A0A3Q0KGM9_SCHMA Loading...

Putative maf protein

AlphaFold DB (A0A5K4EFP2), UniProt , Accession A0A3Q0KGM9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 234 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
1M50.5Low44.9Very low207 Ų207137.3 Ų137.3100%1.0266%0.657SS**  0-49.40-76-140.6-76.700114.1K3 Y4 Y5M1-K3 PolarHBondContact O-N 2.97Å; M1-Y4 PolarHBondContact O-N 3.29Å; M1-Y5 PolarHBondContact O-N 3.29Å; M1-Y5 VanDerWaalsContact O-N 3.16Å
2L47.3Very low44.9Very low135 Ų135137.8 Ų137.871%0.70766%0.655SS**Hα-helixtrans-58.1-38-178.3-91.993.6000115.4Y4 Y5 H6L2-Y4 PolarHBondContact O-N 2.81Å; L2-Y5 PolarHBondContact O-N 2.94Å; L2-H6 PolarHBondContact O-CD2 3.11Å; L2-H6 PolarHBondContact O-N 3.08Å; L2-H6 VanDerWaalsContact O-N 3.13Å
3K43.6Very low45.1Very low182 Ų182136.7 Ų136.779%0.79166%0.655SS**Hα-helixtrans-63.8-37.9177.7-78.5-174.9175.5-178.30112.9M1 V7M1-K3 PolarHBondContact O-N 2.97Å; K3-V7 WeakPolarHBondContact O-CG2 3.48Å; K3-V7 PolarHBondContact O-N 2.98Å; K3-V7 VanDerWaalsContact O-N 3.13Å
4Y45.6Very low45.8Very low184 Ų184132 Ų13272%0.72263%0.634SS**Hα-helixtrans-69.1-35.5174.5-85.4-88.1000111.8M1 L2 H6 V7 M8M1-Y4 PolarHBondContact O-N 3.29Å; L2-Y4 PolarHBondContact O-N 2.81Å; Y4-H6 PolarHBondContact O-N 2.98Å; Y4-V7 PolarHBondContact O-N 3.38Å; Y4-M8 WeakPolarHBondContact O-CB 3.49Å; Y4-M8 WeakPolarHBondContact O-CG 3.3Å; Y4-M8 PolarHBondContact O-N 2.93Å
5Y46.4Very low46.7Very low158 Ų158135.3 Ų135.362%0.6265%0.645SS**Hα-helixtrans-65-37.9177.7-147.4-94000112.5M1 L2 K9M1-Y5 PolarHBondContact O-N 3.29Å; M1-Y5 VanDerWaalsContact O-N 3.16Å; L2-Y5 PolarHBondContact O-N 2.94Å; Y5-K9 HydrophobicContact CD1-CD 4.41Å; Y5-K9 HydrophobicContact CE1-CD 4.39Å; Y5-K9 WeakPolarHBondContact O-CB 3.22Å; Y5-K9 PolarHBondContact O-N 2.97Å
6H42.6Very low47.6Very low124 Ų124127.8 Ų127.857%0.57461%0.61SS**Hα-helixtrans-73.4-38.4175.3-76-61.1000113.1L2 Y4 K9 A10L2-H6 PolarHBondContact O-CD2 3.11Å; L2-H6 PolarHBondContact O-N 3.08Å; L2-H6 VanDerWaalsContact O-N 3.13Å; Y4-H6 PolarHBondContact O-N 2.98Å; H6-K9 PolarHBondContact O-N 3.2Å; H6-A10 VanDerWaalsContact O-CB 3.3Å; H6-A10 WeakPolarHBondContact O-CB 3.45Å; H6-A10 PolarHBondContact O-N 3.43Å
7V47.2Very low49.1Very low84 Ų84121.9 Ų121.951%0.50959%0.585SS.*Hα-helixtrans-67-39.2174.1175.60000110.6K3 Y4 A10 I11K3-V7 WeakPolarHBondContact O-CG2 3.48Å; K3-V7 PolarHBondContact O-N 2.98Å; K3-V7 VanDerWaalsContact O-N 3.13Å; Y4-V7 PolarHBondContact O-N 3.38Å; V7-A10 PolarHBondContact O-N 3.49Å; V7-I11 HydrophobicContact CG1-CD1 3.73Å; V7-I11 HydrophobicContact CG1-CG1 4.39Å; V7-I11 WeakPolarHBondContact O-CB 3.39Å; V7-I11 VanDerWaalsContact O-CG1 3.25Å; V7-I11 WeakPolarHBondContact O-CG1 3.39Å; V7-I11 PolarHBondContact O-N 3.2Å
8M41.5Very low50.4Low121 Ų121120.8 Ų120.860%0.59660%0.6SS**Hα-helixtrans-67-39.6173.8-75.6-16577.900112.4Y4 A10 I11 F12Y4-M8 WeakPolarHBondContact O-CB 3.49Å; Y4-M8 WeakPolarHBondContact O-CG 3.3Å; Y4-M8 PolarHBondContact O-N 2.93Å; M8-A10 VanDerWaalsContact C-N 3.33Å; M8-I11 PolarHBondContact O-N 3.28Å; M8-F12 VanDerWaalsContact O-CB 3.32Å; M8-F12 WeakPolarHBondContact O-CB 3.3Å; M8-F12 PolarHBondContact O-N 3.35Å
9K40.3Very low51.9Low137 Ų137117.5 Ų117.560%0.59658%0.583SS**Hα-helixtrans-65.3-33.5172-90.3-173.1170.8-176.10113.1Y5 H6 F12 N13Y5-K9 HydrophobicContact CD1-CD 4.41Å; Y5-K9 HydrophobicContact CE1-CD 4.39Å; Y5-K9 WeakPolarHBondContact O-CB 3.22Å; Y5-K9 PolarHBondContact O-N 2.97Å; H6-K9 PolarHBondContact O-N 3.2Å; K9-F12 CarbonylContact O-C 3.42Å; K9-F12 WeakPolarHBondContact O-CA 3.41Å; K9-F12 WeakPolarHBondContact O-CB 3.33Å; K9-F12 PolarHBondContact O-N 2.98Å; K9-N13 PolarHBondContact O-N 2.92Å
10A43.9Very low53.3Low58 Ų58111.6 Ų111.648%0.47955%0.554SS.*Hα-helixtrans-77.5-29.9177.400000113H6 V7 M8 F12 N13H6-A10 VanDerWaalsContact O-CB 3.3Å; H6-A10 WeakPolarHBondContact O-CB 3.45Å; H6-A10 PolarHBondContact O-N 3.43Å; V7-A10 PolarHBondContact O-N 3.49Å; M8-A10 VanDerWaalsContact C-N 3.33Å; A10-F12 VanDerWaalsContact C-N 3.34Å; A10-N13 WeakPolarHBondContact O-CB 3.47Å; A10-N13 PolarHBondContact O-N 3.45Å; A10-N13 VanDerWaalsContact O-N 3.14Å; A10-N13 PolarHBondContact O-ND2 3.09Å
11I45.5Very low54.5Low120 Ų120109.8 Ų109.862%0.61555%0.551SS**Hα-helixtrans-75.9-26.9168.5-65.6168.3000110.5V7 M8 N13V7-I11 HydrophobicContact CG1-CD1 3.73Å; V7-I11 HydrophobicContact CG1-CG1 4.39Å; V7-I11 WeakPolarHBondContact O-CB 3.39Å; V7-I11 VanDerWaalsContact O-CG1 3.25Å; V7-I11 WeakPolarHBondContact O-CG1 3.39Å; V7-I11 PolarHBondContact O-N 3.2Å; M8-I11 PolarHBondContact O-N 3.28Å; I11-N13 PolarHBondContact O-N 3.3Å; I11-N13 VanDerWaalsContact O-N 3.14Å
12F43.9Very low55.8Low144 Ų144104.1 Ų104.163%0.63253%0.532SS*.THydrogen-bonded Turntrans-74.726159.7-106.3-96.4000112.7M8 K9 A10 I14M8-F12 VanDerWaalsContact O-CB 3.32Å; M8-F12 WeakPolarHBondContact O-CB 3.3Å; M8-F12 PolarHBondContact O-N 3.35Å; K9-F12 CarbonylContact O-C 3.42Å; K9-F12 WeakPolarHBondContact O-CA 3.41Å; K9-F12 WeakPolarHBondContact O-CB 3.33Å; K9-F12 PolarHBondContact O-N 2.98Å; A10-F12 VanDerWaalsContact C-N 3.34Å; F12-I14 HydrophobicContact CD1-CD1 4.05Å; F12-I14 HydrophobicContact CD1-CG1 3.62Å; F12-I14 HydrophobicContact CE1-CG1 4.23Å; F12-I14 WeakPolarHBondContact O-CG1 3.12Å; F12-I14 PolarHBondContact O-N 3.17Å
13N47.6Very low57.3Low123 Ų12398 Ų9866%0.65850%0.5SS*.SBendtrans-61.784.5141.4-86.3-29.7000105.8K9 A10 I11 F15K9-N13 PolarHBondContact O-N 2.92Å; A10-N13 WeakPolarHBondContact O-CB 3.47Å; A10-N13 PolarHBondContact O-N 3.45Å; A10-N13 VanDerWaalsContact O-N 3.14Å; A10-N13 PolarHBondContact O-ND2 3.09Å; I11-N13 PolarHBondContact O-N 3.3Å; I11-N13 VanDerWaalsContact O-N 3.14Å; N13-F15 PolarHBondContact O-N 3Å
14I55.2Low58.9Low71 Ų7192.2 Ų92.236%0.36448%0.477SS..  trans-48.4110.3-176.7-73.1160.2000106.4F12 L16 G49F12-I14 HydrophobicContact CD1-CD1 4.05Å; F12-I14 HydrophobicContact CD1-CG1 3.62Å; F12-I14 HydrophobicContact CE1-CG1 4.23Å; F12-I14 WeakPolarHBondContact O-CG1 3.12Å; F12-I14 PolarHBondContact O-N 3.17Å; I14-L16 VanDerWaalsContact C-N 3.27Å; I14-L16 PolarHBondContact O-N 3.24Å; I14-G49 WeakPolarHBondContact CG2-O 3.29Å
15F59.6Low60.5Low181 Ų18191.9 Ų91.979%0.79448%0.48SS*.  trans-62.5100.6171.3-71.6-80.8000105.9N13N13-F15 PolarHBondContact O-N 3Å
16L60.7Low62.3Low15 Ų1586.8 Ų86.88%0.07946%0.463CS..  trans-52.7143.7162.5-175.961.6000107I14 A18 L20 D24 L27 L50I14-L16 VanDerWaalsContact C-N 3.27Å; I14-L16 PolarHBondContact O-N 3.24Å; L16-A18 PolarHBondContact O-N 3.1Å; L16-L20 HydrophobicContact CD1-CB 3.89Å; L16-L20 HydrophobicContact CD1-CD1 4.1Å; L16-L20 VanDerWaalsContact CD2-C 3.41Å; L16-L20 HydrophobicContact CD2-CB 3.64Å; L16-L20 WeakPolarHBondContact CD2-O 3.42Å; L16-L20 HydrophobicContact CG-CB 3.51Å; L16-D24 HydrophobicContact CD2-CB 4.22Å; L16-L27 HydrophobicContact CD2-CD1 4.14Å; L16-L50 HydrophobicContact CD1-CD1 3.89Å
17S73.3Confident64.2Low28 Ų2881.4 Ų81.420%0.19644%0.439CS..  trans-46.5146.3-178.374.50000111.5M19 L20 C21 I48S17-M19 PolarHBondContact O-N 3.08Å; S17-L20 PolarHBondContact O-N 3.41Å; S17-C21 PolarHBondContact O-N 3.07Å; S17-I48 PolarHBondContact N-O 3.14Å
18A73.2Confident66Low102 Ų10284.2 Ų84.284%0.84344%0.444SS*.THydrogen-bonded Turntrans-51.2-29.5-175.800000113.1L16L16-A18 PolarHBondContact O-N 3.1Å
19M77.7Confident68.1Low58 Ų5881.9 Ų81.929%0.28644%0.439SS..THydrogen-bonded Turntrans-76.3-29.3178.4-168.4164.761.800114.3S17 C217 K218 K221S17-M19 PolarHBondContact O-N 3.08Å; M19-C217 HydrophobicContact CE-CB 3Å; M19-K218 HydrophobicContact CE-CB 4.43Å; M19-K218 HydrophobicContact CE-CG 3.81Å; M19-K218 HydrophobicContact SD-CG 3.73Å; M19-K221 HydrophobicContact CG-CD 4.06Å
20L81.2Confident70.6Confident0 Ų075.7 Ų75.70%041%0.413CS..THydrogen-bonded Turntrans-100.1-14.2-177.5-66.8179.8000112.8L16 S17 S22 L23 L27 L50 C217 L220 K221L16-L20 HydrophobicContact CD1-CB 3.89Å; L16-L20 HydrophobicContact CD1-CD1 4.1Å; L16-L20 VanDerWaalsContact CD2-C 3.41Å; L16-L20 HydrophobicContact CD2-CB 3.64Å; L16-L20 WeakPolarHBondContact CD2-O 3.42Å; L16-L20 HydrophobicContact CG-CB 3.51Å; S17-L20 PolarHBondContact O-N 3.41Å; L20-S22 PolarHBondContact O-N 3.35Å; L20-S22 VanDerWaalsContact O-N 3.07Å; L20-L23 HydrophobicContact CD2-CD1 4.47Å; L20-L23 WeakPolarHBondContact O-CA 3.21Å; L20-L23 WeakPolarHBondContact O-CB 3.32Å; L20-L23 PolarHBondContact O-N 2.91Å; L20-L27 HydrophobicContact CB-CD1 4.4Å; L20-L27 HydrophobicContact CD2-CD1 4.41Å; L20-L50 HydrophobicContact CD1-CD1 4.31Å; L20-C217 HydrophobicContact CD1-CB 4.23Å; L20-C217 HydrophobicContact CG-CB 4.25Å; L20-L220 HydrophobicContact CD1-CD1 4.28Å; L20-L220 HydrophobicContact CD2-CB 4.02Å; L20-K221 HydrophobicContact CD2-CB 4.1Å
21C76.9Confident73Confident73 Ų7375.8 Ų75.849%0.49341%0.406SS..G310 helixtrans-52.3-33.5-177.9-174.30000114.1S17 L23 D24S17-C21 PolarHBondContact O-N 3.07Å; C21-L23 PolarHBondContact O-N 3.48Å; C21-D24 PolarHBondContact O-N 3.35Å
22S78.3Confident75.5Confident88 Ų8870.6 Ų70.662%0.61538%0.379SS*.G310 helixtrans-69.8-14.8177.6600000114L20L20-S22 PolarHBondContact O-N 3.35Å; L20-S22 VanDerWaalsContact O-N 3.07Å
23L79Confident78Confident8 Ų863.9 Ų63.94%0.04235%0.35CS..G310 helixtrans-109.310.2-176.4-59.6175.5000112.7L20 C21 K25 D26 L27 K221 C224 E225L20-L23 HydrophobicContact CD2-CD1 4.47Å; L20-L23 WeakPolarHBondContact O-CA 3.21Å; L20-L23 WeakPolarHBondContact O-CB 3.32Å; L20-L23 PolarHBondContact O-N 2.91Å; C21-L23 PolarHBondContact O-N 3.48Å; L23-K25 VanDerWaalsContact C-N 3.25Å; L23-K25 PolarHBondContact O-N 3.37Å; L23-D26 PolarHBondContact O-N 2.95Å; L23-L27 HydrophobicContact CB-CD1 4.07Å; L23-L27 HydrophobicContact CB-CG 4.14Å; L23-L27 WeakPolarHBondContact O-CB 3.49Å; L23-L27 PolarHBondContact O-N 2.9Å; L23-K221 HydrophobicContact CD1-CB 4.02Å; L23-K221 HydrophobicContact CD1-CG 3.76Å; L23-C224 HydrophobicContact CD1-CB 3.9Å; L23-E225 HydrophobicContact CD2-CG 3.98Å
24D77.8Confident80.5Confident59 Ų5958 Ų5832%0.31632%0.318SS..Hα-helixtrans-54.2-40.7-174.1178.653.9000112.7L16 C21 K28L16-D24 HydrophobicContact CD2-CB 4.22Å; C21-D24 PolarHBondContact O-N 3.35Å; D24-K28 VanDerWaalsContact CG-NZ 3.3Å; D24-K28 VanDerWaalsContact O-CB 3.3Å; D24-K28 WeakPolarHBondContact O-CB 3.26Å; D24-K28 WeakPolarHBondContact O-CD 3.43Å; D24-K28 WeakPolarHBondContact O-CG 3.31Å; D24-K28 PolarHBondContact O-N 3.04Å; D24-K28 WeakPolarHBondContact OD1-CE 3.41Å; D24-K28 IonicContact OD1-NZ 2.98Å; D24-K28 PolarHBondContact OD1-NZ 2.84Å; D24-K28 VanDerWaalsContact OD1-NZ 3.15Å; D24-K28 WeakPolarHBondContact OD2-CE 3.4Å; D24-K28 IonicContact OD2-NZ 3.91Å; D24-K28 PolarHBondContact OD2-NZ 2.98Å
25K79.6Confident82.5Confident177 Ų17754.7 Ų54.777%0.7730%0.301SS*.Hα-helixtrans-67.1-43.7177.1-69.4-176.3-179.6178.20112.6L23 K28 S29L23-K25 VanDerWaalsContact C-N 3.25Å; L23-K25 PolarHBondContact O-N 3.37Å; K25-K28 PolarHBondContact O-N 3.07Å; K25-S29 PolarHBondContact O-N 2.65Å
26D83.2Confident84.3Confident51 Ų5146.3 Ų46.327%0.27327%0.265SS..Hα-helixtrans-71.3-43.5-176.3-59.1-38.7000110.6L23 K28 S29 C224 V228L23-D26 PolarHBondContact O-N 2.95Å; D26-K28 VanDerWaalsContact C-N 3.29Å; D26-K28 PolarHBondContact O-N 2.92Å; D26-S29 WeakPolarHBondContact O-CB 3.45Å; D26-S29 PolarHBondContact O-N 2.98Å; D26-S29 PolarHBondContact O-OG 2.89Å; D26-C224 VanDerWaalsContact CB-SG 3.58Å; D26-V228 HydrophobicContact CB-CG2 3.76Å
27L82.8Confident85.8Confident11 Ų1149.6 Ų49.66%0.05829%0.286CS..Hα-helixtrans-64.9-31.4174.7-70174.5000112.3L16 L20 L23 S29 I30 I32 C224L16-L27 HydrophobicContact CD2-CD1 4.14Å; L20-L27 HydrophobicContact CB-CD1 4.4Å; L20-L27 HydrophobicContact CD2-CD1 4.41Å; L23-L27 HydrophobicContact CB-CD1 4.07Å; L23-L27 HydrophobicContact CB-CG 4.14Å; L23-L27 WeakPolarHBondContact O-CB 3.49Å; L23-L27 PolarHBondContact O-N 2.9Å; L27-S29 PolarHBondContact O-N 3.33Å; L27-I30 PolarHBondContact O-N 3.01Å; L27-I30 VanDerWaalsContact O-N 3.15Å; L27-I32 HydrophobicContact CB-CD1 4.49Å; L27-I32 HydrophobicContact CD2-CD1 4.29Å; L27-C224 HydrophobicContact CD2-CB 4.31Å
28K84.1Confident86.8Confident144 Ų14449 Ų4963%0.62628%0.281SS*.THydrogen-bonded Turntrans-67.2-16.9172.6-81.5170.2177.9164.20114D24 K25 D26 I30D24-K28 VanDerWaalsContact CG-NZ 3.3Å; D24-K28 VanDerWaalsContact O-CB 3.3Å; D24-K28 WeakPolarHBondContact O-CB 3.26Å; D24-K28 WeakPolarHBondContact O-CD 3.43Å; D24-K28 WeakPolarHBondContact O-CG 3.31Å; D24-K28 PolarHBondContact O-N 3.04Å; D24-K28 WeakPolarHBondContact OD1-CE 3.41Å; D24-K28 IonicContact OD1-NZ 2.98Å; D24-K28 PolarHBondContact OD1-NZ 2.84Å; D24-K28 VanDerWaalsContact OD1-NZ 3.15Å; D24-K28 WeakPolarHBondContact OD2-CE 3.4Å; D24-K28 IonicContact OD2-NZ 3.91Å; D24-K28 PolarHBondContact OD2-NZ 2.98Å; K25-K28 PolarHBondContact O-N 3.07Å; D26-K28 VanDerWaalsContact C-N 3.29Å; D26-K28 PolarHBondContact O-N 2.92Å; K28-I30 VanDerWaalsContact C-N 3.33Å
29S87.2Confident87.8Confident71 Ų7148.4 Ų48.450%0.49727%0.269SS..THydrogen-bonded Turntrans-88.5-1.7174.777.80000113.6K25 D26 L27K25-S29 PolarHBondContact O-N 2.65Å; D26-S29 WeakPolarHBondContact O-CB 3.45Å; D26-S29 PolarHBondContact O-N 2.98Å; D26-S29 PolarHBondContact O-OG 2.89Å; L27-S29 PolarHBondContact O-N 3.33Å
30I92.3Very high88.7Confident8 Ų848 Ų484%0.04126%0.264CS..SBendtrans-125.2125.8-176.4-58.1175.8000108.5L27 K28 I32 N96 Y97 V98 W144L27-I30 PolarHBondContact O-N 3.01Å; L27-I30 VanDerWaalsContact O-N 3.15Å; K28-I30 VanDerWaalsContact C-N 3.33Å; I30-I32 PolarHBondContact O-N 3.13Å; I30-N96 HydrophobicContact CG1-CB 4.16Å; I30-N96 HydrophobicContact CG2-CB 4.49Å; I30-Y97 VanDerWaalsContact CG2-C 3.43Å; I30-V98 HydrophobicContact CG2-CB 4.14Å; I30-V98 HydrophobicContact CG2-CG1 3.92Å; I30-W144 HydrophobicContact CD1-CE3 4.4Å; I30-W144 HydrophobicContact CD1-CZ3 4.02Å
31D94.5Very high89.4Confident60 Ų6049.1 Ų49.132%0.32127%0.269SS..EExtended strand (participates in β ladder)trans-71.7110.2172.6-79.2-9.7000109.3R95 N96 Y97 V98D31-R95 WeakPolarHBondContact OD2-CD 3.48Å; D31-R95 IonicContact OD2-CZ 2.72Å; D31-R95 IonicContact OD2-NE 3.91Å; D31-R95 IonicContact OD2-NH1 3.84Å; D31-R95 PolarHBondContact OD2-NH1 2.81Å; D31-N96 PolarHBondContact N-O 3.22Å; D31-Y97 HydrophobicContact CB-CD1 3.54Å; D31-Y97 HydrophobicContact CB-CE1 3.81Å; D31-Y97 VanDerWaalsContact O-CA 3.27Å; D31-Y97 WeakPolarHBondContact O-CA 3.44Å; D31-V98 PolarHBondContact O-N 3.16Å
32I96.5Very high90.4Very high10 Ų1049.4 Ų49.45%0.05126%0.261CS..EExtended strand (participates in β ladder)trans-84.4124.6176.9-52-175.6000109L27 I30 L50 F52 S53 V98 I100L27-I32 HydrophobicContact CB-CD1 4.49Å; L27-I32 HydrophobicContact CD2-CD1 4.29Å; I30-I32 PolarHBondContact O-N 3.13Å; I32-L50 HydrophobicContact CD1-CD1 3.39Å; I32-L50 HydrophobicContact CD1-CD2 4.03Å; I32-L50 HydrophobicContact CD1-CG 3.64Å; I32-L50 HydrophobicContact CG2-CD2 3.84Å; I32-L50 HydrophobicContact CG2-CG 4.3Å; I32-F52 HydrophobicContact CB-CB 3.99Å; I32-F52 HydrophobicContact CG2-CB 3.78Å; I32-F52 CarbonylContact O-C 3.55Å; I32-F52 WeakPolarHBondContact O-CA 3.35Å; I32-F52 WeakPolarHBondContact O-CB 3.25Å; I32-S53 PolarHBondContact O-N 3.3Å; I32-V98 HydrophobicContact CB-CG1 4.08Å; I32-V98 HydrophobicContact CG1-CG1 3.71Å; I32-V98 HydrophobicContact CG2-CG1 4.04Å; I32-I100 HydrophobicContact CG2-CD1 3.86Å
33I98Very high91.3Very high4 Ų449.7 Ų49.72%0.02125%0.253CS..EExtended strand (participates in β ladder)trans-123125.4-178.1-58.3-179.3000109.9S53 I55 V86 L90 Y97 V98 V99 I100I33-S53 CarbonylContact C-O 3.26Å; I33-S53 WeakPolarHBondContact CA-O 3.46Å; I33-I55 HydrophobicContact CD1-CD1 4.11Å; I33-I55 HydrophobicContact CG2-CB 4.21Å; I33-I55 HydrophobicContact CG2-CD1 3.83Å; I33-I55 HydrophobicContact CG2-CG1 3.88Å; I33-V86 HydrophobicContact CG2-CG1 3.88Å; I33-L90 HydrophobicContact CD1-CD1 3.65Å; I33-L90 HydrophobicContact CD1-CD2 3.59Å; I33-L90 HydrophobicContact CD1-CG 4.29Å; I33-Y97 HydrophobicContact CD1-CD1 3.52Å; I33-Y97 HydrophobicContact CD1-CE1 3.93Å; I33-Y97 HydrophobicContact CD1-CG 4.46Å; I33-Y97 HydrophobicContact CG1-CD1 4.3Å; I33-V98 PolarHBondContact N-O 3.41Å; I33-V99 HydrophobicContact CB-CG1 4.46Å; I33-V99 HydrophobicContact CB-CG2 4.26Å; I33-V99 HydrophobicContact CD1-CG2 4.5Å; I33-V99 HydrophobicContact CG2-CG1 4.39Å; I33-V99 CarbonylContact O-C 3.57Å; I33-V99 WeakPolarHBondContact O-CA 3.4Å; I33-I100 PolarHBondContact O-N 3.46Å
34L98.5Very high92.1Very high0 Ų049.5 Ų49.50%025%0.252CS..EExtended strand (participates in β ladder)trans-90.1108.2166.9177.864.6000109.7S36 R41 K42 L45 F52 S53 S54 I55 I100L34-S36 PolarHBondContact O-N 3.19Å; L34-R41 HydrophobicContact CD2-CB 4Å; L34-K42 HydrophobicContact CD2-CG 3.81Å; L34-L45 HydrophobicContact CB-CD1 4.1Å; L34-L45 HydrophobicContact CD1-CD1 3.99Å; L34-L45 HydrophobicContact CD2-CD1 4.1Å; L34-L45 HydrophobicContact CG-CD1 4.26Å; L34-F52 HydrophobicContact CB-CD2 3.76Å; L34-F52 HydrophobicContact CB-CE2 4.06Å; L34-F52 HydrophobicContact CD2-CE2 3.98Å; L34-S53 PolarHBondContact N-O 2.95Å; L34-S54 WeakPolarHBondContact O-CA 3.26Å; L34-I55 PolarHBondContact O-N 3.28Å; L34-I100 CarbonylContact C-O 3.58Å; L34-I100 WeakPolarHBondContact CA-O 3.19Å
35A98.1Very high93Very high0 Ų046.7 Ų46.70%024%0.237CC..  trans-75.459.9172.400000111.3I55 V86 V99 I100A35-I55 CarbonylContact C-O 3.51Å; A35-I55 WeakPolarHBondContact CA-O 3.49Å; A35-V86 HydrophobicContact CB-CB 3.97Å; A35-V86 HydrophobicContact CB-CG1 4.49Å; A35-V86 HydrophobicContact CB-CG2 3.54Å; A35-V99 HydrophobicContact CB-CG1 3.9Å; A35-I100 PolarHBondContact N-O 2.89Å
36S96.4Very high93.6Very high5 Ų540.2 Ų40.24%0.03522%0.22CC..  trans-157.8143.8-179.1-161.70000112L34 S38 R41 S54 I55L34-S36 PolarHBondContact O-N 3.19Å; S36-S38 PolarHBondContact OG-N 3.37Å; S36-R41 PolarHBondContact OG-NH1 3.29Å; S36-S54 PolarHBondContact O-OG 3.06Å; S36-I55 PolarHBondContact N-O 3.06Å
37T93.4Very high94.1Very high85 Ų8543.2 Ų43.252%0.52124%0.236SC..  trans-90.1-8.217052.80000113.4P39 C56T37-P39 WeakPolarHBondContact O-CD 3.36Å; T37-C56 HydrophobicContact CG2-CB 3.59Å; T37-C56 WeakPolarHBondContact CG2-SG 3.41Å
38S94.1Very high94.4Very high14 Ų1443.9 Ų43.910%0.09824%0.24CC..  trans-61.1119-175.1175.30000112.3S36 R40 R41 K42S36-S38 PolarHBondContact OG-N 3.37Å; S38-R40 PolarHBondContact O-N 2.77Å; S38-R40 PolarHBondContact OG-N 3.23Å; S38-R41 PolarHBondContact O-N 3.13Å; S38-R41 PolarHBondContact OG-N 3.22Å; S38-K42 WeakPolarHBondContact O-CG 3.32Å; S38-K42 PolarHBondContact O-N 3.39Å
39P95.1Very high94.7Very high90 Ų9037.5 Ų37.558%0.58422%0.215SC*.Hα-helixtrans-58.2-37.4175.7-24.834.7000112.5T37 R41 K42 E43T37-P39 WeakPolarHBondContact O-CD 3.36Å; P39-R41 PolarHBondContact O-N 3.16Å; P39-K42 WeakPolarHBondContact O-CB 3.49Å; P39-K42 PolarHBondContact O-N 3.03Å; P39-E43 WeakPolarHBondContact O-CB 3.35Å; P39-E43 PolarHBondContact O-N 3.47Å
40R95.5Very high94.8Very high50 Ų5034.5 Ų34.519%0.18919%0.193CC..Hα-helixtrans-63.6-42.1-179-60.5-179.7-75.1-804.9112S38 E43 I44 D183 V209S38-R40 PolarHBondContact O-N 2.77Å; S38-R40 PolarHBondContact OG-N 3.23Å; R40-E43 WeakPolarHBondContact O-CB 3.32Å; R40-E43 PolarHBondContact O-N 3.05Å; R40-I44 VanDerWaalsContact O-CG1 3.3Å; R40-I44 WeakPolarHBondContact O-CG1 3.33Å; R40-I44 PolarHBondContact O-N 2.82Å; R40-D183 IonicContact CZ-OD2 2.64Å; R40-D183 IonicContact NH1-OD2 3.61Å; R40-D183 PolarHBondContact NH1-OD2 3.15Å; R40-D183 PolarHBondContact NH2-O 2.6Å; R40-D183 IonicContact NH2-OD2 2.83Å; R40-V209 HydrophobicContact CB-CG1 4.01Å
41R97.2Very high94.8Very high24 Ų2440.3 Ų40.39%0.09122%0.22CC..Hα-helixtrans-68.6-36.9177.6-63.5-172.5-176.5113.8-0.1111.9L34 S36 S38 P39 I44 L45 A102 T104 G210 L211L34-R41 HydrophobicContact CD2-CB 4Å; S36-R41 PolarHBondContact OG-NH1 3.29Å; S38-R41 PolarHBondContact O-N 3.13Å; S38-R41 PolarHBondContact OG-N 3.22Å; P39-R41 PolarHBondContact O-N 3.16Å; R41-I44 PolarHBondContact O-N 2.81Å; R41-L45 PolarHBondContact O-N 3.26Å; R41-L45 VanDerWaalsContact O-N 3.1Å; R41-A102 PolarHBondContact NH1-O 2.97Å; R41-T104 PolarHBondContact NH2-OG1 3.45Å; R41-G210 PolarHBondContact NE-O 3.45Å; R41-L211 HydrophobicContact CB-CD2 4.5Å; R41-L211 HydrophobicContact CG-CB 4.27Å
42K97.2Very high94.8Very high79 Ų7940 Ų4034%0.34322%0.216SC..Hα-helixtrans-62.6-44.8173.4-64.1176.5-169.2-160.40111L34 S38 P39 L45 G46 F52 S54L34-K42 HydrophobicContact CD2-CG 3.81Å; S38-K42 WeakPolarHBondContact O-CG 3.32Å; S38-K42 PolarHBondContact O-N 3.39Å; P39-K42 WeakPolarHBondContact O-CB 3.49Å; P39-K42 PolarHBondContact O-N 3.03Å; K42-L45 PolarHBondContact O-N 3.25Å; K42-G46 PolarHBondContact O-N 3.35Å; K42-F52 HydrophobicContact CB-CE2 4.4Å; K42-F52 HydrophobicContact CB-CZ 4.19Å; K42-F52 HydrophobicContact CG-CE2 4.29Å; K42-F52 WeakPolarHBondContact O-CZ 3.44Å; K42-S54 WeakPolarHBondContact CE-OG 3.5Å; K42-S54 PolarHBondContact NZ-OG 3.33Å; K42-S54 VanDerWaalsContact NZ-OG 3.13Å
43E96.6Very high94.8Very high94 Ų9442.3 Ų42.344%0.43923%0.233SC..Hα-helixtrans-60.4-48.8177.1-168.6-166.9162.400111.3P39 R40 L45 G46 N47 Q191P39-E43 WeakPolarHBondContact O-CB 3.35Å; P39-E43 PolarHBondContact O-N 3.47Å; R40-E43 WeakPolarHBondContact O-CB 3.32Å; R40-E43 PolarHBondContact O-N 3.05Å; E43-L45 PolarHBondContact O-N 3.13Å; E43-G46 PolarHBondContact O-N 3.39Å; E43-N47 WeakPolarHBondContact O-CB 3.35Å; E43-N47 PolarHBondContact O-N 2.9Å; E43-N47 PolarHBondContact O-ND2 3.46Å; E43-N47 PolarHBondContact O-OD1 3.05Å; E43-Q191 PolarHBondContact OE2-NE2 3.44Å
44I96.5Very high94.8Very high4 Ų444.1 Ų44.12%0.02125%0.246CC..Hα-helixtrans-56.9-47.9178.2-69.8169.7000111.6R40 R41 N47 I48 F206 V209 L211 V213R40-I44 VanDerWaalsContact O-CG1 3.3Å; R40-I44 WeakPolarHBondContact O-CG1 3.33Å; R40-I44 PolarHBondContact O-N 2.82Å; R41-I44 PolarHBondContact O-N 2.81Å; I44-N47 PolarHBondContact O-N 3.36Å; I44-I48 PolarHBondContact O-N 3.47Å; I44-F206 HydrophobicContact CD1-CD1 4.16Å; I44-F206 HydrophobicContact CG1-CD1 4.04Å; I44-F206 HydrophobicContact CG2-CD1 4.44Å; I44-V209 HydrophobicContact CD1-CB 3.96Å; I44-V209 HydrophobicContact CD1-CG1 3.63Å; I44-V209 HydrophobicContact CG1-CG1 4.39Å; I44-L211 HydrophobicContact CB-CD2 4.36Å; I44-L211 HydrophobicContact CD1-CB 3.86Å; I44-L211 HydrophobicContact CG2-CB 4.34Å; I44-L211 HydrophobicContact CG2-CD2 3.96Å; I44-L211 HydrophobicContact CG2-CG 4.45Å; I44-V213 HydrophobicContact CG2-CB 3.6Å; I44-V213 HydrophobicContact CG2-CG1 4.34Å; I44-V213 HydrophobicContact CG2-CG2 3.58Å
45L95.4Very high94.8Very high0 Ų046.6 Ų46.60%026%0.259CS..Hα-helixtrans-67.9-36.3178.8-70.4-171.6000112.7L34 R41 K42 E43 N47 I48 L50 F52 L211 L216L34-L45 HydrophobicContact CB-CD1 4.1Å; L34-L45 HydrophobicContact CD1-CD1 3.99Å; L34-L45 HydrophobicContact CD2-CD1 4.1Å; L34-L45 HydrophobicContact CG-CD1 4.26Å; R41-L45 PolarHBondContact O-N 3.26Å; R41-L45 VanDerWaalsContact O-N 3.1Å; K42-L45 PolarHBondContact O-N 3.25Å; E43-L45 PolarHBondContact O-N 3.13Å; L45-N47 VanDerWaalsContact C-N 3.35Å; L45-I48 HydrophobicContact CD2-CD1 4.03Å; L45-I48 WeakPolarHBondContact O-CG1 3.29Å; L45-I48 PolarHBondContact O-N 2.93Å; L45-L50 HydrophobicContact CD2-CD2 4.14Å; L45-L50 PolarHBondContact O-N 2.65Å; L45-F52 HydrophobicContact CB-CD1 3.82Å; L45-F52 HydrophobicContact CB-CE1 3.38Å; L45-F52 HydrophobicContact CB-CE2 4.43Å; L45-F52 HydrophobicContact CB-CZ 3.74Å; L45-F52 HydrophobicContact CD1-CD1 4.37Å; L45-F52 HydrophobicContact CD1-CD2 4.3Å; L45-F52 HydrophobicContact CD1-CE1 4.48Å; L45-F52 HydrophobicContact CD1-CE2 4.39Å; L45-F52 HydrophobicContact CD1-CG 4.32Å; L45-F52 HydrophobicContact CD1-CZ 4.5Å; L45-L211 HydrophobicContact CD2-CD2 3.74Å; L45-L211 HydrophobicContact CG-CD2 3.85Å; L45-L216 HydrophobicContact CD2-CD2 3.6Å
46G93.8Very high94.6Very high40 Ų4050.3 Ų50.341%0.41228%0.283SS..Hα-helixtrans-64.4-40.3174.700000112.1K42 E43 I48 G49K42-G46 PolarHBondContact O-N 3.35Å; E43-G46 PolarHBondContact O-N 3.39Å; G46-I48 VanDerWaalsContact C-N 3.26Å; G46-I48 PolarHBondContact O-N 3.21Å; G46-G49 WeakPolarHBondContact O-CA 3.41Å; G46-G49 PolarHBondContact O-N 2.94Å
47N92.4Very high94.3Very high115 Ų11550.8 Ų50.862%0.61529%0.286SS*.Hα-helixtrans-64.7-27.9-179.3-72.5-14.3000113.2E43 I44 L45 G49E43-N47 WeakPolarHBondContact O-CB 3.35Å; E43-N47 PolarHBondContact O-N 2.9Å; E43-N47 PolarHBondContact O-ND2 3.46Å; E43-N47 PolarHBondContact O-OD1 3.05Å; I44-N47 PolarHBondContact O-N 3.36Å; L45-N47 VanDerWaalsContact C-N 3.35Å; N47-G49 VanDerWaalsContact C-N 3.26Å
48I90.7Very high94.1Very high25 Ų2554.2 Ų54.213%0.12830%0.302CS..THydrogen-bonded Turntrans-874.5173.663.4164.9000113.5S17 I44 L45 G46 L50 V213 C217S17-I48 PolarHBondContact N-O 3.14Å; I44-I48 PolarHBondContact O-N 3.47Å; L45-I48 HydrophobicContact CD2-CD1 4.03Å; L45-I48 WeakPolarHBondContact O-CG1 3.29Å; L45-I48 PolarHBondContact O-N 2.93Å; G46-I48 VanDerWaalsContact C-N 3.26Å; G46-I48 PolarHBondContact O-N 3.21Å; I48-L50 VanDerWaalsContact C-N 3.33Å; I48-L50 HydrophobicContact CD1-CB 4.27Å; I48-L50 HydrophobicContact CG1-CB 4.16Å; I48-L50 PolarHBondContact O-N 2.72Å; I48-V213 HydrophobicContact CD1-CG2 3.96Å; I48-V213 HydrophobicContact CG2-CG2 3.65Å; I48-C217 VanDerWaalsContact CD1-SG 3.5Å
49G89.2Confident93.8Very high10 Ų1055.8 Ų55.810%0.10331%0.31CS..THydrogen-bonded Turntrans77.613.417600000115.4I14 G46 N47 Q51I14-G49 WeakPolarHBondContact CG2-O 3.29Å; G46-G49 WeakPolarHBondContact O-CA 3.41Å; G46-G49 PolarHBondContact O-N 2.94Å; N47-G49 VanDerWaalsContact C-N 3.26Å; G49-Q51 PolarHBondContact O-N 2.87Å
50L90.2Very high93.1Very high7 Ų759 Ų594%0.03732%0.318CS..  trans-71130.8-180-157.363.1000109.5L16 L20 I32 L45 I48 F52 I100 L220L16-L50 HydrophobicContact CD1-CD1 3.89Å; L20-L50 HydrophobicContact CD1-CD1 4.31Å; I32-L50 HydrophobicContact CD1-CD1 3.39Å; I32-L50 HydrophobicContact CD1-CD2 4.03Å; I32-L50 HydrophobicContact CD1-CG 3.64Å; I32-L50 HydrophobicContact CG2-CD2 3.84Å; I32-L50 HydrophobicContact CG2-CG 4.3Å; L45-L50 HydrophobicContact CD2-CD2 4.14Å; L45-L50 PolarHBondContact O-N 2.65Å; I48-L50 VanDerWaalsContact C-N 3.33Å; I48-L50 HydrophobicContact CD1-CB 4.27Å; I48-L50 HydrophobicContact CG1-CB 4.16Å; I48-L50 PolarHBondContact O-N 2.72Å; L50-F52 HydrophobicContact CB-CD1 4.35Å; L50-F52 VanDerWaalsContact O-CD1 3.28Å; L50-F52 WeakPolarHBondContact O-CD1 3.45Å; L50-I100 HydrophobicContact CD2-CD1 4.49Å; L50-L220 HydrophobicContact CD2-CD1 4.14Å
51Q91.1Very high92.3Very high130 Ų13060.9 Ų60.961%0.60733%0.329SS*.  trans-84.6117.4168.3-63.1-57.2-5100108.1G49G49-Q51 PolarHBondContact O-N 2.87Å
52F95.1Very high91.3Very high55 Ų5563.7 Ų63.724%0.24135%0.352CS..  trans-147.1156.8-178.967.3-81.1000111.1I32 L34 K42 L45 L50I32-F52 HydrophobicContact CB-CB 3.99Å; I32-F52 HydrophobicContact CG2-CB 3.78Å; I32-F52 CarbonylContact O-C 3.55Å; I32-F52 WeakPolarHBondContact O-CA 3.35Å; I32-F52 WeakPolarHBondContact O-CB 3.25Å; L34-F52 HydrophobicContact CB-CD2 3.76Å; L34-F52 HydrophobicContact CB-CE2 4.06Å; L34-F52 HydrophobicContact CD2-CE2 3.98Å; K42-F52 HydrophobicContact CB-CE2 4.4Å; K42-F52 HydrophobicContact CB-CZ 4.19Å; K42-F52 HydrophobicContact CG-CE2 4.29Å; K42-F52 WeakPolarHBondContact O-CZ 3.44Å; L45-F52 HydrophobicContact CB-CD1 3.82Å; L45-F52 HydrophobicContact CB-CE1 3.38Å; L45-F52 HydrophobicContact CB-CE2 4.43Å; L45-F52 HydrophobicContact CB-CZ 3.74Å; L45-F52 HydrophobicContact CD1-CD1 4.37Å; L45-F52 HydrophobicContact CD1-CD2 4.3Å; L45-F52 HydrophobicContact CD1-CE1 4.48Å; L45-F52 HydrophobicContact CD1-CE2 4.39Å; L45-F52 HydrophobicContact CD1-CG 4.32Å; L45-F52 HydrophobicContact CD1-CZ 4.5Å; L50-F52 HydrophobicContact CB-CD1 4.35Å; L50-F52 VanDerWaalsContact O-CD1 3.28Å; L50-F52 WeakPolarHBondContact O-CD1 3.45Å
53S97Very high90.6Very high58 Ų5862.5 Ų62.541%0.40635%0.349SS..EExtended strand (participates in β ladder)trans-101.6158.116468.70000109.9I32 I33 L34I32-S53 PolarHBondContact O-N 3.3Å; I33-S53 CarbonylContact C-O 3.26Å; I33-S53 WeakPolarHBondContact CA-O 3.46Å; L34-S53 PolarHBondContact N-O 2.95Å
54S97.6Very high90.1Very high42 Ų4260.7 Ų60.729%0.29435%0.345SS..EExtended strand (participates in β ladder)trans-119.8128.8177.3162.60000109.5L34 S36 K42L34-S54 WeakPolarHBondContact O-CA 3.26Å; S36-S54 PolarHBondContact O-OG 3.06Å; K42-S54 WeakPolarHBondContact CE-OG 3.5Å; K42-S54 PolarHBondContact NZ-OG 3.33Å; K42-S54 VanDerWaalsContact NZ-OG 3.13Å
55I97.5Very high89.6Confident52 Ų5263.2 Ų63.227%0.26736%0.363SS..  trans-120.6136178.1-58.8-179000107.9I33 L34 A35 S36 P57 V86 L90I33-I55 HydrophobicContact CD1-CD1 4.11Å; I33-I55 HydrophobicContact CG2-CB 4.21Å; I33-I55 HydrophobicContact CG2-CD1 3.83Å; I33-I55 HydrophobicContact CG2-CG1 3.88Å; L34-I55 PolarHBondContact O-N 3.28Å; A35-I55 CarbonylContact C-O 3.51Å; A35-I55 WeakPolarHBondContact CA-O 3.49Å; S36-I55 PolarHBondContact N-O 3.06Å; I55-P57 WeakPolarHBondContact O-CD 3.32Å; I55-V86 HydrophobicContact CB-CG1 3.93Å; I55-V86 HydrophobicContact CB-CG2 4.13Å; I55-V86 HydrophobicContact CD1-CG1 4Å; I55-V86 HydrophobicContact CG1-CG1 4.48Å; I55-V86 HydrophobicContact CG2-CG1 4.03Å; I55-V86 HydrophobicContact CG2-CG2 3.92Å; I55-L90 HydrophobicContact CD1-CD2 3.87Å
56C94.9Very high89.2Confident77 Ų7771.2 Ų71.252%0.5240%0.401SS..  trans-70.3123.1173.6-174.70000109.2T37 D58T37-C56 HydrophobicContact CG2-CB 3.59Å; T37-C56 WeakPolarHBondContact CG2-SG 3.41Å; C56-D58 PolarHBondContact O-N 3.42Å; C56-D58 VanDerWaalsContact O-N 3.14Å
57P90.4Very high89.1Confident15 Ų1575 Ų7510%0.09741%0.412CS..  trans-71.5106.3168.529.8-30.9000108.1I55 V59 K82 A85 V86I55-P57 WeakPolarHBondContact O-CD 3.32Å; P57-V59 VanDerWaalsContact C-N 3.26Å; P57-V59 HydrophobicContact CB-CG1 4.29Å; P57-V59 PolarHBondContact O-N 3.47Å; P57-K82 HydrophobicContact CB-CB 3.77Å; P57-K82 HydrophobicContact CB-CG 4Å; P57-K82 HydrophobicContact CG-CB 3.98Å; P57-K82 HydrophobicContact CG-CD 4.27Å; P57-K82 HydrophobicContact CG-CG 3.91Å; P57-A85 HydrophobicContact CB-CB 4.45Å; P57-V86 HydrophobicContact CB-CG2 4.15Å
58D88.5Confident89Confident158 Ų15872.5 Ų72.585%0.84540%0.395SS*.  trans-82.675176.1-168.818.2000109.4C56C56-D58 PolarHBondContact O-N 3.42Å; C56-D58 VanDerWaalsContact O-N 3.14Å
59V87.6Confident89Confident46 Ų4681.2 Ų81.228%0.27944%0.436SS..SBendtrans-146.6140.6-178.669.60000111.1P57 L81 K82 A85P57-V59 VanDerWaalsContact C-N 3.26Å; P57-V59 HydrophobicContact CB-CG1 4.29Å; P57-V59 PolarHBondContact O-N 3.47Å; V59-L81 HydrophobicContact CG1-CD2 4.42Å; V59-L81 HydrophobicContact CG1-CG 4.1Å; V59-L81 HydrophobicContact CG2-CD1 3.94Å; V59-L81 HydrophobicContact CG2-CD2 3.85Å; V59-L81 HydrophobicContact CG2-CG 3.69Å; V59-K82 HydrophobicContact CG1-CG 4.42Å; V59-A85 HydrophobicContact CB-CB 3.84Å; V59-A85 HydrophobicContact CG1-CB 3.95Å
60E81.9Confident89.2Confident159 Ų15983.4 Ų83.474%0.74345%0.449SS*.  trans-72.7126.7172.6-170.7176.2-174.500110.1S62 L81E60-S62 PolarHBondContact O-N 3Å; E60-S62 VanDerWaalsContact O-N 3.12Å; E60-L81 WeakPolarHBondContact O-CD2 3.49Å
61E77.7Confident89.4Confident89 Ų8985.2 Ų85.242%0.41646%0.459SS..  trans-8322-175.8-56.1-177.7-164.900112.8L63 I78 K82E61-L63 VanDerWaalsContact C-N 3.35Å; E61-L63 PolarHBondContact O-N 2.85Å; E61-I78 HydrophobicContact CB-CG2 4.44Å; E61-K82 WeakPolarHBondContact OE1-CE 3.37Å; E61-K82 IonicContact OE1-NZ 2.69Å; E61-K82 PolarHBondContact OE1-NZ 3.13Å; E61-K82 WeakPolarHBondContact OE2-CE 3.36Å; E61-K82 IonicContact OE2-NZ 3.9Å; E61-K82 PolarHBondContact OE2-NZ 2.83Å
62S76Confident89.6Confident82 Ų8280.3 Ų80.357%0.57344%0.438SS*.  trans-82.274.7-175.6178.30000111.8E60E60-S62 PolarHBondContact O-N 3Å; E60-S62 VanDerWaalsContact O-N 3.12Å
63L83.6Confident89.6Confident54 Ų5479.3 Ų79.328%0.28344%0.44SS..  trans-101.9120163.4-64.1179.9000108.4E61 S65 F68 H74 A77 I78 L81E61-L63 VanDerWaalsContact C-N 3.35Å; E61-L63 PolarHBondContact O-N 2.85Å; L63-S65 PolarHBondContact O-N 3.26Å; L63-F68 HydrophobicContact CB-CE2 4.04Å; L63-F68 HydrophobicContact CB-CZ 4.38Å; L63-F68 HydrophobicContact CD1-CZ 4.14Å; L63-H74 PolarHBondContact O-NE2 2.97Å; L63-A77 HydrophobicContact CD1-CB 4.03Å; L63-I78 HydrophobicContact CB-CG1 4.36Å; L63-I78 HydrophobicContact CD1-CG1 3.93Å; L63-I78 HydrophobicContact CG-CG1 4.45Å; L63-L81 HydrophobicContact CD1-CD2 4.3Å; L63-L81 HydrophobicContact CG-CD2 4.3Å
64P85.3Confident89.4Confident56 Ų5677 Ų7736%0.36442%0.422SS..  trans-64.8125.1174.8-22.833.3000110.5E66 N67 F68P64-E66 HydrophobicContact CB-CG 4.02Å; P64-E66 PolarHBondContact O-N 2.8Å; P64-N67 WeakPolarHBondContact O-CB 3.44Å; P64-N67 PolarHBondContact O-N 3.2Å; P64-N67 VanDerWaalsContact O-N 3.08Å; P64-F68 WeakPolarHBondContact O-CD2 3.42Å
65S85.3Confident89.3Confident57 Ų5775 Ų7540%0.39941%0.408SS..G310 helixtrans-61-28.8-177.453.40000113.3L63 N67 F68 H74L63-S65 PolarHBondContact O-N 3.26Å; S65-N67 PolarHBondContact O-N 3.43Å; S65-F68 PolarHBondContact O-N 2.69Å; S65-H74 WeakPolarHBondContact CB-ND1 3.5Å
66E87.7Confident89.2Confident168 Ų16874.2 Ų74.279%0.78540%0.404SS*.G310 helixtrans-68.2-14.4177.853.1-150.117500114.6P64 F68P64-E66 HydrophobicContact CB-CG 4.02Å; P64-E66 PolarHBondContact O-N 2.8Å; E66-F68 PolarHBondContact O-N 3.22Å
67N91.3Very high89.3Confident121 Ų12171.6 Ų71.665%0.64739%0.388SS*.G310 helixtrans-79.5-2.9172.7-69-19.4000113.3P64 S65P64-N67 WeakPolarHBondContact O-CB 3.44Å; P64-N67 PolarHBondContact O-N 3.2Å; P64-N67 VanDerWaalsContact O-N 3.08Å; S65-N67 PolarHBondContact O-N 3.43Å
68F91.3Very high89.5Confident62 Ų6271 Ų7127%0.27238%0.384SS..SBendtrans-116.4145.7-175.3-63.1-90.6000111.5L63 P64 S65 E66 S70 H74 A77L63-F68 HydrophobicContact CB-CE2 4.04Å; L63-F68 HydrophobicContact CB-CZ 4.38Å; L63-F68 HydrophobicContact CD1-CZ 4.14Å; P64-F68 WeakPolarHBondContact O-CD2 3.42Å; S65-F68 PolarHBondContact O-N 2.69Å; E66-F68 PolarHBondContact O-N 3.22Å; F68-S70 PolarHBondContact O-N 3.15Å; F68-H74 HydrophobicContact CB-CB 3.86Å; F68-H74 HydrophobicContact CD1-CB 4.4Å; F68-H74 HydrophobicContact CD2-CB 3.74Å; F68-H74 AromaticContact CD2-CD2 3.49Å; F68-H74 VanDerWaalsContact CD2-CD2 3.49Å; F68-H74 WeakPolarHBondContact CD2-CD2 3.43Å; F68-H74 AromaticContact CD2-CG 3.83Å; F68-H74 HydrophobicContact CE2-CB 4.45Å; F68-H74 AromaticContact CE2-CD2 3.44Å; F68-H74 VanDerWaalsContact CE2-CD2 3.44Å; F68-H74 WeakPolarHBondContact CE2-CD2 3.3Å; F68-H74 HydrophobicContact CG-CB 3.73Å; F68-A77 HydrophobicContact CD1-CB 4.25Å; F68-A77 HydrophobicContact CE1-CB 3.3Å; F68-A77 HydrophobicContact CZ-CB 3.58Å
69Q90.8Very high90Very high208 Ų20863.5 Ų63.597%0.97234%0.343SS*.SBendtrans-66.8-20.1179.7-66.5-178.1-21.400113.4
70S93.2Very high90.4Very high56 Ų5664.7 Ų64.739%0.39235%0.345SS..SBendtrans-157.8157.2179.969.50000111.2F68 A73 H74F68-S70 PolarHBondContact O-N 3.15Å; S70-A73 PolarHBondContact O-N 3.44Å; S70-A73 WeakPolarHBondContact OG-CB 3.5Å; S70-A73 PolarHBondContact OG-N 3.26Å; S70-H74 PolarHBondContact O-N 3.34Å; S70-H74 VanDerWaalsContact O-N 3.12Å
71I92.9Very high91.2Very high45 Ų4559.5 Ų59.523%0.23132%0.322CS..Hα-helixtrans-59-44.9176.1-58.6176.4000112A73 H74 I75 C107 I112 I137I71-A73 VanDerWaalsContact C-N 3.33Å; I71-A73 PolarHBondContact O-N 3.27Å; I71-H74 WeakPolarHBondContact O-CB 3.48Å; I71-H74 PolarHBondContact O-N 2.98Å; I71-I75 HydrophobicContact CG2-CD1 3.77Å; I71-I75 HydrophobicContact CG2-CG1 4.33Å; I71-I75 WeakPolarHBondContact O-CG1 3.49Å; I71-I75 PolarHBondContact O-N 2.89Å; I71-I75 VanDerWaalsContact O-N 3.08Å; I71-C107 VanDerWaalsContact CG2-SG 3.6Å; I71-I112 HydrophobicContact CB-CD1 4.45Å; I71-I112 HydrophobicContact CD1-CD1 4.26Å; I71-I112 HydrophobicContact CD1-CG1 3.91Å; I71-I112 HydrophobicContact CG1-CD1 4.03Å; I71-I112 HydrophobicContact CG1-CG1 4.25Å; I71-I112 HydrophobicContact CG2-CD1 3.78Å; I71-I112 HydrophobicContact CG2-CG1 4.03Å; I71-I137 HydrophobicContact CG2-CD1 4.22Å
72P95.2Very high92.1Very high26 Ų2655.7 Ų55.717%0.16930%0.304CS..Hα-helixtrans-58.8-40.9175.9-26.135.2000113.9H74 I75 E76 I137 H157P72-H74 VanDerWaalsContact C-N 3.3Å; P72-H74 PolarHBondContact O-N 3.15Å; P72-I75 PolarHBondContact O-N 3.4Å; P72-E76 WeakPolarHBondContact O-CG 3.26Å; P72-E76 PolarHBondContact O-N 2.93Å; P72-I137 HydrophobicContact CB-CG2 4.49Å; P72-I137 HydrophobicContact CG-CD1 4.4Å; P72-H157 HydrophobicContact CB-CB 4.4Å
73A95Very high93.2Very high34 Ų3451.8 Ų51.828%0.28128%0.277SS..Hα-helixtrans-64-36.6177.500000112.3S70 I71 A77S70-A73 PolarHBondContact O-N 3.44Å; S70-A73 WeakPolarHBondContact OG-CB 3.5Å; S70-A73 PolarHBondContact OG-N 3.26Å; I71-A73 VanDerWaalsContact C-N 3.33Å; I71-A73 PolarHBondContact O-N 3.27Å; A73-A77 WeakPolarHBondContact O-CB 3.29Å; A73-A77 PolarHBondContact O-N 3.47Å; A73-A77 VanDerWaalsContact O-N 3.07Å
74H94.3Very high93.8Very high9 Ų950.6 Ų50.64%0.04227%0.271CS..Hα-helixtrans-61.7-47.7173.3175.6-140.7000111.9L63 S65 F68 S70 I71 P72 E76 A77 I78L63-H74 PolarHBondContact O-NE2 2.97Å; S65-H74 WeakPolarHBondContact CB-ND1 3.5Å; F68-H74 HydrophobicContact CB-CB 3.86Å; F68-H74 HydrophobicContact CD1-CB 4.4Å; F68-H74 HydrophobicContact CD2-CB 3.74Å; F68-H74 AromaticContact CD2-CD2 3.49Å; F68-H74 VanDerWaalsContact CD2-CD2 3.49Å; F68-H74 WeakPolarHBondContact CD2-CD2 3.43Å; F68-H74 AromaticContact CD2-CG 3.83Å; F68-H74 HydrophobicContact CE2-CB 4.45Å; F68-H74 AromaticContact CE2-CD2 3.44Å; F68-H74 VanDerWaalsContact CE2-CD2 3.44Å; F68-H74 WeakPolarHBondContact CE2-CD2 3.3Å; F68-H74 HydrophobicContact CG-CB 3.73Å; S70-H74 PolarHBondContact O-N 3.34Å; S70-H74 VanDerWaalsContact O-N 3.12Å; I71-H74 WeakPolarHBondContact O-CB 3.48Å; I71-H74 PolarHBondContact O-N 2.98Å; P72-H74 VanDerWaalsContact C-N 3.3Å; P72-H74 PolarHBondContact O-N 3.15Å; H74-E76 PolarHBondContact O-N 2.9Å; H74-A77 WeakPolarHBondContact O-CB 3.46Å; H74-A77 PolarHBondContact O-N 3.26Å; H74-A77 VanDerWaalsContact O-N 3.17Å; H74-I78 WeakPolarHBondContact NE2-CD1 3.27Å; H74-I78 PolarHBondContact O-N 3.31Å; H74-I78 VanDerWaalsContact O-N 3.08Å
75I94.4Very high94.4Very high0 Ų048.8 Ų48.80%026%0.261CS..Hα-helixtrans-67.7-38.4-178.4-58.5166.8000111.1I71 P72 A77 I78 A79 D103 M105 I137 G139I71-I75 HydrophobicContact CG2-CD1 3.77Å; I71-I75 HydrophobicContact CG2-CG1 4.33Å; I71-I75 WeakPolarHBondContact O-CG1 3.49Å; I71-I75 PolarHBondContact O-N 2.89Å; I71-I75 VanDerWaalsContact O-N 3.08Å; P72-I75 PolarHBondContact O-N 3.4Å; I75-A77 VanDerWaalsContact C-N 3.31Å; I75-A77 PolarHBondContact O-N 3.21Å; I75-I78 PolarHBondContact O-N 2.96Å; I75-A79 PolarHBondContact O-N 3.14Å; I75-D103 HydrophobicContact CG2-CB 4.03Å; I75-D103 WeakPolarHBondContact CG2-O 3.33Å; I75-M105 HydrophobicContact CD1-CB 3.79Å; I75-M105 HydrophobicContact CD1-CG 4.1Å; I75-M105 HydrophobicContact CD1-SD 4.12Å; I75-M105 HydrophobicContact CG1-CB 4.32Å; I75-M105 HydrophobicContact CG1-CG 4.06Å; I75-M105 HydrophobicContact CG1-SD 3.68Å; I75-I137 HydrophobicContact CD1-CB 3.66Å; I75-I137 HydrophobicContact CD1-CG2 3.64Å; I75-G139 VanDerWaalsContact CG2-N 3.29Å
76E96.8Very high95Very high37 Ų3746.1 Ų46.117%0.17324%0.242CC..Hα-helixtrans-59-41.9171.5-74.9-178.3-175.200112P72 H74 I78 A79 K80 F156 H157P72-E76 WeakPolarHBondContact O-CG 3.26Å; P72-E76 PolarHBondContact O-N 2.93Å; H74-E76 PolarHBondContact O-N 2.9Å; E76-I78 PolarHBondContact O-N 3.22Å; E76-A79 WeakPolarHBondContact O-CB 3.38Å; E76-A79 PolarHBondContact O-N 3.48Å; E76-K80 WeakPolarHBondContact O-CB 3.34Å; E76-K80 PolarHBondContact O-N 3.4Å; E76-F156 VanDerWaalsContact OE1-CA 3.27Å; E76-F156 WeakPolarHBondContact OE1-CA 3.38Å; E76-H157 HydrophobicContact CG-CB 4.15Å; E76-H157 IonicContact OE1-CE1 2.86Å; E76-H157 IonicContact OE1-CG 3.64Å; E76-H157 PolarHBondContact OE1-N 2.69Å; E76-H157 VanDerWaalsContact OE1-N 3.08Å; E76-H157 IonicContact OE1-ND1 3.51Å; E76-H157 PolarHBondContact OE1-ND1 2.78Å
77A96.4Very high95.4Very high22 Ų2239 Ų3918%0.18221%0.21CC..Hα-helixtrans-64.8-38.3178.100000112.6L63 F68 A73 H74 I75 K80 L81L63-A77 HydrophobicContact CD1-CB 4.03Å; F68-A77 HydrophobicContact CD1-CB 4.25Å; F68-A77 HydrophobicContact CE1-CB 3.3Å; F68-A77 HydrophobicContact CZ-CB 3.58Å; A73-A77 WeakPolarHBondContact O-CB 3.29Å; A73-A77 PolarHBondContact O-N 3.47Å; A73-A77 VanDerWaalsContact O-N 3.07Å; H74-A77 WeakPolarHBondContact O-CB 3.46Å; H74-A77 PolarHBondContact O-N 3.26Å; H74-A77 VanDerWaalsContact O-N 3.17Å; I75-A77 VanDerWaalsContact C-N 3.31Å; I75-A77 PolarHBondContact O-N 3.21Å; A77-K80 PolarHBondContact O-N 2.76Å; A77-L81 WeakPolarHBondContact O-CB 3.44Å; A77-L81 PolarHBondContact O-N 3.14Å
78I95.4Very high95.6Very high2 Ų239.6 Ų39.61%0.0121%0.213CC..Hα-helixtrans-64.2-45.1172.7-65.3170.7000110.5E61 L63 H74 I75 E76 K80 L81 K82 D103 M105E61-I78 HydrophobicContact CB-CG2 4.44Å; L63-I78 HydrophobicContact CB-CG1 4.36Å; L63-I78 HydrophobicContact CD1-CG1 3.93Å; L63-I78 HydrophobicContact CG-CG1 4.45Å; H74-I78 WeakPolarHBondContact NE2-CD1 3.27Å; H74-I78 PolarHBondContact O-N 3.31Å; H74-I78 VanDerWaalsContact O-N 3.08Å; I75-I78 PolarHBondContact O-N 2.96Å; E76-I78 PolarHBondContact O-N 3.22Å; I78-K80 VanDerWaalsContact C-N 3.28Å; I78-K80 PolarHBondContact O-N 3.33Å; I78-L81 WeakPolarHBondContact O-CB 3.42Å; I78-L81 PolarHBondContact O-N 2.99Å; I78-K82 PolarHBondContact O-N 3.32Å; I78-K82 VanDerWaalsContact O-N 3.1Å; I78-D103 HydrophobicContact CB-CB 4.21Å; I78-D103 HydrophobicContact CG2-CB 3.79Å; I78-M105 HydrophobicContact CD1-CE 3.37Å
79A97.2Very high95.8Very high0 Ų041.3 Ų41.30%023%0.229CC..Hα-helixtrans-59.3-41.3176.500000111.4I75 E76 K82 V83 D103 G139 C141I75-A79 PolarHBondContact O-N 3.14Å; E76-A79 WeakPolarHBondContact O-CB 3.38Å; E76-A79 PolarHBondContact O-N 3.48Å; A79-K82 PolarHBondContact O-N 3.44Å; A79-V83 WeakPolarHBondContact O-CG2 3.44Å; A79-V83 PolarHBondContact O-N 2.84Å; A79-V83 VanDerWaalsContact O-N 3.17Å; A79-D103 HydrophobicContact CB-CB 4.44Å; A79-G139 WeakPolarHBondContact CB-O 3.38Å; A79-C141 HydrophobicContact CB-CB 4.24Å
80K97.7Very high96Very high71 Ų7132.8 Ų32.831%0.30919%0.189SC..Hα-helixtrans-64.3-42174.4-178.1-176.6177.6-63.20112.5E76 A77 I78 K82 V83 D84 C141E76-K80 WeakPolarHBondContact O-CB 3.34Å; E76-K80 PolarHBondContact O-N 3.4Å; A77-K80 PolarHBondContact O-N 2.76Å; I78-K80 VanDerWaalsContact C-N 3.28Å; I78-K80 PolarHBondContact O-N 3.33Å; K80-K82 VanDerWaalsContact C-N 3.28Å; K80-K82 PolarHBondContact O-N 3.39Å; K80-V83 PolarHBondContact O-N 2.95Å; K80-V83 VanDerWaalsContact O-N 3.16Å; K80-D84 IonicContact NZ-OD1 3.8Å; K80-D84 IonicContact NZ-OD2 2.61Å; K80-D84 PolarHBondContact NZ-OD2 2.96Å; K80-D84 VanDerWaalsContact O-CG 3.31Å; K80-D84 PolarHBondContact O-N 3.4Å; K80-C141 HydrophobicContact CB-CB 4.21Å
81L97Very high95.9Very high50 Ų5034 Ų3426%0.26219%0.192SC..Hα-helixtrans-57.7-42.5177.3-175.266.3000111.4V59 E60 L63 A77 I78 D84 A85V59-L81 HydrophobicContact CG1-CD2 4.42Å; V59-L81 HydrophobicContact CG1-CG 4.1Å; V59-L81 HydrophobicContact CG2-CD1 3.94Å; V59-L81 HydrophobicContact CG2-CD2 3.85Å; V59-L81 HydrophobicContact CG2-CG 3.69Å; E60-L81 WeakPolarHBondContact O-CD2 3.49Å; L63-L81 HydrophobicContact CD1-CD2 4.3Å; L63-L81 HydrophobicContact CG-CD2 4.3Å; A77-L81 WeakPolarHBondContact O-CB 3.44Å; A77-L81 PolarHBondContact O-N 3.14Å; I78-L81 WeakPolarHBondContact O-CB 3.42Å; I78-L81 PolarHBondContact O-N 2.99Å; L81-D84 PolarHBondContact O-N 3.4Å; L81-A85 WeakPolarHBondContact O-CB 3.22Å; L81-A85 PolarHBondContact O-N 3.39Å
82K97.4Very high95.9Very high9 Ų934.9 Ų34.94%0.03920%0.196CC..Hα-helixtrans-62.7-43.9175.2-67.1175.2-174.4-175.60112.4P57 V59 E61 I78 A79 K80 V86 D103P57-K82 HydrophobicContact CB-CB 3.77Å; P57-K82 HydrophobicContact CB-CG 4Å; P57-K82 HydrophobicContact CG-CB 3.98Å; P57-K82 HydrophobicContact CG-CD 4.27Å; P57-K82 HydrophobicContact CG-CG 3.91Å; V59-K82 HydrophobicContact CG1-CG 4.42Å; E61-K82 WeakPolarHBondContact OE1-CE 3.37Å; E61-K82 IonicContact OE1-NZ 2.69Å; E61-K82 PolarHBondContact OE1-NZ 3.13Å; E61-K82 WeakPolarHBondContact OE2-CE 3.36Å; E61-K82 IonicContact OE2-NZ 3.9Å; E61-K82 PolarHBondContact OE2-NZ 2.83Å; I78-K82 PolarHBondContact O-N 3.32Å; I78-K82 VanDerWaalsContact O-N 3.1Å; A79-K82 PolarHBondContact O-N 3.44Å; K80-K82 VanDerWaalsContact C-N 3.28Å; K80-K82 PolarHBondContact O-N 3.39Å; K82-V86 PolarHBondContact O-N 3.19Å; K82-D103 IonicContact NZ-OD1 3.79Å; K82-D103 PolarHBondContact NZ-OD1 2.89Å
83V98.3Very high95.6Very high0 Ų037.7 Ų37.70%022%0.217CC..Hα-helixtrans-62.4-47.4176.2170.50000111.1A79 K80 A85 V86 V87 V99 C141 K143A79-V83 WeakPolarHBondContact O-CG2 3.44Å; A79-V83 PolarHBondContact O-N 2.84Å; A79-V83 VanDerWaalsContact O-N 3.17Å; K80-V83 PolarHBondContact O-N 2.95Å; K80-V83 VanDerWaalsContact O-N 3.16Å; V83-A85 VanDerWaalsContact C-N 3.34Å; V83-A85 PolarHBondContact O-N 3.31Å; V83-V86 PolarHBondContact O-N 3.43Å; V83-V87 HydrophobicContact CG1-CG2 4.14Å; V83-V87 WeakPolarHBondContact O-CB 3.45Å; V83-V87 VanDerWaalsContact O-CG2 3.24Å; V83-V87 WeakPolarHBondContact O-CG2 3.3Å; V83-V87 PolarHBondContact O-N 3.3Å; V83-V99 HydrophobicContact CB-CG1 4.47Å; V83-V99 HydrophobicContact CG1-CB 4.04Å; V83-V99 HydrophobicContact CG1-CG1 3.97Å; V83-V99 HydrophobicContact CG2-CG1 4.47Å; V83-C141 HydrophobicContact CB-CB 4.46Å; V83-C141 HydrophobicContact CG2-CB 3.82Å; V83-K143 HydrophobicContact CG1-CB 3.53Å
84D97.2Very high95.2Very high29 Ų2943.5 Ų43.516%0.15524%0.238CC..Hα-helixtrans-61.5-42.9-179.6-71.1-20.3000111.7K80 L81 V86 V87 N88 K143K80-D84 IonicContact NZ-OD1 3.8Å; K80-D84 IonicContact NZ-OD2 2.61Å; K80-D84 PolarHBondContact NZ-OD2 2.96Å; K80-D84 VanDerWaalsContact O-CG 3.31Å; K80-D84 PolarHBondContact O-N 3.4Å; L81-D84 PolarHBondContact O-N 3.4Å; D84-V86 VanDerWaalsContact C-N 3.33Å; D84-V86 PolarHBondContact O-N 2.98Å; D84-V87 PolarHBondContact O-N 3.04Å; D84-N88 PolarHBondContact O-N 2.83Å; D84-N88 PolarHBondContact O-ND2 3.47Å; D84-K143 VanDerWaalsContact OD1-CE 3.25Å; D84-K143 WeakPolarHBondContact OD1-CE 3.18Å; D84-K143 IonicContact OD1-NZ 2.67Å; D84-K143 PolarHBondContact OD1-NZ 3.19Å
85A97.2Very high95.1Very high19 Ų1949.6 Ų49.616%0.15726%0.261CS..Hα-helixtrans-57.5-45.7176.900000111.9P57 V59 L81 V83 T89P57-A85 HydrophobicContact CB-CB 4.45Å; V59-A85 HydrophobicContact CB-CB 3.84Å; V59-A85 HydrophobicContact CG1-CB 3.95Å; L81-A85 WeakPolarHBondContact O-CB 3.22Å; L81-A85 PolarHBondContact O-N 3.39Å; V83-A85 VanDerWaalsContact C-N 3.34Å; V83-A85 PolarHBondContact O-N 3.31Å; A85-T89 WeakPolarHBondContact O-CG2 3.45Å
86V97.6Very high95Very high1 Ų151.7 Ų51.71%0.00627%0.272CS..Hα-helixtrans-67.9-44.1176.6171.30000111.2I33 A35 I55 P57 K82 V83 D84 N88 T89 L90 V99I33-V86 HydrophobicContact CG2-CG1 3.88Å; A35-V86 HydrophobicContact CB-CB 3.97Å; A35-V86 HydrophobicContact CB-CG1 4.49Å; A35-V86 HydrophobicContact CB-CG2 3.54Å; I55-V86 HydrophobicContact CB-CG1 3.93Å; I55-V86 HydrophobicContact CB-CG2 4.13Å; I55-V86 HydrophobicContact CD1-CG1 4Å; I55-V86 HydrophobicContact CG1-CG1 4.48Å; I55-V86 HydrophobicContact CG2-CG1 4.03Å; I55-V86 HydrophobicContact CG2-CG2 3.92Å; P57-V86 HydrophobicContact CB-CG2 4.15Å; K82-V86 PolarHBondContact O-N 3.19Å; V83-V86 PolarHBondContact O-N 3.43Å; D84-V86 VanDerWaalsContact C-N 3.33Å; D84-V86 PolarHBondContact O-N 2.98Å; V86-N88 PolarHBondContact O-N 2.97Å; V86-T89 WeakPolarHBondContact O-CB 3.48Å; V86-T89 PolarHBondContact O-N 3.4Å; V86-T89 PolarHBondContact O-OG1 3.22Å; V86-L90 WeakPolarHBondContact O-CG 3.39Å; V86-V99 HydrophobicContact CB-CG1 4.15Å; V86-V99 HydrophobicContact CG1-CG1 3.93Å
87V96.5Very high95Very high17 Ų1750.8 Ų50.810%0.10327%0.267CS..Hα-helixtrans-58.3-37.6-179.5163.60000112.3V83 D84 T89 L90 V99 K143 I145V83-V87 HydrophobicContact CG1-CG2 4.14Å; V83-V87 WeakPolarHBondContact O-CB 3.45Å; V83-V87 VanDerWaalsContact O-CG2 3.24Å; V83-V87 WeakPolarHBondContact O-CG2 3.3Å; V83-V87 PolarHBondContact O-N 3.3Å; D84-V87 PolarHBondContact O-N 3.04Å; V87-T89 PolarHBondContact O-N 2.96Å; V87-T89 VanDerWaalsContact O-N 3.16Å; V87-L90 PolarHBondContact O-N 3.12Å; V87-V99 HydrophobicContact CG2-CB 3.84Å; V87-V99 HydrophobicContact CG2-CG1 4.16Å; V87-V99 HydrophobicContact CG2-CG2 3.54Å; V87-K143 HydrophobicContact CG1-CD 4.2Å; V87-K143 HydrophobicContact CG2-CD 4.07Å; V87-I145 HydrophobicContact CB-CD1 4.22Å; V87-I145 HydrophobicContact CG1-CD1 3.49Å; V87-I145 VanDerWaalsContact CG1-CD1 3.49Å; V87-I145 HydrophobicContact CG2-CD1 3.78Å
88N95.4Very high95Very high135 Ų13549.7 Ų49.772%0.72226%0.258SS*.THydrogen-bonded Turntrans-66.2-13.1177.2-67.1-21.3000113.9D84 V86D84-N88 PolarHBondContact O-N 2.83Å; D84-N88 PolarHBondContact O-ND2 3.47Å; V86-N88 PolarHBondContact O-N 2.97Å
89T95.5Very high95.2Very high98 Ų9849.6 Ų49.660%0.60126%0.258SS*.THydrogen-bonded Turntrans-97.1-8.7178.170.20000113.4A85 V86 V87A85-T89 WeakPolarHBondContact O-CG2 3.45Å; V86-T89 WeakPolarHBondContact O-CB 3.48Å; V86-T89 PolarHBondContact O-N 3.4Å; V86-T89 PolarHBondContact O-OG1 3.22Å; V87-T89 PolarHBondContact O-N 2.96Å; V87-T89 VanDerWaalsContact O-N 3.16Å
90L95Very high95.3Very high28 Ų2849.6 Ų49.615%0.14726%0.258CS..SBendtrans-88.9143-173.8-57.6177.9000111.6I33 I55 V86 V87 I92 Y97 V99I33-L90 HydrophobicContact CD1-CD1 3.65Å; I33-L90 HydrophobicContact CD1-CD2 3.59Å; I33-L90 HydrophobicContact CD1-CG 4.29Å; I55-L90 HydrophobicContact CD1-CD2 3.87Å; V86-L90 WeakPolarHBondContact O-CG 3.39Å; V87-L90 PolarHBondContact O-N 3.12Å; L90-I92 HydrophobicContact CB-CG2 4.2Å; L90-I92 PolarHBondContact O-N 3.31Å; L90-I92 VanDerWaalsContact O-N 3.14Å; L90-Y97 HydrophobicContact CB-CE2 4.35Å; L90-Y97 HydrophobicContact CD1-CD1 4Å; L90-Y97 HydrophobicContact CD1-CD2 4.28Å; L90-Y97 HydrophobicContact CD1-CE1 4.32Å; L90-Y97 HydrophobicContact CD1-CG 3.96Å; L90-Y97 HydrophobicContact CD2-CE1 4.48Å; L90-V99 HydrophobicContact CD1-CG2 3.71Å
91D92.3Very high95.3Very high83 Ų8346.2 Ų46.244%0.44424%0.243SC..  trans-77.496.4161.1-174.1-8.7000109.2S93 Y97D91-S93 VanDerWaalsContact C-N 3.27Å; D91-S93 PolarHBondContact O-N 3.2Å; D91-S93 WeakPolarHBondContact OD1-CB 3.28Å; D91-S93 PolarHBondContact OD1-N 2.88Å; D91-S93 PolarHBondContact OD1-OG 3.38Å; D91-Y97 WeakPolarHBondContact O-CE2 3.42Å; D91-Y97 PolarHBondContact O-OH 2.77Å
92I91.6Very high95.3Very high62 Ų6243.9 Ų43.932%0.31823%0.231SC..THydrogen-bonded Turntrans-77.1-11.7-17864.8171.6000113.4L90 I145 G148L90-I92 HydrophobicContact CB-CG2 4.2Å; L90-I92 PolarHBondContact O-N 3.31Å; L90-I92 VanDerWaalsContact O-N 3.14Å; I92-I145 HydrophobicContact CB-CG2 3.82Å; I92-I145 HydrophobicContact CG2-CD1 4.06Å; I92-I145 HydrophobicContact CG2-CG2 3.87Å; I92-G148 WeakPolarHBondContact O-CA 3.17Å; I92-G148 PolarHBondContact O-N 3.13Å
93S89.9Confident95.2Very high86 Ų8644 Ų4460%0.60123%0.232SC*.THydrogen-bonded Turntrans-79.1-32.3-171.170.50000113.3D91D91-S93 VanDerWaalsContact C-N 3.27Å; D91-S93 PolarHBondContact O-N 3.2Å; D91-S93 WeakPolarHBondContact OD1-CB 3.28Å; D91-S93 PolarHBondContact OD1-N 2.88Å; D91-S93 PolarHBondContact OD1-OG 3.38Å
94E85.6Confident95.1Very high156 Ų15645 Ų4573%0.72924%0.238SC*.THydrogen-bonded Turntrans-99.3-18.8-173.3-60.6-167.3162.400114
95R91.9Very high94.9Very high137 Ų13744.8 Ų44.852%0.51724%0.236SC..  trans-138155.1-170.3-58.1-166.5-176.6-1670113.2D31 Y97D31-R95 WeakPolarHBondContact OD2-CD 3.48Å; D31-R95 IonicContact OD2-CZ 2.72Å; D31-R95 IonicContact OD2-NE 3.91Å; D31-R95 IonicContact OD2-NH1 3.84Å; D31-R95 PolarHBondContact OD2-NH1 2.81Å; R95-Y97 HydrophobicContact CB-CD2 4.45Å; R95-Y97 HydrophobicContact CB-CE1 4.19Å; R95-Y97 HydrophobicContact CB-CE2 3.66Å; R95-Y97 WeakPolarHBondContact O-CD2 3.5Å; R95-Y97 WeakPolarHBondContact O-CE2 3.3Å
96N94.1Very high94.9Very high44 Ų4444 Ų4424%0.23523%0.229CC..  trans-93.7138171.9-58.4-35000108.9I30 D31 I145 V146 S147I30-N96 HydrophobicContact CG1-CB 4.16Å; I30-N96 HydrophobicContact CG2-CB 4.49Å; D31-N96 PolarHBondContact N-O 3.22Å; N96-I145 CarbonylContact C-O 3.48Å; N96-I145 VanDerWaalsContact CA-O 3.27Å; N96-I145 WeakPolarHBondContact CA-O 3.49Å; N96-V146 HydrophobicContact CB-CG2 4.43Å; N96-V146 VanDerWaalsContact OD1-CA 3.29Å; N96-V146 WeakPolarHBondContact OD1-CA 3.28Å; N96-V146 WeakPolarHBondContact OD1-CG1 3.47Å; N96-S147 PolarHBondContact OD1-N 2.93Å
97Y96.1Very high94.9Very high17 Ų1744.2 Ų44.27%0.06723%0.231CC..EExtended strand (participates in β ladder)trans-131.1148.7-179-55.8-85.8000111.9I30 D31 I33 L90 D91 R95 I145I30-Y97 VanDerWaalsContact CG2-C 3.43Å; D31-Y97 HydrophobicContact CB-CD1 3.54Å; D31-Y97 HydrophobicContact CB-CE1 3.81Å; D31-Y97 VanDerWaalsContact O-CA 3.27Å; D31-Y97 WeakPolarHBondContact O-CA 3.44Å; I33-Y97 HydrophobicContact CD1-CD1 3.52Å; I33-Y97 HydrophobicContact CD1-CE1 3.93Å; I33-Y97 HydrophobicContact CD1-CG 4.46Å; I33-Y97 HydrophobicContact CG1-CD1 4.3Å; L90-Y97 HydrophobicContact CB-CE2 4.35Å; L90-Y97 HydrophobicContact CD1-CD1 4Å; L90-Y97 HydrophobicContact CD1-CD2 4.28Å; L90-Y97 HydrophobicContact CD1-CE1 4.32Å; L90-Y97 HydrophobicContact CD1-CG 3.96Å; L90-Y97 HydrophobicContact CD2-CE1 4.48Å; D91-Y97 WeakPolarHBondContact O-CE2 3.42Å; D91-Y97 PolarHBondContact O-OH 2.77Å; R95-Y97 HydrophobicContact CB-CD2 4.45Å; R95-Y97 HydrophobicContact CB-CE1 4.19Å; R95-Y97 HydrophobicContact CB-CE2 3.66Å; R95-Y97 WeakPolarHBondContact O-CD2 3.5Å; R95-Y97 WeakPolarHBondContact O-CE2 3.3Å; Y97-I145 PolarHBondContact N-O 2.92Å; Y97-I145 PolarHBondContact O-N 2.83Å
98V97.2Very high94.9Very high0 Ų044.6 Ų44.60%023%0.231CC..EExtended strand (participates in β ladder)trans-122115.5154.360.30000108.1I30 D31 I32 I33 I100 L142 K143 W144 L220I30-V98 HydrophobicContact CG2-CB 4.14Å; I30-V98 HydrophobicContact CG2-CG1 3.92Å; D31-V98 PolarHBondContact O-N 3.16Å; I32-V98 HydrophobicContact CB-CG1 4.08Å; I32-V98 HydrophobicContact CG1-CG1 3.71Å; I32-V98 HydrophobicContact CG2-CG1 4.04Å; I33-V98 PolarHBondContact N-O 3.41Å; V98-I100 HydrophobicContact CG2-CG1 4.37Å; V98-L142 HydrophobicContact CG2-CB 4.46Å; V98-L142 HydrophobicContact CG2-CD2 4.3Å; V98-K143 WeakPolarHBondContact CA-O 3.39Å; V98-W144 HydrophobicContact CB-CD2 4.1Å; V98-W144 HydrophobicContact CB-CE3 3.69Å; V98-W144 HydrophobicContact CB-CH2 4.4Å; V98-W144 HydrophobicContact CB-CZ3 3.87Å; V98-W144 HydrophobicContact CG1-CZ3 4.27Å; V98-W144 HydrophobicContact CG2-CD2 3.73Å; V98-W144 HydrophobicContact CG2-CE3 3.8Å; V98-W144 HydrophobicContact CG2-CG 4.35Å; V98-W144 HydrophobicContact CG2-CH2 4.09Å; V98-W144 HydrophobicContact CG2-CZ2 4.01Å; V98-W144 HydrophobicContact CG2-CZ3 4Å; V98-L220 HydrophobicContact CG1-CD2 4.44Å; V98-L220 HydrophobicContact CG2-CD2 4.17Å
99V98.3Very high94.8Very high0 Ų046.1 Ų46.10%023%0.234CC..EExtended strand (participates in β ladder)trans-100.7119.9179.6-172.50000108.6I33 A35 V83 V86 V87 L90 L142 K143I33-V99 HydrophobicContact CB-CG1 4.46Å; I33-V99 HydrophobicContact CB-CG2 4.26Å; I33-V99 HydrophobicContact CD1-CG2 4.5Å; I33-V99 HydrophobicContact CG2-CG1 4.39Å; I33-V99 CarbonylContact O-C 3.57Å; I33-V99 WeakPolarHBondContact O-CA 3.4Å; A35-V99 HydrophobicContact CB-CG1 3.9Å; V83-V99 HydrophobicContact CB-CG1 4.47Å; V83-V99 HydrophobicContact CG1-CB 4.04Å; V83-V99 HydrophobicContact CG1-CG1 3.97Å; V83-V99 HydrophobicContact CG2-CG1 4.47Å; V86-V99 HydrophobicContact CB-CG1 4.15Å; V86-V99 HydrophobicContact CG1-CG1 3.93Å; V87-V99 HydrophobicContact CG2-CB 3.84Å; V87-V99 HydrophobicContact CG2-CG1 4.16Å; V87-V99 HydrophobicContact CG2-CG2 3.54Å; L90-V99 HydrophobicContact CD1-CG2 3.71Å; V99-L142 CarbonylContact O-C 3.56Å; V99-L142 VanDerWaalsContact O-CA 3.31Å; V99-L142 WeakPolarHBondContact O-CA 3.34Å; V99-K143 PolarHBondContact N-O 2.84Å; V99-K143 PolarHBondContact O-N 3.03Å
100I98.6Very high94.4Very high0 Ų044.6 Ų44.60%024%0.238CC..EExtended strand (participates in β ladder)trans-108.9125.1-177-53.2169.5000108I32 I33 L34 A35 L50 V98 C141 L142 L216 L220I32-I100 HydrophobicContact CG2-CD1 3.86Å; I33-I100 PolarHBondContact O-N 3.46Å; L34-I100 CarbonylContact C-O 3.58Å; L34-I100 WeakPolarHBondContact CA-O 3.19Å; A35-I100 PolarHBondContact N-O 2.89Å; L50-I100 HydrophobicContact CD2-CD1 4.49Å; V98-I100 HydrophobicContact CG2-CG1 4.37Å; I100-C141 WeakPolarHBondContact CA-O 3.32Å; I100-L142 HydrophobicContact CG1-CD2 4.28Å; I100-L142 HydrophobicContact CG1-CG 4.23Å; I100-L216 HydrophobicContact CD1-CD1 4.44Å; I100-L216 HydrophobicContact CG2-CD1 3.86Å; I100-L216 HydrophobicContact CG2-CD2 4.29Å; I100-L220 HydrophobicContact CD1-CD1 4.27Å; I100-L220 HydrophobicContact CD1-CD2 4.03Å
101G98.1Very high94.2Very high0 Ų046.6 Ų46.60%025%0.253CS..EExtended strand (participates in β ladder)trans-129.4152.2172.400000110.5V140 C141G101-V140 WeakPolarHBondContact O-CA 3.45Å; G101-C141 PolarHBondContact N-O 2.87Å; G101-C141 PolarHBondContact O-N 3.11Å
102A97.7Very high94.2Very high0 Ų045.1 Ų45.10%025%0.245CC..EExtended strand (participates in β ladder)trans-147.4148.4176.900000111R41 T138 G139 V140 L211R41-A102 PolarHBondContact NH1-O 2.97Å; A102-T138 HydrophobicContact CB-CG2 4.02Å; A102-G139 CarbonylContact C-O 3.57Å; A102-G139 WeakPolarHBondContact CA-O 3.43Å; A102-V140 HydrophobicContact CB-CG2 4.13Å; A102-L211 HydrophobicContact CB-CD1 3.82Å
103D95.3Very high94.3Very high12 Ų1243.7 Ų43.76%0.06424%0.237CC..EExtended strand (participates in β ladder)trans-133.5144172.4-163.963.2000110.9I75 I78 A79 K82 T138 G139I75-D103 HydrophobicContact CG2-CB 4.03Å; I75-D103 WeakPolarHBondContact CG2-O 3.33Å; I78-D103 HydrophobicContact CB-CB 4.21Å; I78-D103 HydrophobicContact CG2-CB 3.79Å; A79-D103 HydrophobicContact CB-CB 4.44Å; K82-D103 IonicContact NZ-OD1 3.79Å; K82-D103 PolarHBondContact NZ-OD1 2.89Å; D103-T138 CarbonylContact O-C 3.58Å; D103-T138 WeakPolarHBondContact O-CA 3.39Å; D103-T138 WeakPolarHBondContact O-CG2 3.16Å; D103-G139 PolarHBondContact N-O 2.82Å; D103-G139 PolarHBondContact O-N 3.16Å
104T95.1Very high94.3Very high21 Ų2141.1 Ų41.113%0.12922%0.224CC..EExtended strand (participates in β ladder)trans-132.8128.6-171.7-54.20000109.5R41 V136 I137 T138 A185 G210R41-T104 PolarHBondContact NH2-OG1 3.45Å; T104-V136 HydrophobicContact CG2-CG1 3.72Å; T104-I137 WeakPolarHBondContact CA-O 3.44Å; T104-T138 WeakPolarHBondContact CG2-OG1 3.42Å; T104-T138 WeakPolarHBondContact OG1-CG2 3.46Å; T104-T138 PolarHBondContact OG1-OG1 3.34Å; T104-A185 VanDerWaalsContact O-CB 3.31Å; T104-A185 WeakPolarHBondContact O-CB 3.27Å; T104-G210 VanDerWaalsContact OG1-CA 3.25Å; T104-G210 WeakPolarHBondContact OG1-CA 3.43Å; T104-G210 PolarHBondContact OG1-O 2.98Å
105M94.6Very high94.6Very high24 Ų2440.5 Ų40.512%0.11822%0.218CC..EExtended strand (participates in β ladder)trans-131.1153.3176-62.4-175.8172.500111I75 I78 I112 I137I75-M105 HydrophobicContact CD1-CB 3.79Å; I75-M105 HydrophobicContact CD1-CG 4.1Å; I75-M105 HydrophobicContact CD1-SD 4.12Å; I75-M105 HydrophobicContact CG1-CB 4.32Å; I75-M105 HydrophobicContact CG1-CG 4.06Å; I75-M105 HydrophobicContact CG1-SD 3.68Å; I78-M105 HydrophobicContact CD1-CE 3.37Å; M105-I112 HydrophobicContact CB-CG2 3.97Å; M105-I112 HydrophobicContact CG-CG2 4.11Å; M105-I112 HydrophobicContact SD-CG2 3.32Å; M105-I112 WeakPolarHBondContact SD-CG2 3.45Å; M105-I137 PolarHBondContact N-O 3.38Å; M105-I137 PolarHBondContact O-N 2.9Å
106V97.4Very high94.8Very high2 Ų234.5 Ų34.51%0.01220%0.197CC..EExtended strand (participates in β ladder)trans-101.9133.2171.9174.90000108.8F113 L129 H134 Q135 V136 A185 Y188V106-F113 HydrophobicContact CB-CB 4.24Å; V106-F113 PolarHBondContact N-O 2.78Å; V106-F113 PolarHBondContact O-N 3.06Å; V106-L129 HydrophobicContact CG1-CD1 3.98Å; V106-L129 HydrophobicContact CG1-CD2 4.29Å; V106-H134 HydrophobicContact CG1-CB 4.29Å; V106-Q135 CarbonylContact C-O 3.3Å; V106-Q135 WeakPolarHBondContact CA-O 3.36Å; V106-V136 HydrophobicContact CG2-CG2 4.2Å; V106-A185 HydrophobicContact CG2-CB 4.26Å; V106-A185 WeakPolarHBondContact CG2-O 3.42Å; V106-Y188 HydrophobicContact CG2-CE1 4.22Å
107C96.5Very high94.8Very high6 Ų637.3 Ų37.34%0.04122%0.221CC..EExtended strand (participates in β ladder)trans-126.2132.9-176.9-55.30000110.6I71 C111 H134 Q135 I137I71-C107 VanDerWaalsContact CG2-SG 3.6Å; C107-C111 VanDerWaalsContact CA-O 3.23Å; C107-C111 WeakPolarHBondContact CA-O 3.07Å; C107-H134 WeakPolarHBondContact O-CB 3.49Å; C107-Q135 HydrophobicContact CB-CB 4.37Å; C107-Q135 PolarHBondContact N-O 2.85Å; C107-Q135 PolarHBondContact O-N 3.3Å; C107-I137 HydrophobicContact CB-CD1 4.32Å
108F97.3Very high94.9Very high26 Ų2639 Ų3911%0.11423%0.234CC..EExtended strand (participates in β ladder)trans-148.1131.5176.2177.9-112.6000109.4G110 C111 F113 C128 L129 N132 V133 H134F108-G110 PolarHBondContact O-N 3.43Å; F108-G110 VanDerWaalsContact O-N 3.11Å; F108-C111 PolarHBondContact N-O 2.93Å; F108-C111 WeakPolarHBondContact O-CB 3.28Å; F108-C111 PolarHBondContact O-N 3.31Å; F108-F113 HydrophobicContact CB-CE2 3.92Å; F108-C128 VanDerWaalsContact CE1-O 3.32Å; F108-C128 WeakPolarHBondContact CE1-O 3.35Å; F108-L129 HydrophobicContact CB-CD2 3.63Å; F108-L129 HydrophobicContact CD1-CD2 4.24Å; F108-L129 HydrophobicContact CG-CD2 4Å; F108-N132 HydrophobicContact CD2-CB 4.36Å; F108-N132 HydrophobicContact CE1-CB 4.41Å; F108-N132 HydrophobicContact CE2-CB 3.53Å; F108-N132 HydrophobicContact CZ-CB 3.56Å; F108-N132 VanDerWaalsContact CZ-CG 3.43Å; F108-N132 WeakPolarHBondContact CZ-ND2 3.13Å; F108-V133 WeakPolarHBondContact CD2-O 3.48Å; F108-H134 HydrophobicContact CB-CB 3.91Å; F108-H134 HydrophobicContact CD2-CB 4.17Å; F108-H134 HydrophobicContact CG-CB 4.37Å
109E92.5Very high94.9Very high166 Ų16642.4 Ų42.478%0.77625%0.25SS*.THydrogen-bonded Turntrans49.336.1-177.8-62.8-171.8160.400115.2C111E109-C111 PolarHBondContact O-N 3.15Å
110G87.5Confident94.9Very high66 Ų6647 Ų4768%0.6828%0.278SS*.THydrogen-bonded Turntrans80.6-5-178.800000114.6F108F108-G110 PolarHBondContact O-N 3.43Å; F108-G110 VanDerWaalsContact O-N 3.11Å
111C91Very high94.9Very high70 Ų7049.3 Ų49.347%0.47329%0.29SS..EExtended strand (participates in β ladder)trans-85.6144.3171.6-62.50000111.2C107 F108 E109 F113C107-C111 VanDerWaalsContact CA-O 3.23Å; C107-C111 WeakPolarHBondContact CA-O 3.07Å; F108-C111 PolarHBondContact N-O 2.93Å; F108-C111 WeakPolarHBondContact O-CB 3.28Å; F108-C111 PolarHBondContact O-N 3.31Å; E109-C111 PolarHBondContact O-N 3.15Å; C111-F113 HydrophobicContact CB-CE1 4.44Å; C111-F113 HydrophobicContact CB-CE2 3.74Å; C111-F113 HydrophobicContact CB-CZ 3.67Å
112I92Very high94.9Very high52 Ų5249.3 Ų49.327%0.26729%0.29SS..EExtended strand (participates in β ladder)trans-106.1129175.6-60.9176.2000108.8I71 M105I71-I112 HydrophobicContact CB-CD1 4.45Å; I71-I112 HydrophobicContact CD1-CD1 4.26Å; I71-I112 HydrophobicContact CD1-CG1 3.91Å; I71-I112 HydrophobicContact CG1-CD1 4.03Å; I71-I112 HydrophobicContact CG1-CG1 4.25Å; I71-I112 HydrophobicContact CG2-CD1 3.78Å; I71-I112 HydrophobicContact CG2-CG1 4.03Å; M105-I112 HydrophobicContact CB-CG2 3.97Å; M105-I112 HydrophobicContact CG-CG2 4.11Å; M105-I112 HydrophobicContact SD-CG2 3.32Å; M105-I112 WeakPolarHBondContact SD-CG2 3.45Å
113F93.3Very high94.9Very high33 Ų3350.8 Ų50.815%0.14530%0.3CS..EExtended strand (participates in β ladder)trans-114.8102.8178.6-57.1-75.9000109.7V106 F108 C111 I125 C128 L129 G186V106-F113 HydrophobicContact CB-CB 4.24Å; V106-F113 PolarHBondContact N-O 2.78Å; V106-F113 PolarHBondContact O-N 3.06Å; F108-F113 HydrophobicContact CB-CE2 3.92Å; C111-F113 HydrophobicContact CB-CE1 4.44Å; C111-F113 HydrophobicContact CB-CE2 3.74Å; C111-F113 HydrophobicContact CB-CZ 3.67Å; F113-I125 HydrophobicContact CB-CG2 4.17Å; F113-I125 HydrophobicContact CD1-CB 4.38Å; F113-I125 HydrophobicContact CD1-CD1 4.32Å; F113-I125 HydrophobicContact CD1-CG1 3.75Å; F113-I125 HydrophobicContact CD1-CG2 4.03Å; F113-I125 HydrophobicContact CE1-CG1 4.32Å; F113-I125 HydrophobicContact CG-CG2 4.14Å; F113-C128 HydrophobicContact CZ-CB 4.44Å; F113-L129 HydrophobicContact CD2-CD2 4.43Å; F113-L129 HydrophobicContact CE2-CD2 4.4Å; F113-G186 PolarHBondContact O-N 3.04Å
114G89.9Confident95.1Very high32 Ų3254.5 Ų54.533%0.3332%0.319SS..  trans-77.1-151.416900000111.8A185 G186G114-A185 WeakPolarHBondContact O-CA 2.98Å; G114-G186 PolarHBondContact O-N 3.42Å
115K91.8Very high95.2Very high142 Ų14253.8 Ų53.862%0.61732%0.315SS*.SBendtrans-71.2140.1170.1-62.3173.9-173.8165.70109.4
116P95.6Very high95.4Very high12 Ų1252.7 Ų52.78%0.07831%0.309CS..  trans-64.4138.6175.128.1-34.4000110.5D121 A122 I125 M182 K184 A187P116-D121 WeakPolarHBondContact CA-OD2 3.4Å; P116-D121 HydrophobicContact CB-CB 4.34Å; P116-A122 HydrophobicContact CB-CB 3.7Å; P116-A122 HydrophobicContact CG-CB 3.95Å; P116-I125 HydrophobicContact CB-CD1 4.11Å; P116-M182 HydrophobicContact CG-CE 4.14Å; P116-M182 HydrophobicContact CG-SD 4.24Å; P116-K184 WeakPolarHBondContact CD-O 3.25Å; P116-A187 HydrophobicContact CB-CB 4.37Å; P116-A187 HydrophobicContact CG-CB 3.99Å
117S95.4Very high95.4Very high103 Ų10355.5 Ų55.572%0.7233%0.329SS*.SBendtrans-80.9-20.6177.558.80000113.3D121S117-D121 PolarHBondContact N-OD2 3.49Å; S117-D121 PolarHBondContact OG-OD2 3.47Å
118S97.4Very high95.5Very high51 Ų5158.1 Ų58.136%0.35735%0.347SS..SBendtrans-157170.6-178.568.30000111.5V120 D121 A122S118-V120 VanDerWaalsContact C-N 3.31Å; S118-V120 PolarHBondContact O-N 3.34Å; S118-D121 WeakPolarHBondContact O-CB 3.32Å; S118-D121 PolarHBondContact O-N 2.92Å; S118-D121 WeakPolarHBondContact OG-CB 3.45Å; S118-D121 PolarHBondContact OG-N 2.78Å; S118-D121 VanDerWaalsContact OG-N 3.15Å; S118-A122 PolarHBondContact O-N 3.3Å
119H98Very high95.6Very high73 Ų7356.9 Ų56.934%0.33834%0.341SS..Hα-helixtrans-55.5-45.8171.2-174.5-70.8000112.2D121 A122 V123 E173 V176H119-D121 VanDerWaalsContact C-N 3.3Å; H119-D121 PolarHBondContact O-N 3.26Å; H119-A122 PolarHBondContact O-N 3.22Å; H119-V123 WeakPolarHBondContact O-CG2 3.37Å; H119-V123 PolarHBondContact O-N 3.27Å; H119-E173 IonicContact CE1-OE1 2.68Å; H119-E173 PolarHBondContact CE1-OE1 2.93Å; H119-E173 IonicContact CE1-OE2 3.15Å; H119-E173 PolarHBondContact CE1-OE2 2.98Å; H119-E173 IonicContact NE2-OE1 2.69Å; H119-E173 PolarHBondContact NE2-OE1 3.41Å; H119-V176 HydrophobicContact CB-CG1 4.48Å; H119-V176 WeakPolarHBondContact CD2-CG1 3.38Å; H119-V176 WeakPolarHBondContact NE2-CG1 3.37Å
120V98.2Very high95.9Very high95 Ų9549.4 Ų49.458%0.57631%0.307SS*.Hα-helixtrans-62.5-41.2179.3175.40000110.8S118 V123 N124S118-V120 VanDerWaalsContact C-N 3.31Å; S118-V120 PolarHBondContact O-N 3.34Å; V120-V123 PolarHBondContact O-N 3.46Å; V120-N124 VanDerWaalsContact O-CG 3.23Å; V120-N124 PolarHBondContact O-N 3.1Å; V120-N124 PolarHBondContact O-ND2 3.01Å
121D98.1Very high96.4Very high49 Ų4946.9 Ų46.926%0.26228%0.282SS..Hα-helixtrans-62.6-44.8176.7-167.825.4000111.3P116 S117 S118 H119 V123 N124 I125P116-D121 WeakPolarHBondContact CA-OD2 3.4Å; P116-D121 HydrophobicContact CB-CB 4.34Å; S117-D121 PolarHBondContact N-OD2 3.49Å; S117-D121 PolarHBondContact OG-OD2 3.47Å; S118-D121 WeakPolarHBondContact O-CB 3.32Å; S118-D121 PolarHBondContact O-N 2.92Å; S118-D121 WeakPolarHBondContact OG-CB 3.45Å; S118-D121 PolarHBondContact OG-N 2.78Å; S118-D121 VanDerWaalsContact OG-N 3.15Å; H119-D121 VanDerWaalsContact C-N 3.3Å; H119-D121 PolarHBondContact O-N 3.26Å; D121-V123 VanDerWaalsContact C-N 3.35Å; D121-V123 PolarHBondContact O-N 3.44Å; D121-N124 WeakPolarHBondContact O-CB 3.31Å; D121-N124 PolarHBondContact O-N 3.26Å; D121-N124 VanDerWaalsContact O-N 3.15Å; D121-I125 VanDerWaalsContact O-CG1 3.26Å; D121-I125 WeakPolarHBondContact O-CG1 3.38Å; D121-I125 PolarHBondContact O-N 3.31Å
122A98.4Very high96.7Very high0 Ų046.7 Ų46.70%028%0.276CS..Hα-helixtrans-60-42.2175.300000113P116 S118 H119 N124 I125 L126 V176 M182 A187P116-A122 HydrophobicContact CB-CB 3.7Å; P116-A122 HydrophobicContact CG-CB 3.95Å; S118-A122 PolarHBondContact O-N 3.3Å; H119-A122 PolarHBondContact O-N 3.22Å; A122-N124 VanDerWaalsContact C-N 3.34Å; A122-I125 PolarHBondContact O-N 3.48Å; A122-L126 WeakPolarHBondContact O-CB 3.33Å; A122-L126 WeakPolarHBondContact O-CG 3.36Å; A122-L126 PolarHBondContact O-N 2.89Å; A122-V176 HydrophobicContact CB-CG1 3.79Å; A122-V176 HydrophobicContact CB-CG2 4.11Å; A122-M182 HydrophobicContact CB-CE 3.38Å; A122-A187 HydrophobicContact CB-CB 4.06Å
123V98.5Very high97.1Very high32 Ų3247.1 Ų47.119%0.19428%0.281CS..Hα-helixtrans-61-43.9174.7170.90000110.9H119 V120 D121 S127 I172 V176H119-V123 WeakPolarHBondContact O-CG2 3.37Å; H119-V123 PolarHBondContact O-N 3.27Å; V120-V123 PolarHBondContact O-N 3.46Å; D121-V123 VanDerWaalsContact C-N 3.35Å; D121-V123 PolarHBondContact O-N 3.44Å; V123-S127 WeakPolarHBondContact O-CB 3.17Å; V123-S127 PolarHBondContact O-N 2.97Å; V123-S127 PolarHBondContact O-OG 3.31Å; V123-I172 HydrophobicContact CB-CG2 4.19Å; V123-I172 HydrophobicContact CG1-CG2 3.97Å; V123-I172 HydrophobicContact CG2-CG2 4.16Å; V123-V176 HydrophobicContact CG2-CB 4.32Å; V123-V176 HydrophobicContact CG2-CG1 4.38Å; V123-V176 HydrophobicContact CG2-CG2 3.85Å
124N98.1Very high97.3Very high89 Ų8945.6 Ų45.648%0.47627%0.274SS..Hα-helixtrans-63.9-47.1178.6-69.5-22.5000111.8V120 D121 A122 L126 S127 C128V120-N124 VanDerWaalsContact O-CG 3.23Å; V120-N124 PolarHBondContact O-N 3.1Å; V120-N124 PolarHBondContact O-ND2 3.01Å; D121-N124 WeakPolarHBondContact O-CB 3.31Å; D121-N124 PolarHBondContact O-N 3.26Å; D121-N124 VanDerWaalsContact O-N 3.15Å; A122-N124 VanDerWaalsContact C-N 3.34Å; N124-L126 PolarHBondContact O-N 3.19Å; N124-S127 PolarHBondContact O-N 2.76Å; N124-C128 PolarHBondContact O-N 3.38Å; N124-C128 PolarHBondContact O-SG 2.84Å; N124-C128 VanDerWaalsContact O-SG 3.33Å
125I98.2Very high97.7Very high7 Ų748 Ų484%0.03628%0.277CS..Hα-helixtrans-57.2-51.7178-65.9172000110.1F113 P116 D121 A122 S127 C128 L129 G186 A187F113-I125 HydrophobicContact CB-CG2 4.17Å; F113-I125 HydrophobicContact CD1-CB 4.38Å; F113-I125 HydrophobicContact CD1-CD1 4.32Å; F113-I125 HydrophobicContact CD1-CG1 3.75Å; F113-I125 HydrophobicContact CD1-CG2 4.03Å; F113-I125 HydrophobicContact CE1-CG1 4.32Å; F113-I125 HydrophobicContact CG-CG2 4.14Å; P116-I125 HydrophobicContact CB-CD1 4.11Å; D121-I125 VanDerWaalsContact O-CG1 3.26Å; D121-I125 WeakPolarHBondContact O-CG1 3.38Å; D121-I125 PolarHBondContact O-N 3.31Å; A122-I125 PolarHBondContact O-N 3.48Å; I125-S127 VanDerWaalsContact C-N 3.28Å; I125-S127 PolarHBondContact O-N 2.85Å; I125-C128 WeakPolarHBondContact O-CB 2.97Å; I125-C128 PolarHBondContact O-N 2.89Å; I125-C128 VanDerWaalsContact O-N 3.14Å; I125-L129 HydrophobicContact CG2-CD1 4.02Å; I125-L129 HydrophobicContact CG2-CG 4.44Å; I125-L129 WeakPolarHBondContact O-CG 3.36Å; I125-L129 PolarHBondContact O-N 2.93Å; I125-G186 VanDerWaalsContact CG2-O 3.27Å; I125-G186 WeakPolarHBondContact CG2-O 3.43Å; I125-A187 HydrophobicContact CB-CB 4.12Å; I125-A187 HydrophobicContact CD1-CB 4.28Å; I125-A187 HydrophobicContact CG2-CB 4Å
126L98.6Very high98Very high0 Ų041.4 Ų41.40%025%0.248CC..Hα-helixtrans-63.2-35.2179.8-70.8169.6000112.5A122 N124 C128 L129 S130 M164 I172 Y175 V176 A187A122-L126 WeakPolarHBondContact O-CB 3.33Å; A122-L126 WeakPolarHBondContact O-CG 3.36Å; A122-L126 PolarHBondContact O-N 2.89Å; N124-L126 PolarHBondContact O-N 3.19Å; L126-C128 VanDerWaalsContact C-N 3.34Å; L126-L129 PolarHBondContact O-N 2.73Å; L126-S130 PolarHBondContact O-N 3.46Å; L126-M164 HydrophobicContact CD2-CE 4.11Å; L126-M164 HydrophobicContact CD2-SD 4.46Å; L126-I172 HydrophobicContact CB-CD1 4.4Å; L126-I172 HydrophobicContact CB-CG1 4.31Å; L126-I172 HydrophobicContact CB-CG2 3.88Å; L126-I172 HydrophobicContact CD1-CG2 4.02Å; L126-Y175 HydrophobicContact CD1-CD1 3.74Å; L126-Y175 HydrophobicContact CD1-CE1 4.33Å; L126-Y175 HydrophobicContact CD2-CD1 4.47Å; L126-Y175 HydrophobicContact CD2-CE1 4.47Å; L126-V176 HydrophobicContact CD1-CG2 3.61Å; L126-A187 HydrophobicContact CG-CB 4.3Å
127S98.2Very high98.1Very high62 Ų6241 Ų4143%0.43425%0.245SC..Hα-helixtrans-65.4-37.5175.5-58.50000112V123 N124 I125 I172V123-S127 WeakPolarHBondContact O-CB 3.17Å; V123-S127 PolarHBondContact O-N 2.97Å; V123-S127 PolarHBondContact O-OG 3.31Å; N124-S127 PolarHBondContact O-N 2.76Å; I125-S127 VanDerWaalsContact C-N 3.28Å; I125-S127 PolarHBondContact O-N 2.85Å; S127-I172 WeakPolarHBondContact OG-CD1 3.41Å
128C98Very high98.2Very high60 Ų6036 Ų3641%0.40521%0.211SC..Hα-helixtrans-67.1-40.8174.5-67.20000112.3F108 F113 N124 I125 L126 N132F108-C128 VanDerWaalsContact CE1-O 3.32Å; F108-C128 WeakPolarHBondContact CE1-O 3.35Å; F113-C128 HydrophobicContact CZ-CB 4.44Å; N124-C128 PolarHBondContact O-N 3.38Å; N124-C128 PolarHBondContact O-SG 2.84Å; N124-C128 VanDerWaalsContact O-SG 3.33Å; I125-C128 WeakPolarHBondContact O-CB 2.97Å; I125-C128 PolarHBondContact O-N 2.89Å; I125-C128 VanDerWaalsContact O-N 3.14Å; L126-C128 VanDerWaalsContact C-N 3.34Å; C128-N132 PolarHBondContact O-ND2 3.2Å
129L98.5Very high98.2Very high0 Ų033.6 Ų33.60%019%0.194CC..Hα-helixtrans-79.1-22.3-177.5-59.1-177.9000113.3V106 F108 F113 I125 L126 G131 N132 H134 M164 Y188V106-L129 HydrophobicContact CG1-CD1 3.98Å; V106-L129 HydrophobicContact CG1-CD2 4.29Å; F108-L129 HydrophobicContact CB-CD2 3.63Å; F108-L129 HydrophobicContact CD1-CD2 4.24Å; F108-L129 HydrophobicContact CG-CD2 4Å; F113-L129 HydrophobicContact CD2-CD2 4.43Å; F113-L129 HydrophobicContact CE2-CD2 4.4Å; I125-L129 HydrophobicContact CG2-CD1 4.02Å; I125-L129 HydrophobicContact CG2-CG 4.44Å; I125-L129 WeakPolarHBondContact O-CG 3.36Å; I125-L129 PolarHBondContact O-N 2.93Å; L126-L129 PolarHBondContact O-N 2.73Å; L129-G131 PolarHBondContact O-N 3.49Å; L129-N132 WeakPolarHBondContact O-CB 3.23Å; L129-N132 PolarHBondContact O-N 3.05Å; L129-H134 HydrophobicContact CD2-CB 3.75Å; L129-M164 HydrophobicContact CB-CE 3.93Å; L129-M164 HydrophobicContact CB-SD 3.76Å; L129-M164 HydrophobicContact CD1-CE 4.22Å; L129-Y188 HydrophobicContact CD1-CE1 4.43Å
130S98.5Very high98.3Very high9 Ų930.1 Ų30.16%0.06318%0.178CC..THydrogen-bonded Turntrans-47.1129.8179.2-178.50000112.2L126 N132 E166 L167L126-S130 PolarHBondContact O-N 3.46Å; S130-N132 PolarHBondContact O-N 2.93Å; S130-N132 PolarHBondContact O-ND2 3.35Å; S130-E166 PolarHBondContact OG-OE1 3Å; S130-L167 PolarHBondContact OG-N 2.84Å
131G98.5Very high98.3Very high14 Ų1425.6 Ų25.614%0.14415%0.15CC..THydrogen-bonded Turntrans69.31.6176.100000115L129 K163 I165 E166L129-G131 PolarHBondContact O-N 3.49Å; G131-K163 PolarHBondContact O-NZ 3.19Å; G131-I165 PolarHBondContact N-O 3.06Å; G131-E166 WeakPolarHBondContact CA-OE2 3.38Å
132N98.6Very high98.3Very high65 Ų6523.3 Ų23.335%0.34814%0.138SC..SBendtrans-112.9168.9-171.7-71.7-54.3000113.5F108 C128 L129 S130 M164F108-N132 HydrophobicContact CD2-CB 4.36Å; F108-N132 HydrophobicContact CE1-CB 4.41Å; F108-N132 HydrophobicContact CE2-CB 3.53Å; F108-N132 HydrophobicContact CZ-CB 3.56Å; F108-N132 VanDerWaalsContact CZ-CG 3.43Å; F108-N132 WeakPolarHBondContact CZ-ND2 3.13Å; C128-N132 PolarHBondContact O-ND2 3.2Å; L129-N132 WeakPolarHBondContact O-CB 3.23Å; L129-N132 PolarHBondContact O-N 3.05Å; S130-N132 PolarHBondContact O-N 2.93Å; S130-N132 PolarHBondContact O-ND2 3.35Å; N132-M164 PolarHBondContact O-N 2.85Å
133V98.6Very high98.3Very high61 Ų6124.1 Ų24.137%0.3714%0.141SC..EExtended strand (participates in β ladder)trans-102.3121168179.50000108.2F108 N161 V162 K163F108-V133 WeakPolarHBondContact CD2-O 3.48Å; V133-N161 HydrophobicContact CG1-CB 3.87Å; V133-V162 WeakPolarHBondContact CA-O 3.19Å; V133-K163 HydrophobicContact CG2-CB 4.13Å; V133-K163 HydrophobicContact CG2-CD 3.62Å; V133-K163 HydrophobicContact CG2-CG 4.43Å
134H98.6Very high98.2Very high2 Ų222.6 Ų22.61%0.00913%0.132CC..EExtended strand (participates in β ladder)trans-116.6167.1174.657.1-90.6000111.2V106 C107 F108 L129 N161 V162 Y188V106-H134 HydrophobicContact CG1-CB 4.29Å; C107-H134 WeakPolarHBondContact O-CB 3.49Å; F108-H134 HydrophobicContact CB-CB 3.91Å; F108-H134 HydrophobicContact CD2-CB 4.17Å; F108-H134 HydrophobicContact CG-CB 4.37Å; L129-H134 HydrophobicContact CD2-CB 3.75Å; H134-N161 WeakPolarHBondContact O-CA 3.41Å; H134-V162 PolarHBondContact N-O 3.18Å; H134-V162 PolarHBondContact ND1-O 3.36Å; H134-V162 PolarHBondContact O-N 3.08Å; H134-Y188 AromaticContact NE2-CE1 3.5Å; H134-Y188 WeakPolarHBondContact NE2-CE1 3.46Å; H134-Y188 AromaticContact NE2-CZ 3.45Å; H134-Y188 PolarHBondContact NE2-OH 2.93Å
135Q98.4Very high98.1Very high83 Ų8318.5 Ų18.539%0.38811%0.11SC..EExtended strand (participates in β ladder)trans-104130.7179.6-65.5-173.3-35.700110.3V106 C107 I137 V159 T160 N161V106-Q135 CarbonylContact C-O 3.3Å; V106-Q135 WeakPolarHBondContact CA-O 3.36Å; C107-Q135 HydrophobicContact CB-CB 4.37Å; C107-Q135 PolarHBondContact N-O 2.85Å; C107-Q135 PolarHBondContact O-N 3.3Å; Q135-I137 HydrophobicContact CB-CD1 4.47Å; Q135-I137 HydrophobicContact CB-CG1 4.21Å; Q135-V159 HydrophobicContact CB-CG1 4.14Å; Q135-V159 HydrophobicContact CG-CG1 4.17Å; Q135-T160 WeakPolarHBondContact CA-O 3.48Å; Q135-N161 WeakPolarHBondContact CG-OD1 3.45Å
136V98.3Very high97.9Very high2 Ų218.5 Ų18.51%0.01211%0.111CC..EExtended strand (participates in β ladder)trans-101.3120.5164.9-171.80000107.9T104 V106 T160 V162 Y188 N207 V208T104-V136 HydrophobicContact CG2-CG1 3.72Å; V106-V136 HydrophobicContact CG2-CG2 4.2Å; V136-T160 PolarHBondContact N-O 3.07Å; V136-T160 PolarHBondContact O-N 3.12Å; V136-V162 HydrophobicContact CG2-CB 4.46Å; V136-V162 HydrophobicContact CG2-CG2 3.72Å; V136-Y188 VanDerWaalsContact CG2-OH 3.26Å; V136-Y188 WeakPolarHBondContact CG2-OH 3.37Å; V136-N207 PolarHBondContact O-ND2 3.34Å; V136-V208 HydrophobicContact CB-CG2 4.32Å; V136-V208 HydrophobicContact CG2-CG1 4.29Å; V136-V208 HydrophobicContact CG2-CG2 4.36Å
137I97.6Very high97.5Very high3 Ų323 Ų232%0.01514%0.142CC..EExtended strand (participates in β ladder)trans-119.1122-175.4-50.4179.3000108I71 P72 I75 T104 M105 C107 Q135 H157 E158 V159I71-I137 HydrophobicContact CG2-CD1 4.22Å; P72-I137 HydrophobicContact CB-CG2 4.49Å; P72-I137 HydrophobicContact CG-CD1 4.4Å; I75-I137 HydrophobicContact CD1-CB 3.66Å; I75-I137 HydrophobicContact CD1-CG2 3.64Å; T104-I137 WeakPolarHBondContact CA-O 3.44Å; M105-I137 PolarHBondContact N-O 3.38Å; M105-I137 PolarHBondContact O-N 2.9Å; C107-I137 HydrophobicContact CB-CD1 4.32Å; Q135-I137 HydrophobicContact CB-CD1 4.47Å; Q135-I137 HydrophobicContact CB-CG1 4.21Å; I137-H157 HydrophobicContact CG2-CB 4.41Å; I137-E158 WeakPolarHBondContact CA-O 3.18Å; I137-V159 HydrophobicContact CD1-CG2 4.46Å; I137-V159 HydrophobicContact CG1-CG1 4.19Å; I137-V159 HydrophobicContact CG1-CG2 4.14Å; I137-V159 HydrophobicContact CG2-CG2 4.21Å
138T98Very high97.1Very high0 Ų021.4 Ų21.40%014%0.135CC..EExtended strand (participates in β ladder)trans-113.1118.3170.3-580000110A102 D103 T104 V140 H157 E158 N207A102-T138 HydrophobicContact CB-CG2 4.02Å; D103-T138 CarbonylContact O-C 3.58Å; D103-T138 WeakPolarHBondContact O-CA 3.39Å; D103-T138 WeakPolarHBondContact O-CG2 3.16Å; T104-T138 WeakPolarHBondContact CG2-OG1 3.42Å; T104-T138 WeakPolarHBondContact OG1-CG2 3.46Å; T104-T138 PolarHBondContact OG1-OG1 3.34Å; T138-V140 HydrophobicContact CG2-CG2 4.01Å; T138-H157 CarbonylContact O-C 3.56Å; T138-H157 WeakPolarHBondContact O-CA 3.37Å; T138-E158 PolarHBondContact N-O 3.33Å; T138-E158 PolarHBondContact O-N 2.87Å; T138-N207 WeakPolarHBondContact CB-OD1 3.12Å; T138-N207 PolarHBondContact N-OD1 2.64Å; T138-N207 PolarHBondContact OG1-O 2.64Å; T138-N207 VanDerWaalsContact OG1-O 3.12Å; T138-N207 PolarHBondContact OG1-OD1 2.94Å
139G97.8Very high96.9Very high0 Ų025.5 Ų25.50%015%0.146CC..EExtended strand (participates in β ladder)trans-84.8140.9166.300000110I75 A79 A102 D103I75-G139 VanDerWaalsContact CG2-N 3.29Å; A79-G139 WeakPolarHBondContact CB-O 3.38Å; A102-G139 CarbonylContact C-O 3.57Å; A102-G139 WeakPolarHBondContact CA-O 3.43Å; D103-G139 PolarHBondContact N-O 2.82Å; D103-G139 PolarHBondContact O-N 3.16Å
140V98.6Very high96.6Very high0 Ų030.7 Ų30.70%017%0.171CC..EExtended strand (participates in β ladder)trans-133136.9-178.2-1750000109G101 A102 T138 L142 Q155 F156 L211 P212 L216G101-V140 WeakPolarHBondContact O-CA 3.45Å; A102-V140 HydrophobicContact CB-CG2 4.13Å; T138-V140 HydrophobicContact CG2-CG2 4.01Å; V140-L142 HydrophobicContact CG1-CD1 3.89Å; V140-Q155 WeakPolarHBondContact O-CA 3.15Å; V140-F156 HydrophobicContact CB-CD1 4.25Å; V140-F156 HydrophobicContact CB-CD2 4.32Å; V140-F156 HydrophobicContact CB-CE1 3.78Å; V140-F156 HydrophobicContact CB-CE2 3.85Å; V140-F156 HydrophobicContact CB-CZ 3.55Å; V140-F156 HydrophobicContact CG1-CE1 3.74Å; V140-F156 HydrophobicContact CG1-CE2 4.4Å; V140-F156 HydrophobicContact CG1-CZ 3.63Å; V140-F156 HydrophobicContact CG2-CE2 3.85Å; V140-F156 HydrophobicContact CG2-CZ 3.88Å; V140-F156 PolarHBondContact N-O 3.46Å; V140-F156 PolarHBondContact O-N 3.15Å; V140-F156 VanDerWaalsContact O-N 3.07Å; V140-L211 HydrophobicContact CG2-CD1 4.35Å; V140-P212 HydrophobicContact CG2-CG 3.75Å; V140-L216 HydrophobicContact CG1-CD1 4.19Å
141C98.7Very high96.4Very high0 Ų033.9 Ų33.90%018%0.184CC..EExtended strand (participates in β ladder)trans-125.4136.5173-178.90000109.6A79 K80 V83 I100 G101 D154 Q155A79-C141 HydrophobicContact CB-CB 4.24Å; K80-C141 HydrophobicContact CB-CB 4.21Å; V83-C141 HydrophobicContact CB-CB 4.46Å; V83-C141 HydrophobicContact CG2-CB 3.82Å; I100-C141 WeakPolarHBondContact CA-O 3.32Å; G101-C141 PolarHBondContact N-O 2.87Å; G101-C141 PolarHBondContact O-N 3.11Å; C141-D154 CarbonylContact C-O 3.58Å; C141-D154 WeakPolarHBondContact CA-O 3.03Å; C141-Q155 HydrophobicContact CB-CG 4.18Å
142L98.6Very high96.3Very high0 Ų035 Ų350%019%0.185CC..EExtended strand (participates in β ladder)trans-121.9129.2168.3-62.883.3000108.5V98 V99 I100 V140 T153 D154 F156 L216 L220V98-L142 HydrophobicContact CG2-CB 4.46Å; V98-L142 HydrophobicContact CG2-CD2 4.3Å; V99-L142 CarbonylContact O-C 3.56Å; V99-L142 VanDerWaalsContact O-CA 3.31Å; V99-L142 WeakPolarHBondContact O-CA 3.34Å; I100-L142 HydrophobicContact CG1-CD2 4.28Å; I100-L142 HydrophobicContact CG1-CG 4.23Å; V140-L142 HydrophobicContact CG1-CD1 3.89Å; L142-T153 CarbonylContact O-C 3.57Å; L142-T153 VanDerWaalsContact O-CA 3.3Å; L142-T153 WeakPolarHBondContact O-CA 3.1Å; L142-D154 HydrophobicContact CB-CB 4.26Å; L142-D154 HydrophobicContact CD1-CB 4.36Å; L142-D154 PolarHBondContact N-O 2.67Å; L142-D154 PolarHBondContact O-N 3.39Å; L142-F156 HydrophobicContact CD1-CD1 4.47Å; L142-F156 HydrophobicContact CD1-CE1 3.69Å; L142-L216 HydrophobicContact CD1-CD1 3.8Å; L142-L216 HydrophobicContact CD2-CD1 3.83Å; L142-L216 HydrophobicContact CG-CD1 4.07Å; L142-L220 HydrophobicContact CD2-CD2 3.57Å; L142-L220 HydrophobicContact CD2-CG 3.88Å
143K98.1Very high96.2Very high17 Ų1734 Ų347%0.07418%0.182CC..EExtended strand (participates in β ladder)trans-117.6123.5170.9-172174.1-72.1-168.10110.2V83 D84 V87 V98 V99 I145 Q150V83-K143 HydrophobicContact CG1-CB 3.53Å; D84-K143 VanDerWaalsContact OD1-CE 3.25Å; D84-K143 WeakPolarHBondContact OD1-CE 3.18Å; D84-K143 IonicContact OD1-NZ 2.67Å; D84-K143 PolarHBondContact OD1-NZ 3.19Å; V87-K143 HydrophobicContact CG1-CD 4.2Å; V87-K143 HydrophobicContact CG2-CD 4.07Å; V98-K143 WeakPolarHBondContact CA-O 3.39Å; V99-K143 PolarHBondContact N-O 2.84Å; V99-K143 PolarHBondContact O-N 3.03Å; K143-I145 HydrophobicContact CG-CG1 4.3Å; K143-Q150 HydrophobicContact CD-CG 3.97Å; K143-Q150 HydrophobicContact CG-CG 3.84Å
144W97Very high96.2Very high0 Ų032 Ų320%017%0.168CC..EExtended strand (participates in β ladder)trans-99.8125.1179.6-6086.9000110.2I30 V98 Q150 Q151 K152 D154 L220 C224 I227I30-W144 HydrophobicContact CD1-CE3 4.4Å; I30-W144 HydrophobicContact CD1-CZ3 4.02Å; V98-W144 HydrophobicContact CB-CD2 4.1Å; V98-W144 HydrophobicContact CB-CE3 3.69Å; V98-W144 HydrophobicContact CB-CH2 4.4Å; V98-W144 HydrophobicContact CB-CZ3 3.87Å; V98-W144 HydrophobicContact CG1-CZ3 4.27Å; V98-W144 HydrophobicContact CG2-CD2 3.73Å; V98-W144 HydrophobicContact CG2-CE3 3.8Å; V98-W144 HydrophobicContact CG2-CG 4.35Å; V98-W144 HydrophobicContact CG2-CH2 4.09Å; V98-W144 HydrophobicContact CG2-CZ2 4.01Å; V98-W144 HydrophobicContact CG2-CZ3 4Å; W144-Q150 CarbonylContact O-C 3.58Å; W144-Q150 WeakPolarHBondContact O-CA 3.32Å; W144-Q151 PolarHBondContact O-N 2.76Å; W144-K152 HydrophobicContact CB-CB 4.13Å; W144-K152 HydrophobicContact CG-CB 4.21Å; W144-K152 PolarHBondContact N-O 2.99Å; W144-D154 PolarHBondContact NE1-OD2 3.12Å; W144-L220 HydrophobicContact CH2-CD2 4.15Å; W144-L220 WeakPolarHBondContact CH2-O 3.3Å; W144-L220 HydrophobicContact CZ2-CD2 4.2Å; W144-C224 HydrophobicContact CH2-CB 3.94Å; W144-C224 HydrophobicContact CZ3-CB 4.3Å; W144-I227 HydrophobicContact CB-CD1 3.5Å; W144-I227 HydrophobicContact CD2-CD1 3.35Å; W144-I227 HydrophobicContact CE3-CD1 3.19Å; W144-I227 HydrophobicContact CG-CD1 3.53Å; W144-I227 HydrophobicContact CZ3-CD1 3.99Å
145I95.5Very high96.1Very high3 Ų335.4 Ų35.42%0.01518%0.184CC..EExtended strand (participates in β ladder)trans-126118.3-178.2-56.9171.2000107.3V87 I92 N96 Y97 K143 K149V87-I145 HydrophobicContact CB-CD1 4.22Å; V87-I145 HydrophobicContact CG1-CD1 3.49Å; V87-I145 VanDerWaalsContact CG1-CD1 3.49Å; V87-I145 HydrophobicContact CG2-CD1 3.78Å; I92-I145 HydrophobicContact CB-CG2 3.82Å; I92-I145 HydrophobicContact CG2-CD1 4.06Å; I92-I145 HydrophobicContact CG2-CG2 3.87Å; N96-I145 CarbonylContact C-O 3.48Å; N96-I145 VanDerWaalsContact CA-O 3.27Å; N96-I145 WeakPolarHBondContact CA-O 3.49Å; Y97-I145 PolarHBondContact N-O 2.92Å; Y97-I145 PolarHBondContact O-N 2.83Å; K143-I145 HydrophobicContact CG-CG1 4.3Å; I145-K149 WeakPolarHBondContact CA-O 3.47Å
146V92.7Very high96.1Very high8 Ų831.6 Ų31.65%0.04817%0.167CC..EExtended strand (participates in β ladder)trans-139134-176.6-177.10000108.3N96 G148 K149 Q151 I227N96-V146 HydrophobicContact CB-CG2 4.43Å; N96-V146 VanDerWaalsContact OD1-CA 3.29Å; N96-V146 WeakPolarHBondContact OD1-CA 3.28Å; N96-V146 WeakPolarHBondContact OD1-CG1 3.47Å; V146-G148 VanDerWaalsContact C-N 3.34Å; V146-G148 PolarHBondContact O-N 2.72Å; V146-K149 PolarHBondContact N-O 3.04Å; V146-K149 PolarHBondContact O-N 3.13Å; V146-K149 VanDerWaalsContact O-N 3.15Å; V146-K149 VanDerWaalsContact O-O 3.12Å; V146-Q151 HydrophobicContact CB-CG 3.72Å; V146-Q151 HydrophobicContact CG2-CG 3.99Å; V146-Q151 PolarHBondContact O-NE2 3.25Å; V146-I227 HydrophobicContact CG1-CG2 4.47Å; V146-I227 HydrophobicContact CG2-CD1 4.35Å; V146-I227 HydrophobicContact CG2-CG2 3.76Å
147S90.8Very high96.1Very high94 Ų9434.4 Ų34.466%0.65718%0.18SC*.THydrogen-bonded Turntrans51.848.8-179.8-53.50000112.9N96 K149N96-S147 PolarHBondContact OD1-N 2.93Å; S147-K149 VanDerWaalsContact C-N 3.26Å; S147-K149 PolarHBondContact O-N 2.95Å
148G90.8Very high96.2Very high28 Ų2836.2 Ų36.229%0.28919%0.188SC..THydrogen-bonded Turntrans74.45.6177.800000116I92 V146I92-G148 WeakPolarHBondContact O-CA 3.17Å; I92-G148 PolarHBondContact O-N 3.13Å; V146-G148 VanDerWaalsContact C-N 3.34Å; V146-G148 PolarHBondContact O-N 2.72Å
149K93.2Very high96.2Very high147 Ų14738.5 Ų38.564%0.63920%0.202SC*.EExtended strand (participates in β ladder)trans-134.2141.8-174.9-64.6-179.3-176.3176.80112.2I145 V146 S147 Q151I145-K149 WeakPolarHBondContact CA-O 3.47Å; V146-K149 PolarHBondContact N-O 3.04Å; V146-K149 PolarHBondContact O-N 3.13Å; V146-K149 VanDerWaalsContact O-N 3.15Å; V146-K149 VanDerWaalsContact O-O 3.12Å; S147-K149 VanDerWaalsContact C-N 3.26Å; S147-K149 PolarHBondContact O-N 2.95Å; K149-Q151 PolarHBondContact O-N 3.35Å
150Q93.1Very high96.2Very high109 Ų10938.5 Ų38.551%0.50920%0.202SC..EExtended strand (participates in β ladder)trans-67115.7168-174.6-173-68.400109.1K143 W144 T153K143-Q150 HydrophobicContact CD-CG 3.97Å; K143-Q150 HydrophobicContact CG-CG 3.84Å; W144-Q150 CarbonylContact O-C 3.58Å; W144-Q150 WeakPolarHBondContact O-CA 3.32Å; Q150-T153 PolarHBondContact NE2-OG1 2.92Å
151Q93.6Very high96.2Very high75 Ų7541.4 Ų41.435%0.3522%0.218SC..EExtended strand (participates in β ladder)trans-90.7-36.3-179.6-62.3-57.8-39.300112.3W144 V146 K149W144-Q151 PolarHBondContact O-N 2.76Å; V146-Q151 HydrophobicContact CB-CG 3.72Å; V146-Q151 HydrophobicContact CG2-CG 3.99Å; V146-Q151 PolarHBondContact O-NE2 3.25Å; K149-Q151 PolarHBondContact O-N 3.35Å
152K95Very high96.2Very high39 Ų3941.4 Ų41.417%0.1722%0.218CC..EExtended strand (participates in β ladder)trans-157.5149.9-170-176.4165.8176.81690111.5W144 D154 E226W144-K152 HydrophobicContact CB-CB 4.13Å; W144-K152 HydrophobicContact CG-CB 4.21Å; W144-K152 PolarHBondContact N-O 2.99Å; K152-D154 WeakPolarHBondContact CE-OD1 3.49Å; K152-D154 VanDerWaalsContact CE-OD2 3.23Å; K152-D154 WeakPolarHBondContact CE-OD2 3.38Å; K152-D154 IonicContact NZ-OD1 3.67Å; K152-E226 IonicContact NZ-OE2 2.8Å; K152-E226 PolarHBondContact NZ-OE2 3.47Å
153T97.8Very high96.2Very high44 Ų4443.6 Ų43.627%0.2723%0.227SC..EExtended strand (participates in β ladder)trans-133.3119.3167.6-610000108.1L142 Q150 Q155L142-T153 CarbonylContact O-C 3.57Å; L142-T153 VanDerWaalsContact O-CA 3.3Å; L142-T153 WeakPolarHBondContact O-CA 3.1Å; Q150-T153 PolarHBondContact NE2-OG1 2.92Å; T153-Q155 HydrophobicContact CG2-CG 4.26Å
154D98Very high96.3Very high17 Ų1742.8 Ų42.89%0.09122%0.224CC..EExtended strand (participates in β ladder)trans-102132.1172.3-63.7-70.6000108.6C141 L142 W144 K152 Y219C141-D154 CarbonylContact C-O 3.58Å; C141-D154 WeakPolarHBondContact CA-O 3.03Å; L142-D154 HydrophobicContact CB-CB 4.26Å; L142-D154 HydrophobicContact CD1-CB 4.36Å; L142-D154 PolarHBondContact N-O 2.67Å; L142-D154 PolarHBondContact O-N 3.39Å; W144-D154 PolarHBondContact NE1-OD2 3.12Å; K152-D154 WeakPolarHBondContact CE-OD1 3.49Å; K152-D154 VanDerWaalsContact CE-OD2 3.23Å; K152-D154 WeakPolarHBondContact CE-OD2 3.38Å; K152-D154 IonicContact NZ-OD1 3.67Å; D154-Y219 HydrophobicContact CB-CD1 3.62Å; D154-Y219 HydrophobicContact CB-CE1 4.04Å
155Q97.8Very high96.3Very high74 Ų7445.3 Ų45.335%0.34624%0.236SC..EExtended strand (participates in β ladder)trans-131.6136.2171.9-71.9176.5103.300108.6V140 C141 T153V140-Q155 WeakPolarHBondContact O-CA 3.15Å; C141-Q155 HydrophobicContact CB-CG 4.18Å; T153-Q155 HydrophobicContact CG2-CG 4.26Å
156F98.3Very high96.5Very high4 Ų451.9 Ų51.92%0.01827%0.267CS..EExtended strand (participates in β ladder)trans-158.6166.1175.466.4-87.5000110E76 V140 L142 P212 R215 L216 Y219E76-F156 VanDerWaalsContact OE1-CA 3.27Å; E76-F156 WeakPolarHBondContact OE1-CA 3.38Å; V140-F156 HydrophobicContact CB-CD1 4.25Å; V140-F156 HydrophobicContact CB-CD2 4.32Å; V140-F156 HydrophobicContact CB-CE1 3.78Å; V140-F156 HydrophobicContact CB-CE2 3.85Å; V140-F156 HydrophobicContact CB-CZ 3.55Å; V140-F156 HydrophobicContact CG1-CE1 3.74Å; V140-F156 HydrophobicContact CG1-CE2 4.4Å; V140-F156 HydrophobicContact CG1-CZ 3.63Å; V140-F156 HydrophobicContact CG2-CE2 3.85Å; V140-F156 HydrophobicContact CG2-CZ 3.88Å; V140-F156 PolarHBondContact N-O 3.46Å; V140-F156 PolarHBondContact O-N 3.15Å; V140-F156 VanDerWaalsContact O-N 3.07Å; L142-F156 HydrophobicContact CD1-CD1 4.47Å; L142-F156 HydrophobicContact CD1-CE1 3.69Å; F156-P212 HydrophobicContact CE2-CG 3.88Å; F156-R215 HydrophobicContact CD2-CG 3.82Å; F156-R215 HydrophobicContact CE2-CB 3.93Å; F156-R215 HydrophobicContact CE2-CG 3.59Å; F156-R215 HydrophobicContact CZ-CB 4.49Å; F156-R215 HydrophobicContact CZ-CG 4.25Å; F156-L216 HydrophobicContact CZ-CB 4.32Å; F156-Y219 HydrophobicContact CB-CE2 3.88Å; F156-Y219 WeakPolarHBondContact CB-OH 3.38Å; F156-Y219 HydrophobicContact CD1-CD1 4.08Å; F156-Y219 AromaticContact CD1-CD2 3.39Å; F156-Y219 HydrophobicContact CD1-CD2 3.39Å; F156-Y219 AromaticContact CD1-CE1 3.97Å; F156-Y219 HydrophobicContact CD1-CE1 3.97Å; F156-Y219 AromaticContact CD1-CE2 3.29Å; F156-Y219 HydrophobicContact CD1-CE2 3.29Å; F156-Y219 AromaticContact CD1-CG 3.8Å; F156-Y219 HydrophobicContact CD1-CG 3.8Å; F156-Y219 AromaticContact CD1-CZ 3.58Å; F156-Y219 HydrophobicContact CD2-CD2 4.43Å; F156-Y219 HydrophobicContact CD2-CE2 4.03Å; F156-Y219 HydrophobicContact CE1-CD1 4.34Å; F156-Y219 AromaticContact CE1-CD2 3.31Å; F156-Y219 HydrophobicContact CE1-CD2 3.31Å; F156-Y219 AromaticContact CE1-CE2 3.73Å; F156-Y219 HydrophobicContact CE1-CE2 3.73Å; F156-Y219 AromaticContact CE1-CG 3.66Å; F156-Y219 HydrophobicContact CE1-CG 3.66Å; F156-Y219 HydrophobicContact CE2-CD2 4.38Å; F156-Y219 HydrophobicContact CE2-CE2 4.4Å; F156-Y219 AromaticContact CG-CD2 3.97Å; F156-Y219 HydrophobicContact CG-CD2 3.97Å; F156-Y219 AromaticContact CG-CE2 3.46Å; F156-Y219 HydrophobicContact CG-CE2 3.46Å; F156-Y219 VanDerWaalsContact CG-CE2 3.46Å; F156-Y219 AromaticContact CG-CZ 3.79Å; F156-Y219 AromaticContact CZ-CD2 3.85Å; F156-Y219 HydrophobicContact CZ-CD2 3.85Å; F156-Y219 HydrophobicContact CZ-CE2 4.27Å
157H98.2Very high96.8Very high60 Ų6051.9 Ų51.928%0.27827%0.267SS..EExtended strand (participates in β ladder)trans-130162.4170.461.9-89.3000111.2P72 E76 I137 T138 R215P72-H157 HydrophobicContact CB-CB 4.4Å; E76-H157 HydrophobicContact CG-CB 4.15Å; E76-H157 IonicContact OE1-CE1 2.86Å; E76-H157 IonicContact OE1-CG 3.64Å; E76-H157 PolarHBondContact OE1-N 2.69Å; E76-H157 VanDerWaalsContact OE1-N 3.08Å; E76-H157 IonicContact OE1-ND1 3.51Å; E76-H157 PolarHBondContact OE1-ND1 2.78Å; I137-H157 HydrophobicContact CG2-CB 4.41Å; T138-H157 CarbonylContact O-C 3.56Å; T138-H157 WeakPolarHBondContact O-CA 3.37Å; H157-R215 PolarHBondContact O-NH1 2.88Å; H157-R215 VanDerWaalsContact O-NH1 3.12Å
158E98.4Very high97.1Very high41 Ų4149.8 Ų49.819%0.19225%0.252CS..EExtended strand (participates in β ladder)trans-125.1138.3168.9-170.362.5-142.100109.1I137 T138 D204 N207 P212 R215I137-E158 WeakPolarHBondContact CA-O 3.18Å; T138-E158 PolarHBondContact N-O 3.33Å; T138-E158 PolarHBondContact O-N 2.87Å; E158-D204 HydrophobicContact CG-CB 4.05Å; E158-N207 HydrophobicContact CB-CB 4.11Å; E158-N207 HydrophobicContact CG-CB 3.78Å; E158-N207 PolarHBondContact O-ND2 2.81Å; E158-N207 PolarHBondContact O-OD1 3.26Å; E158-P212 HydrophobicContact CB-CB 3.57Å; E158-P212 HydrophobicContact CB-CG 3.81Å; E158-P212 HydrophobicContact CG-CB 3.9Å; E158-R215 WeakPolarHBondContact OE2-CD 3.27Å; E158-R215 IonicContact OE2-CZ 3.49Å; E158-R215 IonicContact OE2-NE 3.81Å; E158-R215 IonicContact OE2-NH1 3.2Å; E158-R215 PolarHBondContact OE2-NH1 2.89Å
159V98.1Very high97.5Very high48 Ų4853.7 Ų53.729%0.29127%0.272SS..EExtended strand (participates in β ladder)trans-116.7133.8177.8-176.90000108.3Q135 I137Q135-V159 HydrophobicContact CB-CG1 4.14Å; Q135-V159 HydrophobicContact CG-CG1 4.17Å; I137-V159 HydrophobicContact CD1-CG2 4.46Å; I137-V159 HydrophobicContact CG1-CG1 4.19Å; I137-V159 HydrophobicContact CG1-CG2 4.14Å; I137-V159 HydrophobicContact CG2-CG2 4.21Å
160T98.6Very high97.7Very high0 Ų053.6 Ų53.60%028%0.278CS..EExtended strand (participates in β ladder)trans-134.5129.1177.3-62.70000109.8Q135 V136 V162 I201 D204 N207 V208Q135-T160 WeakPolarHBondContact CA-O 3.48Å; V136-T160 PolarHBondContact N-O 3.07Å; V136-T160 PolarHBondContact O-N 3.12Å; T160-V162 HydrophobicContact CG2-CG2 4.32Å; T160-I201 HydrophobicContact CG2-CG2 3.41Å; T160-I201 VanDerWaalsContact CG2-CG2 3.41Å; T160-D204 PolarHBondContact OG1-N 3.35Å; T160-D204 PolarHBondContact OG1-O 3.26Å; T160-N207 WeakPolarHBondContact CB-ND2 3.48Å; T160-N207 PolarHBondContact N-ND2 3.12Å; T160-N207 PolarHBondContact OG1-ND2 2.86Å; T160-V208 HydrophobicContact CG2-CG2 3.48Å; T160-V208 VanDerWaalsContact CG2-CG2 3.48Å
161N98.7Very high98Very high62 Ų6252.4 Ų52.433%0.33227%0.274SS..EExtended strand (participates in β ladder)trans-83.6132.7176.3-62.3-42000108.7V133 H134 Q135 D202V133-N161 HydrophobicContact CG1-CB 3.87Å; H134-N161 WeakPolarHBondContact O-CA 3.41Å; Q135-N161 WeakPolarHBondContact CG-OD1 3.45Å; N161-D202 HydrophobicContact CB-CB 4.18Å; N161-D202 PolarHBondContact N-O 3.07Å; N161-D202 VanDerWaalsContact N-O 3.13Å; N161-D202 PolarHBondContact O-N 2.85Å
162V98.7Very high98.2Very high0 Ų049.2 Ų49.20%026%0.259CS..EExtended strand (participates in β ladder)trans-126.5124.9-178.7177.30000108.1V133 H134 V136 T160 I198 I201 V208V133-V162 WeakPolarHBondContact CA-O 3.19Å; H134-V162 PolarHBondContact N-O 3.18Å; H134-V162 PolarHBondContact ND1-O 3.36Å; H134-V162 PolarHBondContact O-N 3.08Å; V136-V162 HydrophobicContact CG2-CB 4.46Å; V136-V162 HydrophobicContact CG2-CG2 3.72Å; T160-V162 HydrophobicContact CG2-CG2 4.32Å; V162-I198 HydrophobicContact CG1-CD1 3.69Å; V162-I198 HydrophobicContact CG1-CG1 4.15Å; V162-I198 HydrophobicContact CG1-CG2 3.63Å; V162-I201 HydrophobicContact CG2-CG1 4.44Å; V162-V208 HydrophobicContact CG2-CG1 4.26Å; V162-V208 HydrophobicContact CG2-CG2 3.7Å
163K98.7Very high98.3Very high46 Ų4650.6 Ų50.620%0.227%0.266CS..EExtended strand (participates in β ladder)trans-93.8116.6175.9174.765.8-175-176.80109.1G131 V133 E199 R200G131-K163 PolarHBondContact O-NZ 3.19Å; V133-K163 HydrophobicContact CG2-CB 4.13Å; V133-K163 HydrophobicContact CG2-CD 3.62Å; V133-K163 HydrophobicContact CG2-CG 4.43Å; K163-E199 HydrophobicContact CB-CB 4.3Å; K163-E199 VanDerWaalsContact CE-OE2 3.3Å; K163-E199 WeakPolarHBondContact CE-OE2 3.27Å; K163-E199 HydrophobicContact CG-CB 3.75Å; K163-E199 HydrophobicContact CG-CG 4.41Å; K163-E199 WeakPolarHBondContact CG-OE2 3.28Å; K163-E199 PolarHBondContact O-N 2.63Å; K163-R200 HydrophobicContact CB-CG 3.57Å; K163-R200 HydrophobicContact CG-CG 4.24Å; K163-R200 PolarHBondContact N-O 3.04Å
164M98.7Very high98.4Very high0 Ų050.5 Ų50.50%027%0.273CS..EExtended strand (participates in β ladder)trans-87.3143.2169.7-166.2171.1-76.500109.9L126 L129 N132 L167 Y188 L197 I198L126-M164 HydrophobicContact CD2-CE 4.11Å; L126-M164 HydrophobicContact CD2-SD 4.46Å; L129-M164 HydrophobicContact CB-CE 3.93Å; L129-M164 HydrophobicContact CB-SD 3.76Å; L129-M164 HydrophobicContact CD1-CE 4.22Å; N132-M164 PolarHBondContact O-N 2.85Å; M164-L167 HydrophobicContact CG-CD1 4.15Å; M164-L167 HydrophobicContact CG-CG 4.36Å; M164-L167 HydrophobicContact SD-CD1 3.51Å; M164-L167 VanDerWaalsContact SD-CD1 3.51Å; M164-L167 HydrophobicContact SD-CG 4.28Å; M164-Y188 HydrophobicContact CE-CD1 3.98Å; M164-Y188 HydrophobicContact CE-CE1 4.35Å; M164-Y188 HydrophobicContact CE-CG 4.27Å; M164-L197 WeakPolarHBondContact CA-O 3.41Å; M164-L197 VanDerWaalsContact CG-O 3.31Å; M164-L197 WeakPolarHBondContact CG-O 3.43Å; M164-I198 HydrophobicContact CB-CD1 4.37Å; M164-I198 HydrophobicContact CE-CD1 4.06Å; M164-I198 HydrophobicContact CG-CD1 4.36Å
165I98.6Very high98.4Very high52 Ų5250.4 Ų50.427%0.26727%0.272SS..PPolyproline II helixtrans-68166.8171.568174.8000110.3G131 L167 L197 E199G131-I165 PolarHBondContact N-O 3.06Å; I165-L167 HydrophobicContact CD1-CD2 3.96Å; I165-L167 HydrophobicContact CG1-CD2 3.57Å; I165-L167 HydrophobicContact CG1-CG 4.41Å; I165-L167 PolarHBondContact O-N 3.49Å; I165-L197 PolarHBondContact N-O 3.31Å; I165-E199 HydrophobicContact CG2-CB 3.83Å; I165-E199 HydrophobicContact CG2-CG 4.4Å
166E98.6Very high98.4Very high141 Ų14147 Ų4766%0.65926%0.256SS*.PPolyproline II helixtrans-67.6119.8167.4-166.862.7-127.300110S130 G131S130-E166 PolarHBondContact OG-OE1 3Å; G131-E166 WeakPolarHBondContact CA-OE2 3.38Å
167L98.4Very high98.4Very high9 Ų953.2 Ų53.25%0.04729%0.285CS..PPolyproline II helixtrans-101.7119.9-178.6-59.9-178.9000111S130 M164 I165 M171 I172 L197S130-L167 PolarHBondContact OG-N 2.84Å; M164-L167 HydrophobicContact CG-CD1 4.15Å; M164-L167 HydrophobicContact CG-CG 4.36Å; M164-L167 HydrophobicContact SD-CD1 3.51Å; M164-L167 VanDerWaalsContact SD-CD1 3.51Å; M164-L167 HydrophobicContact SD-CG 4.28Å; I165-L167 HydrophobicContact CD1-CD2 3.96Å; I165-L167 HydrophobicContact CG1-CD2 3.57Å; I165-L167 HydrophobicContact CG1-CG 4.41Å; I165-L167 PolarHBondContact O-N 3.49Å; L167-M171 HydrophobicContact CD2-CE 4.43Å; L167-I172 HydrophobicContact CB-CD1 3.97Å; L167-I172 HydrophobicContact CB-CG1 3.64Å; L167-I172 HydrophobicContact CD1-CG1 4.03Å; L167-I172 HydrophobicContact CG-CG1 4.49Å; L167-L197 HydrophobicContact CD1-CD1 4.48Å; L167-L197 HydrophobicContact CD2-CB 4.33Å; L167-L197 HydrophobicContact CD2-CD2 3.72Å
168S98.3Very high98.3Very high50 Ų5053 Ų5335%0.3529%0.29SS..PPolyproline II helixtrans-67.3152.316775.10000110.9L170 M171 I172S168-L170 PolarHBondContact O-N 3.16Å; S168-L170 VanDerWaalsContact O-N 3.11Å; S168-M171 PolarHBondContact O-N 3.08Å; S168-M171 WeakPolarHBondContact OG-CG 3.37Å; S168-M171 PolarHBondContact OG-N 2.68Å; S168-I172 PolarHBondContact O-N 3.32Å; S168-I172 VanDerWaalsContact O-N 3.08Å
169P98.4Very high98.2Very high109 Ų10953 Ų5371%0.70830%0.301SS*.Hα-helixtrans-52.8-35.3175.4-28.835.6000113.7I172 E173P169-I172 PolarHBondContact O-N 3.42Å; P169-E173 WeakPolarHBondContact O-CB 3.19Å; P169-E173 PolarHBondContact O-N 3.3Å
170L98.3Very high98.2Very high145 Ų14552.4 Ų52.476%0.75930%0.295SS*.Hα-helixtrans-66.2-38.9177-178.165.5000112.5S168 G174S168-L170 PolarHBondContact O-N 3.16Å; S168-L170 VanDerWaalsContact O-N 3.11Å; L170-G174 PolarHBondContact O-N 2.85Å
171M98.2Very high98.1Very high85 Ų8552.4 Ų52.442%0.41930%0.295SS..Hα-helixtrans-68.9-41.4177.1-72.5-170.8-66.900111.3L167 S168 Y175L167-M171 HydrophobicContact CD2-CE 4.43Å; S168-M171 PolarHBondContact O-N 3.08Å; S168-M171 WeakPolarHBondContact OG-CG 3.37Å; S168-M171 PolarHBondContact OG-N 2.68Å; M171-Y175 WeakPolarHBondContact O-CB 3.27Å; M171-Y175 PolarHBondContact O-N 2.8Å
172I98.6Very high97.9Very high7 Ų752.6 Ų52.64%0.03630%0.295CS..Hα-helixtrans-59.9-53.6176.2-64.3177.6000109.9V123 L126 S127 L167 S168 P169 G174 Y175 V176V123-I172 HydrophobicContact CB-CG2 4.19Å; V123-I172 HydrophobicContact CG1-CG2 3.97Å; V123-I172 HydrophobicContact CG2-CG2 4.16Å; L126-I172 HydrophobicContact CB-CD1 4.4Å; L126-I172 HydrophobicContact CB-CG1 4.31Å; L126-I172 HydrophobicContact CB-CG2 3.88Å; L126-I172 HydrophobicContact CD1-CG2 4.02Å; S127-I172 WeakPolarHBondContact OG-CD1 3.41Å; L167-I172 HydrophobicContact CB-CD1 3.97Å; L167-I172 HydrophobicContact CB-CG1 3.64Å; L167-I172 HydrophobicContact CD1-CG1 4.03Å; L167-I172 HydrophobicContact CG-CG1 4.49Å; S168-I172 PolarHBondContact O-N 3.32Å; S168-I172 VanDerWaalsContact O-N 3.08Å; P169-I172 PolarHBondContact O-N 3.42Å; I172-G174 PolarHBondContact O-N 3.02Å; I172-Y175 PolarHBondContact O-N 2.89Å; I172-V176 HydrophobicContact CG2-CG2 4.18Å; I172-V176 WeakPolarHBondContact O-CG2 3.46Å; I172-V176 PolarHBondContact O-N 2.99Å
173E98.2Very high97.6Very high69 Ų6955.8 Ų55.832%0.32231%0.312SS..Hα-helixtrans-58.3-48.2-179.6-173.962.8-15400111.4H119 P169 Y175 V176 Q177H119-E173 IonicContact CE1-OE1 2.68Å; H119-E173 PolarHBondContact CE1-OE1 2.93Å; H119-E173 IonicContact CE1-OE2 3.15Å; H119-E173 PolarHBondContact CE1-OE2 2.98Å; H119-E173 IonicContact NE2-OE1 2.69Å; H119-E173 PolarHBondContact NE2-OE1 3.41Å; P169-E173 WeakPolarHBondContact O-CB 3.19Å; P169-E173 PolarHBondContact O-N 3.3Å; E173-Y175 VanDerWaalsContact C-N 3.32Å; E173-Y175 PolarHBondContact O-N 3.42Å; E173-V176 PolarHBondContact O-N 3.44Å; E173-Q177 WeakPolarHBondContact O-CB 3.42Å; E173-Q177 WeakPolarHBondContact O-CG 3.46Å; E173-Q177 PolarHBondContact O-N 3.44Å; E173-Q177 PolarHBondContact OE1-NE2 3.06Å
174G97.9Very high97.4Very high41 Ų4155 Ų5542%0.42331%0.308SS..Hα-helixtrans-61.1-37.317800000113.5L170 I172L170-G174 PolarHBondContact O-N 2.85Å; I172-G174 PolarHBondContact O-N 3.02Å
175Y98.5Very high97.2Very high15 Ų1556 Ų566%0.05932%0.317CS..Hα-helixtrans-70.8-43.5176.2-179-124000111.9L126 M171 I172 E173 Q177 S178 E180 P181 A187 Y188 G189 L193 G194 L197L126-Y175 HydrophobicContact CD1-CD1 3.74Å; L126-Y175 HydrophobicContact CD1-CE1 4.33Å; L126-Y175 HydrophobicContact CD2-CD1 4.47Å; L126-Y175 HydrophobicContact CD2-CE1 4.47Å; M171-Y175 WeakPolarHBondContact O-CB 3.27Å; M171-Y175 PolarHBondContact O-N 2.8Å; I172-Y175 PolarHBondContact O-N 2.89Å; E173-Y175 VanDerWaalsContact C-N 3.32Å; E173-Y175 PolarHBondContact O-N 3.42Å; Y175-Q177 VanDerWaalsContact C-N 3.3Å; Y175-Q177 PolarHBondContact O-N 3.2Å; Y175-S178 VanDerWaalsContact O-CB 3.3Å; Y175-S178 WeakPolarHBondContact O-CB 2.89Å; Y175-S178 PolarHBondContact O-N 2.79Å; Y175-S178 VanDerWaalsContact O-N 3.13Å; Y175-S178 PolarHBondContact O-OG 3.17Å; Y175-E180 HydrophobicContact CE2-CB 4.27Å; Y175-E180 HydrophobicContact CE2-CG 4.5Å; Y175-E180 WeakPolarHBondContact CE2-OE1 3.42Å; Y175-E180 PolarHBondContact OH-OE1 3.1Å; Y175-P181 HydrophobicContact CD1-CG 3.68Å; Y175-P181 HydrophobicContact CE1-CB 4.5Å; Y175-P181 HydrophobicContact CE1-CG 3.41Å; Y175-P181 VanDerWaalsContact CE1-CG 3.41Å; Y175-P181 HydrophobicContact CE2-CG 4.41Å; Y175-P181 HydrophobicContact CG-CG 4.33Å; Y175-A187 WeakPolarHBondContact CE1-O 3.3Å; Y175-Y188 VanDerWaalsContact OH-CA 3.29Å; Y175-Y188 WeakPolarHBondContact OH-CA 3.43Å; Y175-G189 PolarHBondContact OH-N 2.88Å; Y175-L193 HydrophobicContact CD2-CB 4.08Å; Y175-L193 HydrophobicContact CE2-CB 3.78Å; Y175-G194 VanDerWaalsContact OH-CA 3.32Å; Y175-G194 WeakPolarHBondContact OH-CA 3.42Å; Y175-G194 PolarHBondContact OH-N 3.48Å; Y175-L197 HydrophobicContact CD1-CD1 3.41Å; Y175-L197 VanDerWaalsContact CD1-CD1 3.41Å; Y175-L197 HydrophobicContact CD2-CD1 4.33Å; Y175-L197 HydrophobicContact CE1-CD1 3.47Å; Y175-L197 VanDerWaalsContact CE1-CD1 3.47Å; Y175-L197 HydrophobicContact CE2-CD1 4.43Å; Y175-L197 HydrophobicContact CG-CD1 3.86Å
176V98.3Very high97.1Very high3 Ų353.5 Ų53.52%0.01830%0.304CS..Hα-helixtrans-63.3-38.6178.5-176.30000111H119 A122 V123 L126 I172 E173 S178 G179 M182H119-V176 HydrophobicContact CB-CG1 4.48Å; H119-V176 WeakPolarHBondContact CD2-CG1 3.38Å; H119-V176 WeakPolarHBondContact NE2-CG1 3.37Å; A122-V176 HydrophobicContact CB-CG1 3.79Å; A122-V176 HydrophobicContact CB-CG2 4.11Å; V123-V176 HydrophobicContact CG2-CB 4.32Å; V123-V176 HydrophobicContact CG2-CG1 4.38Å; V123-V176 HydrophobicContact CG2-CG2 3.85Å; L126-V176 HydrophobicContact CD1-CG2 3.61Å; I172-V176 HydrophobicContact CG2-CG2 4.18Å; I172-V176 WeakPolarHBondContact O-CG2 3.46Å; I172-V176 PolarHBondContact O-N 2.99Å; E173-V176 PolarHBondContact O-N 3.44Å; V176-S178 PolarHBondContact O-N 2.83Å; V176-S178 VanDerWaalsContact O-N 3.16Å; V176-G179 PolarHBondContact O-N 3.03Å; V176-M182 HydrophobicContact CG1-CE 3.69Å
177Q98Very high97.1Very high135 Ų13546.8 Ų46.863%0.63127%0.273SS*.Hα-helixtrans-61.6-21176.1-75.8176.34.500114.2E173 Y175 G179E173-Q177 WeakPolarHBondContact O-CB 3.42Å; E173-Q177 WeakPolarHBondContact O-CG 3.46Å; E173-Q177 PolarHBondContact O-N 3.44Å; E173-Q177 PolarHBondContact OE1-NE2 3.06Å; Y175-Q177 VanDerWaalsContact C-N 3.3Å; Y175-Q177 PolarHBondContact O-N 3.2Å; Q177-G179 PolarHBondContact O-N 2.78Å
178S97.1Very high97Very high55 Ų5547 Ų4739%0.38527%0.273SS..THydrogen-bonded Turntrans-68.2-19.217476.40000113.2Y175 V176 E180Y175-S178 VanDerWaalsContact O-CB 3.3Å; Y175-S178 WeakPolarHBondContact O-CB 2.89Å; Y175-S178 PolarHBondContact O-N 2.79Å; Y175-S178 VanDerWaalsContact O-N 3.13Å; Y175-S178 PolarHBondContact O-OG 3.17Å; V176-S178 PolarHBondContact O-N 2.83Å; V176-S178 VanDerWaalsContact O-N 3.16Å; S178-E180 PolarHBondContact O-N 2.99Å; S178-E180 WeakPolarHBondContact OG-CB 3.38Å; S178-E180 PolarHBondContact OG-N 2.77Å
179G96.6Very high96.9Very high40 Ų4044.9 Ų44.941%0.41226%0.26SS..SBendtrans75.4-10-173.900000114.7V176 Q177 P181 M182V176-G179 PolarHBondContact O-N 3.03Å; Q177-G179 PolarHBondContact O-N 2.78Å; G179-P181 VanDerWaalsContact C-CD 3.44Å; G179-P181 VanDerWaalsContact C-N 3.34Å; G179-M182 PolarHBondContact O-N 2.89Å
180E96.3Very high96.8Very high36 Ų3640.7 Ų40.717%0.16823%0.231CC..G310 helixtrans-55.9-38.3178.6-174.7-174.5108.200113.8Y175 S178 M182 K184 G192 L193 G194Y175-E180 HydrophobicContact CE2-CB 4.27Å; Y175-E180 HydrophobicContact CE2-CG 4.5Å; Y175-E180 WeakPolarHBondContact CE2-OE1 3.42Å; Y175-E180 PolarHBondContact OH-OE1 3.1Å; S178-E180 PolarHBondContact O-N 2.99Å; S178-E180 WeakPolarHBondContact OG-CB 3.38Å; S178-E180 PolarHBondContact OG-N 2.77Å; E180-M182 VanDerWaalsContact C-N 3.25Å; E180-M182 PolarHBondContact O-N 2.89Å; E180-K184 PolarHBondContact O-NZ 3.29Å; E180-G192 WeakPolarHBondContact OE2-CA 3.42Å; E180-L193 PolarHBondContact OE1-N 2.99Å; E180-L193 WeakPolarHBondContact OE2-CB 3.5Å; E180-L193 PolarHBondContact OE2-N 3.17Å; E180-G194 PolarHBondContact OE1-N 3.32Å
181P96.8Very high96.6Very high0 Ų037.6 Ų37.60%021%0.212CC..G310 helixtrans-60-26.7179.4-3644.6000116.5Y175 G179 D183 K184 A187Y175-P181 HydrophobicContact CD1-CG 3.68Å; Y175-P181 HydrophobicContact CE1-CB 4.5Å; Y175-P181 HydrophobicContact CE1-CG 3.41Å; Y175-P181 VanDerWaalsContact CE1-CG 3.41Å; Y175-P181 HydrophobicContact CE2-CG 4.41Å; Y175-P181 HydrophobicContact CG-CG 4.33Å; G179-P181 VanDerWaalsContact C-CD 3.44Å; G179-P181 VanDerWaalsContact C-N 3.34Å; P181-D183 VanDerWaalsContact C-N 3.32Å; P181-D183 PolarHBondContact O-N 3.31Å; P181-K184 PolarHBondContact O-N 3.37Å; P181-K184 VanDerWaalsContact O-N 3.15Å; P181-A187 HydrophobicContact CB-CB 4.09Å; P181-A187 WeakPolarHBondContact CB-O 3.5Å; P181-A187 WeakPolarHBondContact CG-O 3.33Å
182M95.6Very high96.5Very high66 Ų6634.9 Ų34.933%0.32521%0.207SC..G310 helixtrans-67.2-28.3-157.9-63-66.1118.800114.4P116 A122 V176 G179 E180P116-M182 HydrophobicContact CG-CE 4.14Å; P116-M182 HydrophobicContact CG-SD 4.24Å; A122-M182 HydrophobicContact CB-CE 3.38Å; V176-M182 HydrophobicContact CG1-CE 3.69Å; G179-M182 PolarHBondContact O-N 2.89Å; E180-M182 VanDerWaalsContact C-N 3.25Å; E180-M182 PolarHBondContact O-N 2.89Å
183D92.7Very high96.4Very high68 Ų6839.5 Ų39.536%0.36423%0.231SC..G310 helixtrans-99.813.8-179.379.9-54.3000113.7R40 P181R40-D183 IonicContact CZ-OD2 2.64Å; R40-D183 IonicContact NH1-OD2 3.61Å; R40-D183 PolarHBondContact NH1-OD2 3.15Å; R40-D183 PolarHBondContact NH2-O 2.6Å; R40-D183 IonicContact NH2-OD2 2.83Å; P181-D183 VanDerWaalsContact C-N 3.32Å; P181-D183 PolarHBondContact O-N 3.31Å
184K94.4Very high96.3Very high28 Ų2836.2 Ų36.212%0.12222%0.215CC..SBendtrans-126.7139.4-168.4-54.1-175.4178.658.90112.6P116 E180 P181 A187 Y188P116-K184 WeakPolarHBondContact CD-O 3.25Å; E180-K184 PolarHBondContact O-NZ 3.29Å; P181-K184 PolarHBondContact O-N 3.37Å; P181-K184 VanDerWaalsContact O-N 3.15Å; K184-A187 PolarHBondContact O-N 3.38Å; K184-Y188 VanDerWaalsContact CB-O 3.29Å; K184-Y188 WeakPolarHBondContact CB-O 3.31Å; K184-Y188 WeakPolarHBondContact CD-O 3.44Å
185A93.9Very high96.3Very high22 Ų2237.3 Ų37.318%0.18222%0.217CC..G310 helixtrans-63.1136.3174.400000110.4T104 V106 G114 A187T104-A185 VanDerWaalsContact O-CB 3.31Å; T104-A185 WeakPolarHBondContact O-CB 3.27Å; V106-A185 HydrophobicContact CG2-CB 4.26Å; V106-A185 WeakPolarHBondContact CG2-O 3.42Å; G114-A185 WeakPolarHBondContact O-CA 2.98Å; A185-A187 PolarHBondContact O-N 3.38Å
186G96.4Very high96.2Very high0 Ų040.8 Ų40.80%024%0.243CC..G310 helixtrans69.612.7-176.400000114.8F113 G114 I125 Y188F113-G186 PolarHBondContact O-N 3.04Å; G114-G186 PolarHBondContact O-N 3.42Å; I125-G186 VanDerWaalsContact CG2-O 3.27Å; I125-G186 WeakPolarHBondContact CG2-O 3.43Å; G186-Y188 VanDerWaalsContact C-N 3.3Å; G186-Y188 WeakPolarHBondContact O-CD1 3.46Å; G186-Y188 PolarHBondContact O-N 3.05Å
187A97.4Very high96.2Very high0 Ų041.1 Ų41.10%025%0.245CC..G310 helixtrans59.229.9175.700000115.3P116 A122 I125 L126 Y175 P181 K184 A185P116-A187 HydrophobicContact CB-CB 4.37Å; P116-A187 HydrophobicContact CG-CB 3.99Å; A122-A187 HydrophobicContact CB-CB 4.06Å; I125-A187 HydrophobicContact CB-CB 4.12Å; I125-A187 HydrophobicContact CD1-CB 4.28Å; I125-A187 HydrophobicContact CG2-CB 4Å; L126-A187 HydrophobicContact CG-CB 4.3Å; Y175-A187 WeakPolarHBondContact CE1-O 3.3Å; P181-A187 HydrophobicContact CB-CB 4.09Å; P181-A187 WeakPolarHBondContact CB-O 3.5Å; P181-A187 WeakPolarHBondContact CG-O 3.33Å; K184-A187 PolarHBondContact O-N 3.38Å; A185-A187 PolarHBondContact O-N 3.38Å
188Y97.9Very high96.2Very high12 Ų1235.8 Ų35.85%0.04722%0.22CC..  trans-146.7162168.875.9-81.3000113.3V106 L129 H134 V136 M164 Y175 K184 G186 I198V106-Y188 HydrophobicContact CG2-CE1 4.22Å; L129-Y188 HydrophobicContact CD1-CE1 4.43Å; H134-Y188 AromaticContact NE2-CE1 3.5Å; H134-Y188 WeakPolarHBondContact NE2-CE1 3.46Å; H134-Y188 AromaticContact NE2-CZ 3.45Å; H134-Y188 PolarHBondContact NE2-OH 2.93Å; V136-Y188 VanDerWaalsContact CG2-OH 3.26Å; V136-Y188 WeakPolarHBondContact CG2-OH 3.37Å; M164-Y188 HydrophobicContact CE-CD1 3.98Å; M164-Y188 HydrophobicContact CE-CE1 4.35Å; M164-Y188 HydrophobicContact CE-CG 4.27Å; Y175-Y188 VanDerWaalsContact OH-CA 3.29Å; Y175-Y188 WeakPolarHBondContact OH-CA 3.43Å; K184-Y188 VanDerWaalsContact CB-O 3.29Å; K184-Y188 WeakPolarHBondContact CB-O 3.31Å; K184-Y188 WeakPolarHBondContact CD-O 3.44Å; G186-Y188 VanDerWaalsContact C-N 3.3Å; G186-Y188 WeakPolarHBondContact O-CD1 3.46Å; G186-Y188 PolarHBondContact O-N 3.05Å; Y188-I198 HydrophobicContact CD2-CD1 4.04Å; Y188-I198 HydrophobicContact CD2-CG1 4.26Å; Y188-I198 HydrophobicContact CE2-CD1 3.78Å; Y188-I198 HydrophobicContact CE2-CG1 4.03Å
189G95.5Very high96.3Very high7 Ų738.6 Ų38.67%0.07223%0.227CC..  trans-131114.9178.300000113.6Y175 Q191 G192 G194 S195Y175-G189 PolarHBondContact OH-N 2.88Å; G189-Q191 PolarHBondContact O-N 2.9Å; G189-G192 PolarHBondContact O-N 3.36Å; G189-G194 CarbonylContact O-C 3.54Å; G189-G194 WeakPolarHBondContact O-CA 3.44Å; G189-G194 PolarHBondContact O-N 3.08Å; G189-S195 PolarHBondContact O-N 3.07Å
190I96Very high96.4Very high20 Ų2042.8 Ų42.810%0.10323%0.231CC..THydrogen-bonded Turntrans-66.7-22-179.2-163.970.4000114S195 I198 I201 Y205 V208 V209I190-S195 VanDerWaalsContact O-CB 3.26Å; I190-S195 WeakPolarHBondContact O-CB 3.43Å; I190-I198 HydrophobicContact CD1-CB 3.75Å; I190-I198 HydrophobicContact CD1-CG1 3.58Å; I190-I198 HydrophobicContact CD1-CG2 3.94Å; I190-I201 HydrophobicContact CD1-CD1 3.9Å; I190-I201 HydrophobicContact CG1-CD1 3.99Å; I190-Y205 HydrophobicContact CG1-CD2 4.4Å; I190-Y205 HydrophobicContact CG1-CE2 3.79Å; I190-Y205 HydrophobicContact CG2-CE2 3.94Å; I190-V208 HydrophobicContact CB-CG1 4.07Å; I190-V208 HydrophobicContact CG1-CG1 4.47Å; I190-V208 HydrophobicContact CG2-CG1 3.9Å; I190-V209 HydrophobicContact CG2-CG2 3.75Å
191Q94.5Very high96.5Very high80 Ų8043.4 Ų43.437%0.37424%0.235SC..THydrogen-bonded Turntrans-84.4-7.9179.8-65-179.7-75.500113.8E43 G189 V209E43-Q191 PolarHBondContact OE2-NE2 3.44Å; G189-Q191 PolarHBondContact O-N 2.9Å; Q191-V209 VanDerWaalsContact CD-CG1 3.42Å; Q191-V209 HydrophobicContact CG-CG1 4.07Å; Q191-V209 HydrophobicContact CG-CG2 3.91Å
192G95Very high96.6Very high29 Ų2947.1 Ų47.130%0.29926%0.255SS..SBendtrans-126.1-146.2-173.200000112.4E180 G189 G194 S195E180-G192 WeakPolarHBondContact OE2-CA 3.42Å; G189-G192 PolarHBondContact O-N 3.36Å; G192-G194 PolarHBondContact O-N 2.88Å; G192-S195 VanDerWaalsContact O-CB 3.29Å; G192-S195 WeakPolarHBondContact O-CB 3.5Å; G192-S195 PolarHBondContact O-N 3.24Å; G192-S195 PolarHBondContact O-OG 2.94Å; G192-S195 VanDerWaalsContact O-OG 3.09Å
193L97Very high96.7Very high103 Ų10346.7 Ų46.754%0.53927%0.267SS..G310 helixtrans-56.2-31.6177-62.4175.1000111.6Y175 E180 S195 S196Y175-L193 HydrophobicContact CD2-CB 4.08Å; Y175-L193 HydrophobicContact CE2-CB 3.78Å; E180-L193 PolarHBondContact OE1-N 2.99Å; E180-L193 WeakPolarHBondContact OE2-CB 3.5Å; E180-L193 PolarHBondContact OE2-N 3.17Å; L193-S195 PolarHBondContact O-N 3.17Å; L193-S195 VanDerWaalsContact O-N 3.08Å; L193-S196 PolarHBondContact O-N 3.5Å; L193-S196 VanDerWaalsContact O-N 3.1Å; L193-S196 PolarHBondContact O-OG 3.19Å
194G97.2Very high96.9Very high0 Ų045 Ų450%026%0.258CS..G310 helixtrans-60.4-17.5176.600000114.4Y175 E180 G189 G192 S196 L197Y175-G194 VanDerWaalsContact OH-CA 3.32Å; Y175-G194 WeakPolarHBondContact OH-CA 3.42Å; Y175-G194 PolarHBondContact OH-N 3.48Å; E180-G194 PolarHBondContact OE1-N 3.32Å; G189-G194 CarbonylContact O-C 3.54Å; G189-G194 WeakPolarHBondContact O-CA 3.44Å; G189-G194 PolarHBondContact O-N 3.08Å; G192-G194 PolarHBondContact O-N 2.88Å; G194-S196 PolarHBondContact O-N 3.25Å; G194-L197 WeakPolarHBondContact O-CB 3.49Å; G194-L197 PolarHBondContact O-N 3.46Å
195S96.9Very high97.1Very high65 Ų6548.1 Ų48.146%0.45527%0.27SS..G310 helixtrans-60.1-28.317479.40000112.5G189 I190 G192 L193 L197G189-S195 PolarHBondContact O-N 3.07Å; I190-S195 VanDerWaalsContact O-CB 3.26Å; I190-S195 WeakPolarHBondContact O-CB 3.43Å; G192-S195 VanDerWaalsContact O-CB 3.29Å; G192-S195 WeakPolarHBondContact O-CB 3.5Å; G192-S195 PolarHBondContact O-N 3.24Å; G192-S195 PolarHBondContact O-OG 2.94Å; G192-S195 VanDerWaalsContact O-OG 3.09Å; L193-S195 PolarHBondContact O-N 3.17Å; L193-S195 VanDerWaalsContact O-N 3.08Å; S195-L197 PolarHBondContact O-N 3.2Å
196S97.1Very high97.3Very high88 Ų8851 Ų5162%0.61528%0.278SS*.G310 helixtrans-75.9-6.9178.271.50000113.8L193 G194L193-S196 PolarHBondContact O-N 3.5Å; L193-S196 VanDerWaalsContact O-N 3.1Å; L193-S196 PolarHBondContact O-OG 3.19Å; G194-S196 PolarHBondContact O-N 3.25Å
197L98.3Very high97.4Very high9 Ų951 Ų515%0.04728%0.278CS..G310 helixtrans-95.7-12.6179.9-47-178.8000112.3M164 I165 L167 Y175 G194 S195M164-L197 WeakPolarHBondContact CA-O 3.41Å; M164-L197 VanDerWaalsContact CG-O 3.31Å; M164-L197 WeakPolarHBondContact CG-O 3.43Å; I165-L197 PolarHBondContact N-O 3.31Å; L167-L197 HydrophobicContact CD1-CD1 4.48Å; L167-L197 HydrophobicContact CD2-CB 4.33Å; L167-L197 HydrophobicContact CD2-CD2 3.72Å; Y175-L197 HydrophobicContact CD1-CD1 3.41Å; Y175-L197 VanDerWaalsContact CD1-CD1 3.41Å; Y175-L197 HydrophobicContact CD2-CD1 4.33Å; Y175-L197 HydrophobicContact CE1-CD1 3.47Å; Y175-L197 VanDerWaalsContact CE1-CD1 3.47Å; Y175-L197 HydrophobicContact CE2-CD1 4.43Å; Y175-L197 HydrophobicContact CG-CD1 3.86Å; G194-L197 WeakPolarHBondContact O-CB 3.49Å; G194-L197 PolarHBondContact O-N 3.46Å; S195-L197 PolarHBondContact O-N 3.2Å
198I98.4Very high97.4Very high23 Ų2351.7 Ų51.712%0.11828%0.282CS..EExtended strand (participates in β ladder)trans-104.6121.7-171.9-57.1-48.1000109.8V162 M164 Y188 I190 I201V162-I198 HydrophobicContact CG1-CD1 3.69Å; V162-I198 HydrophobicContact CG1-CG1 4.15Å; V162-I198 HydrophobicContact CG1-CG2 3.63Å; M164-I198 HydrophobicContact CB-CD1 4.37Å; M164-I198 HydrophobicContact CE-CD1 4.06Å; M164-I198 HydrophobicContact CG-CD1 4.36Å; Y188-I198 HydrophobicContact CD2-CD1 4.04Å; Y188-I198 HydrophobicContact CD2-CG1 4.26Å; Y188-I198 HydrophobicContact CE2-CD1 3.78Å; Y188-I198 HydrophobicContact CE2-CG1 4.03Å; I190-I198 HydrophobicContact CD1-CB 3.75Å; I190-I198 HydrophobicContact CD1-CG1 3.58Å; I190-I198 HydrophobicContact CD1-CG2 3.94Å; I198-I201 HydrophobicContact CG2-CG1 3.99Å
199E98.2Very high97.4Very high114 Ų11451.7 Ų51.753%0.53328%0.283SS..EExtended strand (participates in β ladder)trans-78.3-45.9178.5-167-172.814100111.2K163 I165K163-E199 HydrophobicContact CB-CB 4.3Å; K163-E199 VanDerWaalsContact CE-OE2 3.3Å; K163-E199 WeakPolarHBondContact CE-OE2 3.27Å; K163-E199 HydrophobicContact CG-CB 3.75Å; K163-E199 HydrophobicContact CG-CG 4.41Å; K163-E199 WeakPolarHBondContact CG-OE2 3.28Å; K163-E199 PolarHBondContact O-N 2.63Å; I165-E199 HydrophobicContact CG2-CB 3.83Å; I165-E199 HydrophobicContact CG2-CG 4.4Å
200R98.2Very high97.5Very high128 Ų12851.4 Ų51.448%0.48328%0.281SS..EExtended strand (participates in β ladder)trans-157.5161.1179.666170.7-165.9-126.30.9112.8K163 D202K163-R200 HydrophobicContact CB-CG 3.57Å; K163-R200 HydrophobicContact CG-CG 4.24Å; K163-R200 PolarHBondContact N-O 3.04Å; R200-D202 IonicContact CZ-OD2 3.48Å; R200-D202 IonicContact NE-OD1 3.38Å; R200-D202 IonicContact NE-OD2 2.79Å; R200-D202 PolarHBondContact NE-OD2 3.12Å; R200-D202 IonicContact NH2-OD2 3.76Å
201I98.6Very high97.6Very high49 Ų4950.5 Ų50.525%0.25128%0.276SS..EExtended strand (participates in β ladder)trans-125.5123.3175.2-60174.2000107.7T160 V162 I190 I198 Y205 V208T160-I201 HydrophobicContact CG2-CG2 3.41Å; T160-I201 VanDerWaalsContact CG2-CG2 3.41Å; V162-I201 HydrophobicContact CG2-CG1 4.44Å; I190-I201 HydrophobicContact CD1-CD1 3.9Å; I190-I201 HydrophobicContact CG1-CD1 3.99Å; I198-I201 HydrophobicContact CG2-CG1 3.99Å; I201-Y205 HydrophobicContact CD1-CD2 3.91Å; I201-V208 HydrophobicContact CG2-CG2 4.08Å
202D98.5Very high97.8Very high79 Ų7946.7 Ų46.742%0.42226%0.258SS..EExtended strand (participates in β ladder)trans-108.984.5175.7-61.7-52.3000108N161 R200N161-D202 HydrophobicContact CB-CB 4.18Å; N161-D202 PolarHBondContact N-O 3.07Å; N161-D202 VanDerWaalsContact N-O 3.13Å; N161-D202 PolarHBondContact O-N 2.85Å; R200-D202 IonicContact CZ-OD2 3.48Å; R200-D202 IonicContact NE-OD1 3.38Å; R200-D202 IonicContact NE-OD2 2.79Å; R200-D202 PolarHBondContact NE-OD2 3.12Å; R200-D202 IonicContact NH2-OD2 3.76Å
203G98Very high97.9Very high56 Ų5645.8 Ų45.858%0.57725%0.247SC*.SBendtrans146.9-149.4-179.300000114.3
204D98.2Very high97.8Very high32 Ų3244.3 Ų44.317%0.17125%0.245CC..  trans-83.5112.8-176.1-177.6-6.6000111.4E158 T160 F206 N207 V208 P212E158-D204 HydrophobicContact CG-CB 4.05Å; T160-D204 PolarHBondContact OG1-N 3.35Å; T160-D204 PolarHBondContact OG1-O 3.26Å; D204-F206 VanDerWaalsContact C-N 3.32Å; D204-F206 PolarHBondContact O-N 3.44Å; D204-F206 WeakPolarHBondContact OD1-CA 3.35Å; D204-F206 WeakPolarHBondContact OD1-CB 3.47Å; D204-F206 PolarHBondContact OD1-N 3.08Å; D204-N207 HydrophobicContact CB-CB 3.72Å; D204-N207 VanDerWaalsContact O-CB 3.28Å; D204-N207 WeakPolarHBondContact O-CB 3.45Å; D204-N207 PolarHBondContact O-N 2.94Å; D204-N207 PolarHBondContact OD1-N 3.05Å; D204-V208 PolarHBondContact O-N 3.41Å; D204-P212 VanDerWaalsContact OD2-CA 3.3Å; D204-P212 WeakPolarHBondContact OD2-CA 3.47Å; D204-P212 WeakPolarHBondContact OD2-CB 3.4Å
205Y98.3Very high97.8Very high95 Ų9548.6 Ų48.637%0.37326%0.261SS..Hα-helixtrans-56.9-42174.4171.1-98.2000112.8I190 I201 N207 V208 V209I190-Y205 HydrophobicContact CG1-CD2 4.4Å; I190-Y205 HydrophobicContact CG1-CE2 3.79Å; I190-Y205 HydrophobicContact CG2-CE2 3.94Å; I201-Y205 HydrophobicContact CD1-CD2 3.91Å; Y205-N207 VanDerWaalsContact C-N 3.28Å; Y205-N207 PolarHBondContact O-N 3.24Å; Y205-V208 WeakPolarHBondContact O-CA 3.23Å; Y205-V208 WeakPolarHBondContact O-CB 2.9Å; Y205-V208 PolarHBondContact O-N 3.36Å; Y205-V209 HydrophobicContact CD1-CG2 4.16Å; Y205-V209 HydrophobicContact CE1-CG2 3.65Å; Y205-V209 HydrophobicContact CE2-CG2 4.3Å; Y205-V209 WeakPolarHBondContact O-CG2 3.24Å; Y205-V209 PolarHBondContact O-N 3.29Å
206F98.2Very high97.8Very high83 Ų8345.5 Ų45.536%0.36424%0.239SC..Hα-helixtrans-71.2-27.5-178.9-68.2-74.6000111.8I44 D204 V208 V209 G210 L211 V213I44-F206 HydrophobicContact CD1-CD1 4.16Å; I44-F206 HydrophobicContact CG1-CD1 4.04Å; I44-F206 HydrophobicContact CG2-CD1 4.44Å; D204-F206 VanDerWaalsContact C-N 3.32Å; D204-F206 PolarHBondContact O-N 3.44Å; D204-F206 WeakPolarHBondContact OD1-CA 3.35Å; D204-F206 WeakPolarHBondContact OD1-CB 3.47Å; D204-F206 PolarHBondContact OD1-N 3.08Å; F206-V208 VanDerWaalsContact C-N 3.34Å; F206-V209 PolarHBondContact O-N 3.25Å; F206-G210 PolarHBondContact O-N 3.12Å; F206-L211 CarbonylContact C-O 3.46Å; F206-L211 VanDerWaalsContact C-O 3.26Å; F206-L211 VanDerWaalsContact CB-O 3.28Å; F206-L211 WeakPolarHBondContact CB-O 3.47Å; F206-L211 CarbonylContact O-C 3.2Å; F206-L211 VanDerWaalsContact O-C 3.3Å; F206-L211 PolarHBondContact O-N 3.17Å; F206-V213 HydrophobicContact CB-CB 4.35Å; F206-V213 HydrophobicContact CB-CG1 3.85Å; F206-V213 HydrophobicContact CD1-CG1 4.23Å; F206-V213 HydrophobicContact CD2-CG1 3.53Å; F206-V213 HydrophobicContact CE2-CG1 4.08Å; F206-V213 HydrophobicContact CG-CB 4.48Å; F206-V213 HydrophobicContact CG-CG1 3.61Å
207N98.4Very high97.8Very high0 Ų041.6 Ų41.60%021%0.211CC..Hα-helixtrans-59.7-44.6166.5176.649.8000111.4V136 T138 E158 T160 D204 Y205 V209 G210 P212V136-N207 PolarHBondContact O-ND2 3.34Å; T138-N207 WeakPolarHBondContact CB-OD1 3.12Å; T138-N207 PolarHBondContact N-OD1 2.64Å; T138-N207 PolarHBondContact OG1-O 2.64Å; T138-N207 VanDerWaalsContact OG1-O 3.12Å; T138-N207 PolarHBondContact OG1-OD1 2.94Å; E158-N207 HydrophobicContact CB-CB 4.11Å; E158-N207 HydrophobicContact CG-CB 3.78Å; E158-N207 PolarHBondContact O-ND2 2.81Å; E158-N207 PolarHBondContact O-OD1 3.26Å; T160-N207 WeakPolarHBondContact CB-ND2 3.48Å; T160-N207 PolarHBondContact N-ND2 3.12Å; T160-N207 PolarHBondContact OG1-ND2 2.86Å; D204-N207 HydrophobicContact CB-CB 3.72Å; D204-N207 VanDerWaalsContact O-CB 3.28Å; D204-N207 WeakPolarHBondContact O-CB 3.45Å; D204-N207 PolarHBondContact O-N 2.94Å; D204-N207 PolarHBondContact OD1-N 3.05Å; Y205-N207 VanDerWaalsContact C-N 3.28Å; Y205-N207 PolarHBondContact O-N 3.24Å; N207-V209 VanDerWaalsContact C-N 3.29Å; N207-V209 PolarHBondContact O-N 3.14Å; N207-G210 VanDerWaalsContact O-CA 3.32Å; N207-G210 WeakPolarHBondContact O-CA 3.45Å; N207-G210 PolarHBondContact O-N 2.9Å; N207-P212 HydrophobicContact CB-CB 4.1Å
208V98Very high97.6Very high14 Ų1447 Ų479%0.08524%0.235CC..Hα-helixtrans-62-37.4176.4-179.50000111.7V136 T160 V162 I190 I201 D204 Y205 F206 G210V136-V208 HydrophobicContact CB-CG2 4.32Å; V136-V208 HydrophobicContact CG2-CG1 4.29Å; V136-V208 HydrophobicContact CG2-CG2 4.36Å; T160-V208 HydrophobicContact CG2-CG2 3.48Å; T160-V208 VanDerWaalsContact CG2-CG2 3.48Å; V162-V208 HydrophobicContact CG2-CG1 4.26Å; V162-V208 HydrophobicContact CG2-CG2 3.7Å; I190-V208 HydrophobicContact CB-CG1 4.07Å; I190-V208 HydrophobicContact CG1-CG1 4.47Å; I190-V208 HydrophobicContact CG2-CG1 3.9Å; I201-V208 HydrophobicContact CG2-CG2 4.08Å; D204-V208 PolarHBondContact O-N 3.41Å; Y205-V208 WeakPolarHBondContact O-CA 3.23Å; Y205-V208 WeakPolarHBondContact O-CB 2.9Å; Y205-V208 PolarHBondContact O-N 3.36Å; F206-V208 VanDerWaalsContact C-N 3.34Å; V208-G210 PolarHBondContact O-N 3.24Å
209V97.6Very high97.6Very high11 Ų1149 Ų497%0.06724%0.241CC..Hα-helixtrans-67.1-28.5173.6-178.20000112.1R40 I44 I190 Q191 Y205 F206 N207R40-V209 HydrophobicContact CB-CG1 4.01Å; I44-V209 HydrophobicContact CD1-CB 3.96Å; I44-V209 HydrophobicContact CD1-CG1 3.63Å; I44-V209 HydrophobicContact CG1-CG1 4.39Å; I190-V209 HydrophobicContact CG2-CG2 3.75Å; Q191-V209 VanDerWaalsContact CD-CG1 3.42Å; Q191-V209 HydrophobicContact CG-CG1 4.07Å; Q191-V209 HydrophobicContact CG-CG2 3.91Å; Y205-V209 HydrophobicContact CD1-CG2 4.16Å; Y205-V209 HydrophobicContact CE1-CG2 3.65Å; Y205-V209 HydrophobicContact CE2-CG2 4.3Å; Y205-V209 WeakPolarHBondContact O-CG2 3.24Å; Y205-V209 PolarHBondContact O-N 3.29Å; F206-V209 PolarHBondContact O-N 3.25Å; N207-V209 VanDerWaalsContact C-N 3.29Å; N207-V209 PolarHBondContact O-N 3.14Å
210G96.6Very high97.4Very high2 Ų243.5 Ų43.52%0.02122%0.216CC..THydrogen-bonded Turntrans123.514.917100000115.5R41 T104 F206 N207 V208R41-G210 PolarHBondContact NE-O 3.45Å; T104-G210 VanDerWaalsContact OG1-CA 3.25Å; T104-G210 WeakPolarHBondContact OG1-CA 3.43Å; T104-G210 PolarHBondContact OG1-O 2.98Å; F206-G210 PolarHBondContact O-N 3.12Å; N207-G210 VanDerWaalsContact O-CA 3.32Å; N207-G210 WeakPolarHBondContact O-CA 3.45Å; N207-G210 PolarHBondContact O-N 2.9Å; V208-G210 PolarHBondContact O-N 3.24Å
211L98.2Very high97.1Very high0 Ų040.6 Ų40.60%021%0.206CC..  trans-153107.7171.7-171.563.5000111.1R41 I44 L45 A102 V140 F206 V213 L216R41-L211 HydrophobicContact CB-CD2 4.5Å; R41-L211 HydrophobicContact CG-CB 4.27Å; I44-L211 HydrophobicContact CB-CD2 4.36Å; I44-L211 HydrophobicContact CD1-CB 3.86Å; I44-L211 HydrophobicContact CG2-CB 4.34Å; I44-L211 HydrophobicContact CG2-CD2 3.96Å; I44-L211 HydrophobicContact CG2-CG 4.45Å; L45-L211 HydrophobicContact CD2-CD2 3.74Å; L45-L211 HydrophobicContact CG-CD2 3.85Å; A102-L211 HydrophobicContact CB-CD1 3.82Å; V140-L211 HydrophobicContact CG2-CD1 4.35Å; F206-L211 CarbonylContact C-O 3.46Å; F206-L211 VanDerWaalsContact C-O 3.26Å; F206-L211 VanDerWaalsContact CB-O 3.28Å; F206-L211 WeakPolarHBondContact CB-O 3.47Å; F206-L211 CarbonylContact O-C 3.2Å; F206-L211 VanDerWaalsContact O-C 3.3Å; F206-L211 PolarHBondContact O-N 3.17Å; L211-V213 VanDerWaalsContact C-N 3.27Å; L211-V213 PolarHBondContact O-N 3.4Å; L211-L216 HydrophobicContact CD1-CD2 4.09Å; L211-L216 HydrophobicContact CD2-CD2 3.9Å; L211-L216 HydrophobicContact CG-CD2 4.1Å
212P98.2Very high96.9Very high0 Ų040.5 Ų40.50%021%0.213CC..  trans-68.580.2178.628.7-37.1000111.9V140 F156 E158 D204 N207 C214 R215 L216V140-P212 HydrophobicContact CG2-CG 3.75Å; F156-P212 HydrophobicContact CE2-CG 3.88Å; E158-P212 HydrophobicContact CB-CB 3.57Å; E158-P212 HydrophobicContact CB-CG 3.81Å; E158-P212 HydrophobicContact CG-CB 3.9Å; D204-P212 VanDerWaalsContact OD2-CA 3.3Å; D204-P212 WeakPolarHBondContact OD2-CA 3.47Å; D204-P212 WeakPolarHBondContact OD2-CB 3.4Å; N207-P212 HydrophobicContact CB-CB 4.1Å; P212-C214 PolarHBondContact O-N 3.16Å; P212-R215 HydrophobicContact CB-CB 4.31Å; P212-R215 PolarHBondContact O-N 3.37Å; P212-L216 WeakPolarHBondContact O-CB 3.48Å; P212-L216 PolarHBondContact O-N 2.8Å
213V96.9Very high96.6Very high11 Ų1136.7 Ų36.77%0.06719%0.193CC..Hα-helixtrans-65.7-37-162.270.10000113.4I44 I48 F206 L211 L216 C217I44-V213 HydrophobicContact CG2-CB 3.6Å; I44-V213 HydrophobicContact CG2-CG1 4.34Å; I44-V213 HydrophobicContact CG2-CG2 3.58Å; I48-V213 HydrophobicContact CD1-CG2 3.96Å; I48-V213 HydrophobicContact CG2-CG2 3.65Å; F206-V213 HydrophobicContact CB-CB 4.35Å; F206-V213 HydrophobicContact CB-CG1 3.85Å; F206-V213 HydrophobicContact CD1-CG1 4.23Å; F206-V213 HydrophobicContact CD2-CG1 3.53Å; F206-V213 HydrophobicContact CE2-CG1 4.08Å; F206-V213 HydrophobicContact CG-CB 4.48Å; F206-V213 HydrophobicContact CG-CG1 3.61Å; L211-V213 VanDerWaalsContact C-N 3.27Å; L211-V213 PolarHBondContact O-N 3.4Å; V213-L216 PolarHBondContact O-N 2.84Å; V213-C217 WeakPolarHBondContact O-CB 3.42Å; V213-C217 PolarHBondContact O-N 3.4Å; V213-C217 PolarHBondContact O-SG 2.88Å
214C95.9Very high96.3Very high72 Ų7234 Ų3449%0.48617%0.165SC..Hα-helixtrans-63.8-46.1177.4-179.90000110.3P212 C217 K218P212-C214 PolarHBondContact O-N 3.16Å; C214-C217 PolarHBondContact O-N 3.08Å; C214-K218 PolarHBondContact O-N 3.17Å; C214-K218 VanDerWaalsContact O-N 3.16Å
215R97.2Very high96Very high90 Ų9036.9 Ų36.934%0.3418%0.177SC..Hα-helixtrans-65.9-45.3177.9-165166-176.5163.7-3.4111.1F156 H157 E158 P212 C217 K218 Y219F156-R215 HydrophobicContact CD2-CG 3.82Å; F156-R215 HydrophobicContact CE2-CB 3.93Å; F156-R215 HydrophobicContact CE2-CG 3.59Å; F156-R215 HydrophobicContact CZ-CB 4.49Å; F156-R215 HydrophobicContact CZ-CG 4.25Å; H157-R215 PolarHBondContact O-NH1 2.88Å; H157-R215 VanDerWaalsContact O-NH1 3.12Å; E158-R215 WeakPolarHBondContact OE2-CD 3.27Å; E158-R215 IonicContact OE2-CZ 3.49Å; E158-R215 IonicContact OE2-NE 3.81Å; E158-R215 IonicContact OE2-NH1 3.2Å; E158-R215 PolarHBondContact OE2-NH1 2.89Å; P212-R215 HydrophobicContact CB-CB 4.31Å; P212-R215 PolarHBondContact O-N 3.37Å; R215-C217 VanDerWaalsContact C-N 3.3Å; R215-C217 PolarHBondContact O-N 2.94Å; R215-K218 WeakPolarHBondContact O-CB 3.44Å; R215-K218 PolarHBondContact O-N 3.25Å; R215-Y219 HydrophobicContact CG-CD2 4.17Å; R215-Y219 HydrophobicContact CG-CE2 3.98Å; R215-Y219 WeakPolarHBondContact O-CD2 3.43Å; R215-Y219 PolarHBondContact O-N 3.42Å; R215-Y219 VanDerWaalsContact O-N 3.13Å
216L97.6Very high95.6Very high0 Ų035.4 Ų35.40%017%0.174CC..Hα-helixtrans-52.6-48172.9173.964.4000111.9L45 I100 V140 L142 F156 L211 P212 V213 K218 Y219 L220L45-L216 HydrophobicContact CD2-CD2 3.6Å; I100-L216 HydrophobicContact CD1-CD1 4.44Å; I100-L216 HydrophobicContact CG2-CD1 3.86Å; I100-L216 HydrophobicContact CG2-CD2 4.29Å; V140-L216 HydrophobicContact CG1-CD1 4.19Å; L142-L216 HydrophobicContact CD1-CD1 3.8Å; L142-L216 HydrophobicContact CD2-CD1 3.83Å; L142-L216 HydrophobicContact CG-CD1 4.07Å; F156-L216 HydrophobicContact CZ-CB 4.32Å; L211-L216 HydrophobicContact CD1-CD2 4.09Å; L211-L216 HydrophobicContact CD2-CD2 3.9Å; L211-L216 HydrophobicContact CG-CD2 4.1Å; P212-L216 WeakPolarHBondContact O-CB 3.48Å; P212-L216 PolarHBondContact O-N 2.8Å; V213-L216 PolarHBondContact O-N 2.84Å; L216-K218 VanDerWaalsContact C-N 3.26Å; L216-K218 PolarHBondContact O-N 2.86Å; L216-Y219 PolarHBondContact O-N 2.78Å; L216-Y219 VanDerWaalsContact O-N 3.16Å; L216-L220 HydrophobicContact CD1-CD1 4.3Å; L216-L220 HydrophobicContact CD1-CG 4.24Å; L216-L220 HydrophobicContact CG-CD1 4.01Å; L216-L220 HydrophobicContact CG-CG 4.39Å; L216-L220 PolarHBondContact O-N 3.18Å
217C95.7Very high95.1Very high5 Ų531.9 Ų31.93%0.03416%0.159CC..Hα-helixtrans-64.1-31.8-179.5-67.40000111.9M19 L20 I48 V213 C214 R215 L220 K221M19-C217 HydrophobicContact CE-CB 3Å; L20-C217 HydrophobicContact CD1-CB 4.23Å; L20-C217 HydrophobicContact CG-CB 4.25Å; I48-C217 VanDerWaalsContact CD1-SG 3.5Å; V213-C217 WeakPolarHBondContact O-CB 3.42Å; V213-C217 PolarHBondContact O-N 3.4Å; V213-C217 PolarHBondContact O-SG 2.88Å; C214-C217 PolarHBondContact O-N 3.08Å; R215-C217 VanDerWaalsContact C-N 3.3Å; R215-C217 PolarHBondContact O-N 2.94Å; C217-L220 PolarHBondContact O-N 3.5Å; C217-K221 WeakPolarHBondContact O-CB 3.47Å; C217-K221 PolarHBondContact O-N 3.35Å
218K95.6Very high94.2Very high124 Ų12434 Ų3454%0.53917%0.171SC..Hα-helixtrans-65.3-42.7174.2-69.2175.5-177.8176.30111.2M19 C214 R215 L216 K221 A222M19-K218 HydrophobicContact CE-CB 4.43Å; M19-K218 HydrophobicContact CE-CG 3.81Å; M19-K218 HydrophobicContact SD-CG 3.73Å; C214-K218 PolarHBondContact O-N 3.17Å; C214-K218 VanDerWaalsContact O-N 3.16Å; R215-K218 WeakPolarHBondContact O-CB 3.44Å; R215-K218 PolarHBondContact O-N 3.25Å; L216-K218 VanDerWaalsContact C-N 3.26Å; L216-K218 PolarHBondContact O-N 2.86Å; K218-K221 PolarHBondContact O-N 3.1Å; K218-A222 WeakPolarHBondContact O-CB 3.47Å; K218-A222 PolarHBondContact O-N 3.35Å
219Y96.5Very high93.2Very high63 Ų6336 Ų3625%0.24719%0.187CC..Hα-helixtrans-66.5-42.6175.2-83.2-86.9000112.3D154 F156 R215 L216 K221 A222 G223D154-Y219 HydrophobicContact CB-CD1 3.62Å; D154-Y219 HydrophobicContact CB-CE1 4.04Å; F156-Y219 HydrophobicContact CB-CE2 3.88Å; F156-Y219 WeakPolarHBondContact CB-OH 3.38Å; F156-Y219 HydrophobicContact CD1-CD1 4.08Å; F156-Y219 AromaticContact CD1-CD2 3.39Å; F156-Y219 HydrophobicContact CD1-CD2 3.39Å; F156-Y219 AromaticContact CD1-CE1 3.97Å; F156-Y219 HydrophobicContact CD1-CE1 3.97Å; F156-Y219 AromaticContact CD1-CE2 3.29Å; F156-Y219 HydrophobicContact CD1-CE2 3.29Å; F156-Y219 AromaticContact CD1-CG 3.8Å; F156-Y219 HydrophobicContact CD1-CG 3.8Å; F156-Y219 AromaticContact CD1-CZ 3.58Å; F156-Y219 HydrophobicContact CD2-CD2 4.43Å; F156-Y219 HydrophobicContact CD2-CE2 4.03Å; F156-Y219 HydrophobicContact CE1-CD1 4.34Å; F156-Y219 AromaticContact CE1-CD2 3.31Å; F156-Y219 HydrophobicContact CE1-CD2 3.31Å; F156-Y219 AromaticContact CE1-CE2 3.73Å; F156-Y219 HydrophobicContact CE1-CE2 3.73Å; F156-Y219 AromaticContact CE1-CG 3.66Å; F156-Y219 HydrophobicContact CE1-CG 3.66Å; F156-Y219 HydrophobicContact CE2-CD2 4.38Å; F156-Y219 HydrophobicContact CE2-CE2 4.4Å; F156-Y219 AromaticContact CG-CD2 3.97Å; F156-Y219 HydrophobicContact CG-CD2 3.97Å; F156-Y219 AromaticContact CG-CE2 3.46Å; F156-Y219 HydrophobicContact CG-CE2 3.46Å; F156-Y219 VanDerWaalsContact CG-CE2 3.46Å; F156-Y219 AromaticContact CG-CZ 3.79Å; F156-Y219 AromaticContact CZ-CD2 3.85Å; F156-Y219 HydrophobicContact CZ-CD2 3.85Å; F156-Y219 HydrophobicContact CZ-CE2 4.27Å; R215-Y219 HydrophobicContact CG-CD2 4.17Å; R215-Y219 HydrophobicContact CG-CE2 3.98Å; R215-Y219 WeakPolarHBondContact O-CD2 3.43Å; R215-Y219 PolarHBondContact O-N 3.42Å; R215-Y219 VanDerWaalsContact O-N 3.13Å; L216-Y219 PolarHBondContact O-N 2.78Å; L216-Y219 VanDerWaalsContact O-N 3.16Å; Y219-K221 VanDerWaalsContact C-N 3.32Å; Y219-K221 PolarHBondContact O-N 3.2Å; Y219-A222 PolarHBondContact O-N 2.93Å; Y219-G223 PolarHBondContact O-N 3.31Å
220L94.9Very high92.1Very high0 Ų040 Ų400%020%0.203CC..Hα-helixtrans-57.7-46.2173.9-77.2171.3000111.4L20 L50 V98 I100 L142 W144 L216 C217 C224L20-L220 HydrophobicContact CD1-CD1 4.28Å; L20-L220 HydrophobicContact CD2-CB 4.02Å; L50-L220 HydrophobicContact CD2-CD1 4.14Å; V98-L220 HydrophobicContact CG1-CD2 4.44Å; V98-L220 HydrophobicContact CG2-CD2 4.17Å; I100-L220 HydrophobicContact CD1-CD1 4.27Å; I100-L220 HydrophobicContact CD1-CD2 4.03Å; L142-L220 HydrophobicContact CD2-CD2 3.57Å; L142-L220 HydrophobicContact CD2-CG 3.88Å; W144-L220 HydrophobicContact CH2-CD2 4.15Å; W144-L220 WeakPolarHBondContact CH2-O 3.3Å; W144-L220 HydrophobicContact CZ2-CD2 4.2Å; L216-L220 HydrophobicContact CD1-CD1 4.3Å; L216-L220 HydrophobicContact CD1-CG 4.24Å; L216-L220 HydrophobicContact CG-CD1 4.01Å; L216-L220 HydrophobicContact CG-CG 4.39Å; L216-L220 PolarHBondContact O-N 3.18Å; C217-L220 PolarHBondContact O-N 3.5Å; L220-C224 WeakPolarHBondContact O-CB 3.49Å; L220-C224 PolarHBondContact O-N 3.02Å
221K92.9Very high90.7Very high66 Ų6643 Ų4329%0.28722%0.224SC..Hα-helixtrans-59.6-56177-179176.5179174.20111.6M19 L20 L23 C217 K218 Y219 G223 C224 E225M19-K221 HydrophobicContact CG-CD 4.06Å; L20-K221 HydrophobicContact CD2-CB 4.1Å; L23-K221 HydrophobicContact CD1-CB 4.02Å; L23-K221 HydrophobicContact CD1-CG 3.76Å; C217-K221 WeakPolarHBondContact O-CB 3.47Å; C217-K221 PolarHBondContact O-N 3.35Å; K218-K221 PolarHBondContact O-N 3.1Å; Y219-K221 VanDerWaalsContact C-N 3.32Å; Y219-K221 PolarHBondContact O-N 3.2Å; K221-G223 PolarHBondContact O-N 3.44Å; K221-C224 PolarHBondContact O-N 3.2Å; K221-E225 WeakPolarHBondContact CE-OE1 3.29Å; K221-E225 IonicContact NZ-OE1 3.83Å; K221-E225 WeakPolarHBondContact O-CG 3.34Å; K221-E225 PolarHBondContact O-N 3.49Å
222A93.2Very high88.9Confident47 Ų4747.3 Ų47.339%0.38825%0.254SS..Hα-helixtrans-63.1-40.1-176.600000112.7K218 Y219 E226K218-A222 WeakPolarHBondContact O-CB 3.47Å; K218-A222 PolarHBondContact O-N 3.35Å; Y219-A222 PolarHBondContact O-N 2.93Å; A222-E226 WeakPolarHBondContact O-CB 3.2Å; A222-E226 PolarHBondContact O-N 3.47Å; A222-E226 VanDerWaalsContact O-N 3.08Å
223G93.5Very high86.9Confident0 Ų054.2 Ų54.20%029%0.291CS..Hα-helixtrans-66.4-41.9176.900000112.6Y219 K221 E226 I227Y219-G223 PolarHBondContact O-N 3.31Å; K221-G223 PolarHBondContact O-N 3.44Å; G223-E226 PolarHBondContact O-N 2.98Å; G223-I227 WeakPolarHBondContact O-CB 3.34Å; G223-I227 WeakPolarHBondContact O-CD1 3.43Å; G223-I227 VanDerWaalsContact O-CG1 3.27Å; G223-I227 WeakPolarHBondContact O-CG1 3.43Å; G223-I227 PolarHBondContact O-N 2.69Å
224C91.7Very high84.8Confident0 Ų062 Ų620%034%0.338CS..Hα-helixtrans-64-48176.5-1730000111.7L23 D26 L27 W144 L220 K221 E226 I227 V228L23-C224 HydrophobicContact CD1-CB 3.9Å; D26-C224 VanDerWaalsContact CB-SG 3.58Å; L27-C224 HydrophobicContact CD2-CB 4.31Å; W144-C224 HydrophobicContact CH2-CB 3.94Å; W144-C224 HydrophobicContact CZ3-CB 4.3Å; L220-C224 WeakPolarHBondContact O-CB 3.49Å; L220-C224 PolarHBondContact O-N 3.02Å; K221-C224 PolarHBondContact O-N 3.2Å; C224-E226 VanDerWaalsContact C-N 3.31Å; C224-E226 PolarHBondContact O-N 3.24Å; C224-I227 PolarHBondContact O-N 3.18Å; C224-I227 VanDerWaalsContact O-N 3.17Å; C224-V228 VanDerWaalsContact O-CG2 3.28Å; C224-V228 WeakPolarHBondContact O-CG2 3.43Å; C224-V228 PolarHBondContact O-N 3.16Å
225E90.6Very high84.3Confident91 Ų9161.5 Ų61.543%0.42533%0.331SS..Hα-helixtrans-59.4-40.1177.2-71.8172.5166.300112.2L23 K221 S229L23-E225 HydrophobicContact CD2-CG 3.98Å; K221-E225 WeakPolarHBondContact CE-OE1 3.29Å; K221-E225 IonicContact NZ-OE1 3.83Å; K221-E225 WeakPolarHBondContact O-CG 3.34Å; K221-E225 PolarHBondContact O-N 3.49Å; E225-S229 WeakPolarHBondContact O-CB 3.4Å; E225-S229 PolarHBondContact O-N 2.83Å; E225-S229 VanDerWaalsContact O-N 3.12Å; E225-S229 PolarHBondContact O-OG 3.14Å
226E90.1Very high83.6Confident65 Ų6559.9 Ų59.930%0.30433%0.33SS..Hα-helixtrans-65.8-39.8176.2-170.5-173.1140.400112.5K152 A222 G223 C224 S229 K230K152-E226 IonicContact NZ-OE2 2.8Å; K152-E226 PolarHBondContact NZ-OE2 3.47Å; A222-E226 WeakPolarHBondContact O-CB 3.2Å; A222-E226 PolarHBondContact O-N 3.47Å; A222-E226 VanDerWaalsContact O-N 3.08Å; G223-E226 PolarHBondContact O-N 2.98Å; C224-E226 VanDerWaalsContact C-N 3.31Å; C224-E226 PolarHBondContact O-N 3.24Å; E226-S229 WeakPolarHBondContact CA-OG 3.15Å; E226-S229 PolarHBondContact O-OG 3.25Å; E226-K230 HydrophobicContact CG-CD 4.47Å; E226-K230 WeakPolarHBondContact O-CG 3.38Å; E226-K230 PolarHBondContact O-N 3.15Å; E226-K230 IonicContact OE1-NZ 2.6Å; E226-K230 PolarHBondContact OE1-NZ 2.99Å
227I87.1Confident82.8Confident9 Ų963.3 Ų63.35%0.04635%0.349CS..Hα-helixtrans-72.2-45.3-178.5-74.4165000111.1W144 V146 G223 C224 S229 K230 S231W144-I227 HydrophobicContact CB-CD1 3.5Å; W144-I227 HydrophobicContact CD2-CD1 3.35Å; W144-I227 HydrophobicContact CE3-CD1 3.19Å; W144-I227 HydrophobicContact CG-CD1 3.53Å; W144-I227 HydrophobicContact CZ3-CD1 3.99Å; V146-I227 HydrophobicContact CG1-CG2 4.47Å; V146-I227 HydrophobicContact CG2-CD1 4.35Å; V146-I227 HydrophobicContact CG2-CG2 3.76Å; G223-I227 WeakPolarHBondContact O-CB 3.34Å; G223-I227 WeakPolarHBondContact O-CD1 3.43Å; G223-I227 VanDerWaalsContact O-CG1 3.27Å; G223-I227 WeakPolarHBondContact O-CG1 3.43Å; G223-I227 PolarHBondContact O-N 2.69Å; C224-I227 PolarHBondContact O-N 3.18Å; C224-I227 VanDerWaalsContact O-N 3.17Å; I227-S229 VanDerWaalsContact C-N 3.32Å; I227-S229 PolarHBondContact O-N 2.6Å; I227-K230 WeakPolarHBondContact O-CB 3.25Å; I227-K230 PolarHBondContact O-N 2.61Å; I227-S231 PolarHBondContact O-N 3.23Å; I227-S231 VanDerWaalsContact O-N 3.1Å; I227-S231 PolarHBondContact O-OG 2.91Å
228V80.4Confident82Confident43 Ų4366.7 Ų66.726%0.26137%0.367SS..Hα-helixtrans-63.6-40.2179.8173.10000111.1D26 C224 K230 S231 S232D26-V228 HydrophobicContact CB-CG2 3.76Å; C224-V228 VanDerWaalsContact O-CG2 3.28Å; C224-V228 WeakPolarHBondContact O-CG2 3.43Å; C224-V228 PolarHBondContact O-N 3.16Å; V228-K230 PolarHBondContact O-N 3.24Å; V228-S231 PolarHBondContact O-N 2.84Å; V228-S232 PolarHBondContact O-N 3.29Å; V228-S232 PolarHBondContact O-OG 3.49Å
229S76.7Confident81.2Confident58 Ų5863.1 Ų63.141%0.40636%0.356SS..Hα-helixtrans-66-34.6175.755.90000112.9E225 E226 I227 S232 N233E225-S229 WeakPolarHBondContact O-CB 3.4Å; E225-S229 PolarHBondContact O-N 2.83Å; E225-S229 VanDerWaalsContact O-N 3.12Å; E225-S229 PolarHBondContact O-OG 3.14Å; E226-S229 WeakPolarHBondContact CA-OG 3.15Å; E226-S229 PolarHBondContact O-OG 3.25Å; I227-S229 VanDerWaalsContact C-N 3.32Å; I227-S229 PolarHBondContact O-N 2.6Å; S229-S232 PolarHBondContact O-N 2.66Å; S229-N233 PolarHBondContact O-ND2 3Å
230K74.4Confident80.2Confident94 Ų9463.1 Ų63.141%0.40936%0.364SS..Hα-helixtrans-65.5-39.5173-77.7170174.5171.80112.4E226 I227 V228 S232E226-K230 HydrophobicContact CG-CD 4.47Å; E226-K230 WeakPolarHBondContact O-CG 3.38Å; E226-K230 PolarHBondContact O-N 3.15Å; E226-K230 IonicContact OE1-NZ 2.6Å; E226-K230 PolarHBondContact OE1-NZ 2.99Å; I227-K230 WeakPolarHBondContact O-CB 3.25Å; I227-K230 PolarHBondContact O-N 2.61Å; V228-K230 PolarHBondContact O-N 3.24Å; K230-S232 VanDerWaalsContact C-N 3.34Å; K230-S232 PolarHBondContact O-N 3.37Å
231S66.5Low79.1Confident66 Ų6667.6 Ų67.646%0.46239%0.39SS..Hα-helixtrans-71.4-23.9178.6-61.70000114.3I227 V228 T234I227-S231 PolarHBondContact O-N 3.23Å; I227-S231 VanDerWaalsContact O-N 3.1Å; I227-S231 PolarHBondContact O-OG 2.91Å; V228-S231 PolarHBondContact O-N 2.84Å; S231-T234 PolarHBondContact O-OG1 3.26Å
232S61.4Low78.1Confident90 Ų9067.8 Ų67.863%0.62940%0.397SS*.Hα-helixtrans-82.1-16179.7-56.40000113.8V228 S229 K230V228-S232 PolarHBondContact O-N 3.29Å; V228-S232 PolarHBondContact O-OG 3.49Å; S229-S232 PolarHBondContact O-N 2.66Å; K230-S232 VanDerWaalsContact C-N 3.34Å; K230-S232 PolarHBondContact O-N 3.37Å
233N56.9Low76.8Confident145 Ų14569.5 Ų69.578%0.77540%0.398SS*.  trans-101.34.1-176.3-74.8-28.5000113.9S229S229-N233 PolarHBondContact O-ND2 3Å
234T52.2Low75.3Confident173 Ų17375.8 Ų75.8100%1.06143%0.434SS*.  trans-109.80172.8410000110.3S231S231-T234 PolarHBondContact O-OG1 3.26Å

Retrieved 234 of 234 residues in 239.4 ms (Link to these results)

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