4.41Å; V15-T50 HydrophobicContact CG1-CG2 4.3Å; V15-T50 HydrophobicContact CG2-CG2 3.95Å; V15-L53 HydrophobicContact CG1-CD1 4.37Å; V15-L61 HydrophobicContact CG1-CD1 3.87Å; V15-L61 HydrophobicContact CG2-CD1 3.85Å; V15-L61 HydrophobicContact CG2-CD2 4.35Å; V15-L61 HydrophobicContact CG2-CG 4.11Å; V15-I62 PolarHBondContact N-O 3.22Å; V15-E63 HydrophobicContact CG2-CB 3.99Å; V15-E63 HydrophobicContact CG2-CG 4.07Å; V15-I64 PolarHBondContact O-N 3.01Å; V15-C280 HydrophobicContact CG1-CB 3.81Å
16R98.4Very high90Very high9 Ų939.7 Ų39.73%0.03421%0.208CC..EExtended strand (participates in β ladder)trans-128.6129.6172.9-171.5155.9-174.6-172.20.6110.2F46 I64 P65 D67 S73 V76R16-F46 WeakPolarHBondContact O-CE2 3.23Å; R16-F46 WeakPolarHBondContact O-CZ 3.42Å; R16-I64 WeakPolarHBondContact CA-O 3.47Å; R16-I64 HydrophobicContact CB-CB 4.12Å; R16-I64 HydrophobicContact CG-CB 3.95Å; R16-I64 HydrophobicContact CG-CG2 4.02Å; R16-P65 PolarHBondContact NE-O 3.37Å; R16-D67 VanDerWaalsContact NH2-CB 3.27Å; R16-D67 IonicContact NH2-OD2 3.97Å; R16-S73 VanDerWaalsContact CD-O 3.3Å; R16-S73 WeakPolarHBondContact CD-O 3.36Å; R16-S73 VanDerWaalsContact CZ-CB 3.45Å; R16-V76 HydrophobicContact CB-CB 4.28Å; R16-V76 HydrophobicContact CB-CG2 4.49Å
17G97.1Very high88.9Confident4 Ų440.9 Ų40.94%0.04123%0.23CC..PPolyproline II helixtrans-59.6155.1-174.700000113.3P19 I64G17-P19 WeakPolarHBondContact O-CD 3.26Å; G17-I64 PolarHBondContact N-O 2.57Å; G17-I64 VanDerWaalsContact N-O 3.1Å
18I97.2Very high86.7Confident13 Ų1345.3 Ų45.37%0.06725%0.252CS..PPolyproline II helixtrans-74.1116.2175.8-56.1-57.6000109.4F22 A42 Q43 F46 W74 L279I18-F22 HydrophobicContact CD1-CD2 4.42Å; I18-F22 HydrophobicContact CD1-CE2 4.36Å; I18-F22 HydrophobicContact CG2-CB 3.61Å; I18-F22 HydrophobicContact CG2-CD1 4.29Å; I18-F22 HydrophobicContact CG2-CD2 3.64Å; I18-F22 HydrophobicContact CG2-CE2 4.36Å; I18-F22 HydrophobicContact CG2-CG 3.59Å; I18-A42 HydrophobicContact CG2-CB 4.25Å; I18-Q43 HydrophobicContact CB-CG 4.04Å; I18-Q43 HydrophobicContact CG2-CG 4.21Å; I18-F46 HydrophobicContact CD1-CB 4.24Å; I18-F46 HydrophobicContact CD1-CD2 4.29Å; I18-F46 HydrophobicContact CD1-CG 4.35Å; I18-F46 HydrophobicContact CG1-CB 3.72Å; I18-F46 HydrophobicContact CG1-CD1 4.46Å; I18-F46 HydrophobicContact CG1-CD2 4.37Å; I18-F46 HydrophobicContact CG1-CG 3.95Å; I18-W74 HydrophobicContact CD1-CB 3.83Å; I18-W74 HydrophobicContact CD1-CG 4.18Å; I18-L279 HydrophobicContact CD1-CD2 4.32Å
19P95.1Very high84.3Confident1 Ų149.2 Ų49.21%0.00629%0.292CS..PPolyproline II helixtrans-73.7161.8-178.131.2-35.2000112.6G17 T21 F22 P66G17-P19 WeakPolarHBondContact O-CD 3.26Å; P19-T21 PolarHBondContact O-N 2.62Å; P19-F22 WeakPolarHBondContact O-CB 3.5Å; P19-F22 PolarHBondContact O-N 2.94Å; P19-P66 HydrophobicContact CB-CB 3.98Å
20E92.4Very high81.7Confident143 Ų14353.4 Ų53.467%0.66831%0.308SS*.THydrogen-bonded Turntrans-64.7-16.4172.8-64.3-175.3173.800113.6F22E20-F22 VanDerWaalsContact C-N 3.35Å
21T92.3Very high79.1Confident30 Ų3060.4 Ų60.418%0.18434%0.342CS..THydrogen-bonded Turntrans-93.611.2174.5540000113P19 G23 K24 P68 P71P19-T21 PolarHBondContact O-N 2.62Å; T21-G23 PolarHBondContact O-N 3.34Å; T21-K24 HydrophobicContact CG2-CD 4.34Å; T21-K24 VanDerWaalsContact O-CB 3.22Å; T21-K24 WeakPolarHBondContact O-CB 3.37Å; T21-K24 WeakPolarHBondContact O-CG 3.31Å; T21-K24 PolarHBondContact O-N 2.8Å; T21-P68 WeakPolarHBondContact CB-O 3.43Å; T21-P68 WeakPolarHBondContact CG2-O 3.27Å; T21-P68 PolarHBondContact OG1-O 2.86Å; T21-P71 VanDerWaalsContact O-CB 3.3Å; T21-P71 WeakPolarHBondContact O-CB 3.23Å; T21-P71 WeakPolarHBondContact OG1-CA 2.82Å
22F92.1Very high76.3Confident7 Ų766.3 Ų66.33%0.03137%0.372CS..THydrogen-bonded Turntrans-53.4130177.1179.2-98.9000112.3I18 P19 E20 K24 V37 Q39 A42 W74 E268 L272I18-F22 HydrophobicContact CD1-CD2 4.42Å; I18-F22 HydrophobicContact CD1-CE2 4.36Å; I18-F22 HydrophobicContact CG2-CB 3.61Å; I18-F22 HydrophobicContact CG2-CD1 4.29Å; I18-F22 HydrophobicContact CG2-CD2 3.64Å; I18-F22 HydrophobicContact CG2-CE2 4.36Å; I18-F22 HydrophobicContact CG2-CG 3.59Å; P19-F22 WeakPolarHBondContact O-CB 3.5Å; P19-F22 PolarHBondContact O-N 2.94Å; E20-F22 VanDerWaalsContact C-N 3.35Å; F22-K24 PolarHBondContact O-N 2.72Å; F22-V37 HydrophobicContact CD1-CB 4.17Å; F22-V37 HydrophobicContact CD1-CG2 3.83Å; F22-V37 HydrophobicContact CE1-CB 3.81Å; F22-V37 HydrophobicContact CE1-CG1 3.99Å; F22-V37 HydrophobicContact CE1-CG2 3.99Å; F22-Q39 HydrophobicContact CB-CG 4.45Å; F22-A42 HydrophobicContact CD1-CB 3.99Å; F22-A42 HydrophobicContact CE1-CB 3.54Å; F22-A42 HydrophobicContact CZ-CB 3.86Å; F22-W74 AromaticContact CD2-CD1 3.71Å; F22-W74 HydrophobicContact CD2-CD2 4.19Å; F22-W74 AromaticContact CD2-CE2 3.72Å; F22-W74 HydrophobicContact CD2-CG 4.18Å; F22-W74 HydrophobicContact CD2-CZ2 4.26Å; F22-W74 AromaticContact CD2-NE1 3.41Å; F22-W74 AromaticContact CE2-CD2 3.86Å; F22-W74 HydrophobicContact CE2-CD2 3.86Å; F22-W74 AromaticContact CE2-CE2 3.42Å; F22-W74 VanDerWaalsContact CE2-CE2 3.42Å; F22-W74 HydrophobicContact CE2-CE3 4.42Å; F22-W74 HydrophobicContact CE2-CG 4.3Å; F22-W74 HydrophobicContact CE2-CH2 4.15Å; F22-W74 AromaticContact CE2-CZ2 3.6Å; F22-W74 HydrophobicContact CE2-CZ2 3.6Å; F22-W74 AromaticContact CE2-NE1 3.65Å; F22-W74 HydrophobicContact CZ-CZ2 4.42Å; F22-E268 HydrophobicContact CE1-CB 4.31Å; F22-E268 HydrophobicContact CZ-CB 4.45Å; F22-L272 HydrophobicContact CD2-CD1 4.28Å; F22-L272 HydrophobicContact CE1-CD1 4.03Å; F22-L272 HydrophobicContact CE2-CD1 3.74Å; F22-L272 HydrophobicContact CZ-CD1 3.59Å
23G87.9Confident73.9Confident29 Ų2968.9 Ų68.930%0.29940%0.402SS..THydrogen-bonded Turntrans79.6-4.7-176.300000115T21T21-G23 PolarHBondContact O-N 3.34Å
24K84Confident72Confident131 Ų13178 Ų7857%0.5745%0.445SS*.  trans-87.1130.5171.2-54.6-178.7-175.2166.10109.1T21 F22 P71T21-K24 HydrophobicContact CG2-CD 4.34Å; T21-K24 VanDerWaalsContact O-CB 3.22Å; T21-K24 WeakPolarHBondContact O-CB 3.37Å; T21-K24 WeakPolarHBondContact O-CG 3.31Å; T21-K24 PolarHBondContact O-N 2.8Å; F22-K24 PolarHBondContact O-N 2.72Å; K24-P71 WeakPolarHBondContact O-CB 3.45Å; K24-P71 WeakPolarHBondContact O-CG 3.32Å
25T64.8Low70.7Confident92 Ų9281.3 Ų81.356%0.56447%0.465SS*.  trans-84125.7172.439.60000110.1G27T25-G27 PolarHBondContact O-N 2.8Å; T25-G27 VanDerWaalsContact O-N 3.13Å
26A54.2Low70.2Confident40 Ų4087 Ų8733%0.33150%0.5SS..THydrogen-bonded Turntrans-67110.4173.200000110P71 Q96A26-P71 HydrophobicContact CB-CG 3.97Å; A26-Q96 HydrophobicContact CB-CB 4.49Å; A26-Q96 HydrophobicContact CB-CG 4.34Å
27G51.5Low69.9Low77 Ų7788.2 Ų88.279%0.79451%0.508SS*.THydrogen-bonded Turntrans90.510.3159.700000118.8T25T25-G27 PolarHBondContact O-N 2.8Å; T25-G27 VanDerWaalsContact O-N 3.13Å
28E43.1Very low69.8Low145 Ų14591.3 Ų91.368%0.67852%0.524SS*.  trans-116.698.4174-68.5-169.1175.100112R30E28-R30 PolarHBondContact O-N 3.46Å
29G41Very low69.7Low87 Ų8793.8 Ų93.890%0.89754%0.535SS*.  trans-74.672.1165.300000111.4
30R38.9Very low69.8Low214 Ų21495.8 Ų95.881%0.80855%0.552SS**  trans-129.4126.1173-77.6-174.3170.7178.6-1.7112.3E28 N32E28-R30 PolarHBondContact O-N 3.46Å; R30-N32 PolarHBondContact O-N 2.86Å
31E40.7Very low70Confident197 Ų19792.2 Ų92.292%0.92153%0.534SS*.  trans-67.835.6-178-61.2174.5130.500115.2
32N37.8Very low70.3Confident161 Ų16191 Ų9186%0.86153%0.526SS*.SBendtrans-120.586.5176.8-83.2-14000111.6R30R30-N32 PolarHBondContact O-N 2.86Å
33G47.2Very low70.6Confident67 Ų6795 Ų9569%0.69155%0.545SS*.  trans7472.4158.900000115.2V35G33-V35 PolarHBondContact O-N 3.03Å
34E58.8Low71.1Confident191 Ų191100.6 Ų100.689%0.89356%0.557SS**  trans-53.9110.2162-78.6-173.4162.200109T36E34-T36 PolarHBondContact O-N 2.89Å
35V71.8Confident71.8Confident70 Ų7095 Ų9542%0.42453%0.534SS..  trans-65.7108.8172.4176.20000107.4G33 V37 K271 L272G33-V35 PolarHBondContact O-N 3.03Å; V35-V37 HydrophobicContact CG1-CG1 4.37Å; V35-V37 PolarHBondContact O-N 2.77Å; V35-K271 HydrophobicContact CG1-CB 3.61Å; V35-K271 WeakPolarHBondContact CG1-O 3.45Å; V35-L272 HydrophobicContact CB-CD2 4.15Å; V35-L272 HydrophobicContact CG1-CD2 4.12Å
36T87.2Confident73.4Confident120 Ų12091.3 Ų91.374%0.73651%0.51SS*.  trans-69.6114.2-179.7-51.90000110.6E34 K271E34-T36 PolarHBondContact O-N 2.89Å; T36-K271 PolarHBondContact O-NZ 3.15Å
37V92.4Very high75.5Confident34 Ų3491.2 Ų91.221%0.20651%0.512CS..  trans-110.1144.7176.9-65.90000111.5F22 V35 K271 L272F22-V37 HydrophobicContact CD1-CB 4.17Å; F22-V37 HydrophobicContact CD1-CG2 3.83Å; F22-V37 HydrophobicContact CE1-CB 3.81Å; F22-V37 HydrophobicContact CE1-CG1 3.99Å; F22-V37 HydrophobicContact CE1-CG2 3.99Å; V35-V37 HydrophobicContact CG1-CG1 4.37Å; V35-V37 PolarHBondContact O-N 2.77Å; V37-K271 HydrophobicContact CG1-CB 4.44Å; V37-K271 HydrophobicContact CG1-CD 4.33Å; V37-L272 HydrophobicContact CG1-CD1 4.21Å; V37-L272 HydrophobicContact CG1-CD2 3.95Å; V37-L272 HydrophobicContact CG1-CG 4.01Å
38D95.9Very high77.7Confident69 Ų6991.4 Ų91.437%0.36950%0.501SS..  trans-94.998.9167.6177.8-15.5000108.4A40 K41 A42 R44 E268D38-A40 VanDerWaalsContact C-N 3.31Å; D38-A40 PolarHBondContact O-N 3.14Å; D38-A40 PolarHBondContact OD1-N 3.46Å; D38-K41 HydrophobicContact CB-CB 3.79Å; D38-K41 PolarHBondContact O-N 2.87Å; D38-K41 PolarHBondContact OD1-N 3.01Å; D38-K41 WeakPolarHBondContact OD2-CB 3.37Å; D38-A42 PolarHBondContact O-N 3.43Å; D38-R44 IonicContact OD2-NH2 3.94Å; D38-E268 PolarHBondContact N-OE2 2.92Å
39Q94.4Very high80.4Confident65 Ų6584.6 Ų84.630%0.30447%0.469SS..Hα-helixtrans-59.7-40.2-178.7-174.7-167.4-2100112.4F22 K41 A42 Q43F22-Q39 HydrophobicContact CB-CG 4.45Å; Q39-K41 VanDerWaalsContact C-N 3.3Å; Q39-K41 PolarHBondContact O-N 3.4Å; Q39-A42 WeakPolarHBondContact O-CB 3.28Å; Q39-A42 PolarHBondContact O-N 3.23Å; Q39-Q43 WeakPolarHBondContact O-CG 3.41Å; Q39-Q43 PolarHBondContact O-N 3.02Å
40A96.7Very high83.1Confident43 Ų4381 Ų8136%0.35543%0.43SS..Hα-helixtrans-66.8-37.1-179.800000110.6D38 R44D38-A40 VanDerWaalsContact C-N 3.31Å; D38-A40 PolarHBondContact O-N 3.14Å; D38-A40 PolarHBondContact OD1-N 3.46Å; A40-R44 WeakPolarHBondContact O-CG 3.46Å; A40-R44 PolarHBondContact O-N 2.91Å; A40-R44 PolarHBondContact O-NH1 3.13Å
41K98Very high86Confident67 Ų6771.5 Ų71.529%0.29140%0.398SS..Hα-helixtrans-67.7-40.2171.9-175.2178166.5-147.40111.9D38 Q39 Q43 R44 Q45 S267 E268D38-K41 HydrophobicContact CB-CB 3.79Å; D38-K41 PolarHBondContact O-N 2.87Å; D38-K41 PolarHBondContact OD1-N 3.01Å; D38-K41 WeakPolarHBondContact OD2-CB 3.37Å; Q39-K41 VanDerWaalsContact C-N 3.3Å; Q39-K41 PolarHBondContact O-N 3.4Å; K41-Q43 VanDerWaalsContact C-N 3.34Å; K41-Q43 PolarHBondContact O-N 3.07Å; K41-R44 PolarHBondContact O-N 2.85Å; K41-Q45 HydrophobicContact CG-CG 4.45Å; K41-Q45 WeakPolarHBondContact O-CB 3.44Å; K41-Q45 VanDerWaalsContact O-CG 3.32Å; K41-Q45 WeakPolarHBondContact O-CG 3.5Å; K41-Q45 PolarHBondContact O-N 2.91Å; K41-S267 PolarHBondContact NZ-OG 2.88Å; K41-S267 VanDerWaalsContact NZ-OG 3.11Å; K41-E268 HydrophobicContact CB-CG 3.94Å; K41-E268 HydrophobicContact CD-CG 3.9Å; K41-E268 WeakPolarHBondContact CD-OE1 3.33Å; K41-E268 WeakPolarHBondContact CE-OE1 3.36Å; K41-E268 HydrophobicContact CG-CG 3.82Å; K41-E268 IonicContact NZ-OE1 2.81Å; K41-E268 PolarHBondContact NZ-OE1 3.25Å
42A97.9Very high88.7Confident4 Ų462.6 Ų62.63%0.03336%0.358CS..Hα-helixtrans-59.6-44.3174.900000111.7I18 F22 D38 Q39 Q45 F46 E268I18-A42 HydrophobicContact CG2-CB 4.25Å; F22-A42 HydrophobicContact CD1-CB 3.99Å; F22-A42 HydrophobicContact CE1-CB 3.54Å; F22-A42 HydrophobicContact CZ-CB 3.86Å; D38-A42 PolarHBondContact O-N 3.43Å; Q39-A42 WeakPolarHBondContact O-CB 3.28Å; Q39-A42 PolarHBondContact O-N 3.23Å; A42-Q45 PolarHBondContact O-N 3.42Å; A42-F46 WeakPolarHBondContact O-CB 3.22Å; A42-F46 PolarHBondContact O-N 3.47Å; A42-E268 HydrophobicContact CB-CB 3.73Å; A42-E268 HydrophobicContact CB-CG 4.28Å
43Q98.1Very high91.6Very high91 Ų9155 Ų5543%0.42532%0.317SS..Hα-helixtrans-62.5-42.3174.8-73.1172.4-16.300112.3I18 Q39 K41 F46 G47I18-Q43 HydrophobicContact CB-CG 4.04Å; I18-Q43 HydrophobicContact CG2-CG 4.21Å; Q39-Q43 WeakPolarHBondContact O-CG 3.41Å; Q39-Q43 PolarHBondContact O-N 3.02Å; K41-Q43 VanDerWaalsContact C-N 3.34Å; K41-Q43 PolarHBondContact O-N 3.07Å; Q43-F46 PolarHBondContact O-N 3.04Å; Q43-G47 PolarHBondContact O-N 3.44Å
44R98.5Very high94Very high147 Ų14758.1 Ų58.156%0.55531%0.308SS*.Hα-helixtrans-62.1-45174.3-73.1-173.8-62.2-903.8111.9D38 A40 K41 G47 C48D38-R44 IonicContact OD2-NH2 3.94Å; A40-R44 WeakPolarHBondContact O-CG 3.46Å; A40-R44 PolarHBondContact O-N 2.91Å; A40-R44 PolarHBondContact O-NH1 3.13Å; K41-R44 PolarHBondContact O-N 2.85Å; R44-G47 PolarHBondContact O-N 3.12Å; R44-C48 PolarHBondContact O-N 3.11Å; R44-C48 PolarHBondContact O-SG 3.13Å; R44-C48 VanDerWaalsContact O-SG 3.36Å
45Q98.6Very high95.8Very high15 Ų1555.4 Ų55.47%0.0730%0.295CS..Hα-helixtrans-61.8-44.8177.5-76178.4-17.800111.9K41 A42 G47 C48 L49 E245 A265 S267 E268K41-Q45 HydrophobicContact CG-CG 4.45Å; K41-Q45 WeakPolarHBondContact O-CB 3.44Å; K41-Q45 VanDerWaalsContact O-CG 3.32Å; K41-Q45 WeakPolarHBondContact O-CG 3.5Å; K41-Q45 PolarHBondContact O-N 2.91Å; A42-Q45 PolarHBondContact O-N 3.42Å; Q45-G47 VanDerWaalsContact C-N 3.35Å; Q45-G47 PolarHBondContact O-N 2.95Å; Q45-C48 WeakPolarHBondContact O-CB 3.48Å; Q45-C48 PolarHBondContact O-N 2.87Å; Q45-L49 PolarHBondContact O-N 2.9Å; Q45-E245 PolarHBondContact NE2-OE1 3.28Å; Q45-A265 WeakPolarHBondContact CB-O 3.49Å; Q45-A265 HydrophobicContact CG-CB 3.93Å; Q45-S267 PolarHBondContact NE2-OG 2.98Å; Q45-E268 VanDerWaalsContact OE1-N 3.07Å
46F98.6Very high96.9Very high14 Ų1458.4 Ų58.46%0.06130%0.303CS..Hα-helixtrans-59.1-44.6173.3179.7-103.5000111.8V15 R16 I18 A42 Q43 C48 L49 T50 L279V15-F46 HydrophobicContact CB-CE2 3.98Å; V15-F46 HydrophobicContact CB-CZ 3.85Å; V15-F46 HydrophobicContact CG2-CE2 4.43Å; V15-F46 HydrophobicContact CG2-CZ 3.82Å; R16-F46 WeakPolarHBondContact O-CE2 3.23Å; R16-F46 WeakPolarHBondContact O-CZ 3.42Å; I18-F46 HydrophobicContact CD1-CB 4.24Å; I18-F46 HydrophobicContact CD1-CD2 4.29Å; I18-F46 HydrophobicContact CD1-CG 4.35Å; I18-F46 HydrophobicContact CG1-CB 3.72Å; I18-F46 HydrophobicContact CG1-CD1 4.46Å; I18-F46 HydrophobicContact CG1-CD2 4.37Å; I18-F46 HydrophobicContact CG1-CG 3.95Å; A42-F46 WeakPolarHBondContact O-CB 3.22Å; A42-F46 PolarHBondContact O-N 3.47Å; Q43-F46 PolarHBondContact O-N 3.04Å; F46-C48 VanDerWaalsContact C-N 3.3Å; F46-C48 PolarHBondContact O-N 3.37Å; F46-L49 WeakPolarHBondContact O-CB 3.42Å; F46-L49 PolarHBondContact O-N 3.28Å; F46-T50 HydrophobicContact CD1-CG2 4.21Å; F46-T50 HydrophobicContact CD2-CG2 4.44Å; F46-T50 HydrophobicContact CE1-CG2 3.79Å; F46-T50 HydrophobicContact CE2-CG2 4.04Å; F46-T50 HydrophobicContact CZ-CG2 3.7Å; F46-T50 WeakPolarHBondContact O-CG2 3.31Å; F46-T50 PolarHBondContact O-N 2.84Å; F46-T50 PolarHBondContact O-OG1 3.41Å; F46-L279 HydrophobicContact CD2-CD2 4.45Å
47G98.4Very high97.4Very high37 Ų3753.4 Ų53.438%0.38127%0.272SS..Hα-helixtrans-59.1-36.9174.300000113.7Q43 R44 Q45 T50 G51Q43-G47 PolarHBondContact O-N 3.44Å; R44-G47 PolarHBondContact O-N 3.12Å; Q45-G47 VanDerWaalsContact C-N 3.35Å; Q45-G47 PolarHBondContact O-N 2.95Å; G47-T50 PolarHBondContact O-OG1 2.83Å; G47-T50 VanDerWaalsContact O-OG1 3.09Å; G47-G51 PolarHBondContact O-N 2.89Å
48C98.6Very high97.6Very high82 Ų8254.6 Ų54.655%0.55429%0.291SS*.Hα-helixtrans-66.7-43.7173.9-68.20000112.1R44 Q45 F46 G51 A52R44-C48 PolarHBondContact O-N 3.11Å; R44-C48 PolarHBondContact O-SG 3.13Å; R44-C48 VanDerWaalsContact O-SG 3.36Å; Q45-C48 WeakPolarHBondContact O-CB 3.48Å; Q45-C48 PolarHBondContact O-N 2.87Å; F46-C48 VanDerWaalsContact C-N 3.3Å; F46-C48 PolarHBondContact O-N 3.37Å; C48-G51 PolarHBondContact O-N 2.84Å; C48-A52 WeakPolarHBondContact O-CB 3.34Å; C48-A52 PolarHBondContact O-N 3.1Å
49L98.7Very high97.6Very high1 Ų151.8 Ų51.81%0.00528%0.276CS..Hα-helixtrans-59.8-51.3175.8173.168.4000111.2Q45 F46 G51 A52 L53 I227 L239 T264 L279Q45-L49 PolarHBondContact O-N 2.9Å; F46-L49 WeakPolarHBondContact O-CB 3.42Å; F46-L49 PolarHBondContact O-N 3.28Å; L49-G51 VanDerWaalsContact C-N 3.31Å; L49-G51 PolarHBondContact O-N 3.25Å; L49-A52 WeakPolarHBondContact O-CB 3.41Å; L49-A52 PolarHBondContact O-N 3.17Å; L49-A52 VanDerWaalsContact O-N 3.17Å; L49-L53 HydrophobicContact CD1-CD1 4.06Å; L49-L53 HydrophobicContact CD1-CG 4.26Å; L49-L53 HydrophobicContact CG-CD1 4.03Å; L49-L53 WeakPolarHBondContact O-CG 3.36Å; L49-L53 PolarHBondContact O-N 3.43Å; L49-I227 HydrophobicContact CD1-CD1 4.02Å; L49-L239 HydrophobicContact CD1-CD2 3.68Å; L49-T264 HydrophobicContact CB-CG2 3.94Å; L49-T264 HydrophobicContact CD1-CG2 3.92Å; L49-L279 HydrophobicContact CD2-CB 3.34Å; L49-L279 HydrophobicContact CD2-CD1 3.82Å; L49-L279 HydrophobicContact CD2-CG 4.22Å
50T98.6Very high97.8Very high13 Ų1354.7 Ų54.78%0.0829%0.289CS..Hα-helixtrans-64.7-37.2-179.959.40000111.8V15 F46 G47 R54 L61V15-T50 HydrophobicContact CB-CG2 4.41Å; V15-T50 HydrophobicContact CG1-CG2 4.3Å; V15-T50 HydrophobicContact CG2-CG2 3.95Å; F46-T50 HydrophobicContact CD1-CG2 4.21Å; F46-T50 HydrophobicContact CD2-CG2 4.44Å; F46-T50 HydrophobicContact CE1-CG2 3.79Å; F46-T50 HydrophobicContact CE2-CG2 4.04Å; F46-T50 HydrophobicContact CZ-CG2 3.7Å; F46-T50 WeakPolarHBondContact O-CG2 3.31Å; F46-T50 PolarHBondContact O-N 2.84Å; F46-T50 PolarHBondContact O-OG1 3.41Å; G47-T50 PolarHBondContact O-OG1 2.83Å; G47-T50 VanDerWaalsContact O-OG1 3.09Å; T50-R54 VanDerWaalsContact O-CB 3.26Å; T50-R54 WeakPolarHBondContact O-CB 3.25Å; T50-R54 PolarHBondContact O-N 3.21Å; T50-L61 HydrophobicContact CG2-CD2 4.09Å
51G98.4Very high97.9Very high13 Ų1354.6 Ų54.613%0.13428%0.283CS..Hα-helixtrans-59.5-45.7170.900000112.7G47 C48 L49 Q55G47-G51 PolarHBondContact O-N 2.89Å; C48-G51 PolarHBondContact O-N 2.84Å; L49-G51 VanDerWaalsContact C-N 3.31Å; L49-G51 PolarHBondContact O-N 3.25Å; G51-Q55 WeakPolarHBondContact O-CA 3.38Å; G51-Q55 VanDerWaalsContact O-CB 3.25Å; G51-Q55 WeakPolarHBondContact O-CB 3.29Å; G51-Q55 PolarHBondContact O-N 3.08Å
52A98.3Very high97.9Very high11 Ų1153.7 Ų53.79%0.09128%0.281CS..Iπ-helixtrans-62.6-50.717700000111.6C48 L49 R54 K56 V57 L239C48-A52 WeakPolarHBondContact O-CB 3.34Å; C48-A52 PolarHBondContact O-N 3.1Å; L49-A52 WeakPolarHBondContact O-CB 3.41Å; L49-A52 PolarHBondContact O-N 3.17Å; L49-A52 VanDerWaalsContact O-N 3.17Å; A52-R54 PolarHBondContact O-N 3.32Å; A52-K56 WeakPolarHBondContact O-CA 3.45Å; A52-K56 WeakPolarHBondContact O-CB 3.48Å; A52-K56 PolarHBondContact O-N 3.36Å; A52-V57 PolarHBondContact O-N 2.78Å; A52-L239 HydrophobicContact CB-CD2 4.03Å
53L98.4Very high97.9Very high0 Ų058.5 Ų58.50%030%0.303CS..Iπ-helixtrans-59.7-43.7179.4-66.7171.3000112.1A13 V15 L49 V57 G58 L59 L239 C280 L282A13-L53 HydrophobicContact CB-CB 4.49Å; A13-L53 HydrophobicContact CB-CD1 4.05Å; V15-L53 HydrophobicContact CG1-CD1 4.37Å; L49-L53 HydrophobicContact CD1-CD1 4.06Å; L49-L53 HydrophobicContact CD1-CG 4.26Å; L49-L53 HydrophobicContact CG-CD1 4.03Å; L49-L53 WeakPolarHBondContact O-CG 3.36Å; L49-L53 PolarHBondContact O-N 3.43Å; L53-V57 WeakPolarHBondContact O-CB 3.43Å; L53-G58 PolarHBondContact O-N 2.9Å; L53-G58 VanDerWaalsContact O-N 3.16Å; L53-L59 HydrophobicContact CD2-CD1 4.16Å; L53-L59 PolarHBondContact O-N 2.74Å; L53-L239 HydrophobicContact CD2-CD2 4.05Å; L53-L239 HydrophobicContact CG-CD2 4.34Å; L53-C280 HydrophobicContact CD1-CB 4.17Å; L53-L282 HydrophobicContact CD2-CD2 4.44Å
54R97.8Very high97.9Very high133 Ų13354.8 Ų54.850%0.50229%0.285SS..Iπ-helixtrans-79.5-51.6-177.4-176.6176.860.2179.4-3.2113.2T50 A52 G58 L61T50-R54 VanDerWaalsContact O-CB 3.26Å; T50-R54 WeakPolarHBondContact O-CB 3.25Å; T50-R54 PolarHBondContact O-N 3.21Å; A52-R54 PolarHBondContact O-N 3.32Å; R54-G58 VanDerWaalsContact O-CA 3.26Å; R54-G58 WeakPolarHBondContact O-CA 3.32Å; R54-G58 PolarHBondContact O-N 2.81Å; R54-L61 HydrophobicContact CB-CB 4.42Å
55Q96.8Very high97.9Very high134 Ų13452.3 Ų52.363%0.62629%0.289SS*.Iπ-helixtrans-93.6-31.2-166.9-58.5174-8.100113.3G51G51-Q55 WeakPolarHBondContact O-CA 3.38Å; G51-Q55 VanDerWaalsContact O-CB 3.25Å; G51-Q55 WeakPolarHBondContact O-CB 3.29Å; G51-Q55 PolarHBondContact O-N 3.08Å
56K95.7Very high97.8Very high133 Ų13354.5 Ų54.558%0.57830%0.304SS*.Iπ-helixtrans-94.7-47.1-178.1-55.3-60.6-175.2179.90111.4A52 F237 L262A52-K56 WeakPolarHBondContact O-CA 3.45Å; A52-K56 WeakPolarHBondContact O-CB 3.48Å; A52-K56 PolarHBondContact O-N 3.36Å; K56-F237 WeakPolarHBondContact O-CE1 3.33Å; K56-F237 WeakPolarHBondContact O-CZ 3.32Å; K56-L262 HydrophobicContact CB-CD1 3.89Å; K56-L262 HydrophobicContact CB-CD2 4.07Å; K56-L262 HydrophobicContact CG-CD2 4.3Å
57V96.5Very high97.5Very high16 Ų1656.4 Ų56.410%0.09732%0.315CS..Iπ-helixtrans-81.7-36.5178.8-176.20000111.4A52 L53 L59 V229 F237 L239 L262A52-V57 PolarHBondContact O-N 2.78Å; L53-V57 WeakPolarHBondContact O-CB 3.43Å; V57-L59 HydrophobicContact CB-CG 4.4Å; V57-L59 HydrophobicContact CG1-CD1 4.27Å; V57-L59 HydrophobicContact CG1-CD2 4.19Å; V57-L59 HydrophobicContact CG1-CG 3.84Å; V57-V229 HydrophobicContact CG1-CB 3.85Å; V57-V229 HydrophobicContact CG1-CG1 3.51Å; V57-V229 HydrophobicContact CG1-CG2 4.16Å; V57-F237 HydrophobicContact CG1-CD2 4.08Å; V57-F237 HydrophobicContact CG1-CE2 4.48Å; V57-F237 HydrophobicContact CG1-CG 4.41Å; V57-F237 HydrophobicContact CG2-CB 4.04Å; V57-F237 HydrophobicContact CG2-CD1 4.19Å; V57-F237 HydrophobicContact CG2-CD2 4.45Å; V57-F237 HydrophobicContact CG2-CG 3.99Å; V57-L239 HydrophobicContact CG2-CD1 4.05Å; V57-L262 HydrophobicContact CG2-CD1 3.74Å
58G96.3Very high97.2Very high58 Ų5858 Ų5860%0.59832%0.318SS*.  trans92.821.6177.200000114.7L53 R54L53-G58 PolarHBondContact O-N 2.9Å; L53-G58 VanDerWaalsContact O-N 3.16Å; R54-G58 VanDerWaalsContact O-CA 3.26Å; R54-G58 WeakPolarHBondContact O-CA 3.32Å; R54-G58 PolarHBondContact O-N 2.81Å
59L96.9Very high96.9Very high10 Ų1061.7 Ų61.75%0.05233%0.327CS..PPolyproline II helixtrans-76.8148.2177.9-57.5-178.2000111.6F10 A13 L53 V57 L61 L282F10-L59 HydrophobicContact CB-CD1 4.5Å; F10-L59 HydrophobicContact CB-CD2 4.04Å; F10-L59 VanDerWaalsContact O-CD2 3.24Å; F10-L59 WeakPolarHBondContact O-CD2 3.44Å; A13-L59 HydrophobicContact CB-CB 4.39Å; A13-L59 HydrophobicContact CB-CD1 3.94Å; L53-L59 HydrophobicContact CD2-CD1 4.16Å; L53-L59 PolarHBondContact O-N 2.74Å; V57-L59 HydrophobicContact CB-CG 4.4Å; V57-L59 HydrophobicContact CG1-CD1 4.27Å; V57-L59 HydrophobicContact CG1-CD2 4.19Å; V57-L59 HydrophobicContact CG1-CG 3.84Å; L59-L61 PolarHBondContact O-N 2.83Å; L59-L282 HydrophobicContact CD1-CD2 3.85Å
60Q97.8Very high96.7Very high126 Ų12662.5 Ų62.559%0.58933%0.332SS*.EExtended strand (participates in β ladder)trans-72.3116.1166.7-66.7-171.4-16.500109.2T11 H12 A13T11-Q60 PolarHBondContact O-N 3.26Å; H12-Q60 CarbonylContact C-O 3.34Å; H12-Q60 WeakPolarHBondContact CA-O 3.3Å; H12-Q60 PolarHBondContact CE1-OE1 3.32Å; H12-Q60 PolarHBondContact NE2-OE1 2.81Å; A13-Q60 PolarHBondContact N-O 3.07Å
61L98.3Very high96.5Very high42 Ų4262.4 Ų62.422%0.2233%0.331CS..EExtended strand (participates in β ladder)trans-90.7126.4-177.1-166.774.5000110.4A13 V15 T50 R54 L59A13-L61 HydrophobicContact CB-CD1 4.03Å; A13-L61 WeakPolarHBondContact O-CA 3.36Å; V15-L61 HydrophobicContact CG1-CD1 3.87Å; V15-L61 HydrophobicContact CG2-CD1 3.85Å; V15-L61 HydrophobicContact CG2-CD2 4.35Å; V15-L61 HydrophobicContact CG2-CG 4.11Å; T50-L61 HydrophobicContact CG2-CD2 4.09Å; R54-L61 HydrophobicContact CB-CB 4.42Å; L59-L61 PolarHBondContact O-N 2.83Å
62I98.6Very high96.3Very high47 Ų4763.2 Ų63.224%0.24133%0.332CS..EExtended strand (participates in β ladder)trans-111.1114.4168.9-61.6171.3000107.2A13 V14 V15 V107 L111A13-I62 PolarHBondContact O-N 3.48Å; V14-I62 CarbonylContact C-O 3.54Å; V14-I62 WeakPolarHBondContact CA-O 3.36Å; V14-I62 HydrophobicContact CG2-CB 4.29Å; V14-I62 HydrophobicContact CG2-CD1 4.49Å; V15-I62 PolarHBondContact N-O 3.22Å; I62-V107 HydrophobicContact CD1-CG1 4.26Å; I62-V107 HydrophobicContact CG2-CG1 3.89Å; I62-V107 HydrophobicContact CG2-CG2 4.26Å; I62-L111 HydrophobicContact CD1-CD1 4.03Å; I62-L111 HydrophobicContact CD1-CD2 3.63Å; I62-L111 HydrophobicContact CD1-CG 4.01Å
63E98.4Very high96.1Very high106 Ų10662.7 Ų62.750%0.49533%0.328SS..EExtended strand (participates in β ladder)trans-103.5114.7-179.8-175.7168.9173.400110.2V15V15-E63 HydrophobicContact CG2-CB 3.99Å; V15-E63 HydrophobicContact CG2-CG 4.07Å
64I98.6Very high96Very high12 Ų1262.8 Ų62.86%0.06233%0.328CS..EExtended strand (participates in β ladder)trans-77127.6169.3-57.4175.2000107.5V14 V15 R16 G17 A103 V104 V107V14-I64 HydrophobicContact CG1-CD1 3.83Å; V14-I64 HydrophobicContact CG1-CG1 4.11Å; V15-I64 PolarHBondContact O-N 3.01Å; R16-I64 WeakPolarHBondContact CA-O 3.47Å; R16-I64 HydrophobicContact CB-CB 4.12Å; R16-I64 HydrophobicContact CG-CB 3.95Å; R16-I64 HydrophobicContact CG-CG2 4.02Å; G17-I64 PolarHBondContact N-O 2.57Å; G17-I64 VanDerWaalsContact N-O 3.1Å; I64-A103 HydrophobicContact CD1-CB 4.44Å; I64-A103 HydrophobicContact CG2-CB 3.82Å; I64-V104 HydrophobicContact CD1-CG2 4.17Å; I64-V107 HydrophobicContact CD1-CG2 3.92Å; I64-V107 HydrophobicContact CG1-CG2 3.85Å
65P97.2Very high96Very high96 Ų9656.7 Ų56.762%0.62331%0.305SS*.PPolyproline II helixtrans-56.8145.1176-25.534.5000112.3R16R16-P65 PolarHBondContact NE-O 3.37Å
66P96.1Very high96Very high60 Ų6050.3 Ų50.339%0.3928%0.275SS..PPolyproline II helixtrans-61.8146.7170.425.8-31.8000110.3P19P19-P66 HydrophobicContact CB-CB 3.98Å
67D94Very high96.2Very high55 Ų5544.9 Ų44.929%0.29425%0.252SS..  trans-116115.3173.9-172.7-22.8000108.9R16 E69 L70R16-D67 VanDerWaalsContact NH2-CB 3.27Å; R16-D67 IonicContact NH2-OD2 3.97Å; D67-E69 PolarHBondContact O-N 3.36Å; D67-E69 WeakPolarHBondContact OD1-CB 3.01Å; D67-E69 PolarHBondContact OD1-N 3.44Å; D67-L70 HydrophobicContact CB-CB 4.16Å; D67-L70 HydrophobicContact CB-CD1 4.18Å; D67-L70 HydrophobicContact CB-CG 4.21Å; D67-L70 CarbonylContact O-C 3.51Å; D67-L70 PolarHBondContact O-N 3.4Å
68P91.3Very high96.2Very high69 Ų6944.1 Ų44.145%0.44825%0.247SC..THydrogen-bonded Turntrans-57.5-29.1-179.9-24.934.5000113.9T21 L70T21-P68 WeakPolarHBondContact CB-O 3.43Å; T21-P68 WeakPolarHBondContact CG2-O 3.27Å; T21-P68 PolarHBondContact OG1-O 2.86Å; P68-L70 PolarHBondContact O-N 3.03Å
69E93Very high96.3Very high160 Ų16041.4 Ų41.475%0.74822%0.219SC*.THydrogen-bonded Turntrans-77.1-13.5179.5-59.3-58.5128.700112.3D67 P71D67-E69 PolarHBondContact O-N 3.36Å; D67-E69 WeakPolarHBondContact OD1-CB 3.01Å; D67-E69 PolarHBondContact OD1-N 3.44Å; E69-P71 WeakPolarHBondContact O-CD 3.41Å
70L94.4Very high96.4Very high18 Ų1841.1 Ų41.19%0.09422%0.218CC..  trans-120.578.7-176.8-54178.4000110.8D67 P68 E72 S73 S99 E100D67-L70 HydrophobicContact CB-CB 4.16Å; D67-L70 HydrophobicContact CB-CD1 4.18Å; D67-L70 HydrophobicContact CB-CG 4.21Å; D67-L70 CarbonylContact O-C 3.51Å; D67-L70 PolarHBondContact O-N 3.4Å; P68-L70 PolarHBondContact O-N 3.03Å; L70-E72 PolarHBondContact O-N 3.11Å; L70-E72 VanDerWaalsContact O-N 3.13Å; L70-S73 VanDerWaalsContact O-CB 3.25Å; L70-S73 WeakPolarHBondContact O-CB 3.5Å; L70-S73 PolarHBondContact O-N 3.33Å; L70-S73 PolarHBondContact O-OG 3.33Å; L70-S99 WeakPolarHBondContact CD2-OG 3.49Å; L70-E100 HydrophobicContact CB-CG 4.48Å; L70-E100 HydrophobicContact CD1-CG 4.23Å
71P93.2Very high96.5Very high12 Ų1235.7 Ų35.78%0.07819%0.193CC..THydrogen-bonded Turntrans-64.8-19.9-172.924.8-35.2000114.8T21 K24 A26 E69 W74T21-P71 VanDerWaalsContact O-CB 3.3Å; T21-P71 WeakPolarHBondContact O-CB 3.23Å; T21-P71 WeakPolarHBondContact OG1-CA 2.82Å; K24-P71 WeakPolarHBondContact O-CB 3.45Å; K24-P71 WeakPolarHBondContact O-CG 3.32Å; A26-P71 HydrophobicContact CB-CG 3.97Å; E69-P71 WeakPolarHBondContact O-CD 3.41Å; P71-W74 PolarHBondContact O-NE1 3.06Å
72E94.3Very high96.5Very high29 Ų2935.2 Ų35.214%0.13619%0.191CC..THydrogen-bonded Turntrans-1011.4178.8-66.3-174.588.500113.2L70 W74 R75 K94 R97L70-E72 PolarHBondContact O-N 3.11Å; L70-E72 VanDerWaalsContact O-N 3.13Å; E72-W74 PolarHBondContact O-N 2.91Å; E72-R75 WeakPolarHBondContact O-CB 3.23Å; E72-R75 PolarHBondContact O-N 3.43Å; E72-R75 IonicContact OE1-NE 2.73Å; E72-K94 IonicContact OE1-NZ 3.4Å; E72-K94 PolarHBondContact OE1-NZ 2.94Å; E72-K94 WeakPolarHBondContact OE2-CD 3.2Å; E72-K94 IonicContact OE2-NZ 3.41Å; E72-K94 PolarHBondContact OE2-NZ 2.84Å; E72-R97 HydrophobicContact CB-CG 4.2Å
73S95.7Very high96.3Very high1 Ų135 Ų351%0.00719%0.189CC..THydrogen-bonded Turntrans-63.5-18.1-174.261.60000115.6R16 L70 R75 E100R16-S73 VanDerWaalsContact CD-O 3.3Å; R16-S73 WeakPolarHBondContact CD-O 3.36Å; R16-S73 VanDerWaalsContact CZ-CB 3.45Å; L70-S73 VanDerWaalsContact O-CB 3.25Å; L70-S73 WeakPolarHBondContact O-CB 3.5Å; L70-S73 PolarHBondContact O-N 3.33Å; L70-S73 PolarHBondContact O-OG 3.33Å; S73-R75 PolarHBondContact O-N 3.14Å; S73-E100 PolarHBondContact N-OE1 3.45Å
74W96.1Very high96Very high2 Ų231.5 Ų31.51%0.00818%0.18CC..THydrogen-bonded Turntrans-65.2-16173.157.4-90.3000113.2I18 F22 P71 E72 V76 A269 L272 A274 L279I18-W74 HydrophobicContact CD1-CB 3.83Å; I18-W74 HydrophobicContact CD1-CG 4.18Å; F22-W74 AromaticContact CD2-CD1 3.71Å; F22-W74 HydrophobicContact CD2-CD2 4.19Å; F22-W74 AromaticContact CD2-CE2 3.72Å; F22-W74 HydrophobicContact CD2-CG 4.18Å; F22-W74 HydrophobicContact CD2-CZ2 4.26Å; F22-W74 AromaticContact CD2-NE1 3.41Å; F22-W74 AromaticContact CE2-CD2 3.86Å; F22-W74 HydrophobicContact CE2-CD2 3.86Å; F22-W74 AromaticContact CE2-CE2 3.42Å; F22-W74 VanDerWaalsContact CE2-CE2 3.42Å; F22-W74 HydrophobicContact CE2-CE3 4.42Å; F22-W74 HydrophobicContact CE2-CG 4.3Å; F22-W74 HydrophobicContact CE2-CH2 4.15Å; F22-W74 AromaticContact CE2-CZ2 3.6Å; F22-W74 HydrophobicContact CE2-CZ2 3.6Å; F22-W74 AromaticContact CE2-NE1 3.65Å; F22-W74 HydrophobicContact CZ-CZ2 4.42Å; P71-W74 PolarHBondContact O-NE1 3.06Å; E72-W74 PolarHBondContact O-N 2.91Å; W74-V76 PolarHBondContact O-N 2.95Å; W74-A269 HydrophobicContact CH2-CB 3.94Å; W74-A269 HydrophobicContact CZ3-CB 3.68Å; W74-L272 HydrophobicContact CH2-CB 4.26Å; W74-L272 HydrophobicContact CH2-CD1 4.32Å; W74-L272 HydrophobicContact CZ2-CB 4.14Å; W74-L272 HydrophobicContact CZ2-CD1 3.61Å; W74-A274 HydrophobicContact CH2-CB 3.43Å; W74-A274 VanDerWaalsContact CH2-CB 3.43Å; W74-A274 HydrophobicContact CZ3-CB 3.38Å; W74-L279 HydrophobicContact CE3-CD2 3.54Å; W74-L279 HydrophobicContact CZ3-CD2 4.03Å
75R96.4Very high95.8Very high4 Ų435.8 Ų35.82%0.01520%0.204CC..  trans-81.455.4174.1-64.2175.5179.8-94.2-9.6111.8E72 S73 E77 D78 R97 R177 L272 G273 S278E72-R75 WeakPolarHBondContact O-CB 3.23Å; E72-R75 PolarHBondContact O-N 3.43Å; E72-R75 IonicContact OE1-NE 2.73Å; S73-R75 PolarHBondContact O-N 3.14Å; R75-E77 PolarHBondContact O-N 2.84Å; R75-D78 PolarHBondContact O-N 3.13Å; R75-R97 VanDerWaalsContact CB-NH2 3.3Å; R75-R97 PolarHBondContact O-NH2 2.98Å; R75-R177 VanDerWaalsContact NH1-NH1 3.19Å; R75-L272 VanDerWaalsContact NH2-C 3.26Å; R75-L272 PolarHBondContact NH2-O 2.81Å; R75-G273 PolarHBondContact NH1-O 2.96Å; R75-G273 VanDerWaalsContact NH1-O 3.15Å; R75-S278 CarbonylContact C-O 3.53Å; R75-S278 WeakPolarHBondContact CA-O 3.4Å
76V98.1Very high95.8Very high1 Ų132.3 Ų32.31%0.00618%0.181CC..G310 helixtrans-61.6-28.3-170.471.10000113R16 W74 D78 V79 V104 S278 L281R16-V76 HydrophobicContact CB-CB 4.28Å; R16-V76 HydrophobicContact CB-CG2 4.49Å; W74-V76 PolarHBondContact O-N 2.95Å; V76-D78 PolarHBondContact O-N 3.21Å; V76-V79 PolarHBondContact O-N 2.8Å; V76-V104 HydrophobicContact CG2-CG2 3.84Å; V76-S278 PolarHBondContact N-O 3.29Å; V76-L281 HydrophobicContact CG1-CG 4.3Å; V76-L281 HydrophobicContact CG2-CD1 3.74Å; V76-L281 HydrophobicContact CG2-CG 4.15Å
77E98.4Very high95.9Very high19 Ų1929.5 Ų29.59%0.08916%0.162CC..G310 helixtrans-58.3-34.4175.4-175.5175.2-131.800112.7R75 V79 A80 G132 K179 S277 S278R75-E77 PolarHBondContact O-N 2.84Å; E77-V79 PolarHBondContact O-N 2.87Å; E77-A80 VanDerWaalsContact O-O 3.13Å; E77-G132 WeakPolarHBondContact O-CA 3.32Å; E77-K179 VanDerWaalsContact OE1-CE 3.3Å; E77-K179 WeakPolarHBondContact OE1-CE 3.45Å; E77-K179 IonicContact OE1-NZ 2.83Å; E77-K179 PolarHBondContact OE1-NZ 3.37Å; E77-K179 IonicContact OE2-NZ 3.07Å; E77-S277 WeakPolarHBondContact CB-O 3.43Å; E77-S277 VanDerWaalsContact CD-C 3.48Å; E77-S277 VanDerWaalsContact CD-OG 3.25Å; E77-S277 WeakPolarHBondContact OE1-CB 3.43Å; E77-S277 PolarHBondContact OE1-OG 3.31Å; E77-S277 VanDerWaalsContact OE2-C 3.31Å; E77-S277 PolarHBondContact OE2-OG 3.02Å; E77-S278 PolarHBondContact N-O 3.28Å; E77-S278 WeakPolarHBondContact OE2-CA 3.45Å; E77-S278 PolarHBondContact OE2-N 3.34Å
78D98.1Very high96.1Very high0 Ų026.9 Ų26.90%015%0.148CC..G310 helixtrans-68.1-22.7-174.6-71.8-24.8000112.5R75 V76 T90 R97 E131 G132 S133 R177R75-D78 PolarHBondContact O-N 3.13Å; V76-D78 PolarHBondContact O-N 3.21Å; D78-T90 PolarHBondContact O-OG1 3.24Å; D78-R97 IonicContact OD2-CZ 3.89Å; D78-R97 IonicContact OD2-NH1 2.81Å; D78-R97 PolarHBondContact OD2-NH1 3.48Å; D78-R97 IonicContact OD2-NH2 3.99Å; D78-R97 PolarHBondContact OD2-NH2 2.8Å; D78-E131 HydrophobicContact CB-CB 3.96Å; D78-E131 HydrophobicContact CB-CG 4.15Å; D78-E131 WeakPolarHBondContact O-CA 3.31Å; D78-G132 PolarHBondContact O-N 3.42Å; D78-G132 VanDerWaalsContact O-N 3.08Å; D78-S133 WeakPolarHBondContact OD1-CB 3.33Å; D78-S133 PolarHBondContact OD1-N 2.98Å; D78-S133 PolarHBondContact OD1-OG 3.04Å; D78-R177 IonicContact OD2-NH2 3.67Å
79V98.3Very high96.4Very high1 Ų123.6 Ų23.61%0.00613%0.127CC..G310 helixtrans-92.3-16.5-167.3-1760000112.5V76 E77 T90 E100 A101 V104V76-V79 PolarHBondContact O-N 2.8Å; E77-V79 PolarHBondContact O-N 2.87Å; V79-T90 VanDerWaalsContact C-OG1 3.29Å; V79-T90 VanDerWaalsContact CA-OG1 3.26Å; V79-T90 WeakPolarHBondContact CA-OG1 3.42Å; V79-T90 PolarHBondContact O-N 2.57Å; V79-T90 PolarHBondContact O-OG1 3.38Å; V79-E100 HydrophobicContact CG2-CB 3.89Å; V79-A101 VanDerWaalsContact CG1-CA 3.42Å; V79-A101 HydrophobicContact CG1-CB 4.03Å; V79-V104 HydrophobicContact CB-CG2 4.11Å; V79-V104 HydrophobicContact CG1-CB 3.93Å; V79-V104 HydrophobicContact CG1-CG1 4.33Å; V79-V104 HydrophobicContact CG1-CG2 3.75Å
80A98.6Very high96.7Very high3 Ų316.3 Ų16.33%0.0259%0.093CC..EExtended strand (participates in β ladder)trans-147.8143.7177.300000113.2E77 I82 L88 I89 V104 L281E77-A80 VanDerWaalsContact O-O 3.13Å; A80-I82 HydrophobicContact CB-CG1 4.38Å; A80-L88 CarbonylContact C-O 3.56Å; A80-L88 VanDerWaalsContact CA-O 3.25Å; A80-L88 WeakPolarHBondContact CA-O 3.42Å; A80-I89 HydrophobicContact CB-CD1 4.11Å; A80-V104 HydrophobicContact CB-CG1 3.82Å; A80-L281 HydrophobicContact CB-CD1 3.87Å; A80-L281 HydrophobicContact CB-CD2 4.07Å; A80-L281 VanDerWaalsContact O-CD2 3.25Å; A80-L281 WeakPolarHBondContact O-CD2 3.13Å
81V98.7Very high96.8Very high12 Ų1216.7 Ų16.77%0.0739%0.094CC..EExtended strand (participates in β ladder)trans-113127.4165.1179.40000107.8L88 T90 L130 V135 F142 L158 F162V81-L88 HydrophobicContact CB-CB 4.41Å; V81-L88 PolarHBondContact N-O 3.27Å; V81-L88 PolarHBondContact O-N 2.89Å; V81-T90 HydrophobicContact CG2-CG2 4.11Å; V81-L130 HydrophobicContact CG2-CD2 3.99Å; V81-V135 HydrophobicContact CG1-CG1 4.08Å; V81-V135 HydrophobicContact CG2-CB 4.18Å; V81-V135 HydrophobicContact CG2-CG1 4.27Å; V81-V135 HydrophobicContact CG2-CG2 3.98Å; V81-F142 HydrophobicContact CG1-CE1 4.13Å; V81-L158 HydrophobicContact CG1-CD1 4.3Å; V81-L158 HydrophobicContact CG2-CD1 4.26Å; V81-F162 HydrophobicContact CB-CE2 4.27Å; V81-F162 HydrophobicContact CG1-CE2 3.81Å; V81-F162 HydrophobicContact CG1-CZ 4.21Å
82I98.1Very high96.9Very high32 Ų3216.1 Ų16.116%0.1649%0.09CC..EExtended strand (participates in β ladder)trans-122.8126.4-172.3-53.5172.9000109.1A80 A87 M108 L113 L281 V283A80-I82 HydrophobicContact CB-CG1 4.38Å; I82-A87 HydrophobicContact CG1-CB 4.14Å; I82-M108 HydrophobicContact CD1-CE 3.87Å; I82-M108 HydrophobicContact CD1-SD 3.45Å; I82-M108 WeakPolarHBondContact CD1-SD 3.2Å; I82-M108 HydrophobicContact CG1-SD 4.29Å; I82-L113 HydrophobicContact CG2-CD1 4.03Å; I82-L281 HydrophobicContact CD1-CB 4.02Å; I82-L281 HydrophobicContact CD1-CD1 4.35Å; I82-L281 HydrophobicContact CD1-CD2 4.33Å; I82-L281 HydrophobicContact CD1-CG 4.49Å; I82-V283 HydrophobicContact CD1-CG2 3.67Å
83Q95.5Very high96.8Very high44 Ų4420 Ų2021%0.20611%0.107CC..EExtended strand (participates in β ladder)trans-143.2130.2173.6-172.5-72.4-31.500108.9D85 T86 F137 F142 F162 F165Q83-D85 PolarHBondContact O-N 3.23Å; Q83-T86 PolarHBondContact N-O 3.34Å; Q83-T86 PolarHBondContact O-N 3.16Å; Q83-T86 VanDerWaalsContact O-O 3.06Å; Q83-F137 HydrophobicContact CG-CE1 4.12Å; Q83-F137 HydrophobicContact CG-CE2 4.36Å; Q83-F137 HydrophobicContact CG-CZ 3.96Å; Q83-F142 HydrophobicContact CB-CZ 4.05Å; Q83-F142 HydrophobicContact CG-CZ 4.08Å; Q83-F162 HydrophobicContact CB-CD1 3.81Å; Q83-F162 HydrophobicContact CB-CE1 3.64Å; Q83-F162 HydrophobicContact CB-CZ 4.27Å; Q83-F165 HydrophobicContact CG-CD2 4.43Å; Q83-F165 HydrophobicContact CG-CE2 3.88Å; Q83-F165 HydrophobicContact CG-CZ 4.25Å
84G91.7Very high96.6Very high31 Ų3123.3 Ų23.332%0.3212%0.121SC..THydrogen-bonded Turntrans61.9-123.3-178.600000111.7
85D93.9Very high96.3Very high103 Ų10330 Ų3055%0.55115%0.152SC*.THydrogen-bonded Turntrans-1019.3176.158.73.3000112.8Q83 L113 T114Q83-D85 PolarHBondContact O-N 3.23Å; D85-L113 CarbonylContact O-C 3.58Å; D85-L113 WeakPolarHBondContact O-CA 3.32Å; D85-T114 PolarHBondContact O-N 2.65Å
86T97.1Very high96.1Very high23 Ų2334.9 Ų34.914%0.14118%0.175CC..EExtended strand (participates in β ladder)trans-114.5133.3-176.4-610000111Q83 T114 V116 T161 F162Q83-T86 PolarHBondContact N-O 3.34Å; Q83-T86 PolarHBondContact O-N 3.16Å; Q83-T86 VanDerWaalsContact O-O 3.06Å; T86-T114 CarbonylContact C-O 3.48Å; T86-T114 WeakPolarHBondContact CA-O 3.37Å; T86-V116 HydrophobicContact CG2-CG2 4.04Å; T86-T161 HydrophobicContact CG2-CG2 3.88Å; T86-F162 HydrophobicContact CG2-CE1 3.89Å
87A98.3Very high95.9Very high0 Ų034.9 Ų34.90%018%0.175CC..EExtended strand (participates in β ladder)trans-117.3115.417300000109.3I82 M108 L113 T114 V116I82-A87 HydrophobicContact CG1-CB 4.14Å; A87-M108 HydrophobicContact CB-CB 4.02Å; A87-M108 HydrophobicContact CB-CG 3.83Å; A87-M108 HydrophobicContact CB-SD 4.25Å; A87-L113 HydrophobicContact CB-CB 4.31Å; A87-L113 HydrophobicContact CB-CD1 4.02Å; A87-T114 PolarHBondContact N-O 3.31Å; A87-V116 PolarHBondContact O-N 3.06Å
88L98.7Very high95.6Very high0 Ų037.3 Ų37.30%018%0.183CC..EExtended strand (participates in β ladder)trans-83.6109.2167.3176.259.9000108.3A80 V81 T90 V116 M118 V157 L158 T161 F162A80-L88 CarbonylContact C-O 3.56Å; A80-L88 VanDerWaalsContact CA-O 3.25Å; A80-L88 WeakPolarHBondContact CA-O 3.42Å; V81-L88 HydrophobicContact CB-CB 4.41Å; V81-L88 PolarHBondContact N-O 3.27Å; V81-L88 PolarHBondContact O-N 2.89Å; L88-T90 PolarHBondContact O-N 2.99Å; L88-V116 CarbonylContact C-O 3.32Å; L88-V116 WeakPolarHBondContact CA-O 3.5Å; L88-V116 HydrophobicContact CD1-CB 4.36Å; L88-V116 HydrophobicContact CD1-CG1 4.09Å; L88-M118 HydrophobicContact CD1-CB 4.42Å; L88-M118 HydrophobicContact CD2-CE 4.15Å; L88-V157 HydrophobicContact CD1-CG1 4.2Å; L88-L158 HydrophobicContact CD2-CB 4.02Å; L88-L158 HydrophobicContact CD2-CG 4.24Å; L88-T161 HydrophobicContact CB-CG2 4.14Å; L88-T161 HydrophobicContact CD1-CG2 4.47Å; L88-F162 HydrophobicContact CB-CE2 3.91Å; L88-F162 HydrophobicContact CB-CZ 3.92Å; L88-F162 HydrophobicContact CD2-CE2 4.27Å
89I98.5Very high95.4Very high0 Ų040 Ų400%020%0.202CC..EExtended strand (participates in β ladder)trans-74.7120.7167.6-55.4-58.5000107.5A80 A101 V104 R105 M108 V115 V116 E117 M118A80-I89 HydrophobicContact CB-CD1 4.11Å; I89-A101 HydrophobicContact CG2-CB 3.66Å; I89-V104 HydrophobicContact CD1-CG1 4.13Å; I89-R105 HydrophobicContact CD1-CB 4.34Å; I89-R105 HydrophobicContact CG1-CB 4.34Å; I89-M108 HydrophobicContact CD1-CG 4.17Å; I89-V115 HydrophobicContact CD1-CG1 4.48Å; I89-V115 HydrophobicContact CG1-CG1 3.66Å; I89-V116 PolarHBondContact N-O 3.25Å; I89-E117 VanDerWaalsContact CB-OE2 3.3Å; I89-E117 WeakPolarHBondContact CB-OE2 3.35Å; I89-E117 WeakPolarHBondContact CG1-OE1 3.39Å; I89-E117 VanDerWaalsContact CG2-OE2 3.24Å; I89-E117 WeakPolarHBondContact CG2-OE2 3.42Å; I89-M118 VanDerWaalsContact O-CB 3.31Å; I89-M118 WeakPolarHBondContact O-CB 3.36Å; I89-M118 PolarHBondContact O-N 2.74Å
90T98.1Very high95.3Very high7 Ų740 Ų404%0.04320%0.202CC..  trans-83.9173.4-171.973.30000110.9D78 V79 V81 L88 P92 L130D78-T90 PolarHBondContact O-OG1 3.24Å; V79-T90 VanDerWaalsContact C-OG1 3.29Å; V79-T90 VanDerWaalsContact CA-OG1 3.26Å; V79-T90 WeakPolarHBondContact CA-OG1 3.42Å; V79-T90 PolarHBondContact O-N 2.57Å; V79-T90 PolarHBondContact O-OG1 3.38Å; V81-T90 HydrophobicContact CG2-CG2 4.11Å; L88-T90 PolarHBondContact O-N 2.99Å; T90-P92 WeakPolarHBondContact O-CD 3.42Å; T90-L130 VanDerWaalsContact CB-O 3.28Å; T90-L130 WeakPolarHBondContact CB-O 3.17Å; T90-L130 HydrophobicContact CG2-CD2 3.42Å; T90-L130 VanDerWaalsContact CG2-CD2 3.42Å; T90-L130 PolarHBondContact OG1-O 3.48Å
91R96.4Very high95.2Very high26 Ų2640.5 Ų40.510%0.09821%0.206CC..  trans-11990.9171.8-172.8168.4174.9-87.111.1109.4R98 M118 D120 G126 A128 T129 L130R91-R98 VanDerWaalsContact CZ-NH1 3.26Å; R91-M118 HydrophobicContact CB-CB 4.09Å; R91-M118 HydrophobicContact CB-CG 3.84Å; R91-M118 HydrophobicContact CB-SD 3.77Å; R91-D120 IonicContact NE-OD1 2.9Å; R91-D120 PolarHBondContact NE-OD1 2.65Å; R91-G126 PolarHBondContact NH1-O 2.92Å; R91-A128 WeakPolarHBondContact CD-O 3.32Å; R91-A128 PolarHBondContact NH1-O 2.82Å; R91-T129 WeakPolarHBondContact O-CA 3.35Å; R91-L130 CarbonylContact C-O 3.5Å; R91-L130 PolarHBondContact O-N 3.34Å; R91-L130 VanDerWaalsContact O-N 3.15Å
92P94.9Very high95.1Very high1 Ų143.6 Ų43.61%0.00622%0.222CC..  trans-54.2145.4177.1-28.135.7000112.2T90 K94 R97 R98 E131T90-P92 WeakPolarHBondContact O-CD 3.42Å; P92-K94 PolarHBondContact O-N 3.19Å; P92-R97 HydrophobicContact CB-CB 3.86Å; P92-R97 HydrophobicContact CG-CB 4.35Å; P92-R98 PolarHBondContact O-NE 3.49Å; P92-E131 HydrophobicContact CB-CG 4.17Å
93F93Very high95.1Very high111 Ų11143.3 Ų43.349%0.48722%0.224SC..SBendtrans-58.7-50-177.6172.1-102000111.7Q95 T129 H149F93-Q95 PolarHBondContact O-N 3.4Å; F93-T129 HydrophobicContact CD2-CG2 4.38Å; F93-H149 HydrophobicContact CB-CB 4.45Å
94K91.3Very high95.2Very high69 Ų6941.2 Ų41.230%0.322%0.215SC..SBendtrans-66.9121.1176.4-70-176.5179.4175.70110E72 P92 Q96 R97E72-K94 IonicContact OE1-NZ 3.4Å; E72-K94 PolarHBondContact OE1-NZ 2.94Å; E72-K94 WeakPolarHBondContact OE2-CD 3.2Å; E72-K94 IonicContact OE2-NZ 3.41Å; E72-K94 PolarHBondContact OE2-NZ 2.84Å; P92-K94 PolarHBondContact O-N 3.19Å; K94-Q96 VanDerWaalsContact C-N 3.27Å; K94-Q96 PolarHBondContact O-N 2.95Å; K94-R97 HydrophobicContact CB-CB 4.33Å; K94-R97 HydrophobicContact CB-CG 3.87Å; K94-R97 HydrophobicContact CD-CG 4.36Å; K94-R97 WeakPolarHBondContact O-CB 3.41Å; K94-R97 PolarHBondContact O-N 3.2Å
95Q90.9Very high95.5Very high144 Ų14443.7 Ų43.767%0.67322%0.215SC*.G310 helixtrans-60.4-37-176.8-173.6176.31.800112.7F93 R97 R98F93-Q95 PolarHBondContact O-N 3.4Å; Q95-R97 PolarHBondContact O-N 3.41Å; Q95-R98 WeakPolarHBondContact O-CB 3.4Å; Q95-R98 PolarHBondContact O-N 3.35Å
96Q90.4Very high95.7Very high105 Ų10545.8 Ų45.849%0.49122%0.215SC..G310 helixtrans-61.4-25.9178.4-61.781.1-3.400112.4A26 K94 R98 S99A26-Q96 HydrophobicContact CB-CB 4.49Å; A26-Q96 HydrophobicContact CB-CG 4.34Å; K94-Q96 VanDerWaalsContact C-N 3.27Å; K94-Q96 PolarHBondContact O-N 2.95Å; Q96-R98 VanDerWaalsContact C-N 3.35Å; Q96-S99 PolarHBondContact O-OG 2.87Å; Q96-S99 VanDerWaalsContact O-OG 3.13Å
97R94.1Very high95.7Very high2 Ų245.3 Ų45.31%0.00821%0.212CC..G310 helixtrans-82.3-11.7178.8-63.2-164.360.8-152.3-4.9113.3E72 R75 D78 P92 K94 Q95 S99 E100 E131E72-R97 HydrophobicContact CB-CG 4.2Å; R75-R97 VanDerWaalsContact CB-NH2 3.3Å; R75-R97 PolarHBondContact O-NH2 2.98Å; D78-R97 IonicContact OD2-CZ 3.89Å; D78-R97 IonicContact OD2-NH1 2.81Å; D78-R97 PolarHBondContact OD2-NH1 3.48Å; D78-R97 IonicContact OD2-NH2 3.99Å; D78-R97 PolarHBondContact OD2-NH2 2.8Å; P92-R97 HydrophobicContact CB-CB 3.86Å; P92-R97 HydrophobicContact CG-CB 4.35Å; K94-R97 HydrophobicContact CB-CB 4.33Å; K94-R97 HydrophobicContact CB-CG 3.87Å; K94-R97 HydrophobicContact CD-CG 4.36Å; K94-R97 WeakPolarHBondContact O-CB 3.41Å; K94-R97 PolarHBondContact O-N 3.2Å; Q95-R97 PolarHBondContact O-N 3.41Å; R97-S99 VanDerWaalsContact C-N 3.29Å; R97-S99 PolarHBondContact O-N 3.44Å; R97-E100 WeakPolarHBondContact CA-OE1 3.21Å; R97-E100 HydrophobicContact CB-CG 4.45Å; R97-E100 WeakPolarHBondContact CB-OE1 3.19Å; R97-E100 WeakPolarHBondContact CG-OE1 3.31Å; R97-E100 IonicContact CZ-OE2 3.7Å; R97-E100 IonicContact NE-OE1 3.06Å; R97-E100 PolarHBondContact NE-OE1 3.25Å; R97-E100 IonicContact NE-OE2 2.62Å; R97-E100 PolarHBondContact NE-OE2 3.21Å; R97-E100 IonicContact NH2-OE1 2.76Å; R97-E100 IonicContact NH2-OE2 3.52Å; R97-E100 PolarHBondContact NH2-OE2 3.32Å; R97-E100 WeakPolarHBondContact O-CB 3.48Å; R97-E100 WeakPolarHBondContact O-CG 3.5Å; R97-E100 PolarHBondContact O-N 2.9Å; R97-E131 IonicContact NH1-OE1 3.99Å; R97-E131 PolarHBondContact NH1-OE1 3.48Å; R97-E131 VanDerWaalsContact NH1-OE1 3.13Å
98R93.3Very high95.7Very high69 Ų6945.3 Ų45.326%0.2621%0.212SC..G310 helixtrans-70.4-26.6-175.6-63.2-178.8-172.5164.74.3112.9R91 P92 Q95 Q96 E100 A101R91-R98 VanDerWaalsContact CZ-NH1 3.26Å; P92-R98 PolarHBondContact O-NE 3.49Å; Q95-R98 WeakPolarHBondContact O-CB 3.4Å; Q95-R98 PolarHBondContact O-N 3.35Å; Q96-R98 VanDerWaalsContact C-N 3.35Å; R98-E100 PolarHBondContact O-N 3.08Å; R98-A101 WeakPolarHBondContact O-CB 3.32Å; R98-A101 PolarHBondContact O-N 3.45Å
99S94.1Very high95.6Very high56 Ų5648 Ų4839%0.39223%0.231SC..G310 helixtrans-69-14.517148.20000113.1L70 Q96 R97 A101 D102L70-S99 WeakPolarHBondContact CD2-OG 3.49Å; Q96-S99 PolarHBondContact O-OG 2.87Å; Q96-S99 VanDerWaalsContact O-OG 3.13Å; R97-S99 VanDerWaalsContact C-N 3.29Å; R97-S99 PolarHBondContact O-N 3.44Å; S99-A101 PolarHBondContact O-N 3.32Å; S99-D102 PolarHBondContact O-N 3.07Å
100E96.1Very high95.5Very high3 Ų354.9 Ų54.91%0.01426%0.263CS..G310 helixtrans-62.4-28.1172.6-58.6170.2-167.600111.6L70 S73 V79 R97 R98 D102L70-E100 HydrophobicContact CB-CG 4.48Å; L70-E100 HydrophobicContact CD1-CG 4.23Å; S73-E100 PolarHBondContact N-OE1 3.45Å; V79-E100 HydrophobicContact CG2-CB 3.89Å; R97-E100 WeakPolarHBondContact CA-OE1 3.21Å; R97-E100 HydrophobicContact CB-CG 4.45Å; R97-E100 WeakPolarHBondContact CB-OE1 3.19Å; R97-E100 WeakPolarHBondContact CG-OE1 3.31Å; R97-E100 IonicContact CZ-OE2 3.7Å; R97-E100 IonicContact NE-OE1 3.06Å; R97-E100 PolarHBondContact NE-OE1 3.25Å; R97-E100 IonicContact NE-OE2 2.62Å; R97-E100 PolarHBondContact NE-OE2 3.21Å; R97-E100 IonicContact NH2-OE1 2.76Å; R97-E100 IonicContact NH2-OE2 3.52Å; R97-E100 PolarHBondContact NH2-OE2 3.32Å; R97-E100 WeakPolarHBondContact O-CB 3.48Å; R97-E100 WeakPolarHBondContact O-CG 3.5Å; R97-E100 PolarHBondContact O-N 2.9Å; R98-E100 PolarHBondContact O-N 3.08Å; E100-D102 VanDerWaalsContact C-N 3.29Å; E100-D102 PolarHBondContact O-N 2.98Å
101A96Very high95.4Very high13 Ų1354.9 Ų54.911%0.10726%0.262CS..Hα-helixtrans-58.4-35.3-179.700000113.5V79 I89 R98 S99 A103 V104 R105V79-A101 VanDerWaalsContact CG1-CA 3.42Å; V79-A101 HydrophobicContact CG1-CB 4.03Å; I89-A101 HydrophobicContact CG2-CB 3.66Å; R98-A101 WeakPolarHBondContact O-CB 3.32Å; R98-A101 PolarHBondContact O-N 3.45Å; S99-A101 PolarHBondContact O-N 3.32Å; A101-A103 VanDerWaalsContact C-N 3.34Å; A101-A103 PolarHBondContact O-N 3.21Å; A101-V104 PolarHBondContact O-N 3.26Å; A101-R105 WeakPolarHBondContact O-CB 3.36Å; A101-R105 PolarHBondContact O-N 3.27Å
102D96Very high95.4Very high77 Ų7759.3 Ų59.341%0.41229%0.288SS..Hα-helixtrans-60.9-41.5-174-90-39000113.5S99 E100 R105 R106S99-D102 PolarHBondContact O-N 3.07Å; E100-D102 VanDerWaalsContact C-N 3.29Å; E100-D102 PolarHBondContact O-N 2.98Å; D102-R105 IonicContact OD1-CZ 3.91Å; D102-R105 IonicContact OD1-NE 3.53Å; D102-R105 IonicContact OD1-NH2 3.44Å; D102-R105 PolarHBondContact OD1-NH2 3Å; D102-R106 VanDerWaalsContact O-CG 3.3Å; D102-R106 WeakPolarHBondContact O-CG 3.12Å; D102-R106 PolarHBondContact O-N 3.25Å
103A97.6Very high95.5Very high25 Ų2560 Ų6021%0.20729%0.292CS..Hα-helixtrans-71.4-42.2179.100000111.2I64 A101 R106 V107I64-A103 HydrophobicContact CD1-CB 4.44Å; I64-A103 HydrophobicContact CG2-CB 3.82Å; A101-A103 VanDerWaalsContact C-N 3.34Å; A101-A103 PolarHBondContact O-N 3.21Å; A103-R106 PolarHBondContact O-N 3.22Å; A103-V107 PolarHBondContact O-N 2.73Å
104V98.2Very high95.7Very high1 Ų158.5 Ų58.51%0.00629%0.292CS..Hα-helixtrans-65.1-46179.8-179.70000110.5I64 V76 V79 A80 I89 A101 R106 V107 M108 L281I64-V104 HydrophobicContact CD1-CG2 4.17Å; V76-V104 HydrophobicContact CG2-CG2 3.84Å; V79-V104 HydrophobicContact CB-CG2 4.11Å; V79-V104 HydrophobicContact CG1-CB 3.93Å; V79-V104 HydrophobicContact CG1-CG1 4.33Å; V79-V104 HydrophobicContact CG1-CG2 3.75Å; A80-V104 HydrophobicContact CB-CG1 3.82Å; I89-V104 HydrophobicContact CD1-CG1 4.13Å; A101-V104 PolarHBondContact O-N 3.26Å; V104-R106 VanDerWaalsContact C-N 3.33Å; V104-R106 PolarHBondContact O-N 2.99Å; V104-V107 PolarHBondContact O-N 2.76Å; V104-V107 VanDerWaalsContact O-N 3.13Å; V104-M108 HydrophobicContact CG1-CE 3.84Å; V104-M108 HydrophobicContact CG1-CG 4.28Å; V104-M108 WeakPolarHBondContact O-CG 3.14Å; V104-M108 PolarHBondContact O-N 3.06Å; V104-L281 HydrophobicContact CG1-CD1 3.73Å
105R97.8Very high96Very high83 Ų8357.3 Ų57.331%0.31329%0.29SS..Hα-helixtrans-53.3-46.2175.5-178.7179.562.378.4-3.4112.5I89 A101 D102 M108 S109 V115 E117I89-R105 HydrophobicContact CD1-CB 4.34Å; I89-R105 HydrophobicContact CG1-CB 4.34Å; A101-R105 WeakPolarHBondContact O-CB 3.36Å; A101-R105 PolarHBondContact O-N 3.27Å; D102-R105 IonicContact OD1-CZ 3.91Å; D102-R105 IonicContact OD1-NE 3.53Å; D102-R105 IonicContact OD1-NH2 3.44Å; D102-R105 PolarHBondContact OD1-NH2 3Å; R105-M108 PolarHBondContact O-N 3.27Å; R105-S109 PolarHBondContact O-N 2.87Å; R105-S109 PolarHBondContact O-OG 2.82Å; R105-V115 HydrophobicContact CG-CG1 4.08Å; R105-E117 WeakPolarHBondContact CD-OE1 3.43Å; R105-E117 WeakPolarHBondContact CG-OE1 3.35Å
106R98.2Very high96.3Very high147 Ų14752.8 Ų52.856%0.55527%0.272SS*.Hα-helixtrans-60-47.5176.8-70.9173.1-160.7-173.15.1111.5D102 A103 V104 M108 S109 E110D102-R106 VanDerWaalsContact O-CG 3.3Å; D102-R106 WeakPolarHBondContact O-CG 3.12Å; D102-R106 PolarHBondContact O-N 3.25Å; A103-R106 PolarHBondContact O-N 3.22Å; V104-R106 VanDerWaalsContact C-N 3.33Å; V104-R106 PolarHBondContact O-N 2.99Å; R106-M108 PolarHBondContact O-N 3.09Å; R106-S109 PolarHBondContact O-N 2.97Å; R106-E110 WeakPolarHBondContact O-CG 3.23Å; R106-E110 PolarHBondContact O-N 3.3Å
107V98.3Very high96.5Very high12 Ų1251.9 Ų51.97%0.07327%0.268CS..Hα-helixtrans-62.2-42178.2174.40000111.6V14 I62 I64 A103 V104 S109 E110 L111V14-V107 HydrophobicContact CB-CG1 4.44Å; V14-V107 HydrophobicContact CG1-CG1 3.86Å; V14-V107 HydrophobicContact CG2-CG1 3.67Å; I62-V107 HydrophobicContact CD1-CG1 4.26Å; I62-V107 HydrophobicContact CG2-CG1 3.89Å; I62-V107 HydrophobicContact CG2-CG2 4.26Å; I64-V107 HydrophobicContact CD1-CG2 3.92Å; I64-V107 HydrophobicContact CG1-CG2 3.85Å; A103-V107 PolarHBondContact O-N 2.73Å; V104-V107 PolarHBondContact O-N 2.76Å; V104-V107 VanDerWaalsContact O-N 3.13Å; V107-S109 VanDerWaalsContact C-N 3.33Å; V107-S109 PolarHBondContact O-N 2.93Å; V107-E110 PolarHBondContact O-N 2.94Å; V107-L111 HydrophobicContact CG1-CD1 4.03Å; V107-L111 HydrophobicContact CG1-CG 4.46Å; V107-L111 WeakPolarHBondContact O-CB 3.39Å; V107-L111 WeakPolarHBondContact O-CG 3.35Å; V107-L111 PolarHBondContact O-N 2.75Å
108M97.9Very high96.5Very high0 Ų052.3 Ų52.30%027%0.27CS..Hα-helixtrans-62.4-41.3177.5-62.6-49.4132.700111.9V14 I82 A87 I89 V104 R105 R106 L111 N112 L113 V115 L281V14-M108 HydrophobicContact CB-CE 4.35Å; V14-M108 HydrophobicContact CG1-CE 4.41Å; V14-M108 HydrophobicContact CG2-CE 3.95Å; I82-M108 HydrophobicContact CD1-CE 3.87Å; I82-M108 HydrophobicContact CD1-SD 3.45Å; I82-M108 WeakPolarHBondContact CD1-SD 3.2Å; I82-M108 HydrophobicContact CG1-SD 4.29Å; A87-M108 HydrophobicContact CB-CB 4.02Å; A87-M108 HydrophobicContact CB-CG 3.83Å; A87-M108 HydrophobicContact CB-SD 4.25Å; I89-M108 HydrophobicContact CD1-CG 4.17Å; V104-M108 HydrophobicContact CG1-CE 3.84Å; V104-M108 HydrophobicContact CG1-CG 4.28Å; V104-M108 WeakPolarHBondContact O-CG 3.14Å; V104-M108 PolarHBondContact O-N 3.06Å; R105-M108 PolarHBondContact O-N 3.27Å; R106-M108 PolarHBondContact O-N 3.09Å; M108-L111 PolarHBondContact O-N 3.33Å; M108-N112 PolarHBondContact O-N 3.5Å; M108-L113 HydrophobicContact CB-CD1 4.31Å; M108-L113 HydrophobicContact CG-CD1 4.49Å; M108-L113 WeakPolarHBondContact O-CB 3.31Å; M108-L113 PolarHBondContact O-N 2.58Å; M108-L113 HydrophobicContact SD-CD1 3.66Å; M108-V115 HydrophobicContact CB-CG2 3.88Å; M108-L281 HydrophobicContact CE-CD1 3.66Å
109S96.5Very high95.8Very high58 Ų5851 Ų5141%0.40628%0.278SS..Hα-helixtrans-64.5-42.1174.2-63.20000112.7R105 R106 V107 L111 N112R105-S109 PolarHBondContact O-N 2.87Å; R105-S109 PolarHBondContact O-OG 2.82Å; R106-S109 PolarHBondContact O-N 2.97Å; V107-S109 VanDerWaalsContact C-N 3.33Å; V107-S109 PolarHBondContact O-N 2.93Å; S109-L111 PolarHBondContact O-N 3.15Å; S109-N112 WeakPolarHBondContact O-CA 3.42Å; S109-N112 PolarHBondContact O-N 3.27Å
110E96.6Very high94.4Very high143 Ų14354.1 Ų54.167%0.66829%0.291SS*.Hα-helixtrans-65.1-28.2176.6-73.4171.6-170.800112.7R106 V107 N112R106-E110 WeakPolarHBondContact O-CG 3.23Å; R106-E110 PolarHBondContact O-N 3.3Å; V107-E110 PolarHBondContact O-N 2.94Å; E110-N112 PolarHBondContact O-N 3.06Å
111L96.3Very high92.7Very high7 Ų757.9 Ų57.94%0.03731%0.308CS..THydrogen-bonded Turntrans-77.41.7171.2-72.5174.5000113.6V14 I62 V107 M108 S109 L113 V283V14-L111 HydrophobicContact CG2-CD1 4.03Å; I62-L111 HydrophobicContact CD1-CD1 4.03Å; I62-L111 HydrophobicContact CD1-CD2 3.63Å; I62-L111 HydrophobicContact CD1-CG 4.01Å; V107-L111 HydrophobicContact CG1-CD1 4.03Å; V107-L111 HydrophobicContact CG1-CG 4.46Å; V107-L111 WeakPolarHBondContact O-CB 3.39Å; V107-L111 WeakPolarHBondContact O-CG 3.35Å; V107-L111 PolarHBondContact O-N 2.75Å; M108-L111 PolarHBondContact O-N 3.33Å; S109-L111 PolarHBondContact O-N 3.15Å; L111-L113 VanDerWaalsContact C-N 3.3Å; L111-L113 HydrophobicContact CB-CG 4.16Å; L111-L113 PolarHBondContact O-N 3.01Å; L111-V283 HydrophobicContact CD1-CB 4.45Å; L111-V283 HydrophobicContact CD1-CG1 4.29Å; L111-V283 HydrophobicContact CD1-CG2 4.1Å
112N95.6Very high90.5Very high120 Ų12066.5 Ų66.564%0.64235%0.346SS*.THydrogen-bonded Turntrans58.635.7-175.4-59.8-24.3000113.4M108 S109 E110 R285M108-N112 PolarHBondContact O-N 3.5Å; S109-N112 WeakPolarHBondContact O-CA 3.42Å; S109-N112 PolarHBondContact O-N 3.27Å; E110-N112 PolarHBondContact O-N 3.06Å; N112-R285 PolarHBondContact ND2-NH2 3.05Å
113L96.6Very high88.5Confident15 Ų1565.1 Ų65.18%0.07935%0.35CS..  trans-84147.6170.5-55.8-179.1000110.3I82 D85 A87 M108 L111 V115 V283I82-L113 HydrophobicContact CG2-CD1 4.03Å; D85-L113 CarbonylContact O-C 3.58Å; D85-L113 WeakPolarHBondContact O-CA 3.32Å; A87-L113 HydrophobicContact CB-CB 4.31Å; A87-L113 HydrophobicContact CB-CD1 4.02Å; M108-L113 HydrophobicContact CB-CD1 4.31Å; M108-L113 HydrophobicContact CG-CD1 4.49Å; M108-L113 WeakPolarHBondContact O-CB 3.31Å; M108-L113 PolarHBondContact O-N 2.58Å; M108-L113 HydrophobicContact SD-CD1 3.66Å; L111-L113 VanDerWaalsContact C-N 3.3Å; L111-L113 HydrophobicContact CB-CG 4.16Å; L111-L113 PolarHBondContact O-N 3.01Å; L113-V115 PolarHBondContact O-N 2.88Å; L113-V283 HydrophobicContact CD1-CG1 3.96Å; L113-V283 HydrophobicContact CD2-CG1 4.24Å
114T97.3Very high86.5Confident80 Ų8072.8 Ų72.849%0.49139%0.387SS..EExtended strand (participates in β ladder)trans-68.2111.9164.6-59.70000108.1D85 T86 A87D85-T114 PolarHBondContact O-N 2.65Å; T86-T114 CarbonylContact C-O 3.48Å; T86-T114 WeakPolarHBondContact CA-O 3.37Å; A87-T114 PolarHBondContact N-O 3.31Å
115V97.8Very high84.6Confident44 Ų4477.2 Ų77.227%0.26742%0.419SS..EExtended strand (participates in β ladder)trans-91123.4179.6179.40000109.7I89 R105 M108 L113I89-V115 HydrophobicContact CD1-CG1 4.48Å; I89-V115 HydrophobicContact CG1-CG1 3.66Å; R105-V115 HydrophobicContact CG-CG1 4.08Å; M108-V115 HydrophobicContact CB-CG2 3.88Å; L113-V115 PolarHBondContact O-N 2.88Å
116V97.7Very high83.3Confident49 Ų4975.9 Ų75.930%0.29743%0.43SS..EExtended strand (participates in β ladder)trans-114.2128.2172.41800000108T86 A87 L88 I89 T161T86-V116 HydrophobicContact CG2-CG2 4.04Å; A87-V116 PolarHBondContact O-N 3.06Å; L88-V116 CarbonylContact C-O 3.32Å; L88-V116 WeakPolarHBondContact CA-O 3.5Å; L88-V116 HydrophobicContact CD1-CB 4.36Å; L88-V116 HydrophobicContact CD1-CG1 4.09Å; I89-V116 PolarHBondContact N-O 3.25Å; V116-T161 HydrophobicContact CB-CG2 4.05Å; V116-T161 HydrophobicContact CG1-CG2 4.13Å; V116-T161 HydrophobicContact CG2-CG2 4.06Å
117E95.3Very high82.7Confident86 Ų8668.9 Ų68.940%0.40241%0.405SS..EExtended strand (participates in β ladder)trans-96.2132.3179.1-64.8-66.415600110.5I89 R105 G119I89-E117 VanDerWaalsContact CB-OE2 3.3Å; I89-E117 WeakPolarHBondContact CB-OE2 3.35Å; I89-E117 WeakPolarHBondContact CG1-OE1 3.39Å; I89-E117 VanDerWaalsContact CG2-OE2 3.24Å; I89-E117 WeakPolarHBondContact CG2-OE2 3.42Å; R105-E117 WeakPolarHBondContact CD-OE1 3.43Å; R105-E117 WeakPolarHBondContact CG-OE1 3.35Å; E117-G119 PolarHBondContact O-N 2.91Å
118M93.4Very high82.5Confident10 Ų1068.4 Ų68.45%0.04940%0.401CS..  trans-68.6102.2166.4-175.5166.8-64.800108.7L88 I89 R91 A128 L130 V157L88-M118 HydrophobicContact CD1-CB 4.42Å; L88-M118 HydrophobicContact CD2-CE 4.15Å; I89-M118 VanDerWaalsContact O-CB 3.31Å; I89-M118 WeakPolarHBondContact O-CB 3.36Å; I89-M118 PolarHBondContact O-N 2.74Å; R91-M118 HydrophobicContact CB-CB 4.09Å; R91-M118 HydrophobicContact CB-CG 3.84Å; R91-M118 HydrophobicContact CB-SD 3.77Å; M118-A128 HydrophobicContact CG-CB 3.77Å; M118-A128 HydrophobicContact SD-CB 3.74Å; M118-L130 HydrophobicContact CE-CB 3.52Å; M118-L130 HydrophobicContact CE-CD1 4.16Å; M118-L130 HydrophobicContact CE-CG 4.27Å; M118-L130 HydrophobicContact SD-CB 3.83Å; M118-V157 HydrophobicContact CB-CG1 4.43Å; M118-V157 HydrophobicContact CE-CB 4.03Å; M118-V157 HydrophobicContact CE-CG1 3.92Å; M118-V157 HydrophobicContact CG-CG1 4.18Å
119G78.8Confident82.5Confident41 Ų4168.9 Ų68.942%0.42341%0.405SS..  trans-58.4156.5-168.400000115.6E117 E121E117-G119 PolarHBondContact O-N 2.91Å; G119-E121 VanDerWaalsContact C-N 3.33Å; G119-E121 PolarHBondContact O-N 2.79Å
120D65.3Low82.5Confident123 Ų12366.1 Ų66.166%0.65839%0.385SS*.  trans-79.378.2169.9-73.6-42000110.1R91 Q122R91-D120 IonicContact NE-OD1 2.9Å; R91-D120 PolarHBondContact NE-OD1 2.65Å; D120-Q122 PolarHBondContact O-N 3.37Å
121E59.9Low82.6Confident82 Ų8259.3 Ų59.338%0.38335%0.354SS..  trans-67.2101.7170.4-70.5-168.8165.600109.1G119 G123 R153G119-E121 VanDerWaalsContact C-N 3.33Å; G119-E121 PolarHBondContact O-N 2.79Å; E121-G123 PolarHBondContact O-N 2.8Å; E121-R153 IonicContact OE1-CZ 2.72Å; E121-R153 IonicContact OE1-NE 3.75Å; E121-R153 PolarHBondContact OE1-NE 2.84Å; E121-R153 IonicContact OE1-NH2 3.85Å; E121-R153 PolarHBondContact OE1-NH2 2.88Å; E121-R153 IonicContact OE2-CZ 2.94Å; E121-R153 IonicContact OE2-NE 3.79Å; E121-R153 PolarHBondContact OE2-NE 2.9Å; E121-R153 IonicContact OE2-NH2 2.8Å
122Q48.8Very low82.7Confident194 Ų19459 Ų5991%0.90735%0.352SS*.  trans-79.1107167.7-69.7-174.97.200108.6D120D120-Q122 PolarHBondContact O-N 3.37Å
123G55.4Low82.8Confident48 Ų4853.4 Ų53.450%0.49532%0.322SS..SBendtrans-172.5171.3174.100000110.8E121 S125E121-G123 PolarHBondContact O-N 2.8Å; G123-S125 PolarHBondContact O-N 2.85Å
124D54.2Low82.9Confident185 Ų18552.7 Ų52.799%0.98932%0.319SS*.THydrogen-bonded Turntrans-64.4-6.2-175.3-66.3-26.9000114.4
125S59.5Low83Confident95 Ų9549.2 Ų49.266%0.66430%0.297SS*.THydrogen-bonded Turntrans-89.20.6-175.358.10000115.3G123 G127G123-S125 PolarHBondContact O-N 2.85Å; S125-G127 PolarHBondContact O-N 3.22Å
126G69.6Low83Confident54 Ų5447.3 Ų47.356%0.55729%0.285SS*.  trans77-2.5179.600000115.5R91R91-G126 PolarHBondContact NH1-O 2.92Å
127G87.3Confident83.1Confident1 Ų147.1 Ų47.11%0.0128%0.281CS..  trans71.4175.2177.200000114.6S125 N151S125-G127 PolarHBondContact O-N 3.22Å; G127-N151 PolarHBondContact O-ND2 2.91Å
128A93.8Very high83.2Confident1 Ų143.1 Ų43.11%0.00826%0.262CS..  trans-65.5135.8174.300000111.1R91 M118 R153 V157R91-A128 WeakPolarHBondContact CD-O 3.32Å; R91-A128 PolarHBondContact NH1-O 2.82Å; M118-A128 HydrophobicContact CG-CB 3.77Å; M118-A128 HydrophobicContact SD-CB 3.74Å; A128-R153 HydrophobicContact CB-CB 4.32Å; A128-R153 HydrophobicContact CB-CG 3.86Å; A128-V157 HydrophobicContact CB-CG2 4.19Å
129T96.3Very high83.3Confident11 Ų1143.3 Ų43.37%0.06727%0.266CS..  trans-131.4135.5165.767.50000109.5R91 F93 H149 T150 N151R91-T129 WeakPolarHBondContact O-CA 3.35Å; F93-T129 HydrophobicContact CD2-CG2 4.38Å; T129-H149 WeakPolarHBondContact CB-O 3.36Å; T129-H149 PolarHBondContact OG1-O 3.37Å; T129-T150 WeakPolarHBondContact O-CA 3.39Å; T129-N151 PolarHBondContact N-OD1 3.49Å; T129-N151 VanDerWaalsContact N-OD1 3.09Å; T129-N151 PolarHBondContact O-N 3.24Å; T129-N151 PolarHBondContact O-OD1 3.06Å; T129-N151 PolarHBondContact OG1-N 2.85Å
130L98.1Very high84.1Confident0 Ų045.7 Ų45.70%026%0.263CS..  trans-151.9137.8176.4-174.7144.2000108.6V81 T90 R91 M118 V135 V144 T150 G154 L158V81-L130 HydrophobicContact CG2-CD2 3.99Å; T90-L130 VanDerWaalsContact CB-O 3.28Å; T90-L130 WeakPolarHBondContact CB-O 3.17Å; T90-L130 HydrophobicContact CG2-CD2 3.42Å; T90-L130 VanDerWaalsContact CG2-CD2 3.42Å; T90-L130 PolarHBondContact OG1-O 3.48Å; R91-L130 CarbonylContact C-O 3.5Å; R91-L130 PolarHBondContact O-N 3.34Å; R91-L130 VanDerWaalsContact O-N 3.15Å; M118-L130 HydrophobicContact CE-CB 3.52Å; M118-L130 HydrophobicContact CE-CD1 4.16Å; M118-L130 HydrophobicContact CE-CG 4.27Å; M118-L130 HydrophobicContact SD-CB 3.83Å; L130-V135 HydrophobicContact CD1-CG2 4.09Å; L130-V135 HydrophobicContact CD2-CG2 3.89Å; L130-V135 HydrophobicContact CG-CG2 4.21Å; L130-V144 HydrophobicContact CD1-CG1 4.38Å; L130-T150 HydrophobicContact CB-CG2 4.17Å; L130-T150 HydrophobicContact CD1-CG2 4.21Å; L130-T150 HydrophobicContact CG-CG2 3.95Å; L130-G154 WeakPolarHBondContact CD1-O 3.13Å; L130-L158 HydrophobicContact CD1-CB 4.04Å; L130-L158 HydrophobicContact CD1-CD1 3.77Å
131E98Very high85.6Confident0 Ų040.1 Ų40.10%023%0.233CC..  trans-119.8133.5167.1-70.3-176.2162.900108.8D78 P92 R97 S133 D134 H149 T150 R177D78-E131 HydrophobicContact CB-CB 3.96Å; D78-E131 HydrophobicContact CB-CG 4.15Å; D78-E131 WeakPolarHBondContact O-CA 3.31Å; P92-E131 HydrophobicContact CB-CG 4.17Å; R97-E131 IonicContact NH1-OE1 3.99Å; R97-E131 PolarHBondContact NH1-OE1 3.48Å; R97-E131 VanDerWaalsContact NH1-OE1 3.13Å; E131-S133 PolarHBondContact O-N 3.37Å; E131-D134 WeakPolarHBondContact O-CB 3.06Å; E131-D134 PolarHBondContact O-N 2.87Å; E131-H149 HydrophobicContact CG-CB 4.24Å; E131-H149 IonicContact OE1-ND1 2.86Å; E131-H149 VanDerWaalsContact OE2-CB 3.3Å; E131-H149 WeakPolarHBondContact OE2-CB 3.29Å; E131-H149 IonicContact OE2-CG 2.8Å; E131-H149 IonicContact OE2-ND1 3.18Å; E131-H149 PolarHBondContact OE2-ND1 2.96Å; E131-T150 PolarHBondContact N-OG1 2.8Å; E131-R177 IonicContact OE1-NH2 2.73Å; E131-R177 IonicContact OE2-CZ 3.5Å; E131-R177 IonicContact OE2-NE 3.07Å; E131-R177 PolarHBondContact OE2-NE 2.85Å; E131-R177 IonicContact OE2-NH2 3.44Å; E131-R177 PolarHBondContact OE2-NH2 3.34Å
132G98.5Very high87.5Confident1 Ų136.2 Ų36.21%0.0122%0.215CC..G310 helixtrans-57.4-22.7-176.900000114.6E77 D78 D134 V135 K179E77-G132 WeakPolarHBondContact O-CA 3.32Å; D78-G132 PolarHBondContact O-N 3.42Å; D78-G132 VanDerWaalsContact O-N 3.08Å; G132-D134 PolarHBondContact O-N 2.86Å; G132-V135 PolarHBondContact O-N 2.75Å; G132-K179 WeakPolarHBondContact O-CE 3.25Å; G132-K179 PolarHBondContact O-NZ 2.7Å
133S97.9Very high89.9Confident2 Ų227 Ų271%0.01417%0.171CC..G310 helixtrans-65.4-1817152.40000114.5D78 E131 V135 R177 K179D78-S133 WeakPolarHBondContact OD1-CB 3.33Å; D78-S133 PolarHBondContact OD1-N 2.98Å; D78-S133 PolarHBondContact OD1-OG 3.04Å; E131-S133 PolarHBondContact O-N 3.37Å; S133-V135 VanDerWaalsContact C-N 3.32Å; S133-R177 WeakPolarHBondContact OG-CD 3.44Å; S133-R177 VanDerWaalsContact OG-CG 3.22Å; S133-R177 WeakPolarHBondContact OG-CG 3.26Å; S133-R177 PolarHBondContact OG-NE 3.4Å; S133-K179 WeakPolarHBondContact O-CB 3.45Å; S133-K179 WeakPolarHBondContact O-CE 3.47Å; S133-K179 WeakPolarHBondContact O-CG 3.45Å; S133-K179 PolarHBondContact O-N 2.89Å
134D98.7Very high92Very high0 Ų024.7 Ų24.70%015%0.148CC..G310 helixtrans-85.3-3.6169.5-86.9-47.9000113.3E131 G132 V144 G145 S147 T150 R177 L178E131-D134 WeakPolarHBondContact O-CB 3.06Å; E131-D134 PolarHBondContact O-N 2.87Å; G132-D134 PolarHBondContact O-N 2.86Å; D134-V144 CarbonylContact O-C 3.46Å; D134-V144 WeakPolarHBondContact O-CA 3.17Å; D134-G145 PolarHBondContact O-N 3.41Å; D134-S147 WeakPolarHBondContact OD2-CB 3.31Å; D134-S147 PolarHBondContact OD2-OG 3.12Å; D134-T150 HydrophobicContact CB-CG2 4.23Å; D134-T150 WeakPolarHBondContact CB-OG1 3.45Å; D134-T150 VanDerWaalsContact OD2-CB 3.25Å; D134-T150 WeakPolarHBondContact OD2-CB 3.27Å; D134-T150 PolarHBondContact OD2-OG1 2.88Å; D134-R177 WeakPolarHBondContact OD1-CA 3.28Å; D134-R177 WeakPolarHBondContact OD1-CB 3.15Å; D134-R177 WeakPolarHBondContact OD2-CG 3.36Å; D134-L178 WeakPolarHBondContact O-CD2 3.35Å; D134-L178 PolarHBondContact OD1-N 2.92Å
135V98.8Very high94.1Very high6 Ų615.9 Ų15.94%0.03610%0.101CC..EExtended strand (participates in β ladder)trans-107.5116-174.5-177.60000111V81 L130 G132 S133 F142 V144 L158 K179V81-V135 HydrophobicContact CG1-CG1 4.08Å; V81-V135 HydrophobicContact CG2-CB 4.18Å; V81-V135 HydrophobicContact CG2-CG1 4.27Å; V81-V135 HydrophobicContact CG2-CG2 3.98Å; L130-V135 HydrophobicContact CD1-CG2 4.09Å; L130-V135 HydrophobicContact CD2-CG2 3.89Å; L130-V135 HydrophobicContact CG-CG2 4.21Å; G132-V135 PolarHBondContact O-N 2.75Å; S133-V135 VanDerWaalsContact C-N 3.32Å; V135-F142 HydrophobicContact CG1-CD1 3.68Å; V135-F142 HydrophobicContact CG1-CE1 4.22Å; V135-V144 HydrophobicContact CG2-CG1 4.46Å; V135-V144 HydrophobicContact CG2-CG2 4.43Å; V135-L158 HydrophobicContact CB-CD1 4.35Å; V135-L158 HydrophobicContact CG1-CD1 3.73Å; V135-L158 HydrophobicContact CG2-CD1 3.62Å; V135-K179 VanDerWaalsContact O-CD 3.31Å; V135-K179 WeakPolarHBondContact O-CD 3.18Å; V135-K179 WeakPolarHBondContact O-CE 3.22Å; V135-K179 PolarHBondContact O-NZ 3.27Å
136L98.8Very high95.9Very high4 Ų413.4 Ų13.42%0.0218%0.08CC..EExtended strand (participates in β ladder)trans-106.3108.1171.7-178.270.6000109.7F142 F143 L178 M184 M205L136-F142 WeakPolarHBondContact O-CA 3.38Å; L136-F143 HydrophobicContact CB-CB 4.36Å; L136-F143 PolarHBondContact N-O 3.39Å; L136-F143 PolarHBondContact O-N 3.27Å; L136-L178 HydrophobicContact CB-CD2 3.91Å; L136-M184 HydrophobicContact CD1-CG 3.91Å; L136-M184 HydrophobicContact CD1-SD 4.22Å; L136-M184 HydrophobicContact CG-SD 4.46Å; L136-M205 HydrophobicContact CD2-CE 3.64Å
137F98.4Very high97.2Very high46 Ų4611.9 Ų11.920%0.2026%0.06CC..EExtended strand (participates in β ladder)trans-92.6121.2169.9-179.3-122.9000110.3Y7 Q83 G139 E141 F142 F165 M184Y7-F137 HydrophobicContact CD2-CD1 4.34Å; Y7-F137 HydrophobicContact CD2-CE1 4.27Å; Y7-F137 AromaticContact CE2-CD1 3.93Å; Y7-F137 HydrophobicContact CE2-CD1 3.93Å; Y7-F137 HydrophobicContact CE2-CE1 4.32Å; Y7-F137 WeakPolarHBondContact CE2-O 3.14Å; Y7-F137 PolarHBondContact OH-O 2.96Å; Q83-F137 HydrophobicContact CG-CE1 4.12Å; Q83-F137 HydrophobicContact CG-CE2 4.36Å; Q83-F137 HydrophobicContact CG-CZ 3.96Å; F137-G139 VanDerWaalsContact CZ-CA 3.42Å; F137-E141 VanDerWaalsContact CD2-O 3.31Å; F137-E141 WeakPolarHBondContact CD2-O 3.24Å; F137-F142 HydrophobicContact CB-CD1 3.76Å; F137-F142 HydrophobicContact CB-CE1 3.59Å; F137-F142 HydrophobicContact CB-CZ 4.38Å; F137-F142 AromaticContact CD2-CD1 3.76Å; F137-F142 HydrophobicContact CD2-CD1 3.76Å; F137-F142 AromaticContact CD2-CD2 4Å; F137-F142 HydrophobicContact CD2-CD2 4Å; F137-F142 AromaticContact CD2-CE1 3.49Å; F137-F142 HydrophobicContact CD2-CE1 3.49Å; F137-F142 VanDerWaalsContact CD2-CE1 3.49Å; F137-F142 AromaticContact CD2-CE2 3.72Å; F137-F142 HydrophobicContact CD2-CE2 3.72Å; F137-F142 HydrophobicContact CD2-CG 4.02Å; F137-F142 AromaticContact CD2-CZ 3.47Å; F137-F142 HydrophobicContact CD2-CZ 3.47Å; F137-F142 VanDerWaalsContact CD2-CZ 3.47Å; F137-F142 HydrophobicContact CE2-CD2 4.41Å; F137-F142 HydrophobicContact CE2-CE1 4.4Å; F137-F142 AromaticContact CE2-CE2 3.93Å; F137-F142 HydrophobicContact CE2-CE2 3.93Å; F137-F142 AromaticContact CE2-CZ 3.94Å; F137-F142 HydrophobicContact CE2-CZ 3.94Å; F137-F142 HydrophobicContact CG-CD1 4.15Å; F137-F142 AromaticContact CG-CE1 3.73Å; F137-F142 HydrophobicContact CG-CE1 3.73Å; F137-F142 HydrophobicContact CG-CZ 4.02Å; F137-F165 AromaticContact CE2-CD1 3.64Å; F137-F165 HydrophobicContact CE2-CD1 3.64Å; F137-F165 AromaticContact CE2-CE1 3.73Å; F137-F165 HydrophobicContact CE2-CE1 3.73Å; F137-F165 HydrophobicContact CE2-CG 4.12Å; F137-F165 HydrophobicContact CE2-CZ 4.29Å; F137-F165 HydrophobicContact CZ-CD1 4.14Å; F137-F165 AromaticContact CZ-CE1 3.72Å; F137-F165 HydrophobicContact CZ-CE1 3.72Å; F137-F165 HydrophobicContact CZ-CZ 4.05Å; F137-M184 WeakPolarHBondContact O-CG 3.35Å
138T97.7Very high97.5Very high1 Ų115 Ų151%0.0068%0.082CC..  trans-88.7-7.4-175.369.30000113.6R140 E141 F143 M184 Y213T138-R140 VanDerWaalsContact C-N 3.3Å; T138-R140 PolarHBondContact OG1-N 3.13Å; T138-R140 VanDerWaalsContact OG1-N 3.13Å; T138-E141 HydrophobicContact CG2-CG 4.29Å; T138-E141 PolarHBondContact N-O 3.31Å; T138-E141 PolarHBondContact OG1-N 3.38Å; T138-E141 VanDerWaalsContact OG1-N 3.11Å; T138-E141 PolarHBondContact OG1-O 2.94Å; T138-F143 HydrophobicContact CG2-CD2 3.94Å; T138-F143 HydrophobicContact CG2-CE2 3.96Å; T138-M184 HydrophobicContact CG2-SD 4.01Å; T138-Y213 WeakPolarHBondContact CB-OH 3.16Å; T138-Y213 HydrophobicContact CG2-CE1 4.04Å; T138-Y213 PolarHBondContact OG1-OH 2.98Å
139G95.2Very high97.6Very high14 Ų1416.2 Ų16.214%0.1449%0.087CC..SBendtrans90.9-11.3-164.800000113.8Y7 F137Y7-G139 VanDerWaalsContact CD2-CA 3.41Å; F137-G139 VanDerWaalsContact CZ-CA 3.42Å
140R95.8Very high97.6Very high92 Ų9215.7 Ų15.735%0.3478%0.084SC..SBendtrans-125.7-32.1-179.5-57.4178.2-173.9-89.10.3113T138 F165 D188T138-R140 VanDerWaalsContact C-N 3.3Å; T138-R140 PolarHBondContact OG1-N 3.13Å; T138-R140 VanDerWaalsContact OG1-N 3.13Å; R140-F165 WeakPolarHBondContact O-CD1 3.38Å; R140-D188 IonicContact CZ-OD1 2.78Å; R140-D188 VanDerWaalsContact CZ-OD1 3.25Å; R140-D188 IonicContact CZ-OD2 3.34Å; R140-D188 IonicContact NE-OD1 2.91Å; R140-D188 PolarHBondContact NE-OD1 3.18Å; R140-D188 VanDerWaalsContact NH2-CG 3.26Å; R140-D188 IonicContact NH2-OD1 3.51Å; R140-D188 PolarHBondContact NH2-OD1 3.02Å; R140-D188 IonicContact NH2-OD2 3.25Å; R140-D188 PolarHBondContact NH2-OD2 3.09Å
141E98.1Very high97.6Very high5 Ų517.9 Ų17.92%0.02310%0.096CC..EExtended strand (participates in β ladder)trans-156.6172.8-177.869.9-164128.800110.4F137 T138 F143 A166 T209 H211 Y213F137-E141 VanDerWaalsContact CD2-O 3.31Å; F137-E141 WeakPolarHBondContact CD2-O 3.24Å; T138-E141 HydrophobicContact CG2-CG 4.29Å; T138-E141 PolarHBondContact N-O 3.31Å; T138-E141 PolarHBondContact OG1-N 3.38Å; T138-E141 VanDerWaalsContact OG1-N 3.11Å; T138-E141 PolarHBondContact OG1-O 2.94Å; E141-F143 HydrophobicContact CG-CD2 4.44Å; E141-F143 HydrophobicContact CG-CE2 3.97Å; E141-F143 HydrophobicContact CG-CZ 4.38Å; E141-A166 WeakPolarHBondContact CA-O 3.38Å; E141-A166 HydrophobicContact CB-CB 4.1Å; E141-A166 WeakPolarHBondContact CB-O 3.43Å; E141-T209 VanDerWaalsContact OE1-CB 3.3Å; E141-T209 WeakPolarHBondContact OE1-CB 3.35Å; E141-T209 PolarHBondContact OE1-OG1 3Å; E141-T209 PolarHBondContact OE2-OG1 2.81Å; E141-H211 IonicContact OE1-CD2 3.87Å; E141-H211 PolarHBondContact OE1-CD2 3.09Å; E141-Y213 WeakPolarHBondContact OE1-CE2 3.41Å; E141-Y213 PolarHBondContact OE1-OH 2.74Å
142F98.8Very high97.5Very high1 Ų126.3 Ų26.30%0.00413%0.128CC..EExtended strand (participates in β ladder)trans-110.5133.2172.4-65-90.9000110.9V81 Q83 V135 L136 F137 L158 F162 F165 A166 V167 S168V81-F142 HydrophobicContact CG1-CE1 4.13Å; Q83-F142 HydrophobicContact CB-CZ 4.05Å; Q83-F142 HydrophobicContact CG-CZ 4.08Å; V135-F142 HydrophobicContact CG1-CD1 3.68Å; V135-F142 HydrophobicContact CG1-CE1 4.22Å; L136-F142 WeakPolarHBondContact O-CA 3.38Å; F137-F142 HydrophobicContact CB-CD1 3.76Å; F137-F142 HydrophobicContact CB-CE1 3.59Å; F137-F142 HydrophobicContact CB-CZ 4.38Å; F137-F142 AromaticContact CD2-CD1 3.76Å; F137-F142 HydrophobicContact CD2-CD1 3.76Å; F137-F142 AromaticContact CD2-CD2 4Å; F137-F142 HydrophobicContact CD2-CD2 4Å; F137-F142 AromaticContact CD2-CE1 3.49Å; F137-F142 HydrophobicContact CD2-CE1 3.49Å; F137-F142 VanDerWaalsContact CD2-CE1 3.49Å; F137-F142 AromaticContact CD2-CE2 3.72Å; F137-F142 HydrophobicContact CD2-CE2 3.72Å; F137-F142 HydrophobicContact CD2-CG 4.02Å; F137-F142 AromaticContact CD2-CZ 3.47Å; F137-F142 HydrophobicContact CD2-CZ 3.47Å; F137-F142 VanDerWaalsContact CD2-CZ 3.47Å; F137-F142 HydrophobicContact CE2-CD2 4.41Å; F137-F142 HydrophobicContact CE2-CE1 4.4Å; F137-F142 AromaticContact CE2-CE2 3.93Å; F137-F142 HydrophobicContact CE2-CE2 3.93Å; F137-F142 AromaticContact CE2-CZ 3.94Å; F137-F142 HydrophobicContact CE2-CZ 3.94Å; F137-F142 HydrophobicContact CG-CD1 4.15Å; F137-F142 AromaticContact CG-CE1 3.73Å; F137-F142 HydrophobicContact CG-CE1 3.73Å; F137-F142 HydrophobicContact CG-CZ 4.02Å; F142-L158 HydrophobicContact CB-CD2 4.1Å; F142-L158 HydrophobicContact CD1-CD2 4.11Å; F142-L158 HydrophobicContact CD2-CD2 4.13Å; F142-L158 HydrophobicContact CG-CD2 3.86Å; F142-F162 HydrophobicContact CE2-CB 3.72Å; F142-F162 HydrophobicContact CE2-CD2 4.23Å; F142-F162 HydrophobicContact CE2-CG 4.07Å; F142-F162 HydrophobicContact CZ-CB 4.17Å; F142-F162 AromaticContact CZ-CD2 3.95Å; F142-F162 HydrophobicContact CZ-CD2 3.95Å; F142-F162 AromaticContact CZ-CG 3.99Å; F142-F162 HydrophobicContact CZ-CG 3.99Å; F142-F165 HydrophobicContact CD2-CB 3.64Å; F142-F165 HydrophobicContact CD2-CG 4.27Å; F142-F165 HydrophobicContact CE2-CB 3.61Å; F142-F165 AromaticContact CE2-CD2 3.91Å; F142-F165 HydrophobicContact CE2-CD2 3.91Å; F142-F165 AromaticContact CE2-CG 3.79Å; F142-F165 HydrophobicContact CE2-CG 3.79Å; F142-A166 PolarHBondContact N-O 3.34Å; F142-V167 HydrophobicContact CB-CG1 4.32Å; F142-V167 HydrophobicContact CB-CG2 4.13Å; F142-V167 HydrophobicContact CD2-CG2 4.16Å; F142-V167 WeakPolarHBondContact O-CA 3.35Å; F142-S168 PolarHBondContact O-N 3.03Å
143F98.8Very high97.4Very high0 Ų030.5 Ų30.50%014%0.143CC..EExtended strand (participates in β ladder)trans-101.9129.3157.7-65.5-79.5000109.3L136 T138 E141 S168 V170 L178 M205 L208 T209 Y213L136-F143 HydrophobicContact CB-CB 4.36Å; L136-F143 PolarHBondContact N-O 3.39Å; L136-F143 PolarHBondContact O-N 3.27Å; T138-F143 HydrophobicContact CG2-CD2 3.94Å; T138-F143 HydrophobicContact CG2-CE2 3.96Å; E141-F143 HydrophobicContact CG-CD2 4.44Å; E141-F143 HydrophobicContact CG-CE2 3.97Å; E141-F143 HydrophobicContact CG-CZ 4.38Å; F143-S168 CarbonylContact C-O 3.54Å; F143-S168 VanDerWaalsContact CA-O 3.31Å; F143-S168 WeakPolarHBondContact CA-O 3.31Å; F143-V170 HydrophobicContact CD1-CG1 4.29Å; F143-L178 HydrophobicContact CB-CD2 4.08Å; F143-M205 HydrophobicContact CB-CE 4.37Å; F143-M205 HydrophobicContact CD1-CB 4.16Å; F143-M205 HydrophobicContact CD1-CE 4.44Å; F143-M205 HydrophobicContact CD1-CG 3.77Å; F143-M205 HydrophobicContact CD2-CE 3.58Å; F143-M205 HydrophobicContact CE1-CB 3.76Å; F143-M205 HydrophobicContact CE1-CG 3.92Å; F143-M205 HydrophobicContact CE2-CB 4.47Å; F143-M205 HydrophobicContact CE2-CE 3.87Å; F143-M205 HydrophobicContact CG-CE 3.87Å; F143-M205 HydrophobicContact CG-CG 4.1Å; F143-M205 HydrophobicContact CZ-CB 3.92Å; F143-M205 HydrophobicContact CZ-CE 4.41Å; F143-M205 HydrophobicContact CZ-CG 4.36Å; F143-L208 HydrophobicContact CE1-CB 4.29Å; F143-T209 HydrophobicContact CZ-CG2 4.11Å; F143-Y213 HydrophobicContact CE2-CE2 4.38Å
144V98.9Very high97.3Very high0 Ų030.4 Ų30.40%014%0.143CC..EExtended strand (participates in β ladder)trans-116.2119.1178.7-175.20000109.6L130 D134 V135 I146 T150 A155 L158 V167 S168 T169 V170L130-V144 HydrophobicContact CD1-CG1 4.38Å; D134-V144 CarbonylContact O-C 3.46Å; D134-V144 WeakPolarHBondContact O-CA 3.17Å; V135-V144 HydrophobicContact CG2-CG1 4.46Å; V135-V144 HydrophobicContact CG2-CG2 4.43Å; V144-I146 PolarHBondContact O-N 3.41Å; V144-T150 HydrophobicContact CG1-CG2 3.76Å; V144-A155 HydrophobicContact CB-CB 4.09Å; V144-A155 HydrophobicContact CG1-CB 3.79Å; V144-A155 HydrophobicContact CG2-CB 4.41Å; V144-L158 HydrophobicContact CG2-CD1 4.19Å; V144-L158 HydrophobicContact CG2-CD2 4.32Å; V144-V167 HydrophobicContact CG2-CG1 3.74Å; V144-S168 PolarHBondContact N-O 3.25Å; V144-T169 CarbonylContact O-C 3.59Å; V144-T169 VanDerWaalsContact O-CA 3.25Å; V144-T169 WeakPolarHBondContact O-CA 3.48Å; V144-V170 PolarHBondContact O-N 3.19Å
145G98.6Very high97.3Very high0 Ų030.6 Ų30.60%014%0.144CC..EExtended strand (participates in β ladder)trans-67126.3172.600000111.2D134 T150 V170D134-G145 PolarHBondContact O-N 3.41Å; G145-T150 WeakPolarHBondContact O-CB 3.35Å; G145-T150 WeakPolarHBondContact O-CG2 3.37Å; G145-V170 CarbonylContact C-O 3.54Å; G145-V170 WeakPolarHBondContact CA-O 3.45Å
146I98.1Very high97.2Very high43 Ų4334.6 Ų34.622%0.22116%0.163CC..EExtended strand (participates in β ladder)trans-91.3107.3166.2-54.4-56.6000107.2V144 R152 A155 T169 V170 V172V144-I146 PolarHBondContact O-N 3.41Å; I146-R152 HydrophobicContact CD1-CG 3.94Å; I146-R152 HydrophobicContact CG1-CG 4.37Å; I146-A155 HydrophobicContact CD1-CB 4.42Å; I146-T169 HydrophobicContact CD1-CG2 3.9Å; I146-T169 HydrophobicContact CG1-CG2 4.27Å; I146-V170 PolarHBondContact N-O 3.17Å; I146-V172 PolarHBondContact O-N 3.44Å
147S96.3Very high97.2Very high21 Ų2135.5 Ų35.515%0.14717%0.168CC..SBendtrans-129.9-173.5-169.876.40000110.7D134 H149 T150D134-S147 WeakPolarHBondContact OD2-CB 3.31Å; D134-S147 PolarHBondContact OD2-OG 3.12Å; S147-H149 PolarHBondContact O-N 2.93Å; S147-H149 PolarHBondContact OG-N 3.07Å; S147-T150 PolarHBondContact N-O 2.93Å; S147-T150 PolarHBondContact OG-N 3.04Å
148S94.5Very high97.2Very high67 Ų6733.3 Ų33.347%0.46916%0.159SC..SBendtrans-66.8-13.2167.445.20000113.5
149H94.6Very high97.2Very high26 Ų2634.9 Ų34.912%0.1217%0.171CC..SBendtrans-106.1-33.7-175.7-57.3-84.1000112.5F93 T129 E131 S147F93-H149 HydrophobicContact CB-CB 4.45Å; T129-H149 WeakPolarHBondContact CB-O 3.36Å; T129-H149 PolarHBondContact OG1-O 3.37Å; E131-H149 HydrophobicContact CG-CB 4.24Å; E131-H149 IonicContact OE1-ND1 2.86Å; E131-H149 VanDerWaalsContact OE2-CB 3.3Å; E131-H149 WeakPolarHBondContact OE2-CB 3.29Å; E131-H149 IonicContact OE2-CG 2.8Å; E131-H149 IonicContact OE2-ND1 3.18Å; E131-H149 PolarHBondContact OE2-ND1 2.96Å; S147-H149 PolarHBondContact O-N 2.93Å; S147-H149 PolarHBondContact OG-N 3.07Å
150T97.4Very high97.3Very high1 Ų138.5 Ų38.51%0.00619%0.187CC..  trans-119.7122.8-175-59.30000110.6T129 L130 E131 D134 V144 G145 S147T129-T150 WeakPolarHBondContact O-CA 3.39Å; L130-T150 HydrophobicContact CB-CG2 4.17Å; L130-T150 HydrophobicContact CD1-CG2 4.21Å; L130-T150 HydrophobicContact CG-CG2 3.95Å; E131-T150 PolarHBondContact N-OG1 2.8Å; D134-T150 HydrophobicContact CB-CG2 4.23Å; D134-T150 WeakPolarHBondContact CB-OG1 3.45Å; D134-T150 VanDerWaalsContact OD2-CB 3.25Å; D134-T150 WeakPolarHBondContact OD2-CB 3.27Å; D134-T150 PolarHBondContact OD2-OG1 2.88Å; V144-T150 HydrophobicContact CG1-CG2 3.76Å; G145-T150 WeakPolarHBondContact O-CB 3.35Å; G145-T150 WeakPolarHBondContact O-CG2 3.37Å; S147-T150 PolarHBondContact N-O 2.93Å; S147-T150 PolarHBondContact OG-N 3.04Å
151N96.9Very high97.5Very high46 Ų4635.5 Ų35.525%0.24618%0.179CC..  trans-103.5169.2178.872.714.1000111.9G127 T129 R153 G154 A155G127-N151 PolarHBondContact O-ND2 2.91Å; T129-N151 PolarHBondContact N-OD1 3.49Å; T129-N151 VanDerWaalsContact N-OD1 3.09Å; T129-N151 PolarHBondContact O-N 3.24Å; T129-N151 PolarHBondContact O-OD1 3.06Å; T129-N151 PolarHBondContact OG1-N 2.85Å; N151-R153 VanDerWaalsContact C-N 3.25Å; N151-R153 PolarHBondContact O-N 3.06Å; N151-R153 PolarHBondContact OD1-N 3.49Å; N151-G154 PolarHBondContact O-N 3.4Å; N151-G154 VanDerWaalsContact O-N 3.14Å; N151-G154 PolarHBondContact OD1-N 2.98Å; N151-A155 PolarHBondContact O-N 3.39Å
152R96.5Very high97.4Very high177 Ų17735.5 Ų35.567%0.66818%0.179SC*.Hα-helixtrans-60.2-35.8-179.4-71.6-174.3177-177.7-1.4112.7I146 G154 A155 E156I146-R152 HydrophobicContact CD1-CG 3.94Å; I146-R152 HydrophobicContact CG1-CG 4.37Å; R152-G154 VanDerWaalsContact C-N 3.31Å; R152-G154 PolarHBondContact O-N 3.18Å; R152-A155 WeakPolarHBondContact O-CB 3.46Å; R152-A155 PolarHBondContact O-N 3.29Å; R152-A155 VanDerWaalsContact O-N 3.13Å; R152-E156 WeakPolarHBondContact O-CG 3.36Å; R152-E156 PolarHBondContact O-N 2.58Å
153R95.8Very high97.3Very high89 Ų8944.9 Ų44.934%0.33622%0.215SC..Hα-helixtrans-63.6-38.1177.4-171.462.3178.2153.57.2111.7E121 A128 N151 E156 V157E121-R153 IonicContact OE1-CZ 2.72Å; E121-R153 IonicContact OE1-NE 3.75Å; E121-R153 PolarHBondContact OE1-NE 2.84Å; E121-R153 IonicContact OE1-NH2 3.85Å; E121-R153 PolarHBondContact OE1-NH2 2.88Å; E121-R153 IonicContact OE2-CZ 2.94Å; E121-R153 IonicContact OE2-NE 3.79Å; E121-R153 PolarHBondContact OE2-NE 2.9Å; E121-R153 IonicContact OE2-NH2 2.8Å; A128-R153 HydrophobicContact CB-CB 4.32Å; A128-R153 HydrophobicContact CB-CG 3.86Å; N151-R153 VanDerWaalsContact C-N 3.25Å; N151-R153 PolarHBondContact O-N 3.06Å; N151-R153 PolarHBondContact OD1-N 3.49Å; R153-E156 VanDerWaalsContact CD-OE2 3.23Å; R153-E156 WeakPolarHBondContact CD-OE2 3.29Å; R153-E156 IonicContact CZ-OE2 3.82Å; R153-E156 IonicContact NE-OE2 2.74Å; R153-E156 IonicContact NH1-OE2 3.55Å; R153-E156 PolarHBondContact NH1-OE2 3.45Å; R153-E156 WeakPolarHBondContact O-CB 3.33Å; R153-E156 PolarHBondContact O-N 3.25Å; R153-V157 WeakPolarHBondContact O-CG2 3.43Å; R153-V157 PolarHBondContact O-N 3.06Å
154G97.3Very high97.2Very high0 Ų052 Ų520%025%0.253CS..Hα-helixtrans-61.8-42.1171.800000112.7L130 N151 R152 V157 L158L130-G154 WeakPolarHBondContact CD1-O 3.13Å; N151-G154 PolarHBondContact O-N 3.4Å; N151-G154 VanDerWaalsContact O-N 3.14Å; N151-G154 PolarHBondContact OD1-N 2.98Å; R152-G154 VanDerWaalsContact C-N 3.31Å; R152-G154 PolarHBondContact O-N 3.18Å; G154-V157 PolarHBondContact O-N 3.38Å; G154-L158 PolarHBondContact O-N 3.48Å
155A98.3Very high97.1Very high4 Ų453.9 Ų53.93%0.03326%0.261CS..Hα-helixtrans-64.8-3817500000112.7V144 I146 N151 R152 L158 A159 T169V144-A155 HydrophobicContact CB-CB 4.09Å; V144-A155 HydrophobicContact CG1-CB 3.79Å; V144-A155 HydrophobicContact CG2-CB 4.41Å; I146-A155 HydrophobicContact CD1-CB 4.42Å; N151-A155 PolarHBondContact O-N 3.39Å; R152-A155 WeakPolarHBondContact O-CB 3.46Å; R152-A155 PolarHBondContact O-N 3.29Å; R152-A155 VanDerWaalsContact O-N 3.13Å; A155-L158 WeakPolarHBondContact O-CB 3.17Å; A155-L158 PolarHBondContact O-N 2.86Å; A155-A159 PolarHBondContact O-N 2.62Å; A155-T169 HydrophobicContact CB-CG2 3.72Å
156E97.4Very high97.1Very high90 Ų9056.6 Ų56.642%0.42128%0.284SS..Hα-helixtrans-62.4-46.3174.1-71.5164.4-163.400111.6R152 R153 L158 A159 D160R152-E156 WeakPolarHBondContact O-CG 3.36Å; R152-E156 PolarHBondContact O-N 2.58Å; R153-E156 VanDerWaalsContact CD-OE2 3.23Å; R153-E156 WeakPolarHBondContact CD-OE2 3.29Å; R153-E156 IonicContact CZ-OE2 3.82Å; R153-E156 IonicContact NE-OE2 2.74Å; R153-E156 IonicContact NH1-OE2 3.55Å; R153-E156 PolarHBondContact NH1-OE2 3.45Å; R153-E156 WeakPolarHBondContact O-CB 3.33Å; R153-E156 PolarHBondContact O-N 3.25Å; E156-L158 VanDerWaalsContact C-N 3.25Å; E156-L158 PolarHBondContact O-N 3.2Å; E156-A159 WeakPolarHBondContact O-CB 3.35Å; E156-A159 PolarHBondContact O-N 3.08Å; E156-A159 VanDerWaalsContact O-N 3.11Å; E156-D160 PolarHBondContact O-N 3.41Å
157V97.6Very high97.1Very high23 Ų2356.4 Ų56.414%0.13928%0.284CS..Hα-helixtrans-60.2-38.1175.7173.30000111.2L88 M118 A128 R153 G154 D160 T161L88-V157 HydrophobicContact CD1-CG1 4.2Å; M118-V157 HydrophobicContact CB-CG1 4.43Å; M118-V157 HydrophobicContact CE-CB 4.03Å; M118-V157 HydrophobicContact CE-CG1 3.92Å; M118-V157 HydrophobicContact CG-CG1 4.18Å; A128-V157 HydrophobicContact CB-CG2 4.19Å; R153-V157 WeakPolarHBondContact O-CG2 3.43Å; R153-V157 PolarHBondContact O-N 3.06Å; G154-V157 PolarHBondContact O-N 3.38Å; V157-D160 PolarHBondContact O-N 3.13Å; V157-T161 WeakPolarHBondContact O-CB 3.35Å; V157-T161 PolarHBondContact O-N 3.44Å; V157-T161 PolarHBondContact O-OG1 3.05Å
158L98.6Very high97.2Very high0 Ų056.4 Ų56.40%028%0.284CS..Hα-helixtrans-62.8-45.2174.3-173152.3000111.6V81 L88 L130 V135 F142 V144 G154 A155 E156 T161 F162 V167V81-L158 HydrophobicContact CG1-CD1 4.3Å; V81-L158 HydrophobicContact CG2-CD1 4.26Å; L88-L158 HydrophobicContact CD2-CB 4.02Å; L88-L158 HydrophobicContact CD2-CG 4.24Å; L130-L158 HydrophobicContact CD1-CB 4.04Å; L130-L158 HydrophobicContact CD1-CD1 3.77Å; V135-L158 HydrophobicContact CB-CD1 4.35Å; V135-L158 HydrophobicContact CG1-CD1 3.73Å; V135-L158 HydrophobicContact CG2-CD1 3.62Å; F142-L158 HydrophobicContact CB-CD2 4.1Å; F142-L158 HydrophobicContact CD1-CD2 4.11Å; F142-L158 HydrophobicContact CD2-CD2 4.13Å; F142-L158 HydrophobicContact CG-CD2 3.86Å; V144-L158 HydrophobicContact CG2-CD1 4.19Å; V144-L158 HydrophobicContact CG2-CD2 4.32Å; G154-L158 PolarHBondContact O-N 3.48Å; A155-L158 WeakPolarHBondContact O-CB 3.17Å; A155-L158 PolarHBondContact O-N 2.86Å; E156-L158 VanDerWaalsContact C-N 3.25Å; E156-L158 PolarHBondContact O-N 3.2Å; L158-T161 PolarHBondContact O-N 2.77Å; L158-F162 HydrophobicContact CD2-CD2 4.03Å; L158-F162 HydrophobicContact CG-CD2 3.91Å; L158-F162 HydrophobicContact CG-CE2 4.2Å; L158-F162 WeakPolarHBondContact O-CD2 3.4Å; L158-F162 PolarHBondContact O-N 2.97Å; L158-V167 HydrophobicContact CD2-CG1 4.01Å; L158-V167 HydrophobicContact CD2-CG2 3.79Å
159A98.3Very high97.4Very high33 Ų3356 Ų5627%0.27328%0.279SS..Hα-helixtrans-62.5-41.8176.400000112.5A155 E156 T161 F162 R163 V167A155-A159 PolarHBondContact O-N 2.62Å; E156-A159 WeakPolarHBondContact O-CB 3.35Å; E156-A159 PolarHBondContact O-N 3.08Å; E156-A159 VanDerWaalsContact O-N 3.11Å; A159-T161 PolarHBondContact O-N 2.54Å; A159-F162 CarbonylContact O-C 3.53Å; A159-F162 PolarHBondContact O-N 2.76Å; A159-R163 PolarHBondContact O-N 3.28Å; A159-V167 HydrophobicContact CB-CB 3.87Å; A159-V167 HydrophobicContact CB-CG1 4.32Å; A159-V167 HydrophobicContact CB-CG2 3.7Å
160D97.7Very high97.6Very high90 Ų9054.8 Ų54.848%0.48127%0.273SS..Hα-helixtrans-66.1-27.8176.6-76.9-22.8000112.8E156 V157 R163E156-D160 PolarHBondContact O-N 3.41Å; V157-D160 PolarHBondContact O-N 3.13Å; D160-R163 WeakPolarHBondContact O-CG 3.49Å; D160-R163 PolarHBondContact O-NE 2.82Å
161T98.2Very high97.5Very high29 Ų2957.6 Ų57.618%0.17829%0.292CS..Hα-helixtrans-79.5-45177.6-56.30000111.6T86 L88 V116 V157 L158 A159T86-T161 HydrophobicContact CG2-CG2 3.88Å; L88-T161 HydrophobicContact CB-CG2 4.14Å; L88-T161 HydrophobicContact CD1-CG2 4.47Å; V116-T161 HydrophobicContact CB-CG2 4.05Å; V116-T161 HydrophobicContact CG1-CG2 4.13Å; V116-T161 HydrophobicContact CG2-CG2 4.06Å; V157-T161 WeakPolarHBondContact O-CB 3.35Å; V157-T161 PolarHBondContact O-N 3.44Å; V157-T161 PolarHBondContact O-OG1 3.05Å; L158-T161 PolarHBondContact O-N 2.77Å; A159-T161 PolarHBondContact O-N 2.54Å
162F97.6Very high97.4Very high6 Ų656 Ų563%0.02628%0.284CS..SBendtrans-109.457.8-175.7-56.1-67.1000112.2V81 Q83 T86 L88 F142 L158 A159 D164 F165V81-F162 HydrophobicContact CB-CE2 4.27Å; V81-F162 HydrophobicContact CG1-CE2 3.81Å; V81-F162 HydrophobicContact CG1-CZ 4.21Å; Q83-F162 HydrophobicContact CB-CD1 3.81Å; Q83-F162 HydrophobicContact CB-CE1 3.64Å; Q83-F162 HydrophobicContact CB-CZ 4.27Å; T86-F162 HydrophobicContact CG2-CE1 3.89Å; L88-F162 HydrophobicContact CB-CE2 3.91Å; L88-F162 HydrophobicContact CB-CZ 3.92Å; L88-F162 HydrophobicContact CD2-CE2 4.27Å; F142-F162 HydrophobicContact CE2-CB 3.72Å; F142-F162 HydrophobicContact CE2-CD2 4.23Å; F142-F162 HydrophobicContact CE2-CG 4.07Å; F142-F162 HydrophobicContact CZ-CB 4.17Å; F142-F162 AromaticContact CZ-CD2 3.95Å; F142-F162 HydrophobicContact CZ-CD2 3.95Å; F142-F162 AromaticContact CZ-CG 3.99Å; F142-F162 HydrophobicContact CZ-CG 3.99Å; L158-F162 HydrophobicContact CD2-CD2 4.03Å; L158-F162 HydrophobicContact CG-CD2 3.91Å; L158-F162 HydrophobicContact CG-CE2 4.2Å; L158-F162 WeakPolarHBondContact O-CD2 3.4Å; L158-F162 PolarHBondContact O-N 2.97Å; A159-F162 CarbonylContact O-C 3.53Å; A159-F162 PolarHBondContact O-N 2.76Å; F162-D164 PolarHBondContact O-N 3.41Å; F162-F165 HydrophobicContact CB-CD2 4.3Å; F162-F165 PolarHBondContact O-N 3.3Å
163R96.8Very high96.8Very high197 Ų19752.8 Ų52.874%0.74329%0.287SS*.THydrogen-bonded Turntrans-60.4-18.2-170.8-57.6-175.9-173.1-178.8-2.5115.5A159 D160 F165A159-R163 PolarHBondContact O-N 3.28Å; D160-R163 WeakPolarHBondContact O-CG 3.49Å; D160-R163 PolarHBondContact O-NE 2.82Å; R163-F165 PolarHBondContact O-N 3Å
164D95.9Very high96.1Very high151 Ų15152.8 Ų52.881%0.80731%0.314SS*.THydrogen-bonded Turntrans-76.9-7.7178.1-66.5-28.6000113.1F162F162-D164 PolarHBondContact O-N 3.41Å
165F97.3Very high95.3Very high39 Ų3955.1 Ų55.117%0.17134%0.339CS..SBendtrans-122.2141.6-176.5-61.6-82.8000111.1Q83 F137 R140 F142 F162 R163Q83-F165 HydrophobicContact CG-CD2 4.43Å; Q83-F165 HydrophobicContact CG-CE2 3.88Å; Q83-F165 HydrophobicContact CG-CZ 4.25Å; F137-F165 AromaticContact CE2-CD1 3.64Å; F137-F165 HydrophobicContact CE2-CD1 3.64Å; F137-F165 AromaticContact CE2-CE1 3.73Å; F137-F165 HydrophobicContact CE2-CE1 3.73Å; F137-F165 HydrophobicContact CE2-CG 4.12Å; F137-F165 HydrophobicContact CE2-CZ 4.29Å; F137-F165 HydrophobicContact CZ-CD1 4.14Å; F137-F165 AromaticContact CZ-CE1 3.72Å; F137-F165 HydrophobicContact CZ-CE1 3.72Å; F137-F165 HydrophobicContact CZ-CZ 4.05Å; R140-F165 WeakPolarHBondContact O-CD1 3.38Å; F142-F165 HydrophobicContact CD2-CB 3.64Å; F142-F165 HydrophobicContact CD2-CG 4.27Å; F142-F165 HydrophobicContact CE2-CB 3.61Å; F142-F165 AromaticContact CE2-CD2 3.91Å; F142-F165 HydrophobicContact CE2-CD2 3.91Å; F142-F165 AromaticContact CE2-CG 3.79Å; F142-F165 HydrophobicContact CE2-CG 3.79Å; F162-F165 HydrophobicContact CB-CD2 4.3Å; F162-F165 PolarHBondContact O-N 3.3Å; R163-F165 PolarHBondContact O-N 3Å
166A98.1Very high95Very high57 Ų5755.8 Ų55.847%0.47134%0.344SS..EExtended strand (participates in β ladder)trans-64.2143.3167.400000110E141 F142E141-A166 WeakPolarHBondContact CA-O 3.38Å; E141-A166 HydrophobicContact CB-CB 4.1Å; E141-A166 WeakPolarHBondContact CB-O 3.43Å; F142-A166 PolarHBondContact N-O 3.34Å
167V98.7Very high94.9Very high38 Ų3852.3 Ų52.323%0.2333%0.327CS..EExtended strand (participates in β ladder)trans-127.8117.1176.3-176.20000108.9F142 V144 L158 A159F142-V167 HydrophobicContact CB-CG1 4.32Å; F142-V167 HydrophobicContact CB-CG2 4.13Å; F142-V167 HydrophobicContact CD2-CG2 4.16Å; F142-V167 WeakPolarHBondContact O-CA 3.35Å; V144-V167 HydrophobicContact CG2-CG1 3.74Å; L158-V167 HydrophobicContact CD2-CG1 4.01Å; L158-V167 HydrophobicContact CD2-CG2 3.79Å; A159-V167 HydrophobicContact CB-CB 3.87Å; A159-V167 HydrophobicContact CB-CG1 4.32Å; A159-V167 HydrophobicContact CB-CG2 3.7Å
168S98.6Very high95Very high22 Ų2251.2 Ų51.215%0.15432%0.321CS..EExtended strand (participates in β ladder)trans-117.5133.7-179.2-75.60000110.2F142 F143 V144F142-S168 PolarHBondContact O-N 3.03Å; F143-S168 CarbonylContact C-O 3.54Å; F143-S168 VanDerWaalsContact CA-O 3.31Å; F143-S168 WeakPolarHBondContact CA-O 3.31Å; V144-S168 PolarHBondContact N-O 3.25Å
169T98.6Very high94.9Very high57 Ų5752.4 Ų52.435%0.3533%0.326SS..EExtended strand (participates in β ladder)trans-96.8136.9179.963.20000111.7V144 I146 A155V144-T169 CarbonylContact O-C 3.59Å; V144-T169 VanDerWaalsContact O-CA 3.25Å; V144-T169 WeakPolarHBondContact O-CA 3.48Å; I146-T169 HydrophobicContact CD1-CG2 3.9Å; I146-T169 HydrophobicContact CG1-CG2 4.27Å; A155-T169 HydrophobicContact CB-CG2 3.72Å
170V97.9Very high94.9Very high1 Ų151.7 Ų51.71%0.00632%0.318CS..EExtended strand (participates in β ladder)trans-126.1138.7176.7-65.60000111F143 V144 G145 I146 L178 T201 M204 M205 L208F143-V170 HydrophobicContact CD1-CG1 4.29Å; V144-V170 PolarHBondContact O-N 3.19Å; G145-V170 CarbonylContact C-O 3.54Å; G145-V170 WeakPolarHBondContact CA-O 3.45Å; I146-V170 PolarHBondContact N-O 3.17Å; V170-L178 HydrophobicContact CG2-CD1 3.94Å; V170-L178 HydrophobicContact CG2-CD2 4.16Å; V170-T201 HydrophobicContact CB-CG2 4.09Å; V170-T201 HydrophobicContact CG2-CG2 3.77Å; V170-M204 HydrophobicContact CG1-CB 4.4Å; V170-M205 HydrophobicContact CG1-CG 3.83Å; V170-L208 HydrophobicContact CG1-CD1 3.88Å
171P96.1Very high94.8Very high61 Ų6147.9 Ų47.940%0.39630%0.297SS..EExtended strand (participates in β ladder)trans-70.3136.3179.429.8-34.8000111M204P171-M204 VanDerWaalsContact CD-SD 3.54Å; P171-M204 HydrophobicContact CG-CE 3.49Å; P171-M204 VanDerWaalsContact CG-CE 3.49Å; P171-M204 HydrophobicContact CG-SD 3.54Å; P171-M204 VanDerWaalsContact CG-SD 3.54Å
172V94.3Very high94.9Very high13 Ų1346.5 Ų46.58%0.07929%0.288CS..  trans-121.6122.2175-176.60000108.9I146 A176 L178 F181I146-V172 PolarHBondContact O-N 3.44Å; V172-A176 HydrophobicContact CG1-CB 4.17Å; V172-A176 WeakPolarHBondContact CG1-O 3.25Å; V172-L178 HydrophobicContact CG2-CB 4.14Å; V172-L178 HydrophobicContact CG2-CD1 4.38Å; V172-F181 HydrophobicContact CG1-CE1 3.78Å; V172-F181 HydrophobicContact CG1-CZ 4.02Å; V172-F181 HydrophobicContact CG2-CZ 4.26Å
173C83.9Confident94.9Very high109 Ų10946.4 Ų46.474%0.73629%0.288SS*.  trans-106.3164.8-175.1-63.50000111.8
174G80.6Confident95Very high88 Ų8837.3 Ų37.391%0.90725%0.254SS*.THydrogen-bonded Turntrans78.618.3168.400000115.5A176G174-A176 PolarHBondContact O-N 3.19Å
175G81.7Confident95Very high50 Ų5030.1 Ų30.152%0.51522%0.216SC..THydrogen-bonded Turntrans757.717900000114.7
176A90.7Very high94.9Very high18 Ų1828.2 Ų28.215%0.14921%0.208CC..  trans-79.4162.8171.800000111.4V172 G174 N180 F181V172-A176 HydrophobicContact CG1-CB 4.17Å; V172-A176 WeakPolarHBondContact CG1-O 3.25Å; G174-A176 PolarHBondContact O-N 3.19Å; A176-N180 HydrophobicContact CB-CB 4.32Å; A176-F181 HydrophobicContact CB-CD1 4.42Å; A176-F181 HydrophobicContact CB-CE1 4.24Å
177R96.3Very high94.6Very high16 Ų1627.3 Ų27.36%0.0620%0.197CC..  trans-98.9159.5157.5-67.1111.9168.7165.51110.6R75 D78 E131 S133 D134 K179 N180 G273R75-R177 VanDerWaalsContact NH1-NH1 3.19Å; D78-R177 IonicContact OD2-NH2 3.67Å; E131-R177 IonicContact OE1-NH2 2.73Å; E131-R177 IonicContact OE2-CZ 3.5Å; E131-R177 IonicContact OE2-NE 3.07Å; E131-R177 PolarHBondContact OE2-NE 2.85Å; E131-R177 IonicContact OE2-NH2 3.44Å; E131-R177 PolarHBondContact OE2-NH2 3.34Å; S133-R177 WeakPolarHBondContact OG-CD 3.44Å; S133-R177 VanDerWaalsContact OG-CG 3.22Å; S133-R177 WeakPolarHBondContact OG-CG 3.26Å; S133-R177 PolarHBondContact OG-NE 3.4Å; D134-R177 WeakPolarHBondContact OD1-CA 3.28Å; D134-R177 WeakPolarHBondContact OD1-CB 3.15Å; D134-R177 WeakPolarHBondContact OD2-CG 3.36Å; R177-K179 VanDerWaalsContact C-N 3.29Å; R177-K179 PolarHBondContact O-N 3.32Å; R177-N180 PolarHBondContact N-OD1 2.77Å; R177-N180 WeakPolarHBondContact O-CB 3.3Å; R177-N180 PolarHBondContact O-N 2.99Å; R177-N180 PolarHBondContact O-OD1 3.24Å; R177-G273 PolarHBondContact NH1-O 2.93Å
178L98.3Very high94.3Very high0 Ų027.8 Ų27.80%020%0.198CC..G310 helixtrans-47.9-49.6179.8-17857.1000112.5D134 L136 F143 V170 V172 N180 F181 C182 T201D134-L178 WeakPolarHBondContact O-CD2 3.35Å; D134-L178 PolarHBondContact OD1-N 2.92Å; L136-L178 HydrophobicContact CB-CD2 3.91Å; F143-L178 HydrophobicContact CB-CD2 4.08Å; V170-L178 HydrophobicContact CG2-CD1 3.94Å; V170-L178 HydrophobicContact CG2-CD2 4.16Å; V172-L178 HydrophobicContact CG2-CB 4.14Å; V172-L178 HydrophobicContact CG2-CD1 4.38Å; L178-N180 PolarHBondContact O-N 3.04Å; L178-F181 HydrophobicContact CD1-CE2 3.8Å; L178-F181 HydrophobicContact CD1-CZ 3.94Å; L178-F181 WeakPolarHBondContact O-CE2 3.3Å; L178-F181 PolarHBondContact O-N 3.24Å; L178-C182 PolarHBondContact O-N 3.45Å; L178-C182 PolarHBondContact O-SG 3.14Å; L178-T201 HydrophobicContact CD1-CG2 3.69Å
179K98.4Very high94.2Very high25 Ų2527.7 Ų27.711%0.10920%0.196CC..G310 helixtrans-77.32.4-177.2-66.3-172.4-67.5-161.40114.9E77 G132 S133 V135 R177 F181 C182 N225E77-K179 VanDerWaalsContact OE1-CE 3.3Å; E77-K179 WeakPolarHBondContact OE1-CE 3.45Å; E77-K179 IonicContact OE1-NZ 2.83Å; E77-K179 PolarHBondContact OE1-NZ 3.37Å; E77-K179 IonicContact OE2-NZ 3.07Å; G132-K179 WeakPolarHBondContact O-CE 3.25Å; G132-K179 PolarHBondContact O-NZ 2.7Å; S133-K179 WeakPolarHBondContact O-CB 3.45Å; S133-K179 WeakPolarHBondContact O-CE 3.47Å; S133-K179 WeakPolarHBondContact O-CG 3.45Å; S133-K179 PolarHBondContact O-N 2.89Å; V135-K179 VanDerWaalsContact O-CD 3.31Å; V135-K179 WeakPolarHBondContact O-CD 3.18Å; V135-K179 WeakPolarHBondContact O-CE 3.22Å; V135-K179 PolarHBondContact O-NZ 3.27Å; R177-K179 VanDerWaalsContact C-N 3.29Å; R177-K179 PolarHBondContact O-N 3.32Å; K179-F181 PolarHBondContact O-N 3.14Å; K179-C182 CarbonylContact C-O 3.55Å; K179-C182 VanDerWaalsContact CA-O 3.24Å; K179-C182 WeakPolarHBondContact CA-O 3.25Å; K179-N225 WeakPolarHBondContact O-CB 3.43Å; K179-N225 PolarHBondContact O-ND2 2.93Å
180N96.6Very high94.2Very high19 Ų1925.1 Ų25.110%0.10218%0.181CC..G310 helixtrans-67.9-28.5169-70136.8000112A176 R177 L178 S275A176-N180 HydrophobicContact CB-CB 4.32Å; R177-N180 PolarHBondContact N-OD1 2.77Å; R177-N180 WeakPolarHBondContact O-CB 3.3Å; R177-N180 PolarHBondContact O-N 2.99Å; R177-N180 PolarHBondContact O-OD1 3.24Å; L178-N180 PolarHBondContact O-N 3.04Å; N180-S275 PolarHBondContact ND2-OG 2.91Å
181F97.3Very high94.2Very high9 Ų925.1 Ų25.14%0.03918%0.181CC..SBendtrans-1236.3-177.652.8-100000113.9V172 A176 L178 K179 I192 S193 A198 T201 E221 A224V172-F181 HydrophobicContact CG1-CE1 3.78Å; V172-F181 HydrophobicContact CG1-CZ 4.02Å; V172-F181 HydrophobicContact CG2-CZ 4.26Å; A176-F181 HydrophobicContact CB-CD1 4.42Å; A176-F181 HydrophobicContact CB-CE1 4.24Å; L178-F181 HydrophobicContact CD1-CE2 3.8Å; L178-F181 HydrophobicContact CD1-CZ 3.94Å; L178-F181 WeakPolarHBondContact O-CE2 3.3Å; L178-F181 PolarHBondContact O-N 3.24Å; K179-F181 PolarHBondContact O-N 3.14Å; F181-I192 WeakPolarHBondContact O-CA 3.11Å; F181-I192 WeakPolarHBondContact O-CG1 3.46Å; F181-S193 PolarHBondContact O-N 2.81Å; F181-A198 HydrophobicContact CB-CB 4.02Å; F181-A198 HydrophobicContact CD2-CB 3.66Å; F181-A198 HydrophobicContact CE2-CB 4.44Å; F181-A198 HydrophobicContact CG-CB 4.01Å; F181-T201 HydrophobicContact CE2-CG2 4Å; F181-T201 HydrophobicContact CZ-CG2 4.38Å; F181-E221 HydrophobicContact CB-CG 3.77Å; F181-A224 VanDerWaalsContact C-CB 3.44Å; F181-A224 WeakPolarHBondContact O-CB 3.15Å
182C98.4Very high94.3Very high0 Ų022.3 Ų22.30%016%0.162CC..EExtended strand (participates in β ladder)trans-151.3163.8171.870.70000114.1L178 K179 I191 I192 A224L178-C182 PolarHBondContact O-N 3.45Å; L178-C182 PolarHBondContact O-SG 3.14Å; K179-C182 CarbonylContact C-O 3.55Å; K179-C182 VanDerWaalsContact CA-O 3.24Å; K179-C182 WeakPolarHBondContact CA-O 3.25Å; C182-I191 CarbonylContact C-O 3.54Å; C182-I191 WeakPolarHBondContact CA-O 3.21Å; C182-I191 WeakPolarHBondContact CB-O 3.23Å; C182-I192 HydrophobicContact CB-CB 4.25Å; C182-I192 HydrophobicContact CB-CD1 4.46Å; C182-I192 HydrophobicContact CB-CG1 3.98Å; C182-A224 CarbonylContact C-O 3.55Å; C182-A224 VanDerWaalsContact C-O 3.32Å
183S98.7Very high94.5Very high4 Ų421.9 Ų21.93%0.02816%0.16CC..EExtended strand (participates in β ladder)trans-162.7172.4169.158.80000110.7I191 A224 C226S183-I191 PolarHBondContact N-O 3.45Å; S183-I191 PolarHBondContact O-N 3.27Å; S183-A224 PolarHBondContact N-O 2.91Å; S183-A224 PolarHBondContact OG-O 3.05Å; S183-C226 PolarHBondContact OG-N 3.49Å
184M98.2Very high95Very high6 Ų620.4 Ų20.43%0.0315%0.145CC..EExtended strand (participates in β ladder)trans-80.4125.3166.3-62.8-55.1-65.300109.8Y7 L136 F137 T138 G186 T189 I190 Y228Y7-M184 HydrophobicContact CE1-CB 3.67Å; Y7-M184 HydrophobicContact CE1-CG 4.03Å; Y7-M184 WeakPolarHBondContact OH-CB 3.27Å; Y7-M184 WeakPolarHBondContact OH-CG 3.43Å; L136-M184 HydrophobicContact CD1-CG 3.91Å; L136-M184 HydrophobicContact CD1-SD 4.22Å; L136-M184 HydrophobicContact CG-SD 4.46Å; F137-M184 WeakPolarHBondContact O-CG 3.35Å; T138-M184 HydrophobicContact CG2-SD 4.01Å; M184-G186 WeakPolarHBondContact CE-O 3.24Å; M184-T189 WeakPolarHBondContact CA-O 3.46Å; M184-T189 WeakPolarHBondContact CE-O 3.05Å; M184-I190 HydrophobicContact CE-CG1 4.29Å; M184-I190 HydrophobicContact SD-CG1 3.76Å; M184-Y228 WeakPolarHBondContact O-CB 3.36Å
185G96.2Very high95.7Very high0 Ų017.6 Ų17.60%012%0.116CC..EExtended strand (participates in β ladder)trans-93-8.6174.300000114.4T189 Y259G185-T189 PolarHBondContact N-O 2.94Å; G185-Y259 WeakPolarHBondContact O-CE1 3.27Å; G185-Y259 PolarHBondContact O-OH 2.99Å
186G94.8Very high96.2Very high0 Ų020.9 Ų20.90%012%0.121CC..EExtended strand (participates in β ladder)trans173-177.8-172.200000111.7M184 D188 T189 Y259M184-G186 WeakPolarHBondContact CE-O 3.24Å; G186-D188 PolarHBondContact O-N 3.5Å; G186-T189 PolarHBondContact O-N 2.93Å; G186-Y259 VanDerWaalsContact CA-OH 3.31Å; G186-Y259 WeakPolarHBondContact CA-OH 3.39Å
187P92.5Very high96.2Very high38 Ų3822.2 Ų22.225%0.24714%0.136CC..THydrogen-bonded Turntrans-61.4125.1167.9-13.130.7000108T189 Y228P187-T189 PolarHBondContact O-N 3.28Å; P187-T189 PolarHBondContact O-OG1 3.2Å; P187-Y228 WeakPolarHBondContact CD-OH 3.47Å; P187-Y228 HydrophobicContact CG-CE1 4.41Å; P187-Y228 WeakPolarHBondContact CG-OH 3.45Å
188D93.4Very high96.1Very high48 Ų4821.5 Ų21.526%0.25713%0.134SC..THydrogen-bonded Turntrans59.415.3178.6-52.1-38.4000115R140 G186 Y213 D214R140-D188 IonicContact CZ-OD1 2.78Å; R140-D188 VanDerWaalsContact CZ-OD1 3.25Å; R140-D188 IonicContact CZ-OD2 3.34Å; R140-D188 IonicContact NE-OD1 2.91Å; R140-D188 PolarHBondContact NE-OD1 3.18Å; R140-D188 VanDerWaalsContact NH2-CG 3.26Å; R140-D188 IonicContact NH2-OD1 3.51Å; R140-D188 PolarHBondContact NH2-OD1 3.02Å; R140-D188 IonicContact NH2-OD2 3.25Å; R140-D188 PolarHBondContact NH2-OD2 3.09Å; G186-D188 PolarHBondContact O-N 3.5Å; D188-Y213 CarbonylContact O-C 3.46Å; D188-Y213 VanDerWaalsContact O-CA 3.26Å; D188-Y213 WeakPolarHBondContact O-CA 3.42Å; D188-D214 PolarHBondContact O-N 3.35Å
189T96.1Very high96Very high19 Ų1925 Ų2512%0.11715%0.149CC..EExtended strand (participates in β ladder)trans-116.6118.5178.8-54.60000111.2M184 G185 G186 P187 D214 L216M184-T189 WeakPolarHBondContact CA-O 3.46Å; M184-T189 WeakPolarHBondContact CE-O 3.05Å; G185-T189 PolarHBondContact N-O 2.94Å; G186-T189 PolarHBondContact O-N 2.93Å; P187-T189 PolarHBondContact O-N 3.28Å; P187-T189 PolarHBondContact O-OG1 3.2Å; T189-D214 CarbonylContact C-O 3.57Å; T189-D214 VanDerWaalsContact CA-O 3.32Å; T189-D214 WeakPolarHBondContact CA-O 3.12Å; T189-D214 HydrophobicContact CG2-CB 4.46Å; T189-L216 HydrophobicContact CG2-CB 4.4Å
190I98.1Very high95.8Very high4 Ų430 Ų302%0.02117%0.171CC..EExtended strand (participates in β ladder)trans-97.6125172.3-62.9172.3000108.6M184 I192 M205 Y213 D214 V215 L216M184-I190 HydrophobicContact CE-CG1 4.29Å; M184-I190 HydrophobicContact SD-CG1 3.76Å; I190-I192 HydrophobicContact CG2-CB 4.45Å; I190-M205 HydrophobicContact CD1-CE 3.86Å; I190-Y213 HydrophobicContact CD1-CD1 4.26Å; I190-Y213 HydrophobicContact CD1-CD2 3.98Å; I190-Y213 HydrophobicContact CD1-CG 3.76Å; I190-Y213 HydrophobicContact CG1-CD1 4.39Å; I190-Y213 HydrophobicContact CG1-CG 4.25Å; I190-D214 PolarHBondContact N-O 2.73Å; I190-V215 WeakPolarHBondContact O-CA 3.34Å; I190-L216 PolarHBondContact O-N 3.37Å
191I98.5Very high95.7Very high0 Ų029.4 Ų29.40%017%0.168CC..EExtended strand (participates in β ladder)trans-92.2131.2168.2-56.5172.5000107.3C182 S183 L216 V218 C226 L238 F253C182-I191 CarbonylContact C-O 3.54Å; C182-I191 WeakPolarHBondContact CA-O 3.21Å; C182-I191 WeakPolarHBondContact CB-O 3.23Å; S183-I191 PolarHBondContact N-O 3.45Å; S183-I191 PolarHBondContact O-N 3.27Å; I191-L216 WeakPolarHBondContact CA-O 3.35Å; I191-L216 HydrophobicContact CG1-CB 4.24Å; I191-L216 HydrophobicContact CG1-CD2 4.22Å; I191-V218 HydrophobicContact CG2-CG1 3.99Å; I191-V218 HydrophobicContact CG2-CG2 4.35Å; I191-C226 HydrophobicContact CD1-CB 3.96Å; I191-L238 HydrophobicContact CD1-CD1 4.23Å; I191-L238 HydrophobicContact CD1-CD2 4.13Å; I191-F253 HydrophobicContact CD1-CE1 4.18Å; I191-F253 HydrophobicContact CG2-CE1 4.43Å
192I98.3Very high95.7Very high3 Ų330.1 Ų30.12%0.01517%0.172CC..EExtended strand (participates in β ladder)trans-146147.2-177.3-165.6172.8000112.4F181 C182 I190 A198 L202 V215 L216 T217 V218F181-I192 WeakPolarHBondContact O-CA 3.11Å; F181-I192 WeakPolarHBondContact O-CG1 3.46Å; C182-I192 HydrophobicContact CB-CB 4.25Å; C182-I192 HydrophobicContact CB-CD1 4.46Å; C182-I192 HydrophobicContact CB-CG1 3.98Å; I190-I192 HydrophobicContact CG2-CB 4.45Å; I192-A198 HydrophobicContact CD1-CB 4.04Å; I192-A198 VanDerWaalsContact CD1-O 3.29Å; I192-A198 WeakPolarHBondContact CD1-O 3.47Å; I192-A198 HydrophobicContact CG1-CB 3.89Å; I192-L202 HydrophobicContact CD1-CB 3.66Å; I192-L202 HydrophobicContact CD1-CD1 4.25Å; I192-L202 HydrophobicContact CD1-CD2 4.43Å; I192-L202 HydrophobicContact CD1-CG 4.33Å; I192-L202 HydrophobicContact CG2-CD2 4.26Å; I192-V215 HydrophobicContact CG2-CG1 3.6Å; I192-L216 PolarHBondContact N-O 2.86Å; I192-L216 VanDerWaalsContact N-O 3.08Å; I192-T217 CarbonylContact O-C 3.54Å; I192-T217 VanDerWaalsContact O-CA 3.27Å; I192-T217 WeakPolarHBondContact O-CA 3.17Å; I192-V218 PolarHBondContact O-N 3.46Å
193S97.4Very high95.6Very high3 Ų337.8 Ų37.82%0.02120%0.201CC..EExtended strand (participates in β ladder)trans-72156.8176.185.30000112.6F181 G195 A198 V218F181-S193 PolarHBondContact O-N 2.81Å; S193-G195 PolarHBondContact O-N 3.32Å; S193-G195 PolarHBondContact OG-N 3.25Å; S193-A198 WeakPolarHBondContact O-CB 3.48Å; S193-A198 VanDerWaalsContact OG-CB 3.23Å; S193-A198 WeakPolarHBondContact OG-CB 3.45Å; S193-V218 CarbonylContact C-O 3.59Å; S193-V218 WeakPolarHBondContact CA-O 3.33Å
194N94.8Very high95.5Very high79 Ų7940.5 Ų40.542%0.42221%0.214SC..SBendtrans-81.58.3176.8-164.931.9000113.5K199 T217 V218N194-K199 VanDerWaalsContact O-CE 3.23Å; N194-K199 WeakPolarHBondContact O-CE 3.29Å; N194-K199 PolarHBondContact O-NZ 2.8Å; N194-K199 WeakPolarHBondContact OD1-CE 3.39Å; N194-K199 PolarHBondContact OD1-NZ 3.35Å; N194-T217 HydrophobicContact CB-CG2 3.8Å; N194-V218 PolarHBondContact N-O 3.15Å
195G94.1Very high95.4Very high29 Ų2940.4 Ų40.430%0.29921%0.213SC..SBendtrans-67.715218000000112.7S193 G197 A198 K199S193-G195 PolarHBondContact O-N 3.32Å; S193-G195 PolarHBondContact OG-N 3.25Å; G195-G197 VanDerWaalsContact C-N 3.31Å; G195-G197 PolarHBondContact O-N 3.36Å; G195-A198 PolarHBondContact O-N 3.33Å; G195-K199 WeakPolarHBondContact O-CG 3.25Å; G195-K199 PolarHBondContact O-N 3.31Å
196D92.3Very high95.5Very high119 Ų11945.7 Ų45.764%0.63624%0.238SC*.Hα-helixtrans-63.1-36.7-177.3-72.7-21.8000113.1K200D196-K200 VanDerWaalsContact O-CG 3.28Å; D196-K200 WeakPolarHBondContact O-CG 3.32Å; D196-K200 PolarHBondContact O-N 3.13Å; D196-K200 VanDerWaalsContact O-N 3.1Å
197G91.3Very high95.6Very high45 Ų4553.4 Ų53.446%0.46427%0.274SS..Hα-helixtrans-61.3-51.3173.100000111.2G195 K199 K200 T201G195-G197 VanDerWaalsContact C-N 3.31Å; G195-G197 PolarHBondContact O-N 3.36Å; G197-K199 PolarHBondContact O-N 2.97Å; G197-K200 PolarHBondContact O-N 3.27Å; G197-K200 VanDerWaalsContact O-N 3.17Å; G197-T201 PolarHBondContact O-N 3.48Å; G197-T201 PolarHBondContact O-OG1 3.27Å; G197-T201 VanDerWaalsContact O-OG1 3.12Å
198A94.8Very high95.8Very high1 Ų155.6 Ų55.61%0.00828%0.284CS..Hα-helixtrans-59.7-44.417900000112.5F181 I192 S193 G195 K200 T201 L202F181-A198 HydrophobicContact CB-CB 4.02Å; F181-A198 HydrophobicContact CD2-CB 3.66Å; F181-A198 HydrophobicContact CE2-CB 4.44Å; F181-A198 HydrophobicContact CG-CB 4.01Å; I192-A198 HydrophobicContact CD1-CB 4.04Å; I192-A198 VanDerWaalsContact CD1-O 3.29Å; I192-A198 WeakPolarHBondContact CD1-O 3.47Å; I192-A198 HydrophobicContact CG1-CB 3.89Å; S193-A198 WeakPolarHBondContact O-CB 3.48Å; S193-A198 VanDerWaalsContact OG-CB 3.23Å; S193-A198 WeakPolarHBondContact OG-CB 3.45Å; G195-A198 PolarHBondContact O-N 3.33Å; A198-K200 PolarHBondContact O-N 3.22Å; A198-T201 PolarHBondContact O-N 3.32Å; A198-L202 PolarHBondContact O-N 3.04Å
199K95.1Very high96Very high73 Ų7354.1 Ų54.132%0.31728%0.276SS..Hα-helixtrans-59.4-41.6174.5-76.1169.8173.2148.10113.2N194 G195 G197 R203N194-K199 VanDerWaalsContact O-CE 3.23Å; N194-K199 WeakPolarHBondContact O-CE 3.29Å; N194-K199 PolarHBondContact O-NZ 2.8Å; N194-K199 WeakPolarHBondContact OD1-CE 3.39Å; N194-K199 PolarHBondContact OD1-NZ 3.35Å; G195-K199 WeakPolarHBondContact O-CG 3.25Å; G195-K199 PolarHBondContact O-N 3.31Å; G197-K199 PolarHBondContact O-N 2.97Å; K199-R203 WeakPolarHBondContact O-CG 3.3Å; K199-R203 PolarHBondContact O-N 3.06Å; K199-R203 VanDerWaalsContact O-N 3.13Å
200K94.9Very high95.9Very high132 Ų13261.4 Ų61.457%0.57432%0.315SS*.Hα-helixtrans-66-44.4177-74.2171.7-176.21760110.6D196 G197 A198 R203 M204D196-K200 VanDerWaalsContact O-CG 3.28Å; D196-K200 WeakPolarHBondContact O-CG 3.32Å; D196-K200 PolarHBondContact O-N 3.13Å; D196-K200 VanDerWaalsContact O-N 3.1Å; G197-K200 PolarHBondContact O-N 3.27Å; G197-K200 VanDerWaalsContact O-N 3.17Å; A198-K200 PolarHBondContact O-N 3.22Å; K200-R203 PolarHBondContact O-N 2.91Å; K200-M204 HydrophobicContact CB-CE 4.25Å; K200-M204 VanDerWaalsContact O-CE 3.31Å; K200-M204 WeakPolarHBondContact O-CE 3.47Å; K200-M204 PolarHBondContact O-N 2.96Å; K200-M204 VanDerWaalsContact O-N 3.15Å
201T95.4Very high95.9Very high6 Ų665 Ų654%0.03733%0.331CS..Hα-helixtrans-60.5-45.2176.1-580000111.5V170 L178 F181 G197 A198 R203 M204 M205V170-T201 HydrophobicContact CB-CG2 4.09Å; V170-T201 HydrophobicContact CG2-CG2 3.77Å; L178-T201 HydrophobicContact CD1-CG2 3.69Å; F181-T201 HydrophobicContact CE2-CG2 4Å; F181-T201 HydrophobicContact CZ-CG2 4.38Å; G197-T201 PolarHBondContact O-N 3.48Å; G197-T201 PolarHBondContact O-OG1 3.27Å; G197-T201 VanDerWaalsContact O-OG1 3.12Å; A198-T201 PolarHBondContact O-N 3.32Å; T201-R203 PolarHBondContact O-N 3.38Å; T201-M204 WeakPolarHBondContact O-CB 2.93Å; T201-M204 PolarHBondContact O-N 3.03Å; T201-M204 VanDerWaalsContact O-N 3.14Å; T201-M205 HydrophobicContact CG2-CG 4.44Å; T201-M205 HydrophobicContact CG2-SD 4.05Å; T201-M205 WeakPolarHBondContact O-CG 3.4Å; T201-M205 PolarHBondContact O-N 2.94Å
202L96.1Very high95.7Very high23 Ų2372.3 Ų72.312%0.1237%0.365CS..Hα-helixtrans-57.1-49.8176.1-17764.7000112.4I192 A198 M204 M205 E206 V215I192-L202 HydrophobicContact CD1-CB 3.66Å; I192-L202 HydrophobicContact CD1-CD1 4.25Å; I192-L202 HydrophobicContact CD1-CD2 4.43Å; I192-L202 HydrophobicContact CD1-CG 4.33Å; I192-L202 HydrophobicContact CG2-CD2 4.26Å; A198-L202 PolarHBondContact O-N 3.04Å; L202-M204 PolarHBondContact O-N 2.93Å; L202-M205 WeakPolarHBondContact O-CA 3.38Å; L202-M205 WeakPolarHBondContact O-CB 3.41Å; L202-M205 PolarHBondContact O-N 3.07Å; L202-E206 HydrophobicContact CD1-CG 4.43Å; L202-E206 HydrophobicContact CG-CG 4.37Å; L202-E206 WeakPolarHBondContact O-CG 3.24Å; L202-E206 PolarHBondContact O-N 3.18Å; L202-V215 HydrophobicContact CD1-CG2 4.09Å; L202-V215 HydrophobicContact CD2-CG1 3.97Å; L202-V215 HydrophobicContact CD2-CG2 4.28Å
203R96.6Very high95.6Very high162 Ų16273.1 Ų73.161%0.61137%0.368SS*.Hα-helixtrans-58.4-35.5178.3-71.4176.8-170.3177.43112.3K199 K200 T201 Q207K199-R203 WeakPolarHBondContact O-CG 3.3Å; K199-R203 PolarHBondContact O-N 3.06Å; K199-R203 VanDerWaalsContact O-N 3.13Å; K200-R203 PolarHBondContact O-N 2.91Å; T201-R203 PolarHBondContact O-N 3.38Å; R203-Q207 VanDerWaalsContact O-CG 3.27Å; R203-Q207 WeakPolarHBondContact O-CG 3.14Å; R203-Q207 PolarHBondContact O-N 3.31Å
204M96.6Very high95.6Very high60 Ų6077.5 Ų77.530%0.29639%0.391SS..Hα-helixtrans-70.3-42.7174.4-75-177.9-87.400111.5V170 P171 K200 T201 L202 E206 Q207 L208V170-M204 HydrophobicContact CG1-CB 4.4Å; P171-M204 VanDerWaalsContact CD-SD 3.54Å; P171-M204 HydrophobicContact CG-CE 3.49Å; P171-M204 VanDerWaalsContact CG-CE 3.49Å; P171-M204 HydrophobicContact CG-SD 3.54Å; P171-M204 VanDerWaalsContact CG-SD 3.54Å; K200-M204 HydrophobicContact CB-CE 4.25Å; K200-M204 VanDerWaalsContact O-CE 3.31Å; K200-M204 WeakPolarHBondContact O-CE 3.47Å; K200-M204 PolarHBondContact O-N 2.96Å; K200-M204 VanDerWaalsContact O-N 3.15Å; T201-M204 WeakPolarHBondContact O-CB 2.93Å; T201-M204 PolarHBondContact O-N 3.03Å; T201-M204 VanDerWaalsContact O-N 3.14Å; L202-M204 PolarHBondContact O-N 2.93Å; M204-E206 VanDerWaalsContact C-N 3.34Å; M204-E206 PolarHBondContact O-N 2.8Å; M204-Q207 PolarHBondContact O-N 3.17Å; M204-L208 WeakPolarHBondContact O-CD1 3.45Å; M204-L208 WeakPolarHBondContact O-CG 3.34Å; M204-L208 PolarHBondContact O-N 3.25Å
205M97.2Very high95.7Very high4 Ų476.4 Ų76.42%0.0239%0.387CS..Hα-helixtrans-58.3-46.3174.7-65.7166.562.800111.3L136 F143 V170 I190 T201 L202 Q207 L208 T209L136-M205 HydrophobicContact CD2-CE 3.64Å; F143-M205 HydrophobicContact CB-CE 4.37Å; F143-M205 HydrophobicContact CD1-CB 4.16Å; F143-M205 HydrophobicContact CD1-CE 4.44Å; F143-M205 HydrophobicContact CD1-CG 3.77Å; F143-M205 HydrophobicContact CD2-CE 3.58Å; F143-M205 HydrophobicContact CE1-CB 3.76Å; F143-M205 HydrophobicContact CE1-CG 3.92Å; F143-M205 HydrophobicContact CE2-CB 4.47Å; F143-M205 HydrophobicContact CE2-CE 3.87Å; F143-M205 HydrophobicContact CG-CE 3.87Å; F143-M205 HydrophobicContact CG-CG 4.1Å; F143-M205 HydrophobicContact CZ-CB 3.92Å; F143-M205 HydrophobicContact CZ-CE 4.41Å; F143-M205 HydrophobicContact CZ-CG 4.36Å; V170-M205 HydrophobicContact CG1-CG 3.83Å; I190-M205 HydrophobicContact CD1-CE 3.86Å; T201-M205 HydrophobicContact CG2-CG 4.44Å; T201-M205 HydrophobicContact CG2-SD 4.05Å; T201-M205 WeakPolarHBondContact O-CG 3.4Å; T201-M205 PolarHBondContact O-N 2.94Å; L202-M205 WeakPolarHBondContact O-CA 3.38Å; L202-M205 WeakPolarHBondContact O-CB 3.41Å; L202-M205 PolarHBondContact O-N 3.07Å; M205-Q207 PolarHBondContact O-N 3.01Å; M205-L208 PolarHBondContact O-N 3.26Å; M205-T209 VanDerWaalsContact O-CG2 3.23Å; M205-T209 WeakPolarHBondContact O-CG2 3.22Å; M205-T209 PolarHBondContact O-N 3.17Å
206E96.8Very high95.8Very high111 Ų11175.8 Ų75.852%0.51938%0.377SS..Hα-helixtrans-60.4-29177.2-71172.5157.600113.2L202 M204L202-E206 HydrophobicContact CD1-CG 4.43Å; L202-E206 HydrophobicContact CG-CG 4.37Å; L202-E206 WeakPolarHBondContact O-CG 3.24Å; L202-E206 PolarHBondContact O-N 3.18Å; M204-E206 VanDerWaalsContact C-N 3.34Å; M204-E206 PolarHBondContact O-N 2.8Å
207Q97.4Very high96.1Very high163 Ų16373.4 Ų73.476%0.76237%0.366SS*.Hα-helixtrans-82.2-18.8176.4-74.4175.5-12.200113.6R203 M204 M205R203-Q207 VanDerWaalsContact O-CG 3.27Å; R203-Q207 WeakPolarHBondContact O-CG 3.14Å; R203-Q207 PolarHBondContact O-N 3.31Å; M204-Q207 PolarHBondContact O-N 3.17Å; M205-Q207 PolarHBondContact O-N 3.01Å
208L97.3Very high96.4Very high84 Ų8471.3 Ų71.344%0.4435%0.345SS..Hα-helixtrans-99.7-8.1-174-70169.3000113.1F143 V170 M204 M205F143-L208 HydrophobicContact CE1-CB 4.29Å; V170-L208 HydrophobicContact CG1-CD1 3.88Å; M204-L208 WeakPolarHBondContact O-CD1 3.45Å; M204-L208 WeakPolarHBondContact O-CG 3.34Å; M204-L208 PolarHBondContact O-N 3.25Å; M205-L208 PolarHBondContact O-N 3.26Å
209T96.7Very high96.5Very high17 Ų1774.5 Ų74.510%0.10437%0.366CS..  trans-121.3142.8-177.8-174.80000112.3E141 F143 M205 H211 Y213E141-T209 VanDerWaalsContact OE1-CB 3.3Å; E141-T209 WeakPolarHBondContact OE1-CB 3.35Å; E141-T209 PolarHBondContact OE1-OG1 3Å; E141-T209 PolarHBondContact OE2-OG1 2.81Å; F143-T209 HydrophobicContact CZ-CG2 4.11Å; M205-T209 VanDerWaalsContact O-CG2 3.23Å; M205-T209 WeakPolarHBondContact O-CG2 3.22Å; M205-T209 PolarHBondContact O-N 3.17Å; T209-H211 VanDerWaalsContact C-N 3.32Å; T209-H211 WeakPolarHBondContact OG1-CB 3.48Å; T209-H211 PolarHBondContact OG1-N 3.33Å; T209-Y213 HydrophobicContact CG2-CD2 4.26Å; T209-Y213 HydrophobicContact CG2-CE2 3.97Å
210D95.2Very high96.6Very high172 Ų17273 Ų7392%0.9236%0.36SS*.SBendtrans-88.6-4.1168-65.6-41.5000111.9
211H96.2Very high96.7Very high80 Ų8071.5 Ų71.537%0.3736%0.355SS..SBendtrans-86.1141179.5-61.3-50.8000111.5E141 T209 Y213E141-H211 IonicContact OE1-CD2 3.87Å; E141-H211 PolarHBondContact OE1-CD2 3.09Å; T209-H211 VanDerWaalsContact C-N 3.32Å; T209-H211 WeakPolarHBondContact OG1-CB 3.48Å; T209-H211 PolarHBondContact OG1-N 3.33Å; H211-Y213 HydrophobicContact CB-CE2 3.77Å
212H95.1Very high96.7Very high152 Ų15273.4 Ų73.470%0.70437%0.368SS*.  trans-87.1128.2171.4-17365.1000110.1
213Y96.8Very high96.8Very high21 Ų2172.3 Ų72.38%0.08236%0.363CS..  trans-120.8132.3172.8-61.2-74.4000109.8T138 E141 F143 D188 I190 T209 H211T138-Y213 WeakPolarHBondContact CB-OH 3.16Å; T138-Y213 HydrophobicContact CG2-CE1 4.04Å; T138-Y213 PolarHBondContact OG1-OH 2.98Å; E141-Y213 WeakPolarHBondContact OE1-CE2 3.41Å; E141-Y213 PolarHBondContact OE1-OH 2.74Å; F143-Y213 HydrophobicContact CE2-CE2 4.38Å; D188-Y213 CarbonylContact O-C 3.46Å; D188-Y213 VanDerWaalsContact O-CA 3.26Å; D188-Y213 WeakPolarHBondContact O-CA 3.42Å; I190-Y213 HydrophobicContact CD1-CD1 4.26Å; I190-Y213 HydrophobicContact CD1-CD2 3.98Å; I190-Y213 HydrophobicContact CD1-CG 3.76Å; I190-Y213 HydrophobicContact CG1-CD1 4.39Å; I190-Y213 HydrophobicContact CG1-CG 4.25Å; T209-Y213 HydrophobicContact CG2-CD2 4.26Å; T209-Y213 HydrophobicContact CG2-CE2 3.97Å; H211-Y213 HydrophobicContact CB-CE2 3.77Å
214D96.3Very high96.9Very high94 Ų9464.6 Ų64.650%0.50333%0.334SS..EExtended strand (participates in β ladder)trans-68.3138.4165-71.7-48.2000109.4D188 T189 I190D188-D214 PolarHBondContact O-N 3.35Å; T189-D214 CarbonylContact C-O 3.57Å; T189-D214 VanDerWaalsContact CA-O 3.32Å; T189-D214 WeakPolarHBondContact CA-O 3.12Å; T189-D214 HydrophobicContact CG2-CB 4.46Å; I190-D214 PolarHBondContact N-O 2.73Å
215V97.3Very high97Very high56 Ų5661.8 Ų61.834%0.33932%0.319SS..EExtended strand (participates in β ladder)trans-113.1118.3-179.4-179.70000110.2I190 I192 L202I190-V215 WeakPolarHBondContact O-CA 3.34Å; I192-V215 HydrophobicContact CG2-CG1 3.6Å; L202-V215 HydrophobicContact CD1-CG2 4.09Å; L202-V215 HydrophobicContact CD2-CG1 3.97Å; L202-V215 HydrophobicContact CD2-CG2 4.28Å
216L97.4Very high97Very high17 Ų1761.8 Ų61.89%0.08932%0.32CS..EExtended strand (participates in β ladder)trans-99.799.7168.5-178.563.3000109.5T189 I190 I191 I192 A252 F253 K255 L256T189-L216 HydrophobicContact CG2-CB 4.4Å; I190-L216 PolarHBondContact O-N 3.37Å; I191-L216 WeakPolarHBondContact CA-O 3.35Å; I191-L216 HydrophobicContact CG1-CB 4.24Å; I191-L216 HydrophobicContact CG1-CD2 4.22Å; I192-L216 PolarHBondContact N-O 2.86Å; I192-L216 VanDerWaalsContact N-O 3.08Å; L216-A252 HydrophobicContact CD1-CB 4.23Å; L216-F253 HydrophobicContact CD2-CD1 4.27Å; L216-K255 HydrophobicContact CD1-CD 4.41Å; L216-L256 HydrophobicContact CD2-CD1 3.87Å; L216-L256 HydrophobicContact CD2-CD2 4.45Å; L216-L256 HydrophobicContact CD2-CG 4.19Å
217T97.9Very high97.1Very high68 Ų6856.9 Ų56.942%0.41730%0.297SS..EExtended strand (participates in β ladder)trans-79.8132.9176.5-50.80000111.5I192 N194I192-T217 CarbonylContact O-C 3.54Å; I192-T217 VanDerWaalsContact O-CA 3.27Å; I192-T217 WeakPolarHBondContact O-CA 3.17Å; N194-T217 HydrophobicContact CB-CG2 3.8Å
218V98.1Very high97.2Very high1 Ų149.5 Ų49.51%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-114.9145.5173.3-62.40000111.2I191 I192 S193 N194 E220 A223 A224 A252 F253I191-V218 HydrophobicContact CG2-CG1 3.99Å; I191-V218 HydrophobicContact CG2-CG2 4.35Å; I192-V218 PolarHBondContact O-N 3.46Å; S193-V218 CarbonylContact C-O 3.59Å; S193-V218 WeakPolarHBondContact CA-O 3.33Å; N194-V218 PolarHBondContact N-O 3.15Å; V218-E220 WeakPolarHBondContact CG2-O 3.35Å; V218-A223 HydrophobicContact CB-CB 4.35Å; V218-A223 HydrophobicContact CG2-CB 4.11Å; V218-A224 HydrophobicContact CG2-CB 3.69Å; V218-A252 HydrophobicContact CG1-CB 3.87Å; V218-F253 HydrophobicContact CG1-CE1 4.21Å; V218-F253 HydrophobicContact CG1-CZ 4.05Å
219P97Very high97.2Very high69 Ų6945.6 Ų45.645%0.44824%0.242SC..SBendtrans-71.9-31.9-178.327.5-33.4000113.2D248 S249P219-D248 HydrophobicContact CB-CB 4.43Å; P219-D248 HydrophobicContact CG-CB 3.72Å; P219-D248 WeakPolarHBondContact CG-O 3.21Å; P219-S249 WeakPolarHBondContact CD-OG 3.34Å
220E97Very high97.1Very high41 Ų4147.3 Ų47.319%0.19225%0.247CC..SBendtrans-103.5129.8-175.4-59.5162.2102.300110.9V218 S222 A223 C246 P247 D248 S249V218-E220 WeakPolarHBondContact CG2-O 3.35Å; E220-S222 PolarHBondContact O-N 2.82Å; E220-A223 HydrophobicContact CB-CB 4.37Å; E220-A223 WeakPolarHBondContact O-CB 3.32Å; E220-A223 PolarHBondContact O-N 3.41Å; E220-A223 VanDerWaalsContact O-N 3.09Å; E220-C246 VanDerWaalsContact OE1-CA 3.25Å; E220-C246 WeakPolarHBondContact OE1-CA 3.3Å; E220-C246 WeakPolarHBondContact OE2-CA 3.47Å; E220-C246 VanDerWaalsContact OE2-CB 3.29Å; E220-C246 WeakPolarHBondContact OE2-CB 3.26Å; E220-P247 WeakPolarHBondContact OE1-CD 3.31Å; E220-D248 HydrophobicContact CG-CB 4.3Å; E220-D248 PolarHBondContact OE2-N 3.17Å; E220-D248 VanDerWaalsContact OE2-N 3.09Å; E220-S249 WeakPolarHBondContact CB-OG 3.38Å; E220-S249 PolarHBondContact N-OG 3.42Å; E220-S249 WeakPolarHBondContact OE2-CB 3.37Å; E220-S249 PolarHBondContact OE2-N 2.96Å; E220-S249 PolarHBondContact OE2-OG 2.95Å
221E96.3Very high96.8Very high101 Ų10139.4 Ų39.447%0.47221%0.206SC..G310 helixtrans-60.8-43.8-173.7-175.1170.492.600113.4F181 A223 A224F181-E221 HydrophobicContact CB-CG 3.77Å; E221-A223 PolarHBondContact O-N 2.96Å; E221-A223 VanDerWaalsContact O-N 3.13Å; E221-A224 VanDerWaalsContact O-CB 3.31Å; E221-A224 WeakPolarHBondContact O-CB 3.48Å; E221-A224 PolarHBondContact O-N 3.16Å
222S95.8Very high96Very high46 Ų4641.8 Ų41.832%0.32223%0.229SC..G310 helixtrans-61-23177.948.90000113.4E220 A224 R241 C246E220-S222 PolarHBondContact O-N 2.82Å; S222-A224 VanDerWaalsContact C-N 3.35Å; S222-R241 WeakPolarHBondContact O-CG 3.5Å; S222-C246 PolarHBondContact OG-SG 3.46Å
223A97.9Very high95.1Very high0 Ų038.7 Ų38.70%022%0.224CC..G310 helixtrans-78-18.7175.700000113.2V218 E220 E221 N225 C226 R241 C246 S249 F253V218-A223 HydrophobicContact CB-CB 4.35Å; V218-A223 HydrophobicContact CG2-CB 4.11Å; E220-A223 HydrophobicContact CB-CB 4.37Å; E220-A223 WeakPolarHBondContact O-CB 3.32Å; E220-A223 PolarHBondContact O-N 3.41Å; E220-A223 VanDerWaalsContact O-N 3.09Å; E221-A223 PolarHBondContact O-N 2.96Å; E221-A223 VanDerWaalsContact O-N 3.13Å; A223-N225 PolarHBondContact O-N 3.39Å; A223-C226 PolarHBondContact O-SG 2.62Å; A223-C226 VanDerWaalsContact O-SG 3.37Å; A223-R241 HydrophobicContact CB-CG 4.39Å; A223-C246 HydrophobicContact CB-CB 3.96Å; A223-S249 WeakPolarHBondContact CB-OG 3.47Å; A223-F253 HydrophobicContact CB-CE2 4.34Å; A223-F253 HydrophobicContact CB-CZ 4.19Å; A223-F253 WeakPolarHBondContact O-CZ 3.42Å
224A98.2Very high94.1Very high0 Ų047.3 Ų47.30%026%0.262CS..SBendtrans-74.4-17.7-174.100000113.6F181 C182 S183 V218 E221 S222F181-A224 VanDerWaalsContact C-CB 3.44Å; F181-A224 WeakPolarHBondContact O-CB 3.15Å; C182-A224 CarbonylContact C-O 3.55Å; C182-A224 VanDerWaalsContact C-O 3.32Å; S183-A224 PolarHBondContact N-O 2.91Å; S183-A224 PolarHBondContact OG-O 3.05Å; V218-A224 HydrophobicContact CG2-CB 3.69Å; E221-A224 VanDerWaalsContact O-CB 3.31Å; E221-A224 WeakPolarHBondContact O-CB 3.48Å; E221-A224 PolarHBondContact O-N 3.16Å; S222-A224 VanDerWaalsContact C-N 3.35Å
225N98.6Very high93.7Very high0 Ų050 Ų500%027%0.265CS..  trans-94.6108.9172.3-173.9-88.5000110.7K179 A223 S275 L276 S277K179-N225 WeakPolarHBondContact O-CB 3.43Å; K179-N225 PolarHBondContact O-ND2 2.93Å; A223-N225 PolarHBondContact O-N 3.39Å; N225-S275 VanDerWaalsContact CB-CB 3.46Å; N225-S275 VanDerWaalsContact OD1-CB 3.23Å; N225-S275 WeakPolarHBondContact OD1-CB 3.2Å; N225-L276 PolarHBondContact OD1-N 2.81Å; N225-S277 PolarHBondContact ND2-OG 3.13Å; N225-S277 PolarHBondContact OD1-N 3.02Å; N225-S277 PolarHBondContact OD1-OG 2.94Å
226C98.5Very high93.6Very high5 Ų548.5 Ų48.53%0.03426%0.255CS..  trans-122.2167176.9-66.40000109.9S183 I191 A223 L238 L239S183-C226 PolarHBondContact OG-N 3.49Å; I191-C226 HydrophobicContact CD1-CB 3.96Å; A223-C226 PolarHBondContact O-SG 2.62Å; A223-C226 VanDerWaalsContact O-SG 3.37Å; C226-L238 HydrophobicContact CB-CD1 3.69Å; C226-L238 HydrophobicContact CB-CG 4.17Å; C226-L239 VanDerWaalsContact CA-O 3.27Å; C226-L239 WeakPolarHBondContact CA-O 3.49Å; C226-L239 VanDerWaalsContact CB-O 3.29Å; C226-L239 WeakPolarHBondContact CB-O 3.47Å
227I98.6Very high93.6Very high8 Ų849 Ų494%0.04126%0.257CS..EExtended strand (participates in β ladder)trans-116.1109.4171.1-59164000108.3L49 V229 L239 L276 L282L49-I227 HydrophobicContact CD1-CD1 4.02Å; I227-V229 HydrophobicContact CG2-CG2 4.16Å; I227-L239 HydrophobicContact CB-CB 4.17Å; I227-L239 HydrophobicContact CD1-CD2 4.47Å; I227-L239 PolarHBondContact N-O 3.18Å; I227-L239 PolarHBondContact O-N 3.05Å; I227-L276 HydrophobicContact CD1-CB 4.24Å; I227-L276 HydrophobicContact CG1-CB 4.41Å; I227-L282 HydrophobicContact CG2-CD1 3.63Å
228Y98.2Very high93.6Very high7 Ų745.8 Ų45.83%0.02724%0.237CC..EExtended strand (participates in β ladder)trans-85.9131.4171.6170.3-107.9000110.9Y7 M184 P187 R230 D236 Y259Y7-Y228 AromaticContact CD1-CD1 3.78Å; Y7-Y228 HydrophobicContact CD1-CD1 3.78Å; Y7-Y228 AromaticContact CD1-CE1 3.79Å; Y7-Y228 HydrophobicContact CD1-CE1 3.79Å; Y7-Y228 AromaticContact CE1-CD1 3.63Å; Y7-Y228 HydrophobicContact CE1-CD1 3.63Å; Y7-Y228 HydrophobicContact CE1-CE1 4.14Å; M184-Y228 WeakPolarHBondContact O-CB 3.36Å; P187-Y228 WeakPolarHBondContact CD-OH 3.47Å; P187-Y228 HydrophobicContact CG-CE1 4.41Å; P187-Y228 WeakPolarHBondContact CG-OH 3.45Å; Y228-R230 HydrophobicContact CE1-CB 4.33Å; Y228-D236 HydrophobicContact CD2-CB 4.44Å; Y228-D236 HydrophobicContact CE2-CB 3.54Å; Y228-D236 WeakPolarHBondContact CE2-OD2 3.38Å; Y228-D236 VanDerWaalsContact OH-CG 3.27Å; Y228-D236 PolarHBondContact OH-OD2 3.11Å; Y228-Y259 HydrophobicContact CD2-CD1 4.35Å; Y228-Y259 AromaticContact CD2-CE1 3.56Å; Y228-Y259 HydrophobicContact CD2-CE1 3.56Å; Y228-Y259 HydrophobicContact CE2-CD1 4.37Å; Y228-Y259 AromaticContact CE2-CE1 3.48Å; Y228-Y259 HydrophobicContact CE2-CE1 3.48Å; Y228-Y259 VanDerWaalsContact CE2-CE1 3.48Å
229V97.6Very high93.6Very high3 Ų345.7 Ų45.72%0.01824%0.237CC..EExtended strand (participates in β ladder)trans-132.2123.5169-176.70000109.3F10 V57 I227 G231 F237 L282F10-V229 HydrophobicContact CD2-CG1 4.12Å; F10-V229 HydrophobicContact CD2-CG2 4.14Å; V57-V229 HydrophobicContact CG1-CB 3.85Å; V57-V229 HydrophobicContact CG1-CG1 3.51Å; V57-V229 HydrophobicContact CG1-CG2 4.16Å; I227-V229 HydrophobicContact CG2-CG2 4.16Å; V229-G231 PolarHBondContact O-N 3.4Å; V229-F237 HydrophobicContact CB-CB 4.41Å; V229-F237 PolarHBondContact N-O 3.19Å; V229-F237 PolarHBondContact O-N 2.84Å; V229-L282 HydrophobicContact CG2-CD1 4.28Å
230R94.8Very high93.6Very high52 Ų5242.9 Ų42.920%0.19622%0.217CC..  trans-66.2126.1171.8172.7161.9-75.6139.5-17.9110P6 Y7 G8 R9 Y228 D236P6-R230 PolarHBondContact O-NH1 2.94Å; P6-R230 VanDerWaalsContact O-NH1 3.16Å; Y7-R230 VanDerWaalsContact N-NH1 3.13Å; Y7-R230 PolarHBondContact O-NH1 2.88Å; G8-R230 PolarHBondContact O-N 3.18Å; R9-R230 HydrophobicContact CG-CB 4Å; R9-R230 HydrophobicContact CG-CG 3.94Å; Y228-R230 HydrophobicContact CE1-CB 4.33Å; R230-D236 VanDerWaalsContact CA-OD1 3.32Å; R230-D236 WeakPolarHBondContact CA-OD1 3.44Å
231G89.9Confident93.7Very high6 Ų641.2 Ų41.26%0.06221%0.209CC..  trans-75.9162.9178.100000113V229 S233 R235 D236V229-G231 PolarHBondContact O-N 3.4Å; G231-S233 PolarHBondContact O-N 3.12Å; G231-R235 WeakPolarHBondContact CA-O 3.49Å; G231-D236 PolarHBondContact N-OD1 3.01Å
232P79.6Confident93.7Very high131 Ų13136.9 Ų36.985%0.85119%0.19SC*.SBendtrans-73.2-11.3172.930.4-35.1000113.1
233S75.9Confident93.8Very high87 Ų8737 Ų3761%0.60819%0.193SC*.SBendtrans-122.1-161.2-176.774.10000110.8G231 R235G231-S233 PolarHBondContact O-N 3.12Å; S233-R235 PolarHBondContact O-N 3.5Å
234K75.1Confident93.8Very high202 Ų20244.8 Ų44.888%0.87823%0.23SC*.SBendtrans-73-2.3-178.8-69.3-171177.8-175.50115.1
235R87.6Confident93.7Very high149 Ų14946.7 Ų46.756%0.56224%0.239SC*.  trans-117.8127.3179.8-69.4-170.3179.5-155.2-2.1110.7G231 S233 D258G231-R235 WeakPolarHBondContact CA-O 3.49Å; S233-R235 PolarHBondContact O-N 3.5Å; R235-D258 WeakPolarHBondContact CA-O 3.25Å
236D94.8Very high93.7Very high26 Ų2646.7 Ų46.714%0.13924%0.239CC..EExtended strand (participates in β ladder)trans-87.2167.9172.1-68.7-21.8000110.6Y228 R230 G231 D258 Y259 T260Y228-D236 HydrophobicContact CD2-CB 4.44Å; Y228-D236 HydrophobicContact CE2-CB 3.54Å; Y228-D236 WeakPolarHBondContact CE2-OD2 3.38Å; Y228-D236 VanDerWaalsContact OH-CG 3.27Å; Y228-D236 PolarHBondContact OH-OD2 3.11Å; R230-D236 VanDerWaalsContact CA-OD1 3.32Å; R230-D236 WeakPolarHBondContact CA-OD1 3.44Å; G231-D236 PolarHBondContact N-OD1 3.01Å; D236-D258 PolarHBondContact N-O 3.07Å; D236-Y259 HydrophobicContact CB-CD1 3.96Å; D236-Y259 HydrophobicContact CB-CE1 4Å; D236-Y259 CarbonylContact O-C 3.51Å; D236-Y259 WeakPolarHBondContact O-CA 3.5Å; D236-T260 PolarHBondContact O-N 3.24Å
237F97.4Very high93.6Very high27 Ų2750.2 Ų50.212%0.11826%0.261CS..EExtended strand (participates in β ladder)trans-114136.7177.8-59.4-89.3000109.7K56 V57 V229 T260 L262K56-F237 WeakPolarHBondContact O-CE1 3.33Å; K56-F237 WeakPolarHBondContact O-CZ 3.32Å; V57-F237 HydrophobicContact CG1-CD2 4.08Å; V57-F237 HydrophobicContact CG1-CE2 4.48Å; V57-F237 HydrophobicContact CG1-CG 4.41Å; V57-F237 HydrophobicContact CG2-CB 4.04Å; V57-F237 HydrophobicContact CG2-CD1 4.19Å; V57-F237 HydrophobicContact CG2-CD2 4.45Å; V57-F237 HydrophobicContact CG2-CG 3.99Å; V229-F237 HydrophobicContact CB-CB 4.41Å; V229-F237 PolarHBondContact N-O 3.19Å; V229-F237 PolarHBondContact O-N 2.84Å; F237-T260 WeakPolarHBondContact CA-O 3.39Å; F237-T260 HydrophobicContact CD1-CG2 3.86Å; F237-T260 HydrophobicContact CE1-CG2 3.99Å; F237-L262 HydrophobicContact CB-CD1 4.37Å; F237-L262 HydrophobicContact CD1-CD1 3.92Å; F237-L262 HydrophobicContact CD1-CG 4.47Å
238L98.1Very high93.6Very high0 Ų055.1 Ų55.10%029%0.288CS..EExtended strand (participates in β ladder)trans-127.6111.4170.1-171.171.8000108.8I191 C226 F253 L256 Y259 T260 L261 L262I191-L238 HydrophobicContact CD1-CD1 4.23Å; I191-L238 HydrophobicContact CD1-CD2 4.13Å; C226-L238 HydrophobicContact CB-CD1 3.69Å; C226-L238 HydrophobicContact CB-CG 4.17Å; L238-F253 HydrophobicContact CD2-CD1 3.9Å; L238-F253 HydrophobicContact CD2-CE1 4.36Å; L238-L256 HydrophobicContact CD2-CD1 3.64Å; L238-Y259 HydrophobicContact CB-CD1 3.88Å; L238-T260 PolarHBondContact N-O 3.06Å; L238-T260 VanDerWaalsContact N-O 3.12Å; L238-L261 HydrophobicContact CB-CD2 4.05Å; L238-L261 HydrophobicContact CD2-CD2 4.12Å; L238-L262 PolarHBondContact O-N 3.26Å
239L98.5Very high93.5Very high0 Ų054.8 Ų54.80%029%0.286CS..EExtended strand (participates in β ladder)trans-81.9122.4168.1-67.569.8000107.5L49 A52 L53 V57 C226 I227 L262L49-L239 HydrophobicContact CD1-CD2 3.68Å; A52-L239 HydrophobicContact CB-CD2 4.03Å; L53-L239 HydrophobicContact CD2-CD2 4.05Å; L53-L239 HydrophobicContact CG-CD2 4.34Å; V57-L239 HydrophobicContact CG2-CD1 4.05Å; C226-L239 VanDerWaalsContact CA-O 3.27Å; C226-L239 WeakPolarHBondContact CA-O 3.49Å; C226-L239 VanDerWaalsContact CB-O 3.29Å; C226-L239 WeakPolarHBondContact CB-O 3.47Å; I227-L239 HydrophobicContact CB-CB 4.17Å; I227-L239 HydrophobicContact CD1-CD2 4.47Å; I227-L239 PolarHBondContact N-O 3.18Å; I227-L239 PolarHBondContact O-N 3.05Å; L239-L262 WeakPolarHBondContact CA-O 3.42Å; L239-L262 HydrophobicContact CD1-CB 4.37Å; L239-L262 HydrophobicContact CD1-CD1 3.87Å; L239-L262 HydrophobicContact CG-CB 3.97Å; L239-L262 HydrophobicContact CG-CD1 4.21Å
240H98.1Very high93.3Very high9 Ų956.4 Ų56.44%0.04230%0.297CS..EExtended strand (participates in β ladder)trans-136.7166.6-176.970.985.9000110.5F253 L262 P263 T264H240-F253 HydrophobicContact CB-CD1 4.39Å; H240-F253 HydrophobicContact CB-CD2 4.14Å; H240-F253 HydrophobicContact CB-CE1 4.18Å; H240-F253 HydrophobicContact CB-CE2 3.92Å; H240-F253 HydrophobicContact CB-CG 4.37Å; H240-F253 HydrophobicContact CB-CZ 3.94Å; H240-F253 AromaticContact CG-CD2 3.85Å; H240-F253 AromaticContact ND1-CD2 3.58Å; H240-F253 AromaticContact ND1-CE2 3.81Å; H240-L262 PolarHBondContact N-O 3.42Å; H240-P263 CarbonylContact O-C 3.56Å; H240-P263 WeakPolarHBondContact O-CA 3.43Å; H240-T264 PolarHBondContact O-N 2.96Å
241R97.8Very high93.2Very high6 Ų657.3 Ų57.32%0.02331%0.311CS..  trans-63.4136.6177.7-58.2-59.1-67.1-157.1-19111.6S222 A223 E245 C246 C266 S267 S270 L276S222-R241 WeakPolarHBondContact O-CG 3.5Å; A223-R241 HydrophobicContact CB-CG 4.39Å; R241-E245 IonicContact CZ-OE2 3.48Å; R241-E245 IonicContact NE-OE2 2.65Å; R241-E245 PolarHBondContact NE-OE2 3.17Å; R241-E245 IonicContact NH1-OE2 3.96Å; R241-E245 IonicContact NH2-OE1 3.13Å; R241-E245 IonicContact NH2-OE2 3.56Å; R241-E245 PolarHBondContact NH2-OE2 2.81Å; R241-C246 HydrophobicContact CB-CB 3.8Å; R241-C246 WeakPolarHBondContact CB-SG 3.43Å; R241-C266 VanDerWaalsContact NH1-CA 3.28Å; R241-C266 PolarHBondContact NH1-SG 3.13Å; R241-S267 VanDerWaalsContact NH2-N 3.18Å; R241-S270 PolarHBondContact NH2-OG 3.36Å; R241-L276 HydrophobicContact CG-CD1 4.5Å
242P97.7Very high93.4Very high11 Ų1157.1 Ų57.17%0.07131%0.309CS..  trans-75.7163.5-179.438.2-41000111E244 E245 C246 P263 T264 A265P242-E244 WeakPolarHBondContact CB-OE2 3.02Å; P242-E244 PolarHBondContact O-N 3.2Å; P242-E245 WeakPolarHBondContact CD-OE2 3.34Å; P242-E245 HydrophobicContact CG-CB 4.14Å; P242-E245 HydrophobicContact CG-CG 3.93Å; P242-E245 PolarHBondContact O-N 3.48Å; P242-C246 PolarHBondContact O-N 3.11Å; P242-P263 HydrophobicContact CB-CB 3.8Å; P242-T264 WeakPolarHBondContact CD-O 3.32Å; P242-A265 HydrophobicContact CG-CB 4.02Å
243A97.4Very high94.1Very high47 Ų4751 Ų5139%0.38827%0.268SS..THydrogen-bonded Turntrans-61.1-28.8-17600000113E245 P247 V250A243-E245 PolarHBondContact O-N 2.56Å; A243-P247 VanDerWaalsContact O-CA 3.32Å; A243-P247 WeakPolarHBondContact O-CA 3.12Å; A243-P247 WeakPolarHBondContact O-CB 3.46Å; A243-P247 VanDerWaalsContact O-CD 3.29Å; A243-P247 WeakPolarHBondContact O-CD 3.25Å; A243-V250 HydrophobicContact CB-CG2 3.65Å
244E97.5Very high94.7Very high165 Ų16553.3 Ų53.377%0.77127%0.27SS*.THydrogen-bonded Turntrans-69.1-20.8177.3-59.777.6-171.500112.7P242P242-E244 WeakPolarHBondContact CB-OE2 3.02Å; P242-E244 PolarHBondContact O-N 3.2Å
245E97.2Very high95.3Very high40 Ų4050.6 Ų50.619%0.18726%0.258CS..THydrogen-bonded Turntrans-106.5-32.4178.4-64.9-176.4158.400112.5Q45 R241 P242 A243 A265 C266 S267Q45-E245 PolarHBondContact NE2-OE1 3.28Å; R241-E245 IonicContact CZ-OE2 3.48Å; R241-E245 IonicContact NE-OE2 2.65Å; R241-E245 PolarHBondContact NE-OE2 3.17Å; R241-E245 IonicContact NH1-OE2 3.96Å; R241-E245 IonicContact NH2-OE1 3.13Å; R241-E245 IonicContact NH2-OE2 3.56Å; R241-E245 PolarHBondContact NH2-OE2 2.81Å; P242-E245 WeakPolarHBondContact CD-OE2 3.34Å; P242-E245 HydrophobicContact CG-CB 4.14Å; P242-E245 HydrophobicContact CG-CG 3.93Å; P242-E245 PolarHBondContact O-N 3.48Å; A243-E245 PolarHBondContact O-N 2.56Å; E245-A265 WeakPolarHBondContact OE1-CB 3.5Å; E245-A265 WeakPolarHBondContact OE2-CA 3.44Å; E245-C266 PolarHBondContact OE1-N 3.27Å; E245-C266 PolarHBondContact OE2-N 2.95Å; E245-S267 WeakPolarHBondContact OE1-CB 3.4Å; E245-S267 PolarHBondContact OE1-N 3.32Å; E245-S267 PolarHBondContact OE1-OG 3.48Å
246C97.7Very high95.3Very high0 Ų044.7 Ų44.70%024%0.237CC..  trans-140.168.8-177.7-61.70000112.2E220 S222 A223 R241 P242 D248 S249 V250E220-C246 VanDerWaalsContact OE1-CA 3.25Å; E220-C246 WeakPolarHBondContact OE1-CA 3.3Å; E220-C246 WeakPolarHBondContact OE2-CA 3.47Å; E220-C246 VanDerWaalsContact OE2-CB 3.29Å; E220-C246 WeakPolarHBondContact OE2-CB 3.26Å; S222-C246 PolarHBondContact OG-SG 3.46Å; A223-C246 HydrophobicContact CB-CB 3.96Å; R241-C246 HydrophobicContact CB-CB 3.8Å; R241-C246 WeakPolarHBondContact CB-SG 3.43Å; P242-C246 PolarHBondContact O-N 3.11Å; C246-D248 VanDerWaalsContact C-N 3.34Å; C246-D248 PolarHBondContact O-N 3.37Å; C246-S249 PolarHBondContact O-N 2.9Å; C246-V250 WeakPolarHBondContact O-CG2 3.36Å
247P97.3Very high94.4Very high78 Ų7848.2 Ų48.251%0.50626%0.262SS..THydrogen-bonded Turntrans-63.4-36.4-173.123.9-34.1000113.4E220 A243 S249E220-P247 WeakPolarHBondContact OE1-CD 3.31Å; A243-P247 VanDerWaalsContact O-CA 3.32Å; A243-P247 WeakPolarHBondContact O-CA 3.12Å; A243-P247 WeakPolarHBondContact O-CB 3.46Å; A243-P247 VanDerWaalsContact O-CD 3.29Å; A243-P247 WeakPolarHBondContact O-CD 3.25Å; P247-S249 VanDerWaalsContact C-N 3.28Å; P247-S249 PolarHBondContact O-N 3.43Å
248D97.4Very high94Very high111 Ų11152.3 Ų52.359%0.59429%0.285SS*.THydrogen-bonded Turntrans-75.7-21.8-174.7-65-26.1000112P219 E220 C246P219-D248 HydrophobicContact CB-CB 4.43Å; P219-D248 HydrophobicContact CG-CB 3.72Å; P219-D248 WeakPolarHBondContact CG-O 3.21Å; E220-D248 HydrophobicContact CG-CB 4.3Å; E220-D248 PolarHBondContact OE2-N 3.17Å; E220-D248 VanDerWaalsContact OE2-N 3.09Å; C246-D248 VanDerWaalsContact C-N 3.34Å; C246-D248 PolarHBondContact O-N 3.37Å
249S97Very high93.8Very high0 Ų053.9 Ų53.90%029%0.291CS..THydrogen-bonded Turntrans-88-14.4-178.1-54.10000114.1P219 E220 A223 C246 P247 S251 A252 F253P219-S249 WeakPolarHBondContact CD-OG 3.34Å; E220-S249 WeakPolarHBondContact CB-OG 3.38Å; E220-S249 PolarHBondContact N-OG 3.42Å; E220-S249 WeakPolarHBondContact OE2-CB 3.37Å; E220-S249 PolarHBondContact OE2-N 2.96Å; E220-S249 PolarHBondContact OE2-OG 2.95Å; A223-S249 WeakPolarHBondContact CB-OG 3.47Å; C246-S249 PolarHBondContact O-N 2.9Å; P247-S249 VanDerWaalsContact C-N 3.28Å; P247-S249 PolarHBondContact O-N 3.43Å; S249-S251 VanDerWaalsContact C-N 3.29Å; S249-S251 PolarHBondContact O-N 3.32Å; S249-A252 WeakPolarHBondContact O-CB 3.3Å; S249-A252 PolarHBondContact O-N 3.28Å; S249-F253 WeakPolarHBondContact O-CD2 3.38Å
250V92.3Very high93.7Very high38 Ų3855.9 Ų55.923%0.2330%0.304CS..Hα-helixtrans-57.3-42.5-177179.50000111.9A243 C246 A252 F253 Q254A243-V250 HydrophobicContact CB-CG2 3.65Å; C246-V250 WeakPolarHBondContact O-CG2 3.36Å; V250-A252 PolarHBondContact O-N 3.41Å; V250-F253 PolarHBondContact O-N 3.25Å; V250-Q254 PolarHBondContact O-N 3.13Å
251S92.8Very high93.6Very high70 Ų7058 Ų5849%0.4932%0.315SS..Hα-helixtrans-64-26.3-178.9680000113.2S249S249-S251 VanDerWaalsContact C-N 3.29Å; S249-S251 PolarHBondContact O-N 3.32Å
252A94.9Very high93.6Very high3 Ų358.9 Ų58.93%0.02532%0.32CS..Hα-helixtrans-68.5-43176.600000111L216 V218 S249 V250 Q254 K255L216-A252 HydrophobicContact CD1-CB 4.23Å; V218-A252 HydrophobicContact CG1-CB 3.87Å; S249-A252 WeakPolarHBondContact O-CB 3.3Å; S249-A252 PolarHBondContact O-N 3.28Å; V250-A252 PolarHBondContact O-N 3.41Å; A252-Q254 VanDerWaalsContact C-N 3.33Å; A252-Q254 PolarHBondContact O-N 3.42Å; A252-K255 VanDerWaalsContact O-CB 3.32Å; A252-K255 WeakPolarHBondContact O-CB 3.44Å; A252-K255 WeakPolarHBondContact O-CG 3.36Å; A252-K255 PolarHBondContact O-N 3.28Å
253F93.5Very high93.6Very high1 Ų162.4 Ų62.40%0.00434%0.343CS..Hα-helixtrans-70.5-27.6179.9-56.6-58.8000113.3I191 L216 V218 A223 L238 H240 S249 V250 K255 L256 L261I191-F253 HydrophobicContact CD1-CE1 4.18Å; I191-F253 HydrophobicContact CG2-CE1 4.43Å; L216-F253 HydrophobicContact CD2-CD1 4.27Å; V218-F253 HydrophobicContact CG1-CE1 4.21Å; V218-F253 HydrophobicContact CG1-CZ 4.05Å; A223-F253 HydrophobicContact CB-CE2 4.34Å; A223-F253 HydrophobicContact CB-CZ 4.19Å; A223-F253 WeakPolarHBondContact O-CZ 3.42Å; L238-F253 HydrophobicContact CD2-CD1 3.9Å; L238-F253 HydrophobicContact CD2-CE1 4.36Å; H240-F253 HydrophobicContact CB-CD1 4.39Å; H240-F253 HydrophobicContact CB-CD2 4.14Å; H240-F253 HydrophobicContact CB-CE1 4.18Å; H240-F253 HydrophobicContact CB-CE2 3.92Å; H240-F253 HydrophobicContact CB-CG 4.37Å; H240-F253 HydrophobicContact CB-CZ 3.94Å; H240-F253 AromaticContact CG-CD2 3.85Å; H240-F253 AromaticContact ND1-CD2 3.58Å; H240-F253 AromaticContact ND1-CE2 3.81Å; S249-F253 WeakPolarHBondContact O-CD2 3.38Å; V250-F253 PolarHBondContact O-N 3.25Å; F253-K255 PolarHBondContact O-N 3.2Å; F253-K255 VanDerWaalsContact O-N 3.08Å; F253-L256 WeakPolarHBondContact O-CB 3.44Å; F253-L256 PolarHBondContact O-N 2.82Å; F253-L261 HydrophobicContact CB-CD1 3.99Å; F253-L261 HydrophobicContact CB-CD2 4.3Å
254Q89Confident93.6Very high136 Ų13660.3 Ų60.364%0.63633%0.325SS*.THydrogen-bonded Turntrans-61.8-16.2174.9-69.6174.2-14.400113.3V250 A252 L256V250-Q254 PolarHBondContact O-N 3.13Å; A252-Q254 VanDerWaalsContact C-N 3.33Å; A252-Q254 PolarHBondContact O-N 3.42Å; Q254-L256 PolarHBondContact O-N 2.91Å
255K87.3Confident93.6Very high146 Ų14653.7 Ų53.764%0.63530%0.299SS*.THydrogen-bonded Turntrans-75.2-2.6173.4-56.5174.6-175.2173.60113.5L216 A252 F253 P257L216-K255 HydrophobicContact CD1-CD 4.41Å; A252-K255 VanDerWaalsContact O-CB 3.32Å; A252-K255 WeakPolarHBondContact O-CB 3.44Å; A252-K255 WeakPolarHBondContact O-CG 3.36Å; A252-K255 PolarHBondContact O-N 3.28Å; F253-K255 PolarHBondContact O-N 3.2Å; F253-K255 VanDerWaalsContact O-N 3.08Å; K255-P257 WeakPolarHBondContact O-CD 3.26Å
256L86.8Confident93.6Very high24 Ų2451.9 Ų51.913%0.12629%0.291CS..  trans-105.671.9178.3-59.1176.7000110.4L216 L238 F253 Q254 D258 Y259L216-L256 HydrophobicContact CD2-CD1 3.87Å; L216-L256 HydrophobicContact CD2-CD2 4.45Å; L216-L256 HydrophobicContact CD2-CG 4.19Å; L238-L256 HydrophobicContact CD2-CD1 3.64Å; F253-L256 WeakPolarHBondContact O-CB 3.44Å; F253-L256 PolarHBondContact O-N 2.82Å; Q254-L256 PolarHBondContact O-N 2.91Å; L256-D258 PolarHBondContact O-N 2.89Å; L256-Y259 HydrophobicContact CB-CD2 3.63Å; L256-Y259 HydrophobicContact CB-CE2 4.17Å; L256-Y259 HydrophobicContact CB-CG 4.08Å; L256-Y259 HydrophobicContact CD2-CE2 4.3Å; L256-Y259 PolarHBondContact O-N 3.41Å
257P77.7Confident93.6Very high101 Ų10153 Ų5366%0.65630%0.299SS*.THydrogen-bonded Turntrans-67.6-21.9-169.128.4-37.6000114.3K255 Y259K255-P257 WeakPolarHBondContact O-CD 3.26Å; P257-Y259 VanDerWaalsContact C-N 3.26Å; P257-Y259 PolarHBondContact O-N 2.72Å
258D87.6Confident93.6Very high112 Ų11249.4 Ų49.460%0.59928%0.275SS*.THydrogen-bonded Turntrans-86.43.9-178.3-64.1-43.4000113.5R235 D236 L256R235-D258 WeakPolarHBondContact CA-O 3.25Å; D236-D258 PolarHBondContact N-O 3.07Å; L256-D258 PolarHBondContact O-N 2.89Å
259Y94Very high93.5Very high33 Ų3344.4 Ų44.413%0.12925%0.249CC..EExtended strand (participates in β ladder)trans-105138.3-176.4-68.7-113000111.2G185 G186 Y228 D236 L238 L256 P257 L261G185-Y259 WeakPolarHBondContact O-CE1 3.27Å; G185-Y259 PolarHBondContact O-OH 2.99Å; G186-Y259 VanDerWaalsContact CA-OH 3.31Å; G186-Y259 WeakPolarHBondContact CA-OH 3.39Å; Y228-Y259 HydrophobicContact CD2-CD1 4.35Å; Y228-Y259 AromaticContact CD2-CE1 3.56Å; Y228-Y259 HydrophobicContact CD2-CE1 3.56Å; Y228-Y259 HydrophobicContact CE2-CD1 4.37Å; Y228-Y259 AromaticContact CE2-CE1 3.48Å; Y228-Y259 HydrophobicContact CE2-CE1 3.48Å; Y228-Y259 VanDerWaalsContact CE2-CE1 3.48Å; D236-Y259 HydrophobicContact CB-CD1 3.96Å; D236-Y259 HydrophobicContact CB-CE1 4Å; D236-Y259 CarbonylContact O-C 3.51Å; D236-Y259 WeakPolarHBondContact O-CA 3.5Å; L238-Y259 HydrophobicContact CB-CD1 3.88Å; L256-Y259 HydrophobicContact CB-CD2 3.63Å; L256-Y259 HydrophobicContact CB-CE2 4.17Å; L256-Y259 HydrophobicContact CB-CG 4.08Å; L256-Y259 HydrophobicContact CD2-CE2 4.3Å; L256-Y259 PolarHBondContact O-N 3.41Å; P257-Y259 VanDerWaalsContact C-N 3.26Å; P257-Y259 PolarHBondContact O-N 2.72Å; Y259-L261 PolarHBondContact O-N 2.94Å
260T95.8Very high93.5Very high43 Ų4346.1 Ų46.126%0.26426%0.261SS..EExtended strand (participates in β ladder)trans-77.8101.2157.1-57.70000107.9D236 F237 L238 L262D236-T260 PolarHBondContact O-N 3.24Å; F237-T260 WeakPolarHBondContact CA-O 3.39Å; F237-T260 HydrophobicContact CD1-CG2 3.86Å; F237-T260 HydrophobicContact CE1-CG2 3.99Å; L238-T260 PolarHBondContact N-O 3.06Å; L238-T260 VanDerWaalsContact N-O 3.12Å; T260-L262 HydrophobicContact CG2-CD2 3.99Å; T260-L262 HydrophobicContact CG2-CG 4.38Å
261L96.6Very high93.6Very high54 Ų5448.8 Ų48.828%0.28327%0.269SS..EExtended strand (participates in β ladder)trans-74.5127.5175.9-60.4-176.4000110.3L238 F253 Y259 P263L238-L261 HydrophobicContact CB-CD2 4.05Å; L238-L261 HydrophobicContact CD2-CD2 4.12Å; F253-L261 HydrophobicContact CB-CD1 3.99Å; F253-L261 HydrophobicContact CB-CD2 4.3Å; Y259-L261 PolarHBondContact O-N 2.94Å; L261-P263 WeakPolarHBondContact O-CD 3.44Å
262L97.4Very high93.6Very high23 Ų2347.6 Ų47.612%0.1226%0.257CS..EExtended strand (participates in β ladder)trans-119.591.3-178-64.5-179.5000110.2K56 V57 F237 L238 L239 H240 T260 T264K56-L262 HydrophobicContact CB-CD1 3.89Å; K56-L262 HydrophobicContact CB-CD2 4.07Å; K56-L262 HydrophobicContact CG-CD2 4.3Å; V57-L262 HydrophobicContact CG2-CD1 3.74Å; F237-L262 HydrophobicContact CB-CD1 4.37Å; F237-L262 HydrophobicContact CD1-CD1 3.92Å; F237-L262 HydrophobicContact CD1-CG 4.47Å; L238-L262 PolarHBondContact O-N 3.26Å; L239-L262 WeakPolarHBondContact CA-O 3.42Å; L239-L262 HydrophobicContact CD1-CB 4.37Å; L239-L262 HydrophobicContact CD1-CD1 3.87Å; L239-L262 HydrophobicContact CG-CB 3.97Å; L239-L262 HydrophobicContact CG-CD1 4.21Å; H240-L262 PolarHBondContact N-O 3.42Å; T260-L262 HydrophobicContact CG2-CD2 3.99Å; T260-L262 HydrophobicContact CG2-CG 4.38Å; L262-T264 PolarHBondContact O-N 2.93Å; L262-T264 VanDerWaalsContact O-N 3.14Å; L262-T264 PolarHBondContact O-OG1 3.09Å
263P97.7Very high93.4Very high85 Ų8549 Ų4955%0.55227%0.272SS*.EExtended strand (participates in β ladder)trans-57.7118.8176.5-23.533.7000110.9H240 P242 L261H240-P263 CarbonylContact O-C 3.56Å; H240-P263 WeakPolarHBondContact O-CA 3.43Å; P242-P263 HydrophobicContact CB-CB 3.8Å; L261-P263 WeakPolarHBondContact O-CD 3.44Å
264T98.4Very high93.5Very high3 Ų349 Ų492%0.01827%0.272CS..  trans-134.6112.3-173.8-53.50000109.6L49 H240 P242 L262 L276L49-T264 HydrophobicContact CB-CG2 3.94Å; L49-T264 HydrophobicContact CD1-CG2 3.92Å; H240-T264 PolarHBondContact O-N 2.96Å; P242-T264 WeakPolarHBondContact CD-O 3.32Å; L262-T264 PolarHBondContact O-N 2.93Å; L262-T264 VanDerWaalsContact O-N 3.14Å; L262-T264 PolarHBondContact O-OG1 3.09Å; T264-L276 HydrophobicContact CG2-CD2 3.79Å; T264-L276 WeakPolarHBondContact O-CD2 3.42Å
265A98.1Very high93.8Very high27 Ų2742.9 Ų42.922%0.22325%0.245CC..  trans-77.1139.4-179.100000111.5Q45 P242 E245Q45-A265 WeakPolarHBondContact CB-O 3.49Å; Q45-A265 HydrophobicContact CG-CB 3.93Å; P242-A265 HydrophobicContact CG-CB 4.02Å; E245-A265 WeakPolarHBondContact OE1-CB 3.5Å; E245-A265 WeakPolarHBondContact OE2-CA 3.44Å
266C96.9Very high94.3Very high2 Ų236 Ų361%0.01422%0.215CC..  trans-148.331.7165.897.80000113.3R241 E245 E268 A269 S270 L276 L279R241-C266 VanDerWaalsContact NH1-CA 3.28Å; R241-C266 PolarHBondContact NH1-SG 3.13Å; E245-C266 PolarHBondContact OE1-N 3.27Å; E245-C266 PolarHBondContact OE2-N 2.95Å; C266-E268 PolarHBondContact O-N 2.9Å; C266-A269 HydrophobicContact CB-CB 4.41Å; C266-A269 PolarHBondContact O-N 3.36Å; C266-A269 VanDerWaalsContact O-N 3.13Å; C266-S270 PolarHBondContact O-N 3.04Å; C266-S270 PolarHBondContact O-OG 2.99Å; C266-S270 VanDerWaalsContact O-OG 3.11Å; C266-L276 HydrophobicContact CB-CD2 3.83Å; C266-L279 HydrophobicContact CB-CD1 3.9Å
267S97.3Very high94.8Very high24 Ų2435.4 Ų35.417%0.16821%0.212CC..Hα-helixtrans-52.6-35.2-178.741.30000114.9K41 Q45 R241 E245 S270 K271K41-S267 PolarHBondContact NZ-OG 2.88Å; K41-S267 VanDerWaalsContact NZ-OG 3.11Å; Q45-S267 PolarHBondContact NE2-OG 2.98Å; R241-S267 VanDerWaalsContact NH2-N 3.18Å; E245-S267 WeakPolarHBondContact OE1-CB 3.4Å; E245-S267 PolarHBondContact OE1-N 3.32Å; E245-S267 PolarHBondContact OE1-OG 3.48Å; S267-S270 WeakPolarHBondContact O-CB 3.3Å; S267-S270 PolarHBondContact O-N 3.17Å; S267-K271 WeakPolarHBondContact O-CG 3.22Å; S267-K271 PolarHBondContact O-N 2.95Å; S267-K271 VanDerWaalsContact O-N 3.12Å
268E97.4Very high95.8Very high2 Ų230.7 Ų30.71%0.00918%0.182CC..Hα-helixtrans-69.8-37.7-179.8-60.3-54.3126.700112.2F22 D38 K41 A42 Q45 C266 S270 K271F22-E268 HydrophobicContact CE1-CB 4.31Å; F22-E268 HydrophobicContact CZ-CB 4.45Å; D38-E268 PolarHBondContact N-OE2 2.92Å; K41-E268 HydrophobicContact CB-CG 3.94Å; K41-E268 HydrophobicContact CD-CG 3.9Å; K41-E268 WeakPolarHBondContact CD-OE1 3.33Å; K41-E268 WeakPolarHBondContact CE-OE1 3.36Å; K41-E268 HydrophobicContact CG-CG 3.82Å; K41-E268 IonicContact NZ-OE1 2.81Å; K41-E268 PolarHBondContact NZ-OE1 3.25Å; A42-E268 HydrophobicContact CB-CB 3.73Å; A42-E268 HydrophobicContact CB-CG 4.28Å; Q45-E268 VanDerWaalsContact OE1-N 3.07Å; C266-E268 PolarHBondContact O-N 2.9Å; E268-S270 VanDerWaalsContact C-N 3.34Å; E268-K271 VanDerWaalsContact CD-NZ 3.3Å; E268-K271 PolarHBondContact O-N 3.02Å; E268-K271 WeakPolarHBondContact OE1-CE 3.45Å; E268-K271 IonicContact OE1-NZ 2.77Å; E268-K271 PolarHBondContact OE1-NZ 3.18Å; E268-K271 VanDerWaalsContact OE1-NZ 3.1Å; E268-K271 WeakPolarHBondContact OE2-CE 3.15Å; E268-K271 IonicContact OE2-NZ 3.1Å; E268-K271 PolarHBondContact OE2-NZ 3.18Å
269A95.8Very high96.3Very high5 Ų525.6 Ų25.64%0.04115%0.154CC..Hα-helixtrans-67-36.4171.400000111.6W74 C266 K271 L272 G273 A274 L279W74-A269 HydrophobicContact CH2-CB 3.94Å; W74-A269 HydrophobicContact CZ3-CB 3.68Å; C266-A269 HydrophobicContact CB-CB 4.41Å; C266-A269 PolarHBondContact O-N 3.36Å; C266-A269 VanDerWaalsContact O-N 3.13Å; A269-K271 VanDerWaalsContact C-N 3.32Å; A269-K271 PolarHBondContact O-N 3.46Å; A269-L272 PolarHBondContact O-N 2.82Å; A269-G273 PolarHBondContact O-N 3.2Å; A269-A274 HydrophobicContact CB-CB 4.17Å; A269-A274 PolarHBondContact O-N 3.2Å; A269-L279 HydrophobicContact CB-CD1 4.5Å
270S95.4Very high96.5Very high37 Ų3724.2 Ų24.226%0.25915%0.15SC..Hα-helixtrans-63.5-33.3177.8-56.50000113.7R241 C266 S267 E268 L272 G273 A274R241-S270 PolarHBondContact NH2-OG 3.36Å; C266-S270 PolarHBondContact O-N 3.04Å; C266-S270 PolarHBondContact O-OG 2.99Å; C266-S270 VanDerWaalsContact O-OG 3.11Å; S267-S270 WeakPolarHBondContact O-CB 3.3Å; S267-S270 PolarHBondContact O-N 3.17Å; E268-S270 VanDerWaalsContact C-N 3.34Å; S270-L272 PolarHBondContact O-N 2.73Å; S270-G273 PolarHBondContact O-N 2.86Å; S270-A274 WeakPolarHBondContact CA-O 3.37Å; S270-A274 PolarHBondContact OG-O 3.1Å
271K94.6Very high96.7Very high94 Ų9422.6 Ų22.641%0.40914%0.14SC..Hα-helixtrans-57.8-30.2172.5-68.1173.4-179.5177.70112.7V35 T36 V37 S267 E268 A269 G273V35-K271 HydrophobicContact CG1-CB 3.61Å; V35-K271 WeakPolarHBondContact CG1-O 3.45Å; T36-K271 PolarHBondContact O-NZ 3.15Å; V37-K271 HydrophobicContact CG1-CB 4.44Å; V37-K271 HydrophobicContact CG1-CD 4.33Å; S267-K271 WeakPolarHBondContact O-CG 3.22Å; S267-K271 PolarHBondContact O-N 2.95Å; S267-K271 VanDerWaalsContact O-N 3.12Å; E268-K271 VanDerWaalsContact CD-NZ 3.3Å; E268-K271 PolarHBondContact O-N 3.02Å; E268-K271 WeakPolarHBondContact OE1-CE 3.45Å; E268-K271 IonicContact OE1-NZ 2.77Å; E268-K271 PolarHBondContact OE1-NZ 3.18Å; E268-K271 VanDerWaalsContact OE1-NZ 3.1Å; E268-K271 WeakPolarHBondContact OE2-CE 3.15Å; E268-K271 IonicContact OE2-NZ 3.1Å; E268-K271 PolarHBondContact OE2-NZ 3.18Å; A269-K271 VanDerWaalsContact C-N 3.32Å; A269-K271 PolarHBondContact O-N 3.46Å; K271-G273 VanDerWaalsContact C-N 3.34Å
272L93.2Very high96.7Very high45 Ų4521.6 Ų21.624%0.23613%0.134CC..THydrogen-bonded Turntrans-902.4178.3-57175.8000112.2F22 V35 V37 W74 R75 A269 S270F22-L272 HydrophobicContact CD2-CD1 4.28Å; F22-L272 HydrophobicContact CE1-CD1 4.03Å; F22-L272 HydrophobicContact CE2-CD1 3.74Å; F22-L272 HydrophobicContact CZ-CD1 3.59Å; V35-L272 HydrophobicContact CB-CD2 4.15Å; V35-L272 HydrophobicContact CG1-CD2 4.12Å; V37-L272 HydrophobicContact CG1-CD1 4.21Å; V37-L272 HydrophobicContact CG1-CD2 3.95Å; V37-L272 HydrophobicContact CG1-CG 4.01Å; W74-L272 HydrophobicContact CH2-CB 4.26Å; W74-L272 HydrophobicContact CH2-CD1 4.32Å; W74-L272 HydrophobicContact CZ2-CB 4.14Å; W74-L272 HydrophobicContact CZ2-CD1 3.61Å; R75-L272 VanDerWaalsContact NH2-C 3.26Å; R75-L272 PolarHBondContact NH2-O 2.81Å; A269-L272 PolarHBondContact O-N 2.82Å; S270-L272 PolarHBondContact O-N 2.73Å
273G91.5Very high96.7Very high32 Ų3220.5 Ų20.533%0.3313%0.129SC..THydrogen-bonded Turntrans8231.4-177.700000113.9R75 R177 A269 S270 K271R75-G273 PolarHBondContact NH1-O 2.96Å; R75-G273 VanDerWaalsContact NH1-O 3.15Å; R177-G273 PolarHBondContact NH1-O 2.93Å; A269-G273 PolarHBondContact O-N 3.2Å; S270-G273 PolarHBondContact O-N 2.86Å; K271-G273 VanDerWaalsContact C-N 3.34Å
274A94.5Very high96.5Very high2 Ų218.6 Ų18.62%0.01711%0.114CC..  trans-109.2161.1169.300000111.8W74 A269 S270W74-A274 HydrophobicContact CH2-CB 3.43Å; W74-A274 VanDerWaalsContact CH2-CB 3.43Å; W74-A274 HydrophobicContact CZ3-CB 3.38Å; A269-A274 HydrophobicContact CB-CB 4.17Å; A269-A274 PolarHBondContact O-N 3.2Å; S270-A274 WeakPolarHBondContact CA-O 3.37Å; S270-A274 PolarHBondContact OG-O 3.1Å
275S96.3Very high95.8Very high7 Ų722.6 Ų22.65%0.04913%0.128CC..  trans-121.7-177.5176.6-58.20000110.7N180 N225 S277 S278N180-S275 PolarHBondContact ND2-OG 2.91Å; N225-S275 VanDerWaalsContact CB-CB 3.46Å; N225-S275 VanDerWaalsContact OD1-CB 3.23Å; N225-S275 WeakPolarHBondContact OD1-CB 3.2Å; S275-S277 PolarHBondContact O-N 3.13Å; S275-S278 PolarHBondContact N-OG 3.41Å; S275-S278 VanDerWaalsContact O-CB 3.27Å; S275-S278 WeakPolarHBondContact O-CB 3.37Å; S275-S278 PolarHBondContact O-N 3.01Å; S275-S278 PolarHBondContact O-OG 2.91Å
276L97.2Very high94.6Very high1 Ų128.6 Ų28.61%0.00515%0.15CC..SBendtrans-59.1-46.9-177.6-81.3171.9000112.1N225 I227 R241 T264 C266 S278 L279N225-L276 PolarHBondContact OD1-N 2.81Å; I227-L276 HydrophobicContact CD1-CB 4.24Å; I227-L276 HydrophobicContact CG1-CB 4.41Å; R241-L276 HydrophobicContact CG-CD1 4.5Å; T264-L276 HydrophobicContact CG2-CD2 3.79Å; T264-L276 WeakPolarHBondContact O-CD2 3.42Å; C266-L276 HydrophobicContact CB-CD2 3.83Å; L276-S278 PolarHBondContact O-N 3.18Å; L276-L279 PolarHBondContact O-N 3.42Å
277S98.3Very high92.7Very high11 Ų1135.1 Ų35.18%0.07718%0.179CC..G310 helixtrans-60.6-27-18069.80000112.7E77 N225 S275 L279 C280E77-S277 WeakPolarHBondContact CB-O 3.43Å; E77-S277 VanDerWaalsContact CD-C 3.48Å; E77-S277 VanDerWaalsContact CD-OG 3.25Å; E77-S277 WeakPolarHBondContact OE1-CB 3.43Å; E77-S277 PolarHBondContact OE1-OG 3.31Å; E77-S277 VanDerWaalsContact OE2-C 3.31Å; E77-S277 PolarHBondContact OE2-OG 3.02Å; N225-S277 PolarHBondContact ND2-OG 3.13Å; N225-S277 PolarHBondContact OD1-N 3.02Å; N225-S277 PolarHBondContact OD1-OG 2.94Å; S275-S277 PolarHBondContact O-N 3.13Å; S277-L279 PolarHBondContact O-N 3.21Å; S277-C280 PolarHBondContact O-N 3.1Å
278S98.2Very high90.2Very high2 Ų238.9 Ų38.91%0.01420%0.201CC..G310 helixtrans-60.1-23-177.6-52.60000113.9R75 V76 E77 S275 L276R75-S278 CarbonylContact C-O 3.53Å; R75-S278 WeakPolarHBondContact CA-O 3.4Å; V76-S278 PolarHBondContact N-O 3.29Å; E77-S278 PolarHBondContact N-O 3.28Å; E77-S278 WeakPolarHBondContact OE2-CA 3.45Å; E77-S278 PolarHBondContact OE2-N 3.34Å; S275-S278 PolarHBondContact N-OG 3.41Å; S275-S278 VanDerWaalsContact O-CB 3.27Å; S275-S278 WeakPolarHBondContact O-CB 3.37Å; S275-S278 PolarHBondContact O-N 3.01Å; S275-S278 PolarHBondContact O-OG 2.91Å; L276-S278 PolarHBondContact O-N 3.18Å
279L98.4Very high87.3Confident5 Ų548.8 Ų48.83%0.02624%0.24CC..G310 helixtrans-91.4-2.6-172.4-66.4164.1000113.8I18 F46 L49 W74 C266 A269 L276 S277I18-L279 HydrophobicContact CD1-CD2 4.32Å; F46-L279 HydrophobicContact CD2-CD2 4.45Å; L49-L279 HydrophobicContact CD2-CB 3.34Å; L49-L279 HydrophobicContact CD2-CD1 3.82Å; L49-L279 HydrophobicContact CD2-CG 4.22Å; W74-L279 HydrophobicContact CE3-CD2 3.54Å; W74-L279 HydrophobicContact CZ3-CD2 4.03Å; C266-L279 HydrophobicContact CB-CD1 3.9Å; A269-L279 HydrophobicContact CB-CD1 4.5Å; L276-L279 PolarHBondContact O-N 3.42Å; S277-L279 PolarHBondContact O-N 3.21Å
280C98.6Very high84.5Confident5 Ų560.9 Ų60.93%0.03429%0.292CS..EExtended strand (participates in β ladder)trans-149.3151.4179.1670000113.5V14 V15 L53 S277V14-C280 CarbonylContact O-C 3.6Å; V14-C280 VanDerWaalsContact O-CA 3.31Å; V14-C280 WeakPolarHBondContact O-CA 3.35Å; V15-C280 HydrophobicContact CG1-CB 3.81Å; L53-C280 HydrophobicContact CD1-CB 4.17Å; S277-C280 PolarHBondContact O-N 3.1Å
281L98.7Very high83.9Confident9 Ų962.1 Ų62.15%0.04729%0.294CS..EExtended strand (participates in β ladder)trans-106.2132.5161.9-66.2165.8000108.4A13 V14 V76 A80 I82 V104 M108A13-L281 CarbonylContact C-O 3.57Å; A13-L281 WeakPolarHBondContact CA-O 3.48Å; V14-L281 HydrophobicContact CB-CB 4.21Å; V14-L281 PolarHBondContact N-O 3.2Å; V14-L281 PolarHBondContact O-N 3.47Å; V76-L281 HydrophobicContact CG1-CG 4.3Å; V76-L281 HydrophobicContact CG2-CD1 3.74Å; V76-L281 HydrophobicContact CG2-CG 4.15Å; A80-L281 HydrophobicContact CB-CD1 3.87Å; A80-L281 HydrophobicContact CB-CD2 4.07Å; A80-L281 VanDerWaalsContact O-CD2 3.25Å; A80-L281 WeakPolarHBondContact O-CD2 3.13Å; I82-L281 HydrophobicContact CD1-CB 4.02Å; I82-L281 HydrophobicContact CD1-CD1 4.35Å; I82-L281 HydrophobicContact CD1-CD2 4.33Å; I82-L281 HydrophobicContact CD1-CG 4.49Å; V104-L281 HydrophobicContact CG1-CD1 3.73Å; M108-L281 HydrophobicContact CE-CD1 3.66Å
282L98Very high83.4Confident32 Ų3260.4 Ų60.417%0.16829%0.288CS..EExtended strand (participates in β ladder)trans-103.9130.7178-61.2178.4000110.1F10 A13 L53 L59 I227 V229F10-L282 HydrophobicContact CB-CB 4.38Å; F10-L282 HydrophobicContact CD1-CB 3.49Å; F10-L282 VanDerWaalsContact CD1-CB 3.49Å; F10-L282 HydrophobicContact CD2-CB 3.94Å; F10-L282 HydrophobicContact CD2-CD1 3.71Å; F10-L282 HydrophobicContact CD2-CG 4.34Å; F10-L282 HydrophobicContact CE1-CB 3.57Å; F10-L282 HydrophobicContact CE2-CB 4.02Å; F10-L282 HydrophobicContact CE2-CD1 3.51Å; F10-L282 HydrophobicContact CE2-CG 4.41Å; F10-L282 HydrophobicContact CG-CB 3.67Å; F10-L282 HydrophobicContact CG-CD1 4.3Å; F10-L282 HydrophobicContact CG-CG 4.47Å; F10-L282 HydrophobicContact CZ-CB 3.84Å; F10-L282 HydrophobicContact CZ-CD1 3.97Å; A13-L282 HydrophobicContact CB-CD2 3.88Å; L53-L282 HydrophobicContact CD2-CD2 4.44Å; L59-L282 HydrophobicContact CD1-CD2 3.85Å; I227-L282 HydrophobicContact CG2-CD1 3.63Å; V229-L282 HydrophobicContact CG2-CD1 4.28Å
283V96.8Very high82.8Confident1 Ų161.2 Ų61.21%0.00629%0.291CS..EExtended strand (participates in β ladder)trans-124.9132.2-173.9-173.40000110.2T11 H12 V14 I82 L111 L113T11-V283 PolarHBondContact N-O 3.23Å; T11-V283 PolarHBondContact OG1-O 3.05Å; H12-V283 HydrophobicContact CB-CB 4.29Å; H12-V283 PolarHBondContact N-O 2.87Å; H12-V283 PolarHBondContact O-N 3.45Å; V14-V283 HydrophobicContact CG2-CG2 4.35Å; I82-V283 HydrophobicContact CD1-CG2 3.67Å; L111-V283 HydrophobicContact CD1-CB 4.45Å; L111-V283 HydrophobicContact CD1-CG1 4.29Å; L111-V283 HydrophobicContact CD1-CG2 4.1Å; L113-V283 HydrophobicContact CD1-CG1 3.96Å; L113-V283 HydrophobicContact CD2-CG1 4.24Å
284N92.8Very high82.3Confident44 Ų4462.9 Ų62.924%0.23529%0.289CS..  trans-106.383.3172.5-169.910.6000110.8R9 F10 K286R9-N284 WeakPolarHBondContact O-CB 3.5Å; R9-N284 PolarHBondContact O-ND2 3.21Å; F10-N284 HydrophobicContact CD1-CB 4.36Å; N284-K286 PolarHBondContact O-N 2.86Å
285R84.3Confident81.5Confident87 Ų8766.8 Ų66.833%0.32831%0.306SS..  trans-71.1114.4172.8-170.1177.2178.2-174.24.1109.5T11 N112 H287T11-R285 PolarHBondContact OG1-N 3.05Å; N112-R285 PolarHBondContact ND2-NH2 3.05Å; R285-H287 PolarHBondContact O-N 3.38Å
286K72.8Confident80.6Confident154 Ų15470.7 Ų70.767%0.6732%0.323SS*.  trans-66.5125.4167.5-68.1179.6-177.2169.60108N284 T288N284-K286 PolarHBondContact O-N 2.86Å; K286-T288 PolarHBondContact O-N 3.37Å
287H56Low79.4Confident138 Ų13875.7 Ų75.764%0.63935%0.345SS*.  trans-65108.4167.2-74.1-76.4000108.1R285 Y289R285-H287 PolarHBondContact O-N 3.38Å; H287-Y289 VanDerWaalsContact C-N 3.3Å; H287-Y289 HydrophobicContact CB-CD2 4.26Å; H287-Y289 HydrophobicContact CB-CE2 3.94Å; H287-Y289 PolarHBondContact O-N 3.01Å
288T45.2Very low77.9Confident103 Ų10380.7 Ų80.763%0.63237%0.366SS*.  trans-69.794.9159.424.10000106.8K286 F290K286-T288 PolarHBondContact O-N 3.37Å; T288-F290 PolarHBondContact O-N 2.81Å
289Y37.8Very low76.2Confident211 Ų21187.3 Ų87.383%0.82740%0.395SS*.  trans-67.1107.5159.2-66.5-81.6000106H287H287-Y289 VanDerWaalsContact C-N 3.3Å; H287-Y289 HydrophobicContact CB-CD2 4.26Å; H287-Y289 HydrophobicContact CB-CE2 3.94Å; H287-Y289 PolarHBondContact O-N 3.01Å
290F35.4Very low74.2Confident258 Ų25894.7 Ų94.7100%1.13243%0.429SS*.  trans-80.60163.1-71.1-78.6000109.3T288T288-F290 PolarHBondContact O-N 2.81Å

Retrieved 290 of 290 residues in 208.9 ms (Link to these results)

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