G4VQJ3_SCHMA Loading...

Adenine phosphoribosyltransferase

Catalyzes a salvage reaction resulting in the formation of AMP, that is energically less costly than de novo synthesis.

AlphaFold DB , UniProt , Accession G4VQJ3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 196 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
1M38.4Very low44Very low239 Ų239134.7 Ų134.7100%1.17779%0.788SS**  0110.70-122.3165.4170.300105.7E3M1-E3 PolarHBondContact O-N 3.18Å
2N38.3Very low45.9Very low168 Ų168125.8 Ų125.890%0.89874%0.738SS**  trans-77101178.7-84.7-9.3000108.3A4N2-A4 PolarHBondContact O-N 3Å
3E37.3Very low49.1Very low193 Ų193122.6 Ų122.690%0.90272%0.716SS**  trans-71.784.1161.2-72.3-172.2166.300108.3M1M1-E3 PolarHBondContact O-N 3.18Å
4A45Very low52.2Low86 Ų86119.6 Ų119.671%0.71169%0.687SS**  trans-123.356.2167.800000109.1N2N2-A4 PolarHBondContact O-N 3Å
5T42.6Very low54.9Low136 Ų136121.8 Ų121.883%0.83469%0.688SS**  trans-106.470.6158.259.30000107.3S7T5-S7 VanDerWaalsContact C-N 3.26Å; T5-S7 PolarHBondContact O-N 3.48Å
6G40.4Very low57.3Low75 Ų75117.6 Ų117.677%0.77367%0.669SS**  trans-61.697.5161.400000107.1L8G6-L8 PolarHBondContact O-N 2.89Å; G6-L8 VanDerWaalsContact O-N 3.09Å
7S43.2Very low59.6Low109 Ų109113.8 Ų113.876%0.76264%0.641SS**  trans-64.7112.7171.562.40000107.2T5T5-S7 VanDerWaalsContact C-N 3.26Å; T5-S7 PolarHBondContact O-N 3.48Å
8L47.2Very low61.5Low67 Ų67109.4 Ų109.435%0.35162%0.616SS.*  trans-47.1136.5168.5-76.4158.1000109.6G6 K10 V49 Q52 Y53G6-L8 PolarHBondContact O-N 2.89Å; G6-L8 VanDerWaalsContact O-N 3.09Å; L8-K10 PolarHBondContact O-N 3.05Å; L8-V49 HydrophobicContact CD2-CB 3.69Å; L8-V49 HydrophobicContact CD2-CG1 3.32Å; L8-V49 HydrophobicContact CD2-CG2 3.48Å; L8-V49 VanDerWaalsContact CD2-CG2 3.48Å; L8-Q52 HydrophobicContact CD1-CG 4.08Å; L8-Y53 HydrophobicContact CD2-CE1 4.48Å
9P43.6Very low63.3Low88 Ų88111.9 Ų111.957%0.57162%0.619SS**  trans-56.7113.1170.8-4.611.3000108.3S11P9-S11 PolarHBondContact O-N 3.13Å
10K53.2Low65Low212 Ų212107.9 Ų107.992%0.92260%0.601SS**THydrogen-bonded Turntrans-65.7-2.4-174.3-77.5-175175.2179.20114.4L8L8-K10 PolarHBondContact O-N 3.05Å
11S54.3Low66.5Low109 Ų109102.7 Ų102.776%0.76257%0.572SS**THydrogen-bonded Turntrans-15348.5-165.568.70000115.2P9P9-S11 PolarHBondContact O-N 3.13Å
12S66.8Low69.2Low27 Ų2796 Ų9619%0.18954%0.537CS..  trans-79.1132.2152.367.60000107.6R17S12-R17 PolarHBondContact O-NH1 2.94Å; S12-R17 WeakPolarHBondContact OG-CG 3.42Å
13D88.4Confident71.9Confident85 Ų8592.8 Ų92.846%0.45553%0.527SS..  trans-59.9166.4173.865.384.7000111.3E15 S16 R17D13-E15 VanDerWaalsContact C-N 3.28Å; D13-E15 PolarHBondContact O-N 2.88Å; D13-E15 WeakPolarHBondContact OD1-CA 3.45Å; D13-E15 WeakPolarHBondContact OD1-CB 3.28Å; D13-E15 PolarHBondContact OD1-N 3.22Å; D13-S16 WeakPolarHBondContact O-CB 3.16Å; D13-S16 PolarHBondContact O-N 3.37Å; D13-S16 PolarHBondContact OD1-N 2.96Å; D13-S16 WeakPolarHBondContact OD2-CB 3.38Å; D13-S16 PolarHBondContact OD2-OG 3Å; D13-R17 PolarHBondContact O-N 3.11Å; D13-R17 VanDerWaalsContact O-N 3.08Å
14R91.9Very high74.8Confident81 Ų8184.7 Ų84.731%0.30649%0.494SS..Hα-helixtrans-56.7-40.4-178.6173.4166.9-170.7-145.66.6112.3R17 L18 E57 E65R14-R17 PolarHBondContact O-N 2.97Å; R14-L18 HydrophobicContact CG-CD1 3.81Å; R14-L18 HydrophobicContact CG-CG 4.31Å; R14-L18 WeakPolarHBondContact O-CB 3.29Å; R14-L18 VanDerWaalsContact O-CG 3.3Å; R14-L18 WeakPolarHBondContact O-CG 3.42Å; R14-L18 PolarHBondContact O-N 3.28Å; R14-E57 VanDerWaalsContact CD-OE2 3.26Å; R14-E57 WeakPolarHBondContact CD-OE2 3.23Å; R14-E57 VanDerWaalsContact CG-OE2 3.22Å; R14-E57 WeakPolarHBondContact CG-OE2 3.28Å; R14-E57 IonicContact CZ-OE2 3.12Å; R14-E57 IonicContact NE-OE2 3.05Å; R14-E57 PolarHBondContact NE-OE2 3.38Å; R14-E65 IonicContact CZ-OE1 3.33Å; R14-E65 IonicContact NH1-OE1 3.25Å; R14-E65 PolarHBondContact NH1-OE1 2.94Å; R14-E65 VanDerWaalsContact NH1-OE1 3.13Å; R14-E65 IonicContact NH2-OE1 2.9Å; R14-E65 PolarHBondContact NH2-OE1 3.4Å
15E92.4Very high77.2Confident152 Ų15281.3 Ų81.371%0.7146%0.464SS*.Hα-helixtrans-64.2-44.9180-174.4-175.3168.300110.6D13 R17 L18 K19D13-E15 VanDerWaalsContact C-N 3.28Å; D13-E15 PolarHBondContact O-N 2.88Å; D13-E15 WeakPolarHBondContact OD1-CA 3.45Å; D13-E15 WeakPolarHBondContact OD1-CB 3.28Å; D13-E15 PolarHBondContact OD1-N 3.22Å; E15-R17 PolarHBondContact O-N 2.75Å; E15-L18 PolarHBondContact O-N 2.96Å; E15-K19 WeakPolarHBondContact O-CB 3.34Å; E15-K19 PolarHBondContact O-N 3.08Å
16S94.5Very high79.7Confident54 Ų5476.2 Ų76.238%0.37844%0.438SS..Hα-helixtrans-59.3-42.7175.3-69.60000112.8D13 K19 A20D13-S16 WeakPolarHBondContact O-CB 3.16Å; D13-S16 PolarHBondContact O-N 3.37Å; D13-S16 PolarHBondContact OD1-N 2.96Å; D13-S16 WeakPolarHBondContact OD2-CB 3.38Å; D13-S16 PolarHBondContact OD2-OG 3Å; S16-K19 PolarHBondContact O-N 2.93Å; S16-A20 WeakPolarHBondContact O-CB 3.44Å; S16-A20 PolarHBondContact O-N 3.44Å
17R95Very high82.3Confident54 Ų5476.7 Ų76.720%0.20442%0.422CS..Hα-helixtrans-64.1-49.3176.2-71-166.8-64.1-96.93.1111.9S12 D13 R14 E15 K19 A20 I21 Y53 E57S12-R17 PolarHBondContact O-NH1 2.94Å; S12-R17 WeakPolarHBondContact OG-CG 3.42Å; D13-R17 PolarHBondContact O-N 3.11Å; D13-R17 VanDerWaalsContact O-N 3.08Å; R14-R17 PolarHBondContact O-N 2.97Å; E15-R17 PolarHBondContact O-N 2.75Å; R17-K19 VanDerWaalsContact C-N 3.28Å; R17-K19 PolarHBondContact O-N 3.02Å; R17-A20 PolarHBondContact O-N 2.78Å; R17-A20 VanDerWaalsContact O-N 3.17Å; R17-I21 WeakPolarHBondContact O-CD1 3.19Å; R17-I21 VanDerWaalsContact O-CG1 3.28Å; R17-I21 WeakPolarHBondContact O-CG1 3.39Å; R17-I21 PolarHBondContact O-N 2.83Å; R17-Y53 HydrophobicContact CB-CD2 4.16Å; R17-Y53 HydrophobicContact CB-CG 4.21Å; R17-Y53 VanDerWaalsContact CD-CD1 3.5Å; R17-Y53 HydrophobicContact CG-CD1 4.03Å; R17-Y53 HydrophobicContact CG-CD2 3.82Å; R17-Y53 HydrophobicContact CG-CE1 4.27Å; R17-Y53 HydrophobicContact CG-CE2 4.08Å; R17-Y53 HydrophobicContact CG-CG 3.79Å; R17-E57 IonicContact CZ-OE1 3.12Å; R17-E57 IonicContact NE-OE1 2.74Å; R17-E57 PolarHBondContact NE-OE1 3.4Å; R17-E57 IonicContact NH2-OE1 2.68Å; R17-E57 PolarHBondContact NH2-OE1 3.41Å
18L95.4Very high84.8Confident34 Ų3474.7 Ų74.718%0.17840%0.402CS..Hα-helixtrans-60.9-38.9179.3-70.2173000111.7R14 E15 K22 E57 L193R14-L18 HydrophobicContact CG-CD1 3.81Å; R14-L18 HydrophobicContact CG-CG 4.31Å; R14-L18 WeakPolarHBondContact O-CB 3.29Å; R14-L18 VanDerWaalsContact O-CG 3.3Å; R14-L18 WeakPolarHBondContact O-CG 3.42Å; R14-L18 PolarHBondContact O-N 3.28Å; E15-L18 PolarHBondContact O-N 2.96Å; L18-K22 VanDerWaalsContact O-CB 3.29Å; L18-K22 WeakPolarHBondContact O-CB 3.37Å; L18-K22 PolarHBondContact O-N 2.79Å; L18-E57 HydrophobicContact CD2-CB 4.33Å; L18-E57 HydrophobicContact CD2-CG 3.9Å; L18-E57 HydrophobicContact CG-CG 4.34Å; L18-L193 HydrophobicContact CD2-CB 3.97Å
19K95.2Very high87.1Confident157 Ų15775.6 Ų75.668%0.68341%0.412SS*.Hα-helixtrans-63.2-45.3174.3-175178.1179.7179.40111.9E15 S16 R17 K22 S23E15-K19 WeakPolarHBondContact O-CB 3.34Å; E15-K19 PolarHBondContact O-N 3.08Å; S16-K19 PolarHBondContact O-N 2.93Å; R17-K19 VanDerWaalsContact C-N 3.28Å; R17-K19 PolarHBondContact O-N 3.02Å; K19-K22 PolarHBondContact O-N 3.09Å; K19-S23 WeakPolarHBondContact O-CB 3.5Å; K19-S23 PolarHBondContact O-N 2.81Å
20A96.4Very high89.5Confident31 Ų3175.9 Ų75.926%0.25641%0.409SS..Hα-helixtrans-62-47.2177.600000111.5S16 R17 S23 A24 L50S16-A20 WeakPolarHBondContact O-CB 3.44Å; S16-A20 PolarHBondContact O-N 3.44Å; R17-A20 PolarHBondContact O-N 2.78Å; R17-A20 VanDerWaalsContact O-N 3.17Å; A20-S23 PolarHBondContact O-N 3.45Å; A20-S23 PolarHBondContact O-OG 3.44Å; A20-A24 PolarHBondContact O-N 3.03Å; A20-L50 HydrophobicContact CB-CD2 3.76Å
21I96.8Very high91.3Very high0 Ų070.7 Ų70.70%039%0.387CS..Hα-helixtrans-56.6-55174.8-65.9159.1000110R17 S23 A24 V25 V44 L54 E57 F194R17-I21 WeakPolarHBondContact O-CD1 3.19Å; R17-I21 VanDerWaalsContact O-CG1 3.28Å; R17-I21 WeakPolarHBondContact O-CG1 3.39Å; R17-I21 PolarHBondContact O-N 2.83Å; I21-S23 PolarHBondContact O-N 3.07Å; I21-A24 PolarHBondContact O-N 2.81Å; I21-V25 WeakPolarHBondContact O-CG2 3.43Å; I21-V25 PolarHBondContact O-N 2.73Å; I21-V44 HydrophobicContact CG2-CG1 4.38Å; I21-V44 HydrophobicContact CG2-CG2 4Å; I21-L54 HydrophobicContact CD1-CB 4.13Å; I21-L54 HydrophobicContact CG1-CB 4.44Å; I21-L54 HydrophobicContact CG2-CD1 4.3Å; I21-E57 HydrophobicContact CD1-CG 4.39Å; I21-F194 HydrophobicContact CG2-CE1 4.3Å
22K95.2Very high93Very high98 Ų9869.8 Ų69.843%0.42638%0.378SS..Hα-helixtrans-58.3-36-177.7-171.5172.6-176.6171.10112.2L18 K19 A24 V25 Q195L18-K22 VanDerWaalsContact O-CB 3.29Å; L18-K22 WeakPolarHBondContact O-CB 3.37Å; L18-K22 PolarHBondContact O-N 2.79Å; K19-K22 PolarHBondContact O-N 3.09Å; K22-A24 VanDerWaalsContact C-N 3.25Å; K22-A24 PolarHBondContact O-N 3.4Å; K22-V25 PolarHBondContact O-N 2.7Å; K22-Q195 PolarHBondContact NZ-O 3.26Å
23S95.7Very high94Very high100 Ų10073.3 Ų73.370%0.69939%0.39SS*.Hα-helixtrans-67.9-23178.475.60000114.2K19 A20 I21K19-S23 WeakPolarHBondContact O-CB 3.5Å; K19-S23 PolarHBondContact O-N 2.81Å; A20-S23 PolarHBondContact O-N 3.45Å; A20-S23 PolarHBondContact O-OG 3.44Å; I21-S23 PolarHBondContact O-N 3.07Å
24A96.9Very high94.3Very high24 Ų2477.8 Ų77.820%0.19841%0.408CS..THydrogen-bonded Turntrans-93.6-3.4177.300000113.2A20 I21 K22 G26 G43 V44 L50A20-A24 PolarHBondContact O-N 3.03Å; I21-A24 PolarHBondContact O-N 2.81Å; K22-A24 VanDerWaalsContact C-N 3.25Å; K22-A24 PolarHBondContact O-N 3.4Å; A24-G26 PolarHBondContact O-N 2.77Å; A24-G43 CarbonylContact O-C 3.59Å; A24-G43 VanDerWaalsContact O-CA 3.3Å; A24-G43 WeakPolarHBondContact O-CA 3.34Å; A24-V44 HydrophobicContact CB-CG2 4.09Å; A24-L50 HydrophobicContact CB-CD1 3.43Å; A24-L50 VanDerWaalsContact CB-CD1 3.43Å
25V96.3Very high94.2Very high15 Ų1577.1 Ų77.19%0.09143%0.427CS..  trans-77.4122.3175.3-175.70000109.4I21 K22 W39 F41 V44I21-V25 WeakPolarHBondContact O-CG2 3.43Å; I21-V25 PolarHBondContact O-N 2.73Å; K22-V25 PolarHBondContact O-N 2.7Å; V25-W39 HydrophobicContact CG1-CB 4.48Å; V25-W39 HydrophobicContact CG1-CE3 3.72Å; V25-W39 HydrophobicContact CG1-CZ3 4.32Å; V25-F41 HydrophobicContact CB-CE1 4.41Å; V25-F41 HydrophobicContact CG1-CD1 4.29Å; V25-F41 HydrophobicContact CG1-CE1 3.96Å; V25-F41 HydrophobicContact CG1-CZ 4.24Å; V25-F41 HydrophobicContact CG2-CD1 3.79Å; V25-F41 HydrophobicContact CG2-CE1 3.47Å; V25-F41 VanDerWaalsContact CG2-CE1 3.47Å; V25-F41 HydrophobicContact CG2-CZ 4.42Å; V25-V44 HydrophobicContact CG2-CG2 3.98Å
26G95.6Very high94Very high28 Ų2873.2 Ų73.229%0.28941%0.41SS..EExtended strand (participates in β ladder)trans-78148.1174.900000111.6A24 D40A24-G26 PolarHBondContact O-N 2.77Å; G26-D40 PolarHBondContact N-O 2.96Å; G26-D40 PolarHBondContact O-N 2.93Å
27I94.5Very high93.8Very high86 Ų8675.3 Ų75.344%0.44142%0.416SS..EExtended strand (participates in β ladder)trans-117.9116.5173.1-56.9-63000108I37 W39I27-I37 HydrophobicContact CG2-CG2 3.35Å; I27-W39 HydrophobicContact CD1-CD2 3.47Å; I27-W39 VanDerWaalsContact CD1-CD2 3.47Å; I27-W39 HydrophobicContact CD1-CE3 3.71Å; I27-W39 HydrophobicContact CD1-CG 4.02Å; I27-W39 HydrophobicContact CD1-CH2 3.72Å; I27-W39 HydrophobicContact CD1-CZ2 3.5Å; I27-W39 VanDerWaalsContact CD1-CZ2 3.5Å; I27-W39 HydrophobicContact CD1-CZ3 3.84Å
28I94.9Very high93.7Very high66 Ų6674.7 Ų74.734%0.33842%0.415SS..EExtended strand (participates in β ladder)trans-113109.2-178.5-55.3175.4000108F31 F38 D40I28-F31 HydrophobicContact CG2-CB 3.93Å; I28-F38 HydrophobicContact CB-CB 4.24Å; I28-F38 HydrophobicContact CD1-CD1 4.24Å; I28-F38 PolarHBondContact N-O 2.83Å; I28-F38 PolarHBondContact O-N 3.43Å; I28-D40 HydrophobicContact CD1-CB 3.99Å; I28-D40 HydrophobicContact CG1-CB 4.42Å
29P95.3Very high93.6Very high87 Ų8775 Ų7557%0.56541%0.414SS*.EExtended strand (participates in β ladder)trans-70155.2175.130.2-33.9000111.2F31 I36P29-F31 VanDerWaalsContact C-N 3.31Å; P29-F31 PolarHBondContact O-N 3.41Å; P29-I36 CarbonylContact C-O 3.46Å
30D94.1Very high93.6Very high93 Ų9369.1 Ų69.150%0.49739%0.389SS..THydrogen-bonded Turntrans57.534.9173-58.9-47.6000115.1K33 Q34 G35 I36D30-K33 CarbonylContact C-O 3.13Å; D30-K33 WeakPolarHBondContact CA-O 3.17Å; D30-K33 CarbonylContact O-C 3.52Å; D30-Q34 WeakPolarHBondContact OD1-CA 3.47Å; D30-G35 PolarHBondContact OD1-N 3.34Å; D30-I36 WeakPolarHBondContact CA-O 3.48Å; D30-I36 PolarHBondContact N-O 3.14Å
31F92.4Very high93.5Very high103 Ų10367.9 Ų67.945%0.45238%0.378SS..  trans-131.1136.3177.7-174.4-91.3000112.5I28 P29 K33 I36 F38I28-F31 HydrophobicContact CG2-CB 3.93Å; P29-F31 VanDerWaalsContact C-N 3.31Å; P29-F31 PolarHBondContact O-N 3.41Å; F31-K33 PolarHBondContact N-O 2.97Å; F31-I36 PolarHBondContact N-O 2.84Å; F31-I36 WeakPolarHBondContact O-CB 3.48Å; F31-I36 WeakPolarHBondContact O-CG2 3.33Å; F31-F38 HydrophobicContact CB-CB 4.12Å; F31-F38 HydrophobicContact CD1-CB 3.89Å; F31-F38 HydrophobicContact CD1-CD1 4.16Å; F31-F38 AromaticContact CD1-CD2 3.62Å; F31-F38 HydrophobicContact CD1-CD2 3.62Å; F31-F38 HydrophobicContact CD1-CE2 4.11Å; F31-F38 AromaticContact CD1-CG 3.63Å; F31-F38 HydrophobicContact CD1-CG 3.63Å; F31-F38 AromaticContact CE1-CD2 3.99Å; F31-F38 HydrophobicContact CE1-CD2 3.99Å; F31-F38 AromaticContact CE1-CE2 4Å; F31-F38 HydrophobicContact CE1-CE2 4Å; F31-F38 HydrophobicContact CE1-CG 4.28Å; F31-F38 HydrophobicContact CE1-CZ 4.33Å; F31-F38 WeakPolarHBondContact O-CB 3.36Å
32P88.6Confident93.5Very high90 Ų9072.7 Ų72.758%0.58440%0.399SS*.SBendcis-78.5-1.1-3.334.4-37.4000113.6
33K89.5Confident93.6Very high102 Ų10269.2 Ų69.244%0.44339%0.391SS..SBendtrans-136.3157.8177.2-60.8-178.1-177.6179.30109.8D30 F31 I36D30-K33 CarbonylContact C-O 3.13Å; D30-K33 WeakPolarHBondContact CA-O 3.17Å; D30-K33 CarbonylContact O-C 3.52Å; F31-K33 PolarHBondContact N-O 2.97Å; K33-I36 HydrophobicContact CB-CD1 3.98Å; K33-I36 WeakPolarHBondContact O-CB 3.38Å; K33-I36 PolarHBondContact O-N 3.35Å
34Q93Very high93.7Very high179 Ų17964.4 Ų64.484%0.83636%0.358SS*.THydrogen-bonded Turntrans-54.2137.8173.4-168.8178.20.200111.5D30 I36D30-Q34 WeakPolarHBondContact OD1-CA 3.47Å; Q34-I36 VanDerWaalsContact C-N 3.33Å
35G89.8Confident93.7Very high67 Ų6765.6 Ų65.669%0.69136%0.359SS*.THydrogen-bonded Turntrans85.6-5.9-178.200000115D30D30-G35 PolarHBondContact OD1-N 3.34Å
36I88.1Confident93.8Very high69 Ų6974.7 Ų74.735%0.35439%0.391SS..  trans-97.1128.3177.6-57.5179.3000110.1P29 D30 F31 K33 Q34P29-I36 CarbonylContact C-O 3.46Å; D30-I36 WeakPolarHBondContact CA-O 3.48Å; D30-I36 PolarHBondContact N-O 3.14Å; F31-I36 PolarHBondContact N-O 2.84Å; F31-I36 WeakPolarHBondContact O-CB 3.48Å; F31-I36 WeakPolarHBondContact O-CG2 3.33Å; K33-I36 HydrophobicContact CB-CD1 3.98Å; K33-I36 WeakPolarHBondContact O-CB 3.38Å; K33-I36 PolarHBondContact O-N 3.35Å; Q34-I36 VanDerWaalsContact C-N 3.33Å
37I91.2Very high93.9Very high99 Ų9976.4 Ų76.451%0.50839%0.394SS..EExtended strand (participates in β ladder)trans-91.5110.5169.7-58.8179.6000108.3I27I27-I37 HydrophobicContact CG2-CG2 3.35Å
38F92.2Very high94Very high41 Ų4177.2 Ų77.218%0.1841%0.405CS..EExtended strand (participates in β ladder)trans-89.1130.4177.8-174.8-92.1000111.4I28 F31 D40 R82I28-F38 HydrophobicContact CB-CB 4.24Å; I28-F38 HydrophobicContact CD1-CD1 4.24Å; I28-F38 PolarHBondContact N-O 2.83Å; I28-F38 PolarHBondContact O-N 3.43Å; F31-F38 HydrophobicContact CB-CB 4.12Å; F31-F38 HydrophobicContact CD1-CB 3.89Å; F31-F38 HydrophobicContact CD1-CD1 4.16Å; F31-F38 AromaticContact CD1-CD2 3.62Å; F31-F38 HydrophobicContact CD1-CD2 3.62Å; F31-F38 HydrophobicContact CD1-CE2 4.11Å; F31-F38 AromaticContact CD1-CG 3.63Å; F31-F38 HydrophobicContact CD1-CG 3.63Å; F31-F38 AromaticContact CE1-CD2 3.99Å; F31-F38 HydrophobicContact CE1-CD2 3.99Å; F31-F38 AromaticContact CE1-CE2 4Å; F31-F38 HydrophobicContact CE1-CE2 4Å; F31-F38 HydrophobicContact CE1-CG 4.28Å; F31-F38 HydrophobicContact CE1-CZ 4.33Å; F31-F38 WeakPolarHBondContact O-CB 3.36Å; F38-D40 HydrophobicContact CD1-CB 4.09Å; F38-D40 HydrophobicContact CE1-CB 3.96Å; F38-R82 VanDerWaalsContact CZ-NH1 3.35Å
39W93.5Very high94.1Very high40 Ų4076.4 Ų76.415%0.15240%0.403CS..EExtended strand (participates in β ladder)trans-95.5108.7176.7-73.364.9000109.2V25 I27 F41 V172 L174 A196V25-W39 HydrophobicContact CG1-CB 4.48Å; V25-W39 HydrophobicContact CG1-CE3 3.72Å; V25-W39 HydrophobicContact CG1-CZ3 4.32Å; I27-W39 HydrophobicContact CD1-CD2 3.47Å; I27-W39 VanDerWaalsContact CD1-CD2 3.47Å; I27-W39 HydrophobicContact CD1-CE3 3.71Å; I27-W39 HydrophobicContact CD1-CG 4.02Å; I27-W39 HydrophobicContact CD1-CH2 3.72Å; I27-W39 HydrophobicContact CD1-CZ2 3.5Å; I27-W39 VanDerWaalsContact CD1-CZ2 3.5Å; I27-W39 HydrophobicContact CD1-CZ3 3.84Å; W39-F41 HydrophobicContact CB-CE2 4.24Å; W39-V172 HydrophobicContact CE3-CG2 4.23Å; W39-V172 HydrophobicContact CZ3-CG2 4.42Å; W39-L174 HydrophobicContact CD2-CD2 4.08Å; W39-L174 HydrophobicContact CG-CD2 4.06Å; W39-L174 HydrophobicContact CZ2-CD2 4.47Å; W39-A196 HydrophobicContact CH2-CB 3.25Å; W39-A196 HydrophobicContact CZ2-CB 3.15Å; W39-A196 HydrophobicContact CZ3-CB 3.99Å
40D95Very high94.3Very high33 Ų3373.2 Ų73.218%0.17638%0.381CS..EExtended strand (participates in β ladder)trans-96.2107.7-176.6-177.815.5000111.8G26 I28 F38 F42G26-D40 PolarHBondContact N-O 2.96Å; G26-D40 PolarHBondContact O-N 2.93Å; I28-D40 HydrophobicContact CD1-CB 3.99Å; I28-D40 HydrophobicContact CG1-CB 4.42Å; F38-D40 HydrophobicContact CD1-CB 4.09Å; F38-D40 HydrophobicContact CE1-CB 3.96Å; D40-F42 VanDerWaalsContact C-N 3.33Å; D40-F42 WeakPolarHBondContact OD1-CB 3.49Å; D40-F42 WeakPolarHBondContact OD1-CD2 3.37Å; D40-F42 PolarHBondContact OD1-N 2.6Å
41F95.7Very high94.5Very high5 Ų570.3 Ų70.32%0.02237%0.366CS..THydrogen-bonded Turntrans-81.3-7177.2-72.9-73.8000114.3V25 W39 G43 V44 F45 D143 V144 F171 V172 F194V25-F41 HydrophobicContact CB-CE1 4.41Å; V25-F41 HydrophobicContact CG1-CD1 4.29Å; V25-F41 HydrophobicContact CG1-CE1 3.96Å; V25-F41 HydrophobicContact CG1-CZ 4.24Å; V25-F41 HydrophobicContact CG2-CD1 3.79Å; V25-F41 HydrophobicContact CG2-CE1 3.47Å; V25-F41 VanDerWaalsContact CG2-CE1 3.47Å; V25-F41 HydrophobicContact CG2-CZ 4.42Å; W39-F41 HydrophobicContact CB-CE2 4.24Å; F41-G43 PolarHBondContact O-N 2.89Å; F41-G43 VanDerWaalsContact O-N 3.16Å; F41-V44 HydrophobicContact CD1-CG2 4.35Å; F41-V44 VanDerWaalsContact O-CB 3.32Å; F41-V44 WeakPolarHBondContact O-CB 3.42Å; F41-V44 PolarHBondContact O-N 3.13Å; F41-F45 HydrophobicContact CB-CD2 4.11Å; F41-F45 HydrophobicContact CB-CE2 3.65Å; F41-F45 WeakPolarHBondContact O-CD2 3.38Å; F41-F45 PolarHBondContact O-N 2.94Å; F41-D143 HydrophobicContact CD2-CB 4.35Å; F41-V144 HydrophobicContact CE2-CG2 3.78Å; F41-F171 AromaticContact CD1-CD2 3.82Å; F41-F171 HydrophobicContact CD1-CD2 3.82Å; F41-F171 AromaticContact CD2-CD2 3.93Å; F41-F171 HydrophobicContact CD2-CD2 3.93Å; F41-F171 HydrophobicContact CE1-CB 4.02Å; F41-F171 HydrophobicContact CE1-CD2 4.01Å; F41-F171 HydrophobicContact CE1-CG 4.48Å; F41-F171 HydrophobicContact CE2-CB 4.38Å; F41-F171 HydrophobicContact CE2-CD2 4.05Å; F41-F171 AromaticContact CG-CD2 3.81Å; F41-F171 HydrophobicContact CG-CD2 3.81Å; F41-F171 HydrophobicContact CG-CE2 4.31Å; F41-F171 HydrophobicContact CZ-CB 3.83Å; F41-F171 HydrophobicContact CZ-CD2 4.09Å; F41-F171 HydrophobicContact CZ-CG 4.49Å; F41-V172 HydrophobicContact CE2-CG1 3.99Å; F41-V172 HydrophobicContact CZ-CB 4.11Å; F41-V172 HydrophobicContact CZ-CG1 3.77Å; F41-F194 AromaticContact CE1-CE2 3.82Å; F41-F194 HydrophobicContact CE1-CE2 3.82Å; F41-F194 AromaticContact CE1-CZ 3.38Å; F41-F194 HydrophobicContact CE1-CZ 3.38Å; F41-F194 AromaticContact CZ-CE2 3.75Å; F41-F194 HydrophobicContact CZ-CE2 3.75Å; F41-F194 AromaticContact CZ-CZ 3.64Å; F41-F194 HydrophobicContact CZ-CZ 3.64Å
42F96.5Very high94.7Very high101 Ų10168.1 Ų68.144%0.44336%0.358SS..Hα-helixtrans-64.5-21.6-178.5-72.1-65.3000113.4D40 V44 F45 R46 L85D40-F42 VanDerWaalsContact C-N 3.33Å; D40-F42 WeakPolarHBondContact OD1-CB 3.49Å; D40-F42 WeakPolarHBondContact OD1-CD2 3.37Å; D40-F42 PolarHBondContact OD1-N 2.6Å; F42-V44 VanDerWaalsContact C-N 3.33Å; F42-F45 HydrophobicContact CD1-CB 4.47Å; F42-F45 HydrophobicContact CD1-CD2 4.2Å; F42-F45 PolarHBondContact O-N 3.02Å; F42-R46 VanDerWaalsContact O-CG 3.25Å; F42-R46 WeakPolarHBondContact O-CG 3.37Å; F42-R46 PolarHBondContact O-N 3.4Å; F42-L85 HydrophobicContact CE1-CD2 4.2Å
43G96.4Very high95.1Very high25 Ų2564.9 Ų64.926%0.25833%0.334SS..Hα-helixtrans-61.9-38.5168.900000113A24 F41A24-G43 CarbonylContact O-C 3.59Å; A24-G43 VanDerWaalsContact O-CA 3.3Å; A24-G43 WeakPolarHBondContact O-CA 3.34Å; F41-G43 PolarHBondContact O-N 2.89Å; F41-G43 VanDerWaalsContact O-N 3.16Å
44V97.7Very high95.5Very high0 Ų060 Ų600%031%0.313CS..Hα-helixtrans-66-45.1172.4-179.30000110.4I21 A24 V25 F41 F42 R46 D47 L50 T51 L54I21-V44 HydrophobicContact CG2-CG1 4.38Å; I21-V44 HydrophobicContact CG2-CG2 4Å; A24-V44 HydrophobicContact CB-CG2 4.09Å; V25-V44 HydrophobicContact CG2-CG2 3.98Å; F41-V44 HydrophobicContact CD1-CG2 4.35Å; F41-V44 VanDerWaalsContact O-CB 3.32Å; F41-V44 WeakPolarHBondContact O-CB 3.42Å; F41-V44 PolarHBondContact O-N 3.13Å; F42-V44 VanDerWaalsContact C-N 3.33Å; V44-R46 PolarHBondContact O-N 3.35Å; V44-D47 PolarHBondContact O-N 2.99Å; V44-D47 VanDerWaalsContact O-N 3.16Å; V44-L50 HydrophobicContact CG1-CB 3.89Å; V44-T51 PolarHBondContact O-OG1 3.35Å; V44-L54 HydrophobicContact CG1-CB 4.27Å; V44-L54 HydrophobicContact CG1-CD2 4Å
45F97.8Very high95.8Very high48 Ų4852.4 Ų52.421%0.21128%0.278CS..Hα-helixtrans-70.3-15.2-177.2-65.2-62.7000114.9F41 F42 D47 T51 L54 L85 L86 F171F41-F45 HydrophobicContact CB-CD2 4.11Å; F41-F45 HydrophobicContact CB-CE2 3.65Å; F41-F45 WeakPolarHBondContact O-CD2 3.38Å; F41-F45 PolarHBondContact O-N 2.94Å; F42-F45 HydrophobicContact CD1-CB 4.47Å; F42-F45 HydrophobicContact CD1-CD2 4.2Å; F42-F45 PolarHBondContact O-N 3.02Å; F45-D47 VanDerWaalsContact C-N 3.3Å; F45-T51 WeakPolarHBondContact CA-OG1 3.41Å; F45-T51 HydrophobicContact CD1-CG2 4Å; F45-T51 HydrophobicContact CE1-CG2 4.27Å; F45-L54 HydrophobicContact CE1-CD2 4.5Å; F45-L54 HydrophobicContact CZ-CD2 4.25Å; F45-L85 HydrophobicContact CD2-CD1 4.32Å; F45-L85 HydrophobicContact CE1-CB 4.29Å; F45-L85 HydrophobicContact CE2-CB 4.06Å; F45-L85 HydrophobicContact CE2-CD1 3.62Å; F45-L85 HydrophobicContact CE2-CG 4.36Å; F45-L85 HydrophobicContact CZ-CB 3.71Å; F45-L85 HydrophobicContact CZ-CD1 4.14Å; F45-L85 HydrophobicContact CZ-CG 4.49Å; F45-L86 HydrophobicContact CE1-CD1 3.88Å; F45-L86 HydrophobicContact CE1-CD2 4.07Å; F45-L86 HydrophobicContact CE1-CG 3.7Å; F45-L86 HydrophobicContact CZ-CD1 4.12Å; F45-L86 HydrophobicContact CZ-CG 4.04Å; F45-F171 HydrophobicContact CE2-CE2 4.44Å; F45-F171 HydrophobicContact CZ-CE2 4.04Å; F45-F171 HydrophobicContact CZ-CZ 4.31Å
46R97.8Very high96.2Very high207 Ų20751.2 Ų51.278%0.78126%0.256SS*.THydrogen-bonded Turntrans-77.5-17.5173.2-76.2170.2-170-170.35.6113.1F42 V44F42-R46 VanDerWaalsContact O-CG 3.25Å; F42-R46 WeakPolarHBondContact O-CG 3.37Å; F42-R46 PolarHBondContact O-N 3.4Å; V44-R46 PolarHBondContact O-N 3.35Å
47D97.7Very high96.6Very high63 Ų6348 Ų4834%0.33724%0.239SC..  trans-111.6111.1175.7-172.4-22.3000109.7V44 F45 V49 L50 T51V44-D47 PolarHBondContact O-N 2.99Å; V44-D47 VanDerWaalsContact O-N 3.16Å; F45-D47 VanDerWaalsContact C-N 3.3Å; D47-V49 PolarHBondContact O-N 3.06Å; D47-V49 WeakPolarHBondContact OD1-CA 3.41Å; D47-V49 VanDerWaalsContact OD1-CB 3.22Å; D47-V49 WeakPolarHBondContact OD1-CB 3.44Å; D47-V49 PolarHBondContact OD1-N 2.74Å; D47-L50 HydrophobicContact CB-CB 4.07Å; D47-L50 HydrophobicContact CB-CD1 3.94Å; D47-L50 HydrophobicContact CB-CG 3.86Å; D47-L50 PolarHBondContact O-N 2.84Å; D47-L50 VanDerWaalsContact O-N 3.14Å; D47-T51 PolarHBondContact O-N 3.43Å; D47-T51 PolarHBondContact O-OG1 3.44Å
48P97.8Very high97Very high103 Ų10343.2 Ų43.267%0.66922%0.215SC*.Hα-helixtrans-56.1-30.9177.1-26.235.3000113.7Q52P48-Q52 WeakPolarHBondContact O-CB 3.43Å; P48-Q52 PolarHBondContact O-N 2.83Å
49V97.1Very high97.3Very high50 Ų5045.2 Ų45.230%0.30322%0.221SC..Hα-helixtrans-66.4-48.7177.1175.90000110.5L8 D47 T51 Q52 Y53L8-V49 HydrophobicContact CD2-CB 3.69Å; L8-V49 HydrophobicContact CD2-CG1 3.32Å; L8-V49 HydrophobicContact CD2-CG2 3.48Å; L8-V49 VanDerWaalsContact CD2-CG2 3.48Å; D47-V49 PolarHBondContact O-N 3.06Å; D47-V49 WeakPolarHBondContact OD1-CA 3.41Å; D47-V49 VanDerWaalsContact OD1-CB 3.22Å; D47-V49 WeakPolarHBondContact OD1-CB 3.44Å; D47-V49 PolarHBondContact OD1-N 2.74Å; V49-T51 VanDerWaalsContact C-N 3.32Å; V49-T51 PolarHBondContact O-N 2.85Å; V49-Q52 PolarHBondContact O-N 3.24Å; V49-Y53 HydrophobicContact CG1-CD2 4.25Å; V49-Y53 HydrophobicContact CG1-CE1 4.13Å; V49-Y53 HydrophobicContact CG1-CE2 3.73Å; V49-Y53 PolarHBondContact O-N 2.78Å
50L97.8Very high97.4Very high19 Ų1948.1 Ų48.110%0.09923%0.233CC..Hα-helixtrans-68.9-34179.5-59-177.5000111.8A20 A24 V44 D47 Y53 L54A20-L50 HydrophobicContact CB-CD2 3.76Å; A24-L50 HydrophobicContact CB-CD1 3.43Å; A24-L50 VanDerWaalsContact CB-CD1 3.43Å; V44-L50 HydrophobicContact CG1-CB 3.89Å; D47-L50 HydrophobicContact CB-CB 4.07Å; D47-L50 HydrophobicContact CB-CD1 3.94Å; D47-L50 HydrophobicContact CB-CG 3.86Å; D47-L50 PolarHBondContact O-N 2.84Å; D47-L50 VanDerWaalsContact O-N 3.14Å; L50-Y53 HydrophobicContact CD2-CD2 4.13Å; L50-Y53 PolarHBondContact O-N 3.41Å; L50-L54 WeakPolarHBondContact O-CB 3.34Å; L50-L54 PolarHBondContact O-N 3.17Å
51T98.4Very high97.6Very high32 Ų3246.6 Ų46.620%0.19623%0.225CC..Hα-helixtrans-62-44.5172.4-56.80000111.3V44 F45 D47 V49 L54 L55 L86V44-T51 PolarHBondContact O-OG1 3.35Å; F45-T51 WeakPolarHBondContact CA-OG1 3.41Å; F45-T51 HydrophobicContact CD1-CG2 4Å; F45-T51 HydrophobicContact CE1-CG2 4.27Å; D47-T51 PolarHBondContact O-N 3.43Å; D47-T51 PolarHBondContact O-OG1 3.44Å; V49-T51 VanDerWaalsContact C-N 3.32Å; V49-T51 PolarHBondContact O-N 2.85Å; T51-L54 PolarHBondContact O-N 2.99Å; T51-L55 PolarHBondContact O-N 3.06Å; T51-L86 HydrophobicContact CG2-CD2 4.21Å
52Q97.5Very high97.7Very high57 Ų5746.3 Ų46.327%0.26622%0.224SC..Hα-helixtrans-63.3-43.7175.7-175.859.966.300111.3L8 P48 V49 L54 L55 D56L8-Q52 HydrophobicContact CD1-CG 4.08Å; P48-Q52 WeakPolarHBondContact O-CB 3.43Å; P48-Q52 PolarHBondContact O-N 2.83Å; V49-Q52 PolarHBondContact O-N 3.24Å; Q52-L54 PolarHBondContact O-N 2.98Å; Q52-L55 PolarHBondContact O-N 3.06Å; Q52-D56 VanDerWaalsContact NE2-CG 3.33Å; Q52-D56 PolarHBondContact NE2-OD1 2.74Å; Q52-D56 PolarHBondContact NE2-OD2 3.46Å; Q52-D56 WeakPolarHBondContact O-CB 3.33Å; Q52-D56 PolarHBondContact O-N 2.89Å
53Y97.5Very high97.8Very high23 Ų2343 Ų439%0.0921%0.211CC..Hα-helixtrans-59.9-44.4175.1-69.7-10.7000112.1L8 R17 V49 L50 L55 D56 E57L8-Y53 HydrophobicContact CD2-CE1 4.48Å; R17-Y53 HydrophobicContact CB-CD2 4.16Å; R17-Y53 HydrophobicContact CB-CG 4.21Å; R17-Y53 VanDerWaalsContact CD-CD1 3.5Å; R17-Y53 HydrophobicContact CG-CD1 4.03Å; R17-Y53 HydrophobicContact CG-CD2 3.82Å; R17-Y53 HydrophobicContact CG-CE1 4.27Å; R17-Y53 HydrophobicContact CG-CE2 4.08Å; R17-Y53 HydrophobicContact CG-CG 3.79Å; V49-Y53 HydrophobicContact CG1-CD2 4.25Å; V49-Y53 HydrophobicContact CG1-CE1 4.13Å; V49-Y53 HydrophobicContact CG1-CE2 3.73Å; V49-Y53 PolarHBondContact O-N 2.78Å; L50-Y53 HydrophobicContact CD2-CD2 4.13Å; L50-Y53 PolarHBondContact O-N 3.41Å; Y53-L55 PolarHBondContact O-N 3.42Å; Y53-D56 PolarHBondContact O-N 2.99Å; Y53-E57 WeakPolarHBondContact O-CG 3.3Å; Y53-E57 PolarHBondContact O-N 2.85Å
54L97.8Very high97.8Very high0 Ų043.9 Ų43.90%021%0.214CC..Hα-helixtrans-60.5-46.3177.3179.257.1000111.1I21 V44 F45 L50 T51 Q52 E57 L58 L86 F171 L193I21-L54 HydrophobicContact CD1-CB 4.13Å; I21-L54 HydrophobicContact CG1-CB 4.44Å; I21-L54 HydrophobicContact CG2-CD1 4.3Å; V44-L54 HydrophobicContact CG1-CB 4.27Å; V44-L54 HydrophobicContact CG1-CD2 4Å; F45-L54 HydrophobicContact CE1-CD2 4.5Å; F45-L54 HydrophobicContact CZ-CD2 4.25Å; L50-L54 WeakPolarHBondContact O-CB 3.34Å; L50-L54 PolarHBondContact O-N 3.17Å; T51-L54 PolarHBondContact O-N 2.99Å; Q52-L54 PolarHBondContact O-N 2.98Å; L54-E57 PolarHBondContact O-N 2.96Å; L54-L58 HydrophobicContact CD1-CD1 4.35Å; L54-L58 HydrophobicContact CD1-CG 4.48Å; L54-L58 HydrophobicContact CG-CD1 4.22Å; L54-L58 WeakPolarHBondContact O-CD1 3.49Å; L54-L58 VanDerWaalsContact O-CG 3.24Å; L54-L58 WeakPolarHBondContact O-CG 3.26Å; L54-L58 PolarHBondContact O-N 3.37Å; L54-L86 HydrophobicContact CB-CD1 4.21Å; L54-L86 HydrophobicContact CD2-CD1 3.49Å; L54-L86 VanDerWaalsContact CD2-CD1 3.49Å; L54-L86 HydrophobicContact CG-CD1 3.53Å; L54-F171 HydrophobicContact CD1-CD1 4.03Å; L54-F171 HydrophobicContact CD1-CE1 4.4Å; L54-F171 HydrophobicContact CD1-CG 4.27Å; L54-F171 HydrophobicContact CD2-CD1 4.4Å; L54-F171 HydrophobicContact CD2-CD2 4.15Å; L54-F171 HydrophobicContact CD2-CE1 4.23Å; L54-F171 HydrophobicContact CD2-CE2 3.96Å; L54-F171 HydrophobicContact CD2-CG 4.39Å; L54-F171 HydrophobicContact CD2-CZ 4.02Å; L54-F171 HydrophobicContact CG-CE1 4.43Å; L54-L193 HydrophobicContact CD1-CD1 3.41Å; L54-L193 VanDerWaalsContact CD1-CD1 3.41Å
55L98.3Very high97.8Very high19 Ų1946.9 Ų46.910%0.09923%0.228CC..Hα-helixtrans-63.4-40.8176.6-178.760.4000112.7T51 Q52 Y53 L58 Y59 A89 L90T51-L55 PolarHBondContact O-N 3.06Å; Q52-L55 PolarHBondContact O-N 3.06Å; Y53-L55 PolarHBondContact O-N 3.42Å; L55-L58 PolarHBondContact O-N 3.42Å; L55-Y59 WeakPolarHBondContact O-CB 3.34Å; L55-Y59 PolarHBondContact O-N 3.34Å; L55-A89 HydrophobicContact CD1-CB 4.12Å; L55-A89 HydrophobicContact CD2-CB 4.03Å; L55-L90 HydrophobicContact CD1-CB 4.14Å
56D97.6Very high97.8Very high42 Ų4244.6 Ų44.623%0.22522%0.218CC..Hα-helixtrans-64.2-39.9178.2-72.1-22.5000111.7Q52 Y53 Y59 Y60 R93Q52-D56 VanDerWaalsContact NE2-CG 3.33Å; Q52-D56 PolarHBondContact NE2-OD1 2.74Å; Q52-D56 PolarHBondContact NE2-OD2 3.46Å; Q52-D56 WeakPolarHBondContact O-CB 3.33Å; Q52-D56 PolarHBondContact O-N 2.89Å; Y53-D56 PolarHBondContact O-N 2.99Å; D56-Y59 PolarHBondContact O-N 2.68Å; D56-Y60 WeakPolarHBondContact O-CB 3.41Å; D56-Y60 PolarHBondContact O-N 2.74Å; D56-R93 IonicContact OD1-CZ 3.21Å; D56-R93 IonicContact OD1-NE 3.84Å; D56-R93 IonicContact OD1-NH1 3.68Å; D56-R93 IonicContact OD1-NH2 2.7Å; D56-R93 PolarHBondContact OD1-NH2 2.97Å
57E97.7Very high97.8Very high0 Ų036.7 Ų36.70%019%0.19CC..Hα-helixtrans-67.7-40.9176.1-71-54.8139.600112.5R14 R17 L18 I21 Y53 L54 Y60 V61 L193R14-E57 VanDerWaalsContact CD-OE2 3.26Å; R14-E57 WeakPolarHBondContact CD-OE2 3.23Å; R14-E57 VanDerWaalsContact CG-OE2 3.22Å; R14-E57 WeakPolarHBondContact CG-OE2 3.28Å; R14-E57 IonicContact CZ-OE2 3.12Å; R14-E57 IonicContact NE-OE2 3.05Å; R14-E57 PolarHBondContact NE-OE2 3.38Å; R17-E57 IonicContact CZ-OE1 3.12Å; R17-E57 IonicContact NE-OE1 2.74Å; R17-E57 PolarHBondContact NE-OE1 3.4Å; R17-E57 IonicContact NH2-OE1 2.68Å; R17-E57 PolarHBondContact NH2-OE1 3.41Å; L18-E57 HydrophobicContact CD2-CB 4.33Å; L18-E57 HydrophobicContact CD2-CG 3.9Å; L18-E57 HydrophobicContact CG-CG 4.34Å; I21-E57 HydrophobicContact CD1-CG 4.39Å; Y53-E57 WeakPolarHBondContact O-CG 3.3Å; Y53-E57 PolarHBondContact O-N 2.85Å; L54-E57 PolarHBondContact O-N 2.96Å; E57-Y60 PolarHBondContact O-N 3.39Å; E57-V61 WeakPolarHBondContact O-CG2 3.25Å; E57-V61 PolarHBondContact O-N 2.83Å; E57-L193 HydrophobicContact CB-CD1 3.84Å; E57-L193 HydrophobicContact CB-CD2 4Å
58L98.5Very high97.7Very high0 Ų044 Ų440%021%0.213CC..Hα-helixtrans-61.6-45.5173.9-69165.9000111.6L54 L55 Y60 V61 A62 L86 L90 F141 L169 F171 L193L54-L58 HydrophobicContact CD1-CD1 4.35Å; L54-L58 HydrophobicContact CD1-CG 4.48Å; L54-L58 HydrophobicContact CG-CD1 4.22Å; L54-L58 WeakPolarHBondContact O-CD1 3.49Å; L54-L58 VanDerWaalsContact O-CG 3.24Å; L54-L58 WeakPolarHBondContact O-CG 3.26Å; L54-L58 PolarHBondContact O-N 3.37Å; L55-L58 PolarHBondContact O-N 3.42Å; L58-Y60 VanDerWaalsContact C-N 3.34Å; L58-V61 PolarHBondContact O-N 3.4Å; L58-A62 VanDerWaalsContact O-CB 3.32Å; L58-A62 WeakPolarHBondContact O-CB 3.33Å; L58-A62 PolarHBondContact O-N 2.97Å; L58-L86 HydrophobicContact CD1-CB 4.32Å; L58-L86 HydrophobicContact CD1-CD1 3.83Å; L58-L90 HydrophobicContact CB-CD1 4.24Å; L58-F141 HydrophobicContact CD1-CE2 3.86Å; L58-F141 HydrophobicContact CD1-CZ 3.95Å; L58-F141 HydrophobicContact CD2-CE2 3.89Å; L58-F141 HydrophobicContact CG-CE2 4.39Å; L58-L169 HydrophobicContact CB-CD2 4.34Å; L58-L169 HydrophobicContact CD2-CD1 4.03Å; L58-L169 HydrophobicContact CD2-CD2 4.04Å; L58-L169 HydrophobicContact CD2-CG 3.87Å; L58-F171 HydrophobicContact CD1-CD1 4.06Å; L58-F171 HydrophobicContact CD1-CE1 3.53Å; L58-F171 HydrophobicContact CD2-CD1 4.04Å; L58-F171 HydrophobicContact CD2-CE1 4.26Å; L58-F171 HydrophobicContact CG-CE1 4.43Å; L58-L193 HydrophobicContact CD2-CD1 3.84Å; L58-L193 HydrophobicContact CD2-CD2 4.36Å; L58-L193 HydrophobicContact CD2-CG 4.05Å; L58-L193 HydrophobicContact CG-CD1 3.98Å
59Y98.3Very high97.6Very high82 Ų8246.2 Ų46.232%0.32221%0.212SC..Hα-helixtrans-64-40.4177179-99000111.8L55 D56 A62 T63 R93 L94L55-Y59 WeakPolarHBondContact O-CB 3.34Å; L55-Y59 PolarHBondContact O-N 3.34Å; D56-Y59 PolarHBondContact O-N 2.68Å; Y59-A62 PolarHBondContact O-N 2.96Å; Y59-T63 HydrophobicContact CD1-CG2 4.48Å; Y59-T63 HydrophobicContact CD2-CG2 4.15Å; Y59-T63 HydrophobicContact CE1-CG2 4.05Å; Y59-T63 HydrophobicContact CE2-CG2 3.69Å; Y59-T63 WeakPolarHBondContact O-CG2 3.26Å; Y59-T63 PolarHBondContact O-N 3.4Å; Y59-T63 PolarHBondContact O-OG1 2.86Å; Y59-R93 HydrophobicContact CD2-CB 4.12Å; Y59-R93 HydrophobicContact CD2-CG 3.72Å; Y59-R93 HydrophobicContact CE2-CB 4.48Å; Y59-R93 HydrophobicContact CE2-CG 3.96Å; Y59-R93 WeakPolarHBondContact CE2-O 3.19Å; Y59-R93 HydrophobicContact CG-CG 4.15Å; Y59-L94 HydrophobicContact CD2-CD2 3.86Å; Y59-L94 HydrophobicContact CD2-CG 4.22Å; Y59-L94 HydrophobicContact CE2-CD2 3.75Å; Y59-L94 HydrophobicContact CE2-CG 4.33Å
60Y97.5Very high97.6Very high102 Ų10247 Ų4740%0.421%0.211SC..Hα-helixtrans-59.6-49.3174.7174.6-91.7000111.1D56 E57 L58 T63 S64D56-Y60 WeakPolarHBondContact O-CB 3.41Å; D56-Y60 PolarHBondContact O-N 2.74Å; E57-Y60 PolarHBondContact O-N 3.39Å; L58-Y60 VanDerWaalsContact C-N 3.34Å; Y60-T63 PolarHBondContact O-N 2.9Å; Y60-T63 PolarHBondContact O-OG1 3.05Å; Y60-S64 WeakPolarHBondContact O-CA 3.33Å; Y60-S64 WeakPolarHBondContact O-CB 3.31Å; Y60-S64 PolarHBondContact O-N 3.48Å; Y60-S64 PolarHBondContact O-OG 3.31Å
61V98.3Very high97.5Very high0 Ų048.8 Ų48.80%022%0.223CC..Iπ-helixtrans-62.7-45.2177.6173.10000111.2E57 L58 T63 E65 I66 L169 H191 L193E57-V61 WeakPolarHBondContact O-CG2 3.25Å; E57-V61 PolarHBondContact O-N 2.83Å; L58-V61 PolarHBondContact O-N 3.4Å; V61-T63 PolarHBondContact O-N 3.31Å; V61-E65 HydrophobicContact CG1-CB 4.3Å; V61-E65 WeakPolarHBondContact O-CA 3.15Å; V61-E65 WeakPolarHBondContact O-CB 3.44Å; V61-E65 PolarHBondContact O-N 3.47Å; V61-I66 HydrophobicContact CG1-CD1 4.34Å; V61-I66 PolarHBondContact O-N 2.98Å; V61-L169 HydrophobicContact CB-CD1 4.06Å; V61-L169 HydrophobicContact CG1-CD1 3.59Å; V61-H191 HydrophobicContact CG1-CB 3.71Å; V61-L193 HydrophobicContact CG2-CD2 3.69Å
62A98.6Very high97.4Very high0 Ų053.4 Ų53.40%024%0.24CC..Iπ-helixtrans-55.3-48.9177.700000112L58 Y59 I66 E67 I73 L94 L169L58-A62 VanDerWaalsContact O-CB 3.32Å; L58-A62 WeakPolarHBondContact O-CB 3.33Å; L58-A62 PolarHBondContact O-N 2.97Å; Y59-A62 PolarHBondContact O-N 2.96Å; A62-I66 WeakPolarHBondContact O-CB 3.32Å; A62-E67 WeakPolarHBondContact O-CG 3.09Å; A62-E67 PolarHBondContact O-N 3.49Å; A62-I73 HydrophobicContact CB-CD1 3.85Å; A62-L94 HydrophobicContact CB-CD1 4.29Å; A62-L94 HydrophobicContact CB-CD2 4.15Å; A62-L169 HydrophobicContact CB-CD2 4.24Å
63T98Very high97.5Very high30 Ų3050.7 Ų50.718%0.18423%0.228CC..Iπ-helixtrans-85.3-42.1-174.554.80000113.6Y59 Y60 V61 R68 L94Y59-T63 HydrophobicContact CD1-CG2 4.48Å; Y59-T63 HydrophobicContact CD2-CG2 4.15Å; Y59-T63 HydrophobicContact CE1-CG2 4.05Å; Y59-T63 HydrophobicContact CE2-CG2 3.69Å; Y59-T63 WeakPolarHBondContact O-CG2 3.26Å; Y59-T63 PolarHBondContact O-N 3.4Å; Y59-T63 PolarHBondContact O-OG1 2.86Å; Y60-T63 PolarHBondContact O-N 2.9Å; Y60-T63 PolarHBondContact O-OG1 3.05Å; V61-T63 PolarHBondContact O-N 3.31Å; T63-R68 PolarHBondContact O-N 2.84Å; T63-L94 HydrophobicContact CG2-CD2 3.83Å
64S96.8Very high97.5Very high44 Ų4451.9 Ų51.931%0.30824%0.236SC..Iπ-helixtrans-91.8-22.9-169.8-57.10000113.6Y60 R68Y60-S64 WeakPolarHBondContact O-CA 3.33Å; Y60-S64 WeakPolarHBondContact O-CB 3.31Å; Y60-S64 PolarHBondContact O-N 3.48Å; Y60-S64 PolarHBondContact O-OG 3.31Å; S64-R68 VanDerWaalsContact O-CB 3.31Å; S64-R68 WeakPolarHBondContact O-CB 3.33Å; S64-R68 WeakPolarHBondContact O-CD 3.41Å
65E97.4Very high97.6Very high63 Ų6352.1 Ų52.129%0.29424%0.237SC..Iπ-helixtrans-110.5-49.3-179.4-55-178.3-167.700111.1R14 V61 K69 H191R14-E65 IonicContact CZ-OE1 3.33Å; R14-E65 IonicContact NH1-OE1 3.25Å; R14-E65 PolarHBondContact NH1-OE1 2.94Å; R14-E65 VanDerWaalsContact NH1-OE1 3.13Å; R14-E65 IonicContact NH2-OE1 2.9Å; R14-E65 PolarHBondContact NH2-OE1 3.4Å; V61-E65 HydrophobicContact CG1-CB 4.3Å; V61-E65 WeakPolarHBondContact O-CA 3.15Å; V61-E65 WeakPolarHBondContact O-CB 3.44Å; V61-E65 PolarHBondContact O-N 3.47Å; E65-K69 WeakPolarHBondContact O-CB 3.29Å; E65-H191 IonicContact OE2-CD2 3.6Å
66I98.1Very high97.6Very high0 Ų051.2 Ų51.20%023%0.232CC..Iπ-helixtrans-78.5-63-178-60.6167.3000111.3V61 A62 R68 K69 F70 I73 V139 L166 L169 H191V61-I66 HydrophobicContact CG1-CD1 4.34Å; V61-I66 PolarHBondContact O-N 2.98Å; A62-I66 WeakPolarHBondContact O-CB 3.32Å; I66-R68 PolarHBondContact O-N 3.18Å; I66-K69 PolarHBondContact O-N 3.36Å; I66-F70 HydrophobicContact CG2-CD2 4.08Å; I66-F70 VanDerWaalsContact O-CD2 3.29Å; I66-F70 WeakPolarHBondContact O-CD2 3.36Å; I66-F70 PolarHBondContact O-N 3.27Å; I66-I73 HydrophobicContact CB-CD1 4.4Å; I66-I73 HydrophobicContact CG2-CD1 4.07Å; I66-I73 HydrophobicContact CG2-CG1 4.38Å; I66-V139 HydrophobicContact CD1-CG2 4.13Å; I66-L166 HydrophobicContact CG2-CB 3.99Å; I66-L166 HydrophobicContact CG2-CD1 4.44Å; I66-L169 HydrophobicContact CD1-CB 4.32Å; I66-H191 HydrophobicContact CD1-CB 4.47Å
67E97.9Very high97.6Very high42 Ų4249.2 Ų49.220%0.19622%0.222CC..Iπ-helixtrans-60.9-36.1-175.8-69.1-173.7153.600112.4A62 K69 F70 T71 K72 I73A62-E67 WeakPolarHBondContact O-CG 3.09Å; A62-E67 PolarHBondContact O-N 3.49Å; E67-K69 VanDerWaalsContact C-N 3.29Å; E67-K69 PolarHBondContact O-N 2.93Å; E67-F70 CarbonylContact O-C 3.53Å; E67-F70 PolarHBondContact O-N 3.49Å; E67-T71 WeakPolarHBondContact CA-O 3.32Å; E67-T71 PolarHBondContact O-N 2.94Å; E67-K72 WeakPolarHBondContact OE1-CA 3.34Å; E67-K72 WeakPolarHBondContact OE1-CG 3.22Å; E67-I73 HydrophobicContact CG-CB 4.36Å; E67-I73 HydrophobicContact CG-CD1 3.93Å; E67-I73 HydrophobicContact CG-CG1 3.85Å; E67-I73 PolarHBondContact OE1-N 3.14Å
68R95.2Very high97.7Very high216 Ų21649.2 Ų49.282%0.81522%0.222SC*.Hα-helixtrans-61.9-34.5176.9-167.5178.7-167.7-166.73.6113.4T63 S64 I66T63-R68 PolarHBondContact O-N 2.84Å; S64-R68 VanDerWaalsContact O-CB 3.31Å; S64-R68 WeakPolarHBondContact O-CB 3.33Å; S64-R68 WeakPolarHBondContact O-CD 3.41Å; I66-R68 PolarHBondContact O-N 3.18Å
69K95.8Very high97.6Very high150 Ų15049.6 Ų49.665%0.65222%0.224SC*.Hα-helixtrans-87.4-29.3-179.1-177173.4177.2-179.50112.4E65 I66 E67E65-K69 WeakPolarHBondContact O-CB 3.29Å; I66-K69 PolarHBondContact O-N 3.36Å; E67-K69 VanDerWaalsContact C-N 3.29Å; E67-K69 PolarHBondContact O-N 2.93Å
70F95.5Very high97.2Very high65 Ų6548 Ų4829%0.28522%0.219SC..SBendtrans-116.5-99.7-174.9-57-72.8000111.1I66 E67 L166 P189I66-F70 HydrophobicContact CG2-CD2 4.08Å; I66-F70 VanDerWaalsContact O-CD2 3.29Å; I66-F70 WeakPolarHBondContact O-CD2 3.36Å; I66-F70 PolarHBondContact O-N 3.27Å; E67-F70 CarbonylContact O-C 3.53Å; E67-F70 PolarHBondContact O-N 3.49Å; F70-L166 HydrophobicContact CB-CD1 4.23Å; F70-L166 HydrophobicContact CB-CD2 4.06Å; F70-L166 HydrophobicContact CD2-CB 4.47Å; F70-P189 HydrophobicContact CE2-CG 4.11Å; F70-P189 HydrophobicContact CZ-CB 4.46Å; F70-P189 HydrophobicContact CZ-CG 3.61Å
71T96.1Very high96.9Very high57 Ų5746.7 Ų46.735%0.3523%0.225SC..  trans-155.9174.6-179.3-173.10000108.4E67 I73 N137 L166E67-T71 WeakPolarHBondContact CA-O 3.32Å; E67-T71 PolarHBondContact O-N 2.94Å; T71-I73 PolarHBondContact O-N 2.88Å; T71-N137 HydrophobicContact CG2-CB 4.12Å; T71-N137 VanDerWaalsContact CG2-CG 3.43Å; T71-N137 WeakPolarHBondContact CG2-ND2 3.49Å; T71-N137 WeakPolarHBondContact CG2-OD1 3.24Å; T71-L166 HydrophobicContact CG2-CD1 3.89Å; T71-L166 HydrophobicContact CG2-CD2 3.89Å; T71-L166 WeakPolarHBondContact O-CD1 3.41Å
72K97.6Very high96.6Very high129 Ų12950.3 Ų50.356%0.56124%0.239SC*.  trans-57.9131.3178.4-172.5176.5179.2-179.60111.6E67 N137E67-K72 WeakPolarHBondContact OE1-CA 3.34Å; E67-K72 WeakPolarHBondContact OE1-CG 3.22Å; K72-N137 WeakPolarHBondContact O-CB 3.46Å
73I98.6Very high96.5Very high0 Ų050.3 Ų50.30%024%0.239CC..  trans-72.7127.9169.9-64.9160.4000107.4A62 I66 E67 T71 L94 V139 L166A62-I73 HydrophobicContact CB-CD1 3.85Å; I66-I73 HydrophobicContact CB-CD1 4.4Å; I66-I73 HydrophobicContact CG2-CD1 4.07Å; I66-I73 HydrophobicContact CG2-CG1 4.38Å; E67-I73 HydrophobicContact CG-CB 4.36Å; E67-I73 HydrophobicContact CG-CD1 3.93Å; E67-I73 HydrophobicContact CG-CG1 3.85Å; E67-I73 PolarHBondContact OE1-N 3.14Å; T71-I73 PolarHBondContact O-N 2.88Å; I73-L94 HydrophobicContact CB-CD1 4.47Å; I73-L94 HydrophobicContact CD1-CD1 4.41Å; I73-L94 HydrophobicContact CG2-CD1 4.06Å; I73-V139 HydrophobicContact CD1-CB 4.02Å; I73-V139 HydrophobicContact CD1-CG1 4.21Å; I73-V139 HydrophobicContact CG1-CB 4.31Å; I73-V139 HydrophobicContact CG2-CB 4.13Å; I73-V139 HydrophobicContact CG2-CG1 3.71Å; I73-L166 HydrophobicContact CG1-CD1 3.97Å
74N98.1Very high96.4Very high49 Ų4951.1 Ų51.126%0.26224%0.24SC..  trans-122.90.1178.372-1.5000113.4C96 P97 D136 N137N74-C96 VanDerWaalsContact O-CB 3.29Å; N74-C96 WeakPolarHBondContact O-CB 3.46Å; N74-P97 VanDerWaalsContact O-CD 3.28Å; N74-P97 WeakPolarHBondContact O-CD 3.25Å; N74-D136 WeakPolarHBondContact OD1-CA 3.49Å; N74-N137 PolarHBondContact N-O 3Å; N74-N137 PolarHBondContact OD1-N 3.47Å; N74-N137 PolarHBondContact OD1-O 3.35Å
75V98.8Very high96.4Very high4 Ų452.1 Ų52.12%0.02424%0.241CC..EExtended strand (participates in β ladder)trans-148.6136.6168.4-176.30000109.7V77 V99 L132 D136 N137 V138 V139V75-V77 HydrophobicContact CG1-CG2 4.16Å; V75-V99 HydrophobicContact CG1-CB 4.22Å; V75-V99 HydrophobicContact CG1-CG2 3.75Å; V75-L132 HydrophobicContact CB-CD2 4.28Å; V75-L132 HydrophobicContact CG1-CD2 3.72Å; V75-L132 HydrophobicContact CG2-CD2 4.28Å; V75-D136 HydrophobicContact CG2-CB 3.98Å; V75-N137 PolarHBondContact N-O 2.79Å; V75-V138 HydrophobicContact CB-CG2 4.29Å; V75-V138 WeakPolarHBondContact O-CA 3.43Å; V75-V139 PolarHBondContact O-N 3.48Å
76V98.9Very high96.5Very high0 Ų049.5 Ų49.50%023%0.229CC..EExtended strand (participates in β ladder)trans-99.3120.8165.2179.20000108.4L90 A91 L94 P97 F98 V99 V139 F141V76-L90 HydrophobicContact CG2-CG 4.38Å; V76-A91 HydrophobicContact CB-CB 3.86Å; V76-A91 HydrophobicContact CG2-CB 3.76Å; V76-L94 HydrophobicContact CG2-CD1 3.89Å; V76-P97 PolarHBondContact N-O 2.91Å; V76-F98 HydrophobicContact CB-CD2 4.25Å; V76-F98 HydrophobicContact CG1-CD2 4.06Å; V76-F98 HydrophobicContact CG1-CE2 4.34Å; V76-F98 WeakPolarHBondContact O-CA 3.21Å; V76-V99 PolarHBondContact O-N 2.98Å; V76-V139 HydrophobicContact CB-CG1 4.2Å; V76-V139 HydrophobicContact CG1-CG1 4.22Å; V76-V139 HydrophobicContact CG2-CG1 3.73Å; V76-F141 HydrophobicContact CG1-CB 3.96Å; V76-F141 HydrophobicContact CG1-CG 4.49Å
77V98.8Very high96.5Very high0 Ų049.5 Ų49.50%023%0.229CC..EExtended strand (participates in β ladder)trans-101.2115.5171.7177.80000108.9V75 V99 I101 L132 V138 V139 L140 F141 I158V75-V77 HydrophobicContact CG1-CG2 4.16Å; V77-V99 CarbonylContact C-O 3.52Å; V77-V99 VanDerWaalsContact CA-O 3.26Å; V77-V99 WeakPolarHBondContact CA-O 3.19Å; V77-V99 HydrophobicContact CG2-CB 4.12Å; V77-V99 HydrophobicContact CG2-CG1 4.46Å; V77-I101 HydrophobicContact CG1-CD1 3.59Å; V77-I101 HydrophobicContact CG1-CG1 3.69Å; V77-L132 HydrophobicContact CG2-CD1 4.09Å; V77-L132 HydrophobicContact CG2-CD2 4.06Å; V77-V138 HydrophobicContact CB-CG1 3.76Å; V77-V138 HydrophobicContact CG2-CB 4.44Å; V77-V138 HydrophobicContact CG2-CG1 3.42Å; V77-V138 VanDerWaalsContact CG2-CG1 3.42Å; V77-V138 HydrophobicContact CG2-CG2 4.13Å; V77-V139 PolarHBondContact N-O 3.47Å; V77-L140 HydrophobicContact CB-CD1 4.38Å; V77-L140 HydrophobicContact CG1-CD1 4.12Å; V77-L140 CarbonylContact O-C 3.57Å; V77-F141 PolarHBondContact O-N 3.43Å; V77-I158 HydrophobicContact CB-CD1 4.04Å; V77-I158 HydrophobicContact CG1-CD1 3.92Å; V77-I158 HydrophobicContact CG1-CG1 4.23Å; V77-I158 HydrophobicContact CG2-CD1 4.21Å; V77-I158 HydrophobicContact CG2-CG1 4.35Å
78G98.5Very high96.5Very high0 Ų050.3 Ų50.30%024%0.238CC..EExtended strand (participates in β ladder)trans-96.2141.3178.300000112.3F84 V99 I101 F141G78-F84 WeakPolarHBondContact O-CE1 3.26Å; G78-V99 PolarHBondContact N-O 3.46Å; G78-I101 PolarHBondContact O-N 3.21Å; G78-F141 WeakPolarHBondContact CA-O 3.45Å
79L97.5Very high96.7Very high8 Ų841.7 Ų41.74%0.04221%0.213CC..EExtended strand (participates in β ladder)trans-87.4135.1169.1-61-179000111.4G83 I101 L140 F141 D142 S150 L151L79-G83 VanDerWaalsContact O-CA 3.3Å; L79-G83 WeakPolarHBondContact O-CA 3.44Å; L79-G83 PolarHBondContact O-N 3.23Å; L79-G83 VanDerWaalsContact O-N 3.17Å; L79-I101 HydrophobicContact CD2-CB 3.89Å; L79-I101 HydrophobicContact CD2-CD1 3.9Å; L79-I101 HydrophobicContact CD2-CG1 4.41Å; L79-I101 HydrophobicContact CD2-CG2 3.97Å; L79-L140 HydrophobicContact CD1-CD1 4.36Å; L79-L140 HydrophobicContact CD2-CD1 3.87Å; L79-L140 HydrophobicContact CG-CD1 3.89Å; L79-F141 PolarHBondContact N-O 3.09Å; L79-D142 HydrophobicContact CB-CB 4.12Å; L79-D142 HydrophobicContact CD1-CB 4.1Å; L79-D142 HydrophobicContact CG-CB 4.38Å; L79-S150 WeakPolarHBondContact CD1-O 3.21Å; L79-L151 HydrophobicContact CD1-CD1 4.17Å; L79-L151 HydrophobicContact CD1-CG 4.13Å
80E90Very high96.8Very high48 Ų4834.6 Ų34.622%0.22418%0.182CC..THydrogen-bonded Turntrans-64.2142.6176.5-179.7175.4-122.200112.1F84 I101 R102 K103E80-F84 HydrophobicContact CB-CE1 4.33Å; E80-F84 HydrophobicContact CB-CE2 3.9Å; E80-F84 HydrophobicContact CB-CZ 3.62Å; E80-F84 HydrophobicContact CG-CE2 4.01Å; E80-F84 HydrophobicContact CG-CZ 4.26Å; E80-I101 WeakPolarHBondContact CB-O 3.45Å; E80-I101 PolarHBondContact N-O 2.94Å; E80-R102 HydrophobicContact CB-CB 4.44Å; E80-R102 HydrophobicContact CB-CG 4.42Å; E80-R102 IonicContact OE1-CZ 3.2Å; E80-R102 IonicContact OE1-NE 2.84Å; E80-R102 PolarHBondContact OE1-NE 3.13Å; E80-R102 IonicContact OE1-NH2 2.74Å; E80-R102 PolarHBondContact OE1-NH2 2.65Å; E80-K103 WeakPolarHBondContact OE2-CB 3.33Å; E80-K103 WeakPolarHBondContact OE2-CG 3.44Å; E80-K103 PolarHBondContact OE2-N 3.41Å
81S89.6Confident97Very high75 Ų7531.6 Ų31.652%0.52417%0.169SC..THydrogen-bonded Turncis-102.5-20-11.1-570000112.3F84S81-F84 VanDerWaalsContact O-CB 3.28Å; S81-F84 WeakPolarHBondContact O-CB 3.41Å; S81-F84 PolarHBondContact O-N 3.27Å; S81-F84 VanDerWaalsContact O-N 3.11Å
82R93.6Very high97.1Very high76 Ų7635.6 Ų35.629%0.28719%0.188SC..G310 helixtrans-81.2-27.2-169.9-64.3179.6-57173.37.2112.3F38 F84 L85 D143F38-R82 VanDerWaalsContact CZ-NH1 3.35Å; R82-F84 PolarHBondContact O-N 3.29Å; R82-F84 VanDerWaalsContact O-N 3.1Å; R82-L85 HydrophobicContact CB-CD1 4.08Å; R82-L85 HydrophobicContact CG-CD1 4.29Å; R82-L85 VanDerWaalsContact O-CB 3.31Å; R82-L85 WeakPolarHBondContact O-CB 3.13Å; R82-L85 WeakPolarHBondContact O-CG 3.42Å; R82-L85 PolarHBondContact O-N 3.18Å; R82-D143 HydrophobicContact CB-CB 3.92Å; R82-D143 WeakPolarHBondContact CB-OD1 3.45Å; R82-D143 WeakPolarHBondContact CB-OD2 3.22Å; R82-D143 WeakPolarHBondContact CD-OD2 3.32Å; R82-D143 IonicContact CZ-OD1 3.96Å; R82-D143 VanDerWaalsContact CZ-OD1 3.25Å; R82-D143 IonicContact CZ-OD2 2.99Å; R82-D143 IonicContact NE-OD1 3.11Å; R82-D143 PolarHBondContact NE-OD1 3.41Å; R82-D143 VanDerWaalsContact NE-OD1 3.12Å; R82-D143 IonicContact NE-OD2 3.69Å; R82-D143 PolarHBondContact NE-OD2 2.9Å; R82-D143 IonicContact NH1-OD2 3.98Å; R82-D143 PolarHBondContact NH1-OD2 3.47Å; R82-D143 IonicContact NH2-OD1 3.34Å; R82-D143 PolarHBondContact NH2-OD1 2.81Å; R82-D143 IonicContact NH2-OD2 2.72Å
83G95.4Very high97.1Very high0 Ų034.6 Ų34.60%018%0.181CC..G310 helixtrans-57.5-17.8162.500000113.9L79 G87 F141 D142L79-G83 VanDerWaalsContact O-CA 3.3Å; L79-G83 WeakPolarHBondContact O-CA 3.44Å; L79-G83 PolarHBondContact O-N 3.23Å; L79-G83 VanDerWaalsContact O-N 3.17Å; G83-G87 VanDerWaalsContact O-CA 3.3Å; G83-G87 WeakPolarHBondContact O-CA 3.3Å; G83-G87 PolarHBondContact O-N 3.16Å; G83-F141 WeakPolarHBondContact O-CD1 3.47Å; G83-F141 WeakPolarHBondContact O-CE1 3.22Å; G83-D142 PolarHBondContact N-OD1 3.45Å
84F97.3Very high97.1Very high48 Ų4835.1 Ų35.121%0.21118%0.183CC..G310 helixtrans-84.4-12.8177.1-55.1-9.8000113G78 E80 S81 R82 L86 P88 F98 P100 R102G78-F84 WeakPolarHBondContact O-CE1 3.26Å; E80-F84 HydrophobicContact CB-CE1 4.33Å; E80-F84 HydrophobicContact CB-CE2 3.9Å; E80-F84 HydrophobicContact CB-CZ 3.62Å; E80-F84 HydrophobicContact CG-CE2 4.01Å; E80-F84 HydrophobicContact CG-CZ 4.26Å; S81-F84 VanDerWaalsContact O-CB 3.28Å; S81-F84 WeakPolarHBondContact O-CB 3.41Å; S81-F84 PolarHBondContact O-N 3.27Å; S81-F84 VanDerWaalsContact O-N 3.11Å; R82-F84 PolarHBondContact O-N 3.29Å; R82-F84 VanDerWaalsContact O-N 3.1Å; F84-L86 VanDerWaalsContact C-N 3.29Å; F84-L86 PolarHBondContact O-N 3.02Å; F84-P88 VanDerWaalsContact O-CD 3.25Å; F84-P88 WeakPolarHBondContact O-CD 3.34Å; F84-F98 HydrophobicContact CD1-CE1 4.26Å; F84-F98 AromaticContact CD1-CZ 3.62Å; F84-F98 HydrophobicContact CD1-CZ 3.62Å; F84-F98 HydrophobicContact CE1-CE1 4.43Å; F84-F98 AromaticContact CE1-CZ 3.92Å; F84-F98 HydrophobicContact CE1-CZ 3.92Å; F84-F98 HydrophobicContact CG-CZ 4.44Å; F84-P100 HydrophobicContact CE1-CB 3.89Å; F84-P100 HydrophobicContact CE2-CB 4.37Å; F84-P100 HydrophobicContact CZ-CB 3.59Å; F84-R102 HydrophobicContact CE2-CG 4.21Å; F84-R102 HydrophobicContact CZ-CG 3.91Å
85L96.9Very high97.2Very high65 Ų6539.4 Ų39.434%0.3421%0.206SC..THydrogen-bonded Turntrans-63.9-36.9-178.6-64.3171.3000111.6F42 F45 R82F42-L85 HydrophobicContact CE1-CD2 4.2Å; F45-L85 HydrophobicContact CD2-CD1 4.32Å; F45-L85 HydrophobicContact CE1-CB 4.29Å; F45-L85 HydrophobicContact CE2-CB 4.06Å; F45-L85 HydrophobicContact CE2-CD1 3.62Å; F45-L85 HydrophobicContact CE2-CG 4.36Å; F45-L85 HydrophobicContact CZ-CB 3.71Å; F45-L85 HydrophobicContact CZ-CD1 4.14Å; F45-L85 HydrophobicContact CZ-CG 4.49Å; R82-L85 HydrophobicContact CB-CD1 4.08Å; R82-L85 HydrophobicContact CG-CD1 4.29Å; R82-L85 VanDerWaalsContact O-CB 3.31Å; R82-L85 WeakPolarHBondContact O-CB 3.13Å; R82-L85 WeakPolarHBondContact O-CG 3.42Å; R82-L85 PolarHBondContact O-N 3.18Å
86L98.2Very high97.1Very high8 Ų840.2 Ų40.24%0.04221%0.212CC..THydrogen-bonded Turntrans-130.4-7.3176.4-73179.3000114.8F45 T51 L54 L58 F84 A89 L90 F141 F171F45-L86 HydrophobicContact CE1-CD1 3.88Å; F45-L86 HydrophobicContact CE1-CD2 4.07Å; F45-L86 HydrophobicContact CE1-CG 3.7Å; F45-L86 HydrophobicContact CZ-CD1 4.12Å; F45-L86 HydrophobicContact CZ-CG 4.04Å; T51-L86 HydrophobicContact CG2-CD2 4.21Å; L54-L86 HydrophobicContact CB-CD1 4.21Å; L54-L86 HydrophobicContact CD2-CD1 3.49Å; L54-L86 VanDerWaalsContact CD2-CD1 3.49Å; L54-L86 HydrophobicContact CG-CD1 3.53Å; L58-L86 HydrophobicContact CD1-CB 4.32Å; L58-L86 HydrophobicContact CD1-CD1 3.83Å; F84-L86 VanDerWaalsContact C-N 3.29Å; F84-L86 PolarHBondContact O-N 3.02Å; L86-A89 HydrophobicContact CD2-CB 4.24Å; L86-A89 PolarHBondContact O-N 3.21Å; L86-A89 VanDerWaalsContact O-N 3.14Å; L86-L90 WeakPolarHBondContact O-CB 3.31Å; L86-L90 PolarHBondContact O-N 3.04Å; L86-F141 HydrophobicContact CB-CE1 4.27Å; L86-F141 HydrophobicContact CB-CZ 3.91Å; L86-F171 HydrophobicContact CB-CE1 4.47Å; L86-F171 HydrophobicContact CB-CZ 4.14Å; L86-F171 HydrophobicContact CD1-CE1 4.09Å; L86-F171 HydrophobicContact CD1-CZ 3.8Å; L86-F171 HydrophobicContact CG-CZ 4.23Å
87G98.5Very high97.1Very high0 Ų044 Ų440%024%0.237CC..Hα-helixtrans-55-50.8179.400000113.3G83 A89 L90 A91 F98G83-G87 VanDerWaalsContact O-CA 3.3Å; G83-G87 WeakPolarHBondContact O-CA 3.3Å; G83-G87 PolarHBondContact O-N 3.16Å; G87-A89 VanDerWaalsContact C-N 3.35Å; G87-A89 PolarHBondContact O-N 3.27Å; G87-L90 PolarHBondContact O-N 3.1Å; G87-A91 WeakPolarHBondContact O-CB 3.41Å; G87-A91 PolarHBondContact O-N 2.99Å; G87-F98 VanDerWaalsContact C-CD2 3.5Å
88P98.5Very high97.1Very high59 Ų5946.7 Ų46.738%0.38325%0.248SC..Hα-helixtrans-62-37.6175.2-25.135.1000113.8F84 A91 L92 F98F84-P88 VanDerWaalsContact O-CD 3.25Å; F84-P88 WeakPolarHBondContact O-CD 3.34Å; P88-A91 PolarHBondContact O-N 3.31Å; P88-L92 WeakPolarHBondContact O-CB 3.42Å; P88-L92 PolarHBondContact O-N 3.17Å; P88-F98 HydrophobicContact CB-CG 4.43Å; P88-F98 HydrophobicContact CG-CD1 3.98Å; P88-F98 HydrophobicContact CG-CD2 4.26Å; P88-F98 HydrophobicContact CG-CE1 4.01Å; P88-F98 HydrophobicContact CG-CE2 4.29Å; P88-F98 HydrophobicContact CG-CG 4.11Å; P88-F98 HydrophobicContact CG-CZ 4.17Å
89A98.6Very high97.1Very high35 Ų3547.2 Ų47.229%0.28925%0.251SS..Hα-helixtrans-68.6-39.3178.600000111.8L55 L86 G87 R93L55-A89 HydrophobicContact CD1-CB 4.12Å; L55-A89 HydrophobicContact CD2-CB 4.03Å; L86-A89 HydrophobicContact CD2-CB 4.24Å; L86-A89 PolarHBondContact O-N 3.21Å; L86-A89 VanDerWaalsContact O-N 3.14Å; G87-A89 VanDerWaalsContact C-N 3.35Å; G87-A89 PolarHBondContact O-N 3.27Å; A89-R93 WeakPolarHBondContact O-CB 3.33Å; A89-R93 PolarHBondContact O-N 2.9Å
90L98.8Very high97.1Very high0 Ų048.4 Ų48.40%026%0.26CS..Hα-helixtrans-64.8-45.6173.3179.161.8000111.1L55 L58 V76 L86 G87 L92 R93 L94 F141 L169L55-L90 HydrophobicContact CD1-CB 4.14Å; L58-L90 HydrophobicContact CB-CD1 4.24Å; V76-L90 HydrophobicContact CG2-CG 4.38Å; L86-L90 WeakPolarHBondContact O-CB 3.31Å; L86-L90 PolarHBondContact O-N 3.04Å; G87-L90 PolarHBondContact O-N 3.1Å; L90-L92 VanDerWaalsContact C-N 3.34Å; L90-L92 PolarHBondContact O-N 3.11Å; L90-R93 PolarHBondContact O-N 3.05Å; L90-R93 VanDerWaalsContact O-N 3.13Å; L90-L94 HydrophobicContact CD1-CD1 3.99Å; L90-L94 HydrophobicContact CD1-CG 4.22Å; L90-L94 HydrophobicContact CG-CD1 3.89Å; L90-L94 WeakPolarHBondContact O-CG 3.44Å; L90-L94 PolarHBondContact O-N 2.72Å; L90-F141 HydrophobicContact CD2-CD2 3.86Å; L90-F141 HydrophobicContact CD2-CE2 3.94Å; L90-L169 HydrophobicContact CD2-CD2 3.91Å
91A98.8Very high97.5Very high2 Ų246.2 Ų46.22%0.01725%0.25CC..Hα-helixtrans-58.9-45.7176.900000111.8V76 G87 P88 R93 L94 N95 C96 F98V76-A91 HydrophobicContact CB-CB 3.86Å; V76-A91 HydrophobicContact CG2-CB 3.76Å; G87-A91 WeakPolarHBondContact O-CB 3.41Å; G87-A91 PolarHBondContact O-N 2.99Å; P88-A91 PolarHBondContact O-N 3.31Å; A91-R93 VanDerWaalsContact C-N 3.3Å; A91-R93 PolarHBondContact O-N 2.99Å; A91-L94 CarbonylContact O-C 3.57Å; A91-L94 PolarHBondContact O-N 2.87Å; A91-N95 PolarHBondContact O-N 2.86Å; A91-C96 CarbonylContact C-O 3.57Å; A91-C96 PolarHBondContact O-N 2.76Å; A91-F98 HydrophobicContact CB-CB 3.77Å; A91-F98 HydrophobicContact CB-CD2 4.46Å
92L98.7Very high97.9Very high141 Ų14146.6 Ų46.674%0.73824%0.239SC*.Hα-helixtrans-58.5-42.2174.9-179.263.5000111.5P88 L90 N95P88-L92 WeakPolarHBondContact O-CB 3.42Å; P88-L92 PolarHBondContact O-N 3.17Å; L90-L92 VanDerWaalsContact C-N 3.34Å; L90-L92 PolarHBondContact O-N 3.11Å; L92-N95 PolarHBondContact O-N 2.96Å; L92-N95 VanDerWaalsContact O-N 3.11Å
93R98.2Very high98Very high109 Ų10948.9 Ų48.941%0.41125%0.251SS..Hα-helixtrans-73.4-29.9-179.2-159.7156.1179.7135.8-14.8113.6D56 Y59 A89 L90 A91D56-R93 IonicContact OD1-CZ 3.21Å; D56-R93 IonicContact OD1-NE 3.84Å; D56-R93 IonicContact OD1-NH1 3.68Å; D56-R93 IonicContact OD1-NH2 2.7Å; D56-R93 PolarHBondContact OD1-NH2 2.97Å; Y59-R93 HydrophobicContact CD2-CB 4.12Å; Y59-R93 HydrophobicContact CD2-CG 3.72Å; Y59-R93 HydrophobicContact CE2-CB 4.48Å; Y59-R93 HydrophobicContact CE2-CG 3.96Å; Y59-R93 WeakPolarHBondContact CE2-O 3.19Å; Y59-R93 HydrophobicContact CG-CG 4.15Å; A89-R93 WeakPolarHBondContact O-CB 3.33Å; A89-R93 PolarHBondContact O-N 2.9Å; L90-R93 PolarHBondContact O-N 3.05Å; L90-R93 VanDerWaalsContact O-N 3.13Å; A91-R93 VanDerWaalsContact C-N 3.3Å; A91-R93 PolarHBondContact O-N 2.99Å
94L98.6Very high98Very high11 Ų1151 Ų516%0.05827%0.269CS..Hα-helixtrans-78.8-6.3169.2-68.7169.4000112.8Y59 A62 T63 I73 V76 L90 A91Y59-L94 HydrophobicContact CD2-CD2 3.86Å; Y59-L94 HydrophobicContact CD2-CG 4.22Å; Y59-L94 HydrophobicContact CE2-CD2 3.75Å; Y59-L94 HydrophobicContact CE2-CG 4.33Å; A62-L94 HydrophobicContact CB-CD1 4.29Å; A62-L94 HydrophobicContact CB-CD2 4.15Å; T63-L94 HydrophobicContact CG2-CD2 3.83Å; I73-L94 HydrophobicContact CB-CD1 4.47Å; I73-L94 HydrophobicContact CD1-CD1 4.41Å; I73-L94 HydrophobicContact CG2-CD1 4.06Å; V76-L94 HydrophobicContact CG2-CD1 3.89Å; L90-L94 HydrophobicContact CD1-CD1 3.99Å; L90-L94 HydrophobicContact CD1-CG 4.22Å; L90-L94 HydrophobicContact CG-CD1 3.89Å; L90-L94 WeakPolarHBondContact O-CG 3.44Å; L90-L94 PolarHBondContact O-N 2.72Å; A91-L94 CarbonylContact O-C 3.57Å; A91-L94 PolarHBondContact O-N 2.87Å
95N98.3Very high98Very high138 Ų13851.7 Ų51.774%0.73829%0.29SS*.THydrogen-bonded Turntrans54.351.9-174.4-171.340000112.3A91 L92A91-N95 PolarHBondContact O-N 2.86Å; L92-N95 PolarHBondContact O-N 2.96Å; L92-N95 VanDerWaalsContact O-N 3.11Å
96C98.6Very high98Very high21 Ų2154.9 Ų54.914%0.14230%0.301CS..SBendtrans-140.8162.3-179.7700000112.8N74 A91N74-C96 VanDerWaalsContact O-CB 3.29Å; N74-C96 WeakPolarHBondContact O-CB 3.46Å; A91-C96 CarbonylContact C-O 3.57Å; A91-C96 PolarHBondContact O-N 2.76Å
97P98.4Very high97.9Very high81 Ų8155.5 Ų55.553%0.52631%0.305SS..  trans-59.6148.7174.1-26.536.5000113.6N74 V76N74-P97 VanDerWaalsContact O-CD 3.28Å; N74-P97 WeakPolarHBondContact O-CD 3.25Å; V76-P97 PolarHBondContact N-O 2.91Å
98F98.7Very high97.8Very high56 Ų5659.8 Ų59.825%0.24633%0.332CS..EExtended strand (participates in β ladder)trans-105.5132.3166176.9-99.1000109.6V76 F84 G87 P88 A91 P100V76-F98 HydrophobicContact CB-CD2 4.25Å; V76-F98 HydrophobicContact CG1-CD2 4.06Å; V76-F98 HydrophobicContact CG1-CE2 4.34Å; V76-F98 WeakPolarHBondContact O-CA 3.21Å; F84-F98 HydrophobicContact CD1-CE1 4.26Å; F84-F98 AromaticContact CD1-CZ 3.62Å; F84-F98 HydrophobicContact CD1-CZ 3.62Å; F84-F98 HydrophobicContact CE1-CE1 4.43Å; F84-F98 AromaticContact CE1-CZ 3.92Å; F84-F98 HydrophobicContact CE1-CZ 3.92Å; F84-F98 HydrophobicContact CG-CZ 4.44Å; G87-F98 VanDerWaalsContact C-CD2 3.5Å; P88-F98 HydrophobicContact CB-CG 4.43Å; P88-F98 HydrophobicContact CG-CD1 3.98Å; P88-F98 HydrophobicContact CG-CD2 4.26Å; P88-F98 HydrophobicContact CG-CE1 4.01Å; P88-F98 HydrophobicContact CG-CE2 4.29Å; P88-F98 HydrophobicContact CG-CG 4.11Å; P88-F98 HydrophobicContact CG-CZ 4.17Å; A91-F98 HydrophobicContact CB-CB 3.77Å; A91-F98 HydrophobicContact CB-CD2 4.46Å; F98-P100 HydrophobicContact CE1-CB 4Å
99V98.4Very high97.7Very high10 Ų1059.8 Ų59.86%0.06134%0.343CS..EExtended strand (participates in β ladder)trans-122.7122.5177.5173.60000109.5V75 V76 V77 G78 I127 V131 L132V75-V99 HydrophobicContact CG1-CB 4.22Å; V75-V99 HydrophobicContact CG1-CG2 3.75Å; V76-V99 PolarHBondContact O-N 2.98Å; V77-V99 CarbonylContact C-O 3.52Å; V77-V99 VanDerWaalsContact CA-O 3.26Å; V77-V99 WeakPolarHBondContact CA-O 3.19Å; V77-V99 HydrophobicContact CG2-CB 4.12Å; V77-V99 HydrophobicContact CG2-CG1 4.46Å; G78-V99 PolarHBondContact N-O 3.46Å; V99-I127 HydrophobicContact CG1-CD1 3.77Å; V99-I127 HydrophobicContact CG1-CG1 3.93Å; V99-V131 HydrophobicContact CG1-CB 4.23Å; V99-V131 HydrophobicContact CG1-CG2 3.52Å; V99-V131 HydrophobicContact CG2-CB 4.29Å; V99-V131 HydrophobicContact CG2-CG2 4.37Å; V99-L132 HydrophobicContact CB-CD2 4.48Å; V99-L132 HydrophobicContact CG2-CD2 4.1Å
100P98.1Very high97.6Very high34 Ų3462.6 Ų62.622%0.22136%0.358CS..EExtended strand (participates in β ladder)trans-86137.2177.831.9-32.7000112.2F84 F98 R102 L107F84-P100 HydrophobicContact CE1-CB 3.89Å; F84-P100 HydrophobicContact CE2-CB 4.37Å; F84-P100 HydrophobicContact CZ-CB 3.59Å; F98-P100 HydrophobicContact CE1-CB 4Å; P100-R102 HydrophobicContact CB-CG 4.1Å; P100-L107 HydrophobicContact CG-CD2 3.96Å
101I98.3Very high97.6Very high2 Ų263.8 Ų63.81%0.0137%0.366CS..EExtended strand (participates in β ladder)trans-97.6127.9156.8-68.4179.3000107.9V77 G78 L79 E80 V125 E126 I127 L157 I158V77-I101 HydrophobicContact CG1-CD1 3.59Å; V77-I101 HydrophobicContact CG1-CG1 3.69Å; G78-I101 PolarHBondContact O-N 3.21Å; L79-I101 HydrophobicContact CD2-CB 3.89Å; L79-I101 HydrophobicContact CD2-CD1 3.9Å; L79-I101 HydrophobicContact CD2-CG1 4.41Å; L79-I101 HydrophobicContact CD2-CG2 3.97Å; E80-I101 WeakPolarHBondContact CB-O 3.45Å; E80-I101 PolarHBondContact N-O 2.94Å; I101-V125 HydrophobicContact CG2-CB 3.92Å; I101-V125 HydrophobicContact CG2-CG1 4.43Å; I101-V125 HydrophobicContact CG2-CG2 4.44Å; I101-E126 WeakPolarHBondContact CA-O 3.27Å; I101-I127 HydrophobicContact CD1-CD1 4.39Å; I101-I127 HydrophobicContact CG1-CB 4.11Å; I101-I127 HydrophobicContact CG1-CD1 4.05Å; I101-I127 HydrophobicContact CG1-CG1 4.26Å; I101-L157 HydrophobicContact CD1-CB 4.23Å; I101-L157 HydrophobicContact CD1-CD1 4.18Å; I101-L157 HydrophobicContact CG1-CD1 4.42Å; I101-L157 HydrophobicContact CG2-CD1 3.7Å; I101-I158 HydrophobicContact CD1-CD1 4.5Å; I101-I158 HydrophobicContact CD1-CG1 4.3Å
102R97.7Very high97.5Very high82 Ų8266.5 Ų66.531%0.30938%0.378SS..EExtended strand (participates in β ladder)trans-130.7164-176.8-54.7-168.968150.41.9112.2E80 F84 P100 K106 L107 V125 E126E80-R102 HydrophobicContact CB-CB 4.44Å; E80-R102 HydrophobicContact CB-CG 4.42Å; E80-R102 IonicContact OE1-CZ 3.2Å; E80-R102 IonicContact OE1-NE 2.84Å; E80-R102 PolarHBondContact OE1-NE 3.13Å; E80-R102 IonicContact OE1-NH2 2.74Å; E80-R102 PolarHBondContact OE1-NH2 2.65Å; F84-R102 HydrophobicContact CE2-CG 4.21Å; F84-R102 HydrophobicContact CZ-CG 3.91Å; P100-R102 HydrophobicContact CB-CG 4.1Å; R102-K106 HydrophobicContact CB-CB 3.93Å; R102-L107 HydrophobicContact CB-CD1 4.2Å; R102-L107 HydrophobicContact CB-CD2 4.43Å; R102-L107 HydrophobicContact CB-CG 3.97Å; R102-L107 HydrophobicContact CG-CD1 4.25Å; R102-L107 HydrophobicContact CG-CD2 3.84Å; R102-L107 HydrophobicContact CG-CG 3.93Å; R102-V125 CarbonylContact O-C 3.55Å; R102-V125 VanDerWaalsContact O-CA 3.27Å; R102-V125 WeakPolarHBondContact O-CA 3.49Å; R102-E126 PolarHBondContact N-O 3.17Å; R102-E126 PolarHBondContact O-N 3.25Å
103K95.4Very high97.4Very high124 Ų12462.7 Ų62.754%0.53936%0.363SS..EExtended strand (participates in β ladder)trans-56152.1166.6-71.9177.4-179-179.50111.2E80 G105 K106 I124E80-K103 WeakPolarHBondContact OE2-CB 3.33Å; E80-K103 WeakPolarHBondContact OE2-CG 3.44Å; E80-K103 PolarHBondContact OE2-N 3.41Å; K103-G105 PolarHBondContact O-N 2.92Å; K103-K106 HydrophobicContact CB-CG 4.35Å; K103-K106 VanDerWaalsContact O-CB 3.32Å; K103-K106 WeakPolarHBondContact O-CB 3.33Å; K103-K106 WeakPolarHBondContact O-CG 3.36Å; K103-K106 PolarHBondContact O-N 2.98Å; K103-I124 WeakPolarHBondContact CA-O 3.22Å
104A96.2Very high97.3Very high44 Ų4460.7 Ų60.736%0.36436%0.356SS..THydrogen-bonded Turntrans-53.2136.7-178.400000113.7K106 I124 E126A104-K106 VanDerWaalsContact C-N 3.28Å; A104-K106 PolarHBondContact O-N 3.34Å; A104-I124 HydrophobicContact CB-CB 3.86Å; A104-I124 HydrophobicContact CB-CG2 3.85Å; A104-I124 PolarHBondContact N-O 3.33Å; A104-E126 VanDerWaalsContact CA-CD 3.47Å; A104-E126 VanDerWaalsContact CA-OE2 3.26Å; A104-E126 WeakPolarHBondContact CA-OE2 3.35Å; A104-E126 HydrophobicContact CB-CG 4.11Å
105G96.1Very high97Very high64 Ų6465.7 Ų65.766%0.6638%0.377SS*.THydrogen-bonded Turntrans769.2179.900000114.8K103 E126K103-G105 PolarHBondContact O-N 2.92Å; G105-E126 PolarHBondContact N-OE2 3.37Å
106K97.1Very high96.4Very high131 Ų13160.9 Ų60.957%0.5735%0.349SS*.SBendtrans-100.2-2.3174.3-58.4-57-176.3-173.70113.9R102 K103 A104R102-K106 HydrophobicContact CB-CB 3.93Å; K103-K106 HydrophobicContact CB-CG 4.35Å; K103-K106 VanDerWaalsContact O-CB 3.32Å; K103-K106 WeakPolarHBondContact O-CB 3.33Å; K103-K106 WeakPolarHBondContact O-CG 3.36Å; K103-K106 PolarHBondContact O-N 2.98Å; A104-K106 VanDerWaalsContact C-N 3.28Å; A104-K106 PolarHBondContact O-N 3.34Å
107L96.7Very high95.6Very high22 Ų2266.3 Ų66.312%0.11537%0.372CS..SBendtrans-114142.8174-69.7171.5000110.3P100 R102 E126 Q128P100-L107 HydrophobicContact CG-CD2 3.96Å; R102-L107 HydrophobicContact CB-CD1 4.2Å; R102-L107 HydrophobicContact CB-CD2 4.43Å; R102-L107 HydrophobicContact CB-CG 3.97Å; R102-L107 HydrophobicContact CG-CD1 4.25Å; R102-L107 HydrophobicContact CG-CD2 3.84Å; R102-L107 HydrophobicContact CG-CG 3.93Å; L107-E126 HydrophobicContact CD1-CB 4.27Å; L107-E126 VanDerWaalsContact CD1-O 3.23Å; L107-E126 WeakPolarHBondContact CD1-O 3.43Å; L107-Q128 HydrophobicContact CB-CG 3.88Å; L107-Q128 HydrophobicContact CD1-CG 4.22Å; L107-Q128 HydrophobicContact CD2-CG 4.42Å; L107-Q128 HydrophobicContact CG-CG 4.39Å
108P96.1Very high94.6Very high89 Ų8966.8 Ų66.858%0.57837%0.37SS*.  trans-80.2157175.532.8-33.2000111.5Q128P108-Q128 VanDerWaalsContact O-CD 3.31Å; P108-Q128 WeakPolarHBondContact O-CG 3.44Å; P108-Q128 PolarHBondContact O-NE2 3.5Å
109G96.1Very high93.3Very high59 Ų5972.2 Ų72.261%0.60840%0.396SS*.SBendtrans71.1-172.4172.600000114.4
110P97.2Very high92Very high95 Ų9580.8 Ų80.862%0.61743%0.429SS*.SBendtrans-63.5135.5-177.7-21.233.7000111.4Q128 K129P110-Q128 CarbonylContact O-C 3.47Å; P110-Q128 WeakPolarHBondContact O-CA 3.44Å; P110-K129 HydrophobicContact CB-CB 4.3Å; P110-K129 HydrophobicContact CB-CD 3.88Å; P110-K129 HydrophobicContact CB-CG 4.15Å; P110-K129 PolarHBondContact O-N 2.91Å
111C97.9Very high91.3Very high24 Ų2481.4 Ų81.416%0.16244%0.442CS..EExtended strand (participates in β ladder)trans-125.7153.6178-65.20000111.8E126 I127 K129C111-E126 HydrophobicContact CB-CB 3.96Å; C111-E126 HydrophobicContact CB-CG 4.3Å; C111-I127 CarbonylContact C-O 3.53Å; C111-I127 WeakPolarHBondContact CA-O 3.26Å; C111-I127 WeakPolarHBondContact CB-O 3.22Å; C111-K129 WeakPolarHBondContact O-CE 3.28Å
112F97.1Very high90.7Very high59 Ų5984 Ų8426%0.25946%0.459SS..EExtended strand (participates in β ladder)trans-81.9139.8151.1-62.9-63.9000108E126 I127 K129 L157 L160F112-E126 WeakPolarHBondContact O-CA 3.3Å; F112-I127 HydrophobicContact CB-CG2 3.98Å; F112-I127 HydrophobicContact CD2-CG2 4.15Å; F112-I127 PolarHBondContact N-O 3.02Å; F112-I127 PolarHBondContact O-N 2.91Å; F112-K129 HydrophobicContact CD1-CG 4.49Å; F112-K129 HydrophobicContact CD2-CG 4.19Å; F112-K129 HydrophobicContact CE1-CD 4.43Å; F112-K129 HydrophobicContact CE1-CG 4.4Å; F112-K129 HydrophobicContact CE2-CG 4.09Å; F112-K129 HydrophobicContact CG-CG 4.39Å; F112-K129 HydrophobicContact CZ-CD 4.49Å; F112-K129 HydrophobicContact CZ-CG 4.2Å; F112-L157 HydrophobicContact CB-CD2 4.02Å; F112-L157 WeakPolarHBondContact O-CD2 3.45Å; F112-L160 HydrophobicContact CB-CB 4.43Å; F112-L160 HydrophobicContact CB-CD1 3.97Å; F112-L160 HydrophobicContact CD1-CB 4.11Å; F112-L160 HydrophobicContact CD1-CD1 4.31Å; F112-L160 HydrophobicContact CD2-CB 4.2Å; F112-L160 HydrophobicContact CE1-CB 4.4Å; F112-L160 HydrophobicContact CE2-CB 4.49Å; F112-L160 HydrophobicContact CG-CB 4Å; F112-L160 HydrophobicContact CG-CD1 4.28Å
113S96.7Very high90.3Very high62 Ų6281.1 Ų81.143%0.43445%0.452SS..EExtended strand (participates in β ladder)trans-126.4140.4-178.9-440000109.6V125 E126S113-V125 CarbonylContact C-O 3.49Å; S113-V125 WeakPolarHBondContact CA-O 3.49Å; S113-E126 WeakPolarHBondContact OG-CG 3.18Å; S113-E126 PolarHBondContact OG-OE1 2.89Å
114Y95.2Very high90.3Very high67 Ų6778.5 Ų78.526%0.26344%0.443SS..EExtended strand (participates in β ladder)trans-130.3123.8176.2-176-101.8000109.8I124 V125 A153 K156Y114-I124 WeakPolarHBondContact O-CA 3.45Å; Y114-V125 PolarHBondContact N-O 2.71Å; Y114-V125 PolarHBondContact O-N 2.74Å; Y114-A153 HydrophobicContact CD1-CB 3.71Å; Y114-A153 HydrophobicContact CE1-CB 4.05Å; Y114-K156 HydrophobicContact CD1-CB 4.42Å; Y114-K156 HydrophobicContact CD2-CB 3.88Å; Y114-K156 HydrophobicContact CD2-CG 4.43Å; Y114-K156 HydrophobicContact CE1-CB 4.38Å; Y114-K156 HydrophobicContact CE1-CG 4.27Å; Y114-K156 HydrophobicContact CE2-CB 3.88Å; Y114-K156 HydrophobicContact CE2-CG 3.92Å; Y114-K156 HydrophobicContact CG-CB 4.16Å
115K93.1Very high90.3Very high115 Ų11577.1 Ų77.150%0.543%0.431SS..EExtended strand (participates in β ladder)trans-93.9127.8176.4-175.2-175.4176.3-167.70109.2E117 S122 S123 I124K115-E117 IonicContact NZ-OE1 3.91Å; K115-S122 WeakPolarHBondContact CE-OG 3.48Å; K115-S123 WeakPolarHBondContact CA-O 3.36Å; K115-I124 HydrophobicContact CB-CG1 4.02Å; K115-I124 HydrophobicContact CG-CG1 4Å
116Y85.4Confident90.4Very high37 Ų3775.5 Ų75.515%0.14541%0.406CS..EExtended strand (participates in β ladder)trans-127.6146.9173.965-78.3000111L118 S122 S123 V125 A153Y116-L118 HydrophobicContact CD2-CD2 4.13Å; Y116-L118 HydrophobicContact CE2-CD2 3.66Å; Y116-L118 HydrophobicContact CE2-CG 4.37Å; Y116-S122 CarbonylContact O-C 3.58Å; Y116-S122 VanDerWaalsContact O-CA 3.31Å; Y116-S122 WeakPolarHBondContact O-CA 3.34Å; Y116-S122 WeakPolarHBondContact O-CB 3.47Å; Y116-S123 WeakPolarHBondContact CD1-O 3.34Å; Y116-S123 PolarHBondContact N-O 3.22Å; Y116-S123 PolarHBondContact O-N 3.08Å; Y116-V125 HydrophobicContact CD1-CG2 4.25Å; Y116-V125 HydrophobicContact CE1-CG1 3.95Å; Y116-V125 HydrophobicContact CE1-CG2 3.98Å; Y116-A153 HydrophobicContact CD1-CB 3.83Å; Y116-A153 HydrophobicContact CE1-CB 4.16Å; Y116-A153 HydrophobicContact CG-CB 4.26Å
117E82.6Confident90.5Very high135 Ų13569.3 Ų69.363%0.63138%0.379SS*.EExtended strand (participates in β ladder)trans-84.1139.8-177.9-60.9-59.8146.500110.6K115K115-E117 IonicContact NZ-OE1 3.91Å
118L77Confident90.5Very high92 Ų9271 Ų7148%0.48239%0.386SS..  trans-110.1168.7172.3-62.8174.3000108.6Y116 Y120 G121Y116-L118 HydrophobicContact CD2-CD2 4.13Å; Y116-L118 HydrophobicContact CE2-CD2 3.66Å; Y116-L118 HydrophobicContact CE2-CG 4.37Å; L118-Y120 PolarHBondContact O-N 2.86Å; L118-Y120 VanDerWaalsContact O-N 3.13Å; L118-G121 PolarHBondContact N-O 3.37Å
119E70.7Confident90.5Very high169 Ų16971.1 Ų71.179%0.7938%0.378SS*.SBendtrans-54.3-32.9173.6-68.9176.5171.300112.9
120Y70.9Confident90.3Very high190 Ų19075.3 Ų75.375%0.74539%0.386SS*.SBendtrans-133.798.7174.6-62.4-86.5000109L118L118-Y120 PolarHBondContact O-N 2.86Å; L118-Y120 VanDerWaalsContact O-N 3.13Å
121G83.9Confident90.2Very high48 Ų4873.2 Ų73.250%0.49537%0.372SS..SBendtrans91.7-161.4177.400000113.6L118L118-G121 PolarHBondContact N-O 3.37Å
122S86.2Confident90.3Very high55 Ų5572.6 Ų72.639%0.38537%0.366SS..EExtended strand (participates in β ladder)trans-135.2156.7-179.853.20000109.9K115 Y116K115-S122 WeakPolarHBondContact CE-OG 3.48Å; Y116-S122 CarbonylContact O-C 3.58Å; Y116-S122 VanDerWaalsContact O-CA 3.31Å; Y116-S122 WeakPolarHBondContact O-CA 3.34Å; Y116-S122 WeakPolarHBondContact O-CB 3.47Å
123S89.6Confident90.2Very high23 Ų2375.8 Ų75.816%0.16138%0.38CS..EExtended strand (participates in β ladder)trans-123.9152.3171-159.80000109.9K115 Y116K115-S123 WeakPolarHBondContact CA-O 3.36Å; Y116-S123 WeakPolarHBondContact CD1-O 3.34Å; Y116-S123 PolarHBondContact N-O 3.22Å; Y116-S123 PolarHBondContact O-N 3.08Å
124I95Very high90.1Very high68 Ų6877.7 Ų77.735%0.34939%0.391SS..EExtended strand (participates in β ladder)trans-120125.8176-56176.3000107K103 A104 Y114 K115K103-I124 WeakPolarHBondContact CA-O 3.22Å; A104-I124 HydrophobicContact CB-CB 3.86Å; A104-I124 HydrophobicContact CB-CG2 3.85Å; A104-I124 PolarHBondContact N-O 3.33Å; Y114-I124 WeakPolarHBondContact O-CA 3.45Å; K115-I124 HydrophobicContact CB-CG1 4.02Å; K115-I124 HydrophobicContact CG-CG1 4Å
125V96.4Very high90Very high16 Ų1680 Ų8010%0.09741%0.408CS..EExtended strand (participates in β ladder)trans-111.5154.9171-75.40000110.2I101 R102 S113 Y114 Y116 A153 L157I101-V125 HydrophobicContact CG2-CB 3.92Å; I101-V125 HydrophobicContact CG2-CG1 4.43Å; I101-V125 HydrophobicContact CG2-CG2 4.44Å; R102-V125 CarbonylContact O-C 3.55Å; R102-V125 VanDerWaalsContact O-CA 3.27Å; R102-V125 WeakPolarHBondContact O-CA 3.49Å; S113-V125 CarbonylContact C-O 3.49Å; S113-V125 WeakPolarHBondContact CA-O 3.49Å; Y114-V125 PolarHBondContact N-O 2.71Å; Y114-V125 PolarHBondContact O-N 2.74Å; Y116-V125 HydrophobicContact CD1-CG2 4.25Å; Y116-V125 HydrophobicContact CE1-CG1 3.95Å; Y116-V125 HydrophobicContact CE1-CG2 3.98Å; V125-A153 HydrophobicContact CG2-CB 3.73Å; V125-L157 HydrophobicContact CB-CD1 4.03Å; V125-L157 HydrophobicContact CG2-CD1 3.66Å
126E98Very high90.3Very high29 Ų2975.4 Ų75.414%0.13639%0.389CS..EExtended strand (participates in β ladder)trans-137.3147.2-171.2-64.8-171.1147.800111.4I101 R102 A104 G105 L107 C111 F112 S113I101-E126 WeakPolarHBondContact CA-O 3.27Å; R102-E126 PolarHBondContact N-O 3.17Å; R102-E126 PolarHBondContact O-N 3.25Å; A104-E126 VanDerWaalsContact CA-CD 3.47Å; A104-E126 VanDerWaalsContact CA-OE2 3.26Å; A104-E126 WeakPolarHBondContact CA-OE2 3.35Å; A104-E126 HydrophobicContact CB-CG 4.11Å; G105-E126 PolarHBondContact N-OE2 3.37Å; L107-E126 HydrophobicContact CD1-CB 4.27Å; L107-E126 VanDerWaalsContact CD1-O 3.23Å; L107-E126 WeakPolarHBondContact CD1-O 3.43Å; C111-E126 HydrophobicContact CB-CB 3.96Å; C111-E126 HydrophobicContact CB-CG 4.3Å; F112-E126 WeakPolarHBondContact O-CA 3.3Å; S113-E126 WeakPolarHBondContact OG-CG 3.18Å; S113-E126 PolarHBondContact OG-OE1 2.89Å
127I98Very high90.9Very high1 Ų175 Ų751%0.00539%0.389CS..EExtended strand (participates in β ladder)trans-129.1136.4165.2-167.3168.8000107.2V99 I101 C111 F112 V131 L132 L157V99-I127 HydrophobicContact CG1-CD1 3.77Å; V99-I127 HydrophobicContact CG1-CG1 3.93Å; I101-I127 HydrophobicContact CD1-CD1 4.39Å; I101-I127 HydrophobicContact CG1-CB 4.11Å; I101-I127 HydrophobicContact CG1-CD1 4.05Å; I101-I127 HydrophobicContact CG1-CG1 4.26Å; C111-I127 CarbonylContact C-O 3.53Å; C111-I127 WeakPolarHBondContact CA-O 3.26Å; C111-I127 WeakPolarHBondContact CB-O 3.22Å; F112-I127 HydrophobicContact CB-CG2 3.98Å; F112-I127 HydrophobicContact CD2-CG2 4.15Å; F112-I127 PolarHBondContact N-O 3.02Å; F112-I127 PolarHBondContact O-N 2.91Å; I127-V131 HydrophobicContact CD1-CG2 4.31Å; I127-V131 HydrophobicContact CG1-CG2 3.89Å; I127-L132 HydrophobicContact CD1-CD1 3.51Å; I127-L132 HydrophobicContact CD1-CG 4.07Å; I127-L157 HydrophobicContact CG2-CB 3.99Å; I127-L157 HydrophobicContact CG2-CD2 4.2Å; I127-L157 HydrophobicContact CG2-CG 4.49Å
128Q98Very high91.7Very high58 Ų5868.6 Ų68.627%0.27136%0.359SS..EExtended strand (participates in β ladder)trans-59.2147176.9-69.2-179.9-98.700110.1L107 P108 P110 V131L107-Q128 HydrophobicContact CB-CG 3.88Å; L107-Q128 HydrophobicContact CD1-CG 4.22Å; L107-Q128 HydrophobicContact CD2-CG 4.42Å; L107-Q128 HydrophobicContact CG-CG 4.39Å; P108-Q128 VanDerWaalsContact O-CD 3.31Å; P108-Q128 WeakPolarHBondContact O-CG 3.44Å; P108-Q128 PolarHBondContact O-NE2 3.5Å; P110-Q128 CarbonylContact O-C 3.47Å; P110-Q128 WeakPolarHBondContact O-CA 3.44Å; Q128-V131 HydrophobicContact CB-CG1 3.57Å; Q128-V131 HydrophobicContact CB-CG2 4.28Å; Q128-V131 WeakPolarHBondContact O-CG2 3.47Å
129K95.7Very high92.7Very high92 Ų9264.2 Ų64.240%0.434%0.336SS..THydrogen-bonded Turntrans-68.8152.5170.3-64.3-172.8-179.1-179.70109.3P110 C111 F112 V131P110-K129 HydrophobicContact CB-CB 4.3Å; P110-K129 HydrophobicContact CB-CD 3.88Å; P110-K129 HydrophobicContact CB-CG 4.15Å; P110-K129 PolarHBondContact O-N 2.91Å; C111-K129 WeakPolarHBondContact O-CE 3.28Å; F112-K129 HydrophobicContact CD1-CG 4.49Å; F112-K129 HydrophobicContact CD2-CG 4.19Å; F112-K129 HydrophobicContact CE1-CD 4.43Å; F112-K129 HydrophobicContact CE1-CG 4.4Å; F112-K129 HydrophobicContact CE2-CG 4.09Å; F112-K129 HydrophobicContact CG-CG 4.39Å; F112-K129 HydrophobicContact CZ-CD 4.49Å; F112-K129 HydrophobicContact CZ-CG 4.2Å; K129-V131 PolarHBondContact O-N 3.23Å
130D90.9Very high94.1Very high147 Ų14756.2 Ų56.279%0.78630%0.299SS*.THydrogen-bonded Turntrans652174.4-45.2-50.2000116.6L132D130-L132 VanDerWaalsContact C-N 3.32Å
131V97Very high95.4Very high51 Ų5147.2 Ų47.231%0.30926%0.264SS..SBendtrans-78.8-19172.5-59.50000113.2V99 I127 Q128 K129V99-V131 HydrophobicContact CG1-CB 4.23Å; V99-V131 HydrophobicContact CG1-CG2 3.52Å; V99-V131 HydrophobicContact CG2-CB 4.29Å; V99-V131 HydrophobicContact CG2-CG2 4.37Å; I127-V131 HydrophobicContact CD1-CG2 4.31Å; I127-V131 HydrophobicContact CG1-CG2 3.89Å; Q128-V131 HydrophobicContact CB-CG1 3.57Å; Q128-V131 HydrophobicContact CB-CG2 4.28Å; Q128-V131 WeakPolarHBondContact O-CG2 3.47Å; K129-V131 PolarHBondContact O-N 3.23Å
132L98.1Very high96.1Very high10 Ų1045.5 Ų45.55%0.05224%0.243CC..SBendtrans-120.9145.1172.7-67.9-178000109.3V75 V77 V99 I127 D130 D136 V138 I158 S161 A163V75-L132 HydrophobicContact CB-CD2 4.28Å; V75-L132 HydrophobicContact CG1-CD2 3.72Å; V75-L132 HydrophobicContact CG2-CD2 4.28Å; V77-L132 HydrophobicContact CG2-CD1 4.09Å; V77-L132 HydrophobicContact CG2-CD2 4.06Å; V99-L132 HydrophobicContact CB-CD2 4.48Å; V99-L132 HydrophobicContact CG2-CD2 4.1Å; I127-L132 HydrophobicContact CD1-CD1 3.51Å; I127-L132 HydrophobicContact CD1-CG 4.07Å; D130-L132 VanDerWaalsContact C-N 3.32Å; L132-D136 WeakPolarHBondContact CA-OD2 3.36Å; L132-V138 HydrophobicContact CD1-CG2 4.42Å; L132-V138 HydrophobicContact CD2-CG2 4.06Å; L132-I158 HydrophobicContact CD1-CB 4.37Å; L132-I158 HydrophobicContact CD1-CG1 4.05Å; L132-I158 HydrophobicContact CD1-CG2 4.02Å; L132-S161 WeakPolarHBondContact CB-OG 3.37Å; L132-S161 WeakPolarHBondContact CD1-OG 3.34Å; L132-A163 HydrophobicContact CB-CB 4.13Å; L132-A163 HydrophobicContact CD1-CB 4.24Å
133K95.5Very high96.5Very high127 Ų12742.9 Ų42.955%0.55223%0.225SC*.  trans-118.6156-179.6-59.4174.2-172.8172.70110.3D135 D136 A163K133-D135 WeakPolarHBondContact CB-OD1 3.47Å; K133-D135 PolarHBondContact O-N 3.23Å; K133-D135 VanDerWaalsContact O-N 3.08Å; K133-D136 PolarHBondContact N-OD2 2.85Å; K133-D136 WeakPolarHBondContact O-CB 3.39Å; K133-D136 PolarHBondContact O-N 2.82Å; K133-A163 WeakPolarHBondContact O-CA 3.5Å; K133-A163 WeakPolarHBondContact O-CB 3.29Å
134P94.3Very high96.8Very high102 Ų10242.6 Ų42.666%0.66222%0.222SC*.THydrogen-bonded Turntrans-58.2-23.2-180-28.136.5000115.8
135D94.6Very high96.9Very high115 Ų11539.4 Ų39.462%0.61521%0.206SC*.THydrogen-bonded Turntrans-90.9-0.5177.262.7-34.8000113.9K133 N137K133-D135 WeakPolarHBondContact CB-OD1 3.47Å; K133-D135 PolarHBondContact O-N 3.23Å; K133-D135 VanDerWaalsContact O-N 3.08Å; D135-N137 PolarHBondContact O-N 2.81Å
136D98.3Very high96.8Very high18 Ų1840.1 Ų40.110%0.09621%0.213CC..  trans-71130.2176.9-71.8-28000111.5N74 V75 L132 K133 V138 A163 R164N74-D136 WeakPolarHBondContact OD1-CA 3.49Å; V75-D136 HydrophobicContact CG2-CB 3.98Å; L132-D136 WeakPolarHBondContact CA-OD2 3.36Å; K133-D136 PolarHBondContact N-OD2 2.85Å; K133-D136 WeakPolarHBondContact O-CB 3.39Å; K133-D136 PolarHBondContact O-N 2.82Å; D136-V138 HydrophobicContact CB-CG2 4.34Å; D136-A163 HydrophobicContact CB-CB 3.95Å; D136-R164 PolarHBondContact O-N 2.96Å
137N98.6Very high96.6Very high30 Ų3042.5 Ų42.516%0.1623%0.23CC..EExtended strand (participates in β ladder)trans-101.595.7172.5-67.5-57.3000108.6T71 K72 N74 V75 D135 R164 L166T71-N137 HydrophobicContact CG2-CB 4.12Å; T71-N137 VanDerWaalsContact CG2-CG 3.43Å; T71-N137 WeakPolarHBondContact CG2-ND2 3.49Å; T71-N137 WeakPolarHBondContact CG2-OD1 3.24Å; K72-N137 WeakPolarHBondContact O-CB 3.46Å; N74-N137 PolarHBondContact N-O 3Å; N74-N137 PolarHBondContact OD1-N 3.47Å; N74-N137 PolarHBondContact OD1-O 3.35Å; V75-N137 PolarHBondContact N-O 2.79Å; D135-N137 PolarHBondContact O-N 2.81Å; N137-R164 WeakPolarHBondContact CA-O 3.37Å; N137-L166 HydrophobicContact CB-CD1 3.87Å; N137-L166 HydrophobicContact CB-CD2 4.13Å; N137-L166 HydrophobicContact CB-CG 3.93Å
138V98.8Very high96.4Very high0 Ų042.6 Ų42.60%023%0.231CC..EExtended strand (participates in β ladder)trans-87.9135.7-172.2174.20000111.1V75 V77 L132 D136 I158 A163 R164 L166V75-V138 HydrophobicContact CB-CG2 4.29Å; V75-V138 WeakPolarHBondContact O-CA 3.43Å; V77-V138 HydrophobicContact CB-CG1 3.76Å; V77-V138 HydrophobicContact CG2-CB 4.44Å; V77-V138 HydrophobicContact CG2-CG1 3.42Å; V77-V138 VanDerWaalsContact CG2-CG1 3.42Å; V77-V138 HydrophobicContact CG2-CG2 4.13Å; L132-V138 HydrophobicContact CD1-CG2 4.42Å; L132-V138 HydrophobicContact CD2-CG2 4.06Å; D136-V138 HydrophobicContact CB-CG2 4.34Å; V138-I158 HydrophobicContact CG1-CD1 3.92Å; V138-I158 HydrophobicContact CG2-CG2 4.26Å; V138-A163 HydrophobicContact CG2-CB 4.06Å; V138-R164 PolarHBondContact N-O 3Å; V138-L166 PolarHBondContact O-N 3.26Å
139V98.8Very high96.2Very high0 Ų040.7 Ų40.70%023%0.227CC..EExtended strand (participates in β ladder)trans-99.4122.8152.867.80000109I66 I73 V75 V76 V77 S167 L169I66-V139 HydrophobicContact CD1-CG2 4.13Å; I73-V139 HydrophobicContact CD1-CB 4.02Å; I73-V139 HydrophobicContact CD1-CG1 4.21Å; I73-V139 HydrophobicContact CG1-CB 4.31Å; I73-V139 HydrophobicContact CG2-CB 4.13Å; I73-V139 HydrophobicContact CG2-CG1 3.71Å; V75-V139 PolarHBondContact O-N 3.48Å; V76-V139 HydrophobicContact CB-CG1 4.2Å; V76-V139 HydrophobicContact CG1-CG1 4.22Å; V76-V139 HydrophobicContact CG2-CG1 3.73Å; V77-V139 PolarHBondContact N-O 3.47Å; V139-S167 WeakPolarHBondContact CA-O 3.36Å; V139-L169 HydrophobicContact CG2-CB 3.68Å
140L98.8Very high96.1Very high1 Ų139 Ų391%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-85.5125.7175.7177.160000109.1V77 L79 L151 V155 I158 I165 S167 S168 L169V77-L140 HydrophobicContact CB-CD1 4.38Å; V77-L140 HydrophobicContact CG1-CD1 4.12Å; V77-L140 CarbonylContact O-C 3.57Å; L79-L140 HydrophobicContact CD1-CD1 4.36Å; L79-L140 HydrophobicContact CD2-CD1 3.87Å; L79-L140 HydrophobicContact CG-CD1 3.89Å; L140-L151 HydrophobicContact CD2-CB 4.45Å; L140-L151 HydrophobicContact CD2-CG 4.43Å; L140-V155 HydrophobicContact CD2-CG2 3.83Å; L140-I158 HydrophobicContact CB-CD1 4.36Å; L140-I158 HydrophobicContact CD1-CD1 3.94Å; L140-I158 HydrophobicContact CD2-CD1 4.5Å; L140-I158 HydrophobicContact CG-CD1 4.5Å; L140-I165 HydrophobicContact CB-CG2 4.37Å; L140-S167 PolarHBondContact N-O 3.38Å; L140-S168 CarbonylContact O-C 3.59Å; L140-S168 WeakPolarHBondContact O-CA 3.49Å; L140-L169 PolarHBondContact O-N 3.01Å
141F98.8Very high96.4Very high1 Ų132.2 Ų32.20%0.00419%0.19CC..EExtended strand (participates in β ladder)trans-126.9132.8-166.7-178.6-95.3000112.6L58 V76 V77 G78 L79 G83 L86 L90 L169 F171L58-F141 HydrophobicContact CD1-CE2 3.86Å; L58-F141 HydrophobicContact CD1-CZ 3.95Å; L58-F141 HydrophobicContact CD2-CE2 3.89Å; L58-F141 HydrophobicContact CG-CE2 4.39Å; V76-F141 HydrophobicContact CG1-CB 3.96Å; V76-F141 HydrophobicContact CG1-CG 4.49Å; V77-F141 PolarHBondContact O-N 3.43Å; G78-F141 WeakPolarHBondContact CA-O 3.45Å; L79-F141 PolarHBondContact N-O 3.09Å; G83-F141 WeakPolarHBondContact O-CD1 3.47Å; G83-F141 WeakPolarHBondContact O-CE1 3.22Å; L86-F141 HydrophobicContact CB-CE1 4.27Å; L86-F141 HydrophobicContact CB-CZ 3.91Å; L90-F141 HydrophobicContact CD2-CD2 3.86Å; L90-F141 HydrophobicContact CD2-CE2 3.94Å; F141-L169 WeakPolarHBondContact CA-O 3.37Å; F141-L169 HydrophobicContact CD2-CB 4.37Å; F141-L169 HydrophobicContact CD2-CD2 4.49Å; F141-L169 HydrophobicContact CD2-CG 4.28Å; F141-L169 VanDerWaalsContact CD2-O 3.26Å; F141-L169 WeakPolarHBondContact CD2-O 3.17Å; F141-F171 HydrophobicContact CE1-CE1 4.36Å; F141-F171 AromaticContact CE2-CE1 3.99Å; F141-F171 HydrophobicContact CE2-CE1 3.99Å; F141-F171 HydrophobicContact CZ-CD1 4.46Å; F141-F171 AromaticContact CZ-CE1 3.48Å; F141-F171 HydrophobicContact CZ-CE1 3.48Å; F141-F171 VanDerWaalsContact CZ-CE1 3.48Å; F141-F171 HydrophobicContact CZ-CZ 4.02Å
142D97.7Very high96.4Very high11 Ų1131.7 Ų31.76%0.05919%0.185CC..EExtended strand (participates in β ladder)trans-154.7174.6171.5-158.57000110.5L79 G83 L169 L170L79-D142 HydrophobicContact CB-CB 4.12Å; L79-D142 HydrophobicContact CD1-CB 4.1Å; L79-D142 HydrophobicContact CG-CB 4.38Å; G83-D142 PolarHBondContact N-OD1 3.45Å; D142-L169 PolarHBondContact N-O 3.35Å; D142-L170 HydrophobicContact CB-CD2 3.95Å; D142-L170 VanDerWaalsContact O-CA 3.22Å; D142-L170 WeakPolarHBondContact O-CA 3.38Å
143D96.2Very high96.3Very high1 Ų131.2 Ų31.21%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-81-45.2-179.172.9-32.6000113.4F41 R82 F171 V172F41-D143 HydrophobicContact CD2-CB 4.35Å; R82-D143 HydrophobicContact CB-CB 3.92Å; R82-D143 WeakPolarHBondContact CB-OD1 3.45Å; R82-D143 WeakPolarHBondContact CB-OD2 3.22Å; R82-D143 WeakPolarHBondContact CD-OD2 3.32Å; R82-D143 IonicContact CZ-OD1 3.96Å; R82-D143 VanDerWaalsContact CZ-OD1 3.25Å; R82-D143 IonicContact CZ-OD2 2.99Å; R82-D143 IonicContact NE-OD1 3.11Å; R82-D143 PolarHBondContact NE-OD1 3.41Å; R82-D143 VanDerWaalsContact NE-OD1 3.12Å; R82-D143 IonicContact NE-OD2 3.69Å; R82-D143 PolarHBondContact NE-OD2 2.9Å; R82-D143 IonicContact NH1-OD2 3.98Å; R82-D143 PolarHBondContact NH1-OD2 3.47Å; R82-D143 IonicContact NH2-OD1 3.34Å; R82-D143 PolarHBondContact NH2-OD1 2.81Å; R82-D143 IonicContact NH2-OD2 2.72Å; D143-F171 HydrophobicContact CB-CD2 3.64Å; D143-F171 HydrophobicContact CB-CE2 3.72Å; D143-F171 HydrophobicContact CB-CG 4.32Å; D143-F171 HydrophobicContact CB-CZ 4.45Å; D143-F171 WeakPolarHBondContact O-CA 3.36Å; D143-F171 VanDerWaalsContact O-CB 3.22Å; D143-F171 WeakPolarHBondContact O-CB 3.42Å; D143-F171 PolarHBondContact O-N 2.81Å; D143-V172 PolarHBondContact O-N 3.44Å; D143-V172 VanDerWaalsContact O-N 3.07Å
144V95.8Very high96.3Very high16 Ų1625.2 Ų25.210%0.09716%0.157CC..EExtended strand (participates in β ladder)trans-129.9126.6-168.1176.20000111.6F41 A146 V172 L174F41-V144 HydrophobicContact CE2-CG2 3.78Å; V144-A146 HydrophobicContact CG1-CB 4.42Å; V144-V172 HydrophobicContact CB-CG1 4Å; V144-V172 HydrophobicContact CG1-CG1 3.99Å; V144-V172 HydrophobicContact CG2-CG1 3.56Å; V144-L174 HydrophobicContact CG1-CD1 3.98Å; V144-L174 HydrophobicContact CG1-CG 3.97Å
145L96.6Very high96.5Very high1 Ų120.4 Ų20.41%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-91.5106.8162.6178.158.9000109.8L151 L170 V172 E173 L174 R180 I183 V190L145-L151 HydrophobicContact CD1-CD1 4.25Å; L145-L151 HydrophobicContact CD1-CD2 4.33Å; L145-L170 HydrophobicContact CB-CD1 4.24Å; L145-L170 HydrophobicContact CB-CD2 3.95Å; L145-V172 PolarHBondContact N-O 2.88Å; L145-E173 HydrophobicContact CB-CB 4.41Å; L145-E173 HydrophobicContact CD2-CB 4.44Å; L145-E173 HydrophobicContact CD2-CG 4.09Å; L145-E173 HydrophobicContact CG-CG 4.47Å; L145-L174 PolarHBondContact O-N 3.15Å; L145-R180 HydrophobicContact CD2-CB 4.21Å; L145-I183 HydrophobicContact CD1-CG1 4.48Å; L145-V190 HydrophobicContact CD2-CG1 3.51Å; L145-V190 HydrophobicContact CD2-CG2 4.5Å
146A94.3Very high96.7Very high31 Ų3118.3 Ų18.326%0.25611%0.111SC..SBendtrans-101-108.2171.400000110.8V144 G148 L174 L177 G179V144-A146 HydrophobicContact CG1-CB 4.42Å; A146-G148 PolarHBondContact O-N 3.47Å; A146-L174 HydrophobicContact CB-CD1 4.14Å; A146-L177 HydrophobicContact CB-CD1 3.91Å; A146-G179 VanDerWaalsContact O-CA 3.26Å; A146-G179 WeakPolarHBondContact O-CA 3.3Å; A146-G179 PolarHBondContact O-N 3.04Å
147T94.1Very high96.6Very high80 Ų8017.4 Ų17.449%0.49111%0.106SC..SBendtrans-75.5-10.7177.161.80000113.8L177 G179 R182T147-L177 HydrophobicContact CG2-CB 4.43Å; T147-G179 VanDerWaalsContact C-CA 3.44Å; T147-G179 WeakPolarHBondContact O-CA 3.36Å; T147-R182 VanDerWaalsContact O-CD 3.24Å; T147-R182 WeakPolarHBondContact O-CD 2.96Å; T147-R182 PolarHBondContact O-NE 3.16Å
148G94.5Very high96.6Very high3 Ų316 Ų163%0.03110%0.098CC..SBendtrans84.7-3.3-178.300000115.4A146 S150 L151 E152A146-G148 PolarHBondContact O-N 3.47Å; G148-S150 PolarHBondContact O-N 3.35Å; G148-L151 PolarHBondContact O-N 3.16Å; G148-L151 VanDerWaalsContact O-N 3.15Å; G148-E152 PolarHBondContact O-N 3.04Å
149G93.5Very high96.5Very high17 Ų1720 Ų2018%0.17512%0.12CC..Hα-helixtrans-57.9-44.1-175.600000114.8L151 E152 A153G149-L151 PolarHBondContact O-N 3.33Å; G149-E152 PolarHBondContact O-N 3.44Å; G149-A153 PolarHBondContact O-N 3.15Å
150S93.4Very high96.3Very high58 Ų5824.6 Ų24.641%0.40614%0.144SC..Hα-helixtrans-64.6-39.3176.7-61.40000112.4L79 G148 A153 G154L79-S150 WeakPolarHBondContact CD1-O 3.21Å; G148-S150 PolarHBondContact O-N 3.35Å; S150-A153 PolarHBondContact O-N 2.95Å; S150-G154 PolarHBondContact O-N 2.87Å
151L96.4Very high96Very high3 Ų325.5 Ų25.52%0.01615%0.15CC..Hα-helixtrans-68.5-43.2178-84.882.1000111.2L79 L140 L145 G148 G149 A153 G154 V155 L170 I183L79-L151 HydrophobicContact CD1-CD1 4.17Å; L79-L151 HydrophobicContact CD1-CG 4.13Å; L140-L151 HydrophobicContact CD2-CB 4.45Å; L140-L151 HydrophobicContact CD2-CG 4.43Å; L145-L151 HydrophobicContact CD1-CD1 4.25Å; L145-L151 HydrophobicContact CD1-CD2 4.33Å; G148-L151 PolarHBondContact O-N 3.16Å; G148-L151 VanDerWaalsContact O-N 3.15Å; G149-L151 PolarHBondContact O-N 3.33Å; L151-A153 VanDerWaalsContact C-N 3.3Å; L151-A153 PolarHBondContact O-N 2.9Å; L151-G154 CarbonylContact O-C 3.59Å; L151-G154 WeakPolarHBondContact O-CA 3.44Å; L151-G154 PolarHBondContact O-N 3.05Å; L151-G154 VanDerWaalsContact O-N 3.09Å; L151-V155 WeakPolarHBondContact O-CG2 3.5Å; L151-V155 PolarHBondContact O-N 3.12Å; L151-L170 HydrophobicContact CD1-CD2 3.81Å; L151-L170 HydrophobicContact CD2-CD1 3.95Å; L151-L170 HydrophobicContact CD2-CD2 3.95Å; L151-L170 HydrophobicContact CD2-CG 4.42Å; L151-L170 HydrophobicContact CG-CD2 4.38Å; L151-I183 HydrophobicContact CB-CD1 3.46Å; L151-I183 VanDerWaalsContact CB-CD1 3.46Å; L151-I183 HydrophobicContact CB-CG1 3.88Å; L151-I183 HydrophobicContact CD2-CG1 4.25Å
152E96.9Very high95.8Very high40 Ų4027.6 Ų27.619%0.18717%0.172CC..Hα-helixtrans-56.7-47.1174.9169.6174.2-174.800110.5G148 G149 G154 V155 K156 R182 I183 L186G148-E152 PolarHBondContact O-N 3.04Å; G149-E152 PolarHBondContact O-N 3.44Å; E152-G154 VanDerWaalsContact C-N 3.28Å; E152-G154 PolarHBondContact O-N 3.07Å; E152-V155 WeakPolarHBondContact O-CB 3.33Å; E152-V155 PolarHBondContact O-N 3.35Å; E152-V155 VanDerWaalsContact O-N 3.15Å; E152-K156 HydrophobicContact CG-CG 4.44Å; E152-K156 WeakPolarHBondContact O-CG 3.06Å; E152-K156 PolarHBondContact O-N 2.83Å; E152-R182 VanDerWaalsContact OE2-CD 3.27Å; E152-R182 WeakPolarHBondContact OE2-CD 3.47Å; E152-R182 IonicContact OE2-CZ 3.59Å; E152-R182 IonicContact OE2-NE 3.01Å; E152-R182 IonicContact OE2-NH1 3.57Å; E152-R182 PolarHBondContact OE2-NH1 3.35Å; E152-I183 HydrophobicContact CB-CD1 4.05Å; E152-I183 VanDerWaalsContact N-CD1 3.35Å; E152-L186 HydrophobicContact CB-CD1 4.07Å; E152-L186 HydrophobicContact CG-CD1 3.84Å
153A95.9Very high95.8Very high1 Ų127.2 Ų27.21%0.00817%0.171CC..Hα-helixtrans-58.4-41.3176.200000112Y114 Y116 V125 G149 S150 L151 K156 L157Y114-A153 HydrophobicContact CD1-CB 3.71Å; Y114-A153 HydrophobicContact CE1-CB 4.05Å; Y116-A153 HydrophobicContact CD1-CB 3.83Å; Y116-A153 HydrophobicContact CE1-CB 4.16Å; Y116-A153 HydrophobicContact CG-CB 4.26Å; V125-A153 HydrophobicContact CG2-CB 3.73Å; G149-A153 PolarHBondContact O-N 3.15Å; S150-A153 PolarHBondContact O-N 2.95Å; L151-A153 VanDerWaalsContact C-N 3.3Å; L151-A153 PolarHBondContact O-N 2.9Å; A153-K156 PolarHBondContact O-N 3.44Å; A153-L157 WeakPolarHBondContact O-CG 3.49Å; A153-L157 PolarHBondContact O-N 2.99Å
154G97.2Very high95.9Very high1 Ų133.8 Ų33.81%0.0120%0.195CC..Hα-helixtrans-61.4-46.7172.900000113.4S150 L151 E152 K156 L157 I158S150-G154 PolarHBondContact O-N 2.87Å; L151-G154 CarbonylContact O-C 3.59Å; L151-G154 WeakPolarHBondContact O-CA 3.44Å; L151-G154 PolarHBondContact O-N 3.05Å; L151-G154 VanDerWaalsContact O-N 3.09Å; E152-G154 VanDerWaalsContact C-N 3.28Å; E152-G154 PolarHBondContact O-N 3.07Å; G154-K156 VanDerWaalsContact C-N 3.35Å; G154-K156 PolarHBondContact O-N 3.03Å; G154-L157 PolarHBondContact O-N 2.89Å; G154-I158 WeakPolarHBondContact O-CG1 3.12Å; G154-I158 PolarHBondContact O-N 3.15Å
155V98.1Very high96Very high0 Ų033.8 Ų33.80%019%0.194CC..Hα-helixtrans-58.3-46.9177169.40000110.7L140 L151 E152 L157 I158 N159 I165 L186 V188L140-V155 HydrophobicContact CD2-CG2 3.83Å; L151-V155 WeakPolarHBondContact O-CG2 3.5Å; L151-V155 PolarHBondContact O-N 3.12Å; E152-V155 WeakPolarHBondContact O-CB 3.33Å; E152-V155 PolarHBondContact O-N 3.35Å; E152-V155 VanDerWaalsContact O-N 3.15Å; V155-L157 PolarHBondContact O-N 3.43Å; V155-I158 PolarHBondContact O-N 2.9Å; V155-N159 WeakPolarHBondContact O-CB 3.33Å; V155-N159 PolarHBondContact O-N 3.1Å; V155-N159 PolarHBondContact O-ND2 3.36Å; V155-N159 PolarHBondContact O-OD1 3.28Å; V155-I165 HydrophobicContact CB-CD1 3.94Å; V155-I165 HydrophobicContact CG1-CD1 3.82Å; V155-I165 HydrophobicContact CG2-CD1 3.84Å; V155-L186 HydrophobicContact CB-CD1 4.35Å; V155-L186 HydrophobicContact CG1-CB 4.22Å; V155-L186 HydrophobicContact CG1-CD1 4.1Å; V155-V188 HydrophobicContact CG1-CG2 3.98Å; V155-V188 HydrophobicContact CG2-CB 4.4Å; V155-V188 HydrophobicContact CG2-CG1 4.43Å; V155-V188 HydrophobicContact CG2-CG2 3.92Å
156K97.2Very high96.1Very high71 Ų7133.8 Ų33.831%0.30920%0.195SC..Hα-helixtrans-62.4-42.9178.7-63.1-60.7179.7-176.20111.7Y114 E152 A153 G154 N159 L160Y114-K156 HydrophobicContact CD1-CB 4.42Å; Y114-K156 HydrophobicContact CD2-CB 3.88Å; Y114-K156 HydrophobicContact CD2-CG 4.43Å; Y114-K156 HydrophobicContact CE1-CB 4.38Å; Y114-K156 HydrophobicContact CE1-CG 4.27Å; Y114-K156 HydrophobicContact CE2-CB 3.88Å; Y114-K156 HydrophobicContact CE2-CG 3.92Å; Y114-K156 HydrophobicContact CG-CB 4.16Å; E152-K156 HydrophobicContact CG-CG 4.44Å; E152-K156 WeakPolarHBondContact O-CG 3.06Å; E152-K156 PolarHBondContact O-N 2.83Å; A153-K156 PolarHBondContact O-N 3.44Å; G154-K156 VanDerWaalsContact C-N 3.35Å; G154-K156 PolarHBondContact O-N 3.03Å; K156-N159 PolarHBondContact O-N 3.07Å; K156-L160 WeakPolarHBondContact O-CG 3.32Å; K156-L160 PolarHBondContact O-N 3.32Å
157L96.9Very high96.3Very high0 Ų032.3 Ų32.30%018%0.183CC..Hα-helixtrans-64.3-44.9177-78.7177.2000112.9I101 F112 V125 I127 A153 G154 V155 N159 L160I101-L157 HydrophobicContact CD1-CB 4.23Å; I101-L157 HydrophobicContact CD1-CD1 4.18Å; I101-L157 HydrophobicContact CG1-CD1 4.42Å; I101-L157 HydrophobicContact CG2-CD1 3.7Å; F112-L157 HydrophobicContact CB-CD2 4.02Å; F112-L157 WeakPolarHBondContact O-CD2 3.45Å; V125-L157 HydrophobicContact CB-CD1 4.03Å; V125-L157 HydrophobicContact CG2-CD1 3.66Å; I127-L157 HydrophobicContact CG2-CB 3.99Å; I127-L157 HydrophobicContact CG2-CD2 4.2Å; I127-L157 HydrophobicContact CG2-CG 4.49Å; A153-L157 WeakPolarHBondContact O-CG 3.49Å; A153-L157 PolarHBondContact O-N 2.99Å; G154-L157 PolarHBondContact O-N 2.89Å; V155-L157 PolarHBondContact O-N 3.43Å; L157-N159 VanDerWaalsContact C-N 3.33Å; L157-N159 PolarHBondContact O-N 2.72Å; L157-L160 HydrophobicContact CD2-CD1 4.4Å; L157-L160 WeakPolarHBondContact O-CB 3.37Å; L157-L160 PolarHBondContact O-N 2.95Å
158I98.1Very high96.5Very high0 Ų028.5 Ų28.50%016%0.159CC..Hα-helixtrans-63.3-42.3178.4-67.1160.1000110.1V77 I101 L132 V138 L140 G154 V155 L160 S161 A163 I165V77-I158 HydrophobicContact CB-CD1 4.04Å; V77-I158 HydrophobicContact CG1-CD1 3.92Å; V77-I158 HydrophobicContact CG1-CG1 4.23Å; V77-I158 HydrophobicContact CG2-CD1 4.21Å; V77-I158 HydrophobicContact CG2-CG1 4.35Å; I101-I158 HydrophobicContact CD1-CD1 4.5Å; I101-I158 HydrophobicContact CD1-CG1 4.3Å; L132-I158 HydrophobicContact CD1-CB 4.37Å; L132-I158 HydrophobicContact CD1-CG1 4.05Å; L132-I158 HydrophobicContact CD1-CG2 4.02Å; V138-I158 HydrophobicContact CG1-CD1 3.92Å; V138-I158 HydrophobicContact CG2-CG2 4.26Å; L140-I158 HydrophobicContact CB-CD1 4.36Å; L140-I158 HydrophobicContact CD1-CD1 3.94Å; L140-I158 HydrophobicContact CD2-CD1 4.5Å; L140-I158 HydrophobicContact CG-CD1 4.5Å; G154-I158 WeakPolarHBondContact O-CG1 3.12Å; G154-I158 PolarHBondContact O-N 3.15Å; V155-I158 PolarHBondContact O-N 2.9Å; I158-L160 PolarHBondContact O-N 3.02Å; I158-S161 WeakPolarHBondContact O-CB 3.38Å; I158-S161 PolarHBondContact O-N 2.88Å; I158-S161 PolarHBondContact O-OG 3.04Å; I158-A163 HydrophobicContact CG2-CB 4.02Å; I158-I165 HydrophobicContact CB-CD1 3.93Å; I158-I165 HydrophobicContact CB-CG1 4.08Å; I158-I165 HydrophobicContact CD1-CD1 4.02Å; I158-I165 HydrophobicContact CD1-CG1 4.14Å; I158-I165 HydrophobicContact CG2-CD1 3.96Å; I158-I165 HydrophobicContact CG2-CG1 3.54Å
159N96.8Very high96.7Very high85 Ų8528.4 Ų28.446%0.45516%0.158SC..Hα-helixtrans-60.7-29.8178-71.8-9.9000113V155 K156 L157 S161 G162V155-N159 WeakPolarHBondContact O-CB 3.33Å; V155-N159 PolarHBondContact O-N 3.1Å; V155-N159 PolarHBondContact O-ND2 3.36Å; V155-N159 PolarHBondContact O-OD1 3.28Å; K156-N159 PolarHBondContact O-N 3.07Å; L157-N159 VanDerWaalsContact C-N 3.33Å; L157-N159 PolarHBondContact O-N 2.72Å; N159-S161 PolarHBondContact O-N 3.5Å; N159-G162 PolarHBondContact O-N 2.71Å; N159-G162 VanDerWaalsContact O-N 3.13Å
160L95.2Very high97Very high96 Ų9627.6 Ų27.650%0.50315%0.15SC..Hα-helixtrans-65.6-25.1174.3-67.4172.5000113.1F112 K156 L157 I158 G162F112-L160 HydrophobicContact CB-CB 4.43Å; F112-L160 HydrophobicContact CB-CD1 3.97Å; F112-L160 HydrophobicContact CD1-CB 4.11Å; F112-L160 HydrophobicContact CD1-CD1 4.31Å; F112-L160 HydrophobicContact CD2-CB 4.2Å; F112-L160 HydrophobicContact CE1-CB 4.4Å; F112-L160 HydrophobicContact CE2-CB 4.49Å; F112-L160 HydrophobicContact CG-CB 4Å; F112-L160 HydrophobicContact CG-CD1 4.28Å; K156-L160 WeakPolarHBondContact O-CG 3.32Å; K156-L160 PolarHBondContact O-N 3.32Å; L157-L160 HydrophobicContact CD2-CD1 4.4Å; L157-L160 WeakPolarHBondContact O-CB 3.37Å; L157-L160 PolarHBondContact O-N 2.95Å; I158-L160 PolarHBondContact O-N 3.02Å; L160-G162 VanDerWaalsContact C-N 3.32Å
161S92.4Very high97.2Very high19 Ų1924.9 Ų24.913%0.13313%0.13CC..Hα-helixtrans-81-12.3174.573.90000113.7L132 I158 N159 A163L132-S161 WeakPolarHBondContact CB-OG 3.37Å; L132-S161 WeakPolarHBondContact CD1-OG 3.34Å; I158-S161 WeakPolarHBondContact O-CB 3.38Å; I158-S161 PolarHBondContact O-N 2.88Å; I158-S161 PolarHBondContact O-OG 3.04Å; N159-S161 PolarHBondContact O-N 3.5Å; S161-A163 PolarHBondContact O-N 3.22Å; S161-A163 WeakPolarHBondContact OG-CB 3.32Å; S161-A163 PolarHBondContact OG-N 3.31Å
162G94.5Very high97.2Very high45 Ų4524.7 Ų24.746%0.46413%0.13SC..THydrogen-bonded Turntrans79.3-5.3-173.300000114.8N159 L160N159-G162 PolarHBondContact O-N 2.71Å; N159-G162 VanDerWaalsContact O-N 3.13Å; L160-G162 VanDerWaalsContact C-N 3.32Å
163A97.9Very high97.2Very high4 Ų423.6 Ų23.63%0.03312%0.124CC..PPolyproline II helixtrans-63.8152.9175.400000112.1L132 K133 D136 V138 I158 S161L132-A163 HydrophobicContact CB-CB 4.13Å; L132-A163 HydrophobicContact CD1-CB 4.24Å; K133-A163 WeakPolarHBondContact O-CA 3.5Å; K133-A163 WeakPolarHBondContact O-CB 3.29Å; D136-A163 HydrophobicContact CB-CB 3.95Å; V138-A163 HydrophobicContact CG2-CB 4.06Å; I158-A163 HydrophobicContact CG2-CB 4.02Å; S161-A163 PolarHBondContact O-N 3.22Å; S161-A163 WeakPolarHBondContact OG-CB 3.32Å; S161-A163 PolarHBondContact OG-N 3.31Å
164R97.9Very high97.2Very high138 Ų13824.9 Ų24.952%0.52113%0.131SC..EExtended strand (participates in β ladder)trans-95.2126-179.9-179.3-177.8175.9172.4-1110.7D136 N137 V138 L166D136-R164 PolarHBondContact O-N 2.96Å; N137-R164 WeakPolarHBondContact CA-O 3.37Å; V138-R164 PolarHBondContact N-O 3Å; R164-L166 HydrophobicContact CG-CD2 4.21Å
165I98.6Very high97.1Very high16 Ų1630.6 Ų30.68%0.08216%0.155CC..EExtended strand (participates in β ladder)trans-86116.7170.2-51.8170.3000108.5L140 V155 I158 V188L140-I165 HydrophobicContact CB-CG2 4.37Å; V155-I165 HydrophobicContact CB-CD1 3.94Å; V155-I165 HydrophobicContact CG1-CD1 3.82Å; V155-I165 HydrophobicContact CG2-CD1 3.84Å; I158-I165 HydrophobicContact CB-CD1 3.93Å; I158-I165 HydrophobicContact CB-CG1 4.08Å; I158-I165 HydrophobicContact CD1-CD1 4.02Å; I158-I165 HydrophobicContact CD1-CG1 4.14Å; I158-I165 HydrophobicContact CG2-CD1 3.96Å; I158-I165 HydrophobicContact CG2-CG1 3.54Å; I165-V188 HydrophobicContact CB-CG2 4.16Å; I165-V188 HydrophobicContact CD1-CG2 4.13Å; I165-V188 HydrophobicContact CG2-CG1 3.68Å; I165-V188 HydrophobicContact CG2-CG2 4.09Å
166L98.6Very high96.8Very high2 Ų234.6 Ų34.61%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-76.3-41.1174.9-61.3-169000111.5I66 F70 T71 I73 N137 V138 R164 P189I66-L166 HydrophobicContact CG2-CB 3.99Å; I66-L166 HydrophobicContact CG2-CD1 4.44Å; F70-L166 HydrophobicContact CB-CD1 4.23Å; F70-L166 HydrophobicContact CB-CD2 4.06Å; F70-L166 HydrophobicContact CD2-CB 4.47Å; T71-L166 HydrophobicContact CG2-CD1 3.89Å; T71-L166 HydrophobicContact CG2-CD2 3.89Å; T71-L166 WeakPolarHBondContact O-CD1 3.41Å; I73-L166 HydrophobicContact CG1-CD1 3.97Å; N137-L166 HydrophobicContact CB-CD1 3.87Å; N137-L166 HydrophobicContact CB-CD2 4.13Å; N137-L166 HydrophobicContact CB-CG 3.93Å; V138-L166 PolarHBondContact O-N 3.26Å; R164-L166 HydrophobicContact CG-CD2 4.21Å; L166-P189 WeakPolarHBondContact O-CD 3.46Å
167S98.6Very high96.6Very high0 Ų035.3 Ų35.30%020%0.203CC..EExtended strand (participates in β ladder)trans-169.3163.8179.3-169.60000111V139 L140 P189 H191V139-S167 WeakPolarHBondContact CA-O 3.36Å; L140-S167 PolarHBondContact N-O 3.38Å; S167-P189 CarbonylContact C-O 3.5Å; S167-P189 WeakPolarHBondContact CA-O 3.27Å; S167-P189 PolarHBondContact OG-O 3.43Å; S167-H191 PolarHBondContact OG-CE1 3.38Å; S167-H191 PolarHBondContact OG-ND1 3.3Å
168S98.7Very high96.6Very high0 Ų037.5 Ų37.50%023%0.226CC..EExtended strand (participates in β ladder)trans-93.8142157.860.10000111.5L140 P189 V190 H191L140-S168 CarbonylContact O-C 3.59Å; L140-S168 WeakPolarHBondContact O-CA 3.49Å; S168-P189 PolarHBondContact N-O 3.01Å; S168-P189 PolarHBondContact OG-O 2.73Å; S168-V190 WeakPolarHBondContact OG-CA 3.39Å; S168-V190 WeakPolarHBondContact OG-CG2 3.48Å; S168-H191 PolarHBondContact O-N 3.4Å
169L98.8Very high96.5Very high0 Ų037.6 Ų37.60%023%0.227CC..EExtended strand (participates in β ladder)trans-129.8121.3-179.6176.459.3000110L58 V61 A62 I66 L90 V139 L140 F141 D142 H191L58-L169 HydrophobicContact CB-CD2 4.34Å; L58-L169 HydrophobicContact CD2-CD1 4.03Å; L58-L169 HydrophobicContact CD2-CD2 4.04Å; L58-L169 HydrophobicContact CD2-CG 3.87Å; V61-L169 HydrophobicContact CB-CD1 4.06Å; V61-L169 HydrophobicContact CG1-CD1 3.59Å; A62-L169 HydrophobicContact CB-CD2 4.24Å; I66-L169 HydrophobicContact CD1-CB 4.32Å; L90-L169 HydrophobicContact CD2-CD2 3.91Å; V139-L169 HydrophobicContact CG2-CB 3.68Å; L140-L169 PolarHBondContact O-N 3.01Å; F141-L169 WeakPolarHBondContact CA-O 3.37Å; F141-L169 HydrophobicContact CD2-CB 4.37Å; F141-L169 HydrophobicContact CD2-CD2 4.49Å; F141-L169 HydrophobicContact CD2-CG 4.28Å; F141-L169 VanDerWaalsContact CD2-O 3.26Å; F141-L169 WeakPolarHBondContact CD2-O 3.17Å; D142-L169 PolarHBondContact N-O 3.35Å; L169-H191 WeakPolarHBondContact CA-O 3.49Å; L169-H191 HydrophobicContact CD1-CB 4.03Å
170L98.5Very high96.6Very high1 Ų136.4 Ų36.41%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-133163.7-176.1-48.7100.8000113.2D142 L145 L151 V190 H191 T192 L193D142-L170 HydrophobicContact CB-CD2 3.95Å; D142-L170 VanDerWaalsContact O-CA 3.22Å; D142-L170 WeakPolarHBondContact O-CA 3.38Å; L145-L170 HydrophobicContact CB-CD1 4.24Å; L145-L170 HydrophobicContact CB-CD2 3.95Å; L151-L170 HydrophobicContact CD1-CD2 3.81Å; L151-L170 HydrophobicContact CD2-CD1 3.95Å; L151-L170 HydrophobicContact CD2-CD2 3.95Å; L151-L170 HydrophobicContact CD2-CG 4.42Å; L151-L170 HydrophobicContact CG-CD2 4.38Å; L170-V190 HydrophobicContact CD1-CG1 4.16Å; L170-H191 PolarHBondContact N-O 3.24Å; L170-T192 HydrophobicContact CB-CG2 3.97Å; L170-T192 HydrophobicContact CD1-CG2 3.93Å; L170-T192 WeakPolarHBondContact O-CA 3.19Å; L170-L193 PolarHBondContact O-N 3.07Å
171F97.5Very high96.7Very high0 Ų037.9 Ų37.90%022%0.219CC..EExtended strand (participates in β ladder)trans-70.5-53.3172.3-49.9-17.9000109.3F41 F45 L54 L58 L86 F141 D143 L193 F194F41-F171 AromaticContact CD1-CD2 3.82Å; F41-F171 HydrophobicContact CD1-CD2 3.82Å; F41-F171 AromaticContact CD2-CD2 3.93Å; F41-F171 HydrophobicContact CD2-CD2 3.93Å; F41-F171 HydrophobicContact CE1-CB 4.02Å; F41-F171 HydrophobicContact CE1-CD2 4.01Å; F41-F171 HydrophobicContact CE1-CG 4.48Å; F41-F171 HydrophobicContact CE2-CB 4.38Å; F41-F171 HydrophobicContact CE2-CD2 4.05Å; F41-F171 AromaticContact CG-CD2 3.81Å; F41-F171 HydrophobicContact CG-CD2 3.81Å; F41-F171 HydrophobicContact CG-CE2 4.31Å; F41-F171 HydrophobicContact CZ-CB 3.83Å; F41-F171 HydrophobicContact CZ-CD2 4.09Å; F41-F171 HydrophobicContact CZ-CG 4.49Å; F45-F171 HydrophobicContact CE2-CE2 4.44Å; F45-F171 HydrophobicContact CZ-CE2 4.04Å; F45-F171 HydrophobicContact CZ-CZ 4.31Å; L54-F171 HydrophobicContact CD1-CD1 4.03Å; L54-F171 HydrophobicContact CD1-CE1 4.4Å; L54-F171 HydrophobicContact CD1-CG 4.27Å; L54-F171 HydrophobicContact CD2-CD1 4.4Å; L54-F171 HydrophobicContact CD2-CD2 4.15Å; L54-F171 HydrophobicContact CD2-CE1 4.23Å; L54-F171 HydrophobicContact CD2-CE2 3.96Å; L54-F171 HydrophobicContact CD2-CG 4.39Å; L54-F171 HydrophobicContact CD2-CZ 4.02Å; L54-F171 HydrophobicContact CG-CE1 4.43Å; L58-F171 HydrophobicContact CD1-CD1 4.06Å; L58-F171 HydrophobicContact CD1-CE1 3.53Å; L58-F171 HydrophobicContact CD2-CD1 4.04Å; L58-F171 HydrophobicContact CD2-CE1 4.26Å; L58-F171 HydrophobicContact CG-CE1 4.43Å; L86-F171 HydrophobicContact CB-CE1 4.47Å; L86-F171 HydrophobicContact CB-CZ 4.14Å; L86-F171 HydrophobicContact CD1-CE1 4.09Å; L86-F171 HydrophobicContact CD1-CZ 3.8Å; L86-F171 HydrophobicContact CG-CZ 4.23Å; F141-F171 HydrophobicContact CE1-CE1 4.36Å; F141-F171 AromaticContact CE2-CE1 3.99Å; F141-F171 HydrophobicContact CE2-CE1 3.99Å; F141-F171 HydrophobicContact CZ-CD1 4.46Å; F141-F171 AromaticContact CZ-CE1 3.48Å; F141-F171 HydrophobicContact CZ-CE1 3.48Å; F141-F171 VanDerWaalsContact CZ-CE1 3.48Å; F141-F171 HydrophobicContact CZ-CZ 4.02Å; D143-F171 HydrophobicContact CB-CD2 3.64Å; D143-F171 HydrophobicContact CB-CE2 3.72Å; D143-F171 HydrophobicContact CB-CG 4.32Å; D143-F171 HydrophobicContact CB-CZ 4.45Å; D143-F171 WeakPolarHBondContact O-CA 3.36Å; D143-F171 VanDerWaalsContact O-CB 3.22Å; D143-F171 WeakPolarHBondContact O-CB 3.42Å; D143-F171 PolarHBondContact O-N 2.81Å; F171-L193 WeakPolarHBondContact O-CB 3.16Å; F171-L193 PolarHBondContact O-N 3.13Å; F171-L193 VanDerWaalsContact O-N 3.07Å; F171-F194 HydrophobicContact CB-CE1 4.15Å; F171-F194 HydrophobicContact CB-CZ 3.73Å; F171-F194 WeakPolarHBondContact O-CD1 3.4Å; F171-F194 WeakPolarHBondContact O-CE1 3.44Å; F171-F194 WeakPolarHBondContact O-CZ 3.41Å; F171-F194 PolarHBondContact O-N 2.83Å; F171-F194 VanDerWaalsContact O-N 3.1Å
172V96.8Very high97Very high0 Ų042.4 Ų42.40%023%0.233CC..EExtended strand (participates in β ladder)trans-133.1145.3-171.469.20000113.6W39 F41 D143 V144 L145 L174 F194 A196W39-V172 HydrophobicContact CE3-CG2 4.23Å; W39-V172 HydrophobicContact CZ3-CG2 4.42Å; F41-V172 HydrophobicContact CE2-CG1 3.99Å; F41-V172 HydrophobicContact CZ-CB 4.11Å; F41-V172 HydrophobicContact CZ-CG1 3.77Å; D143-V172 PolarHBondContact O-N 3.44Å; D143-V172 VanDerWaalsContact O-N 3.07Å; V144-V172 HydrophobicContact CB-CG1 4Å; V144-V172 HydrophobicContact CG1-CG1 3.99Å; V144-V172 HydrophobicContact CG2-CG1 3.56Å; L145-V172 PolarHBondContact N-O 2.88Å; V172-L174 HydrophobicContact CG1-CD2 4.43Å; V172-L174 HydrophobicContact CG2-CD2 4.23Å; V172-F194 WeakPolarHBondContact CA-O 3.41Å; V172-F194 HydrophobicContact CB-CD2 3.63Å; V172-F194 HydrophobicContact CB-CE2 3.31Å; V172-F194 HydrophobicContact CB-CZ 3.99Å; V172-F194 HydrophobicContact CG1-CE2 4.34Å; V172-F194 HydrophobicContact CG2-CD2 3.41Å; V172-F194 VanDerWaalsContact CG2-CD2 3.41Å; V172-F194 HydrophobicContact CG2-CE2 3.54Å; V172-F194 HydrophobicContact CG2-CG 4.49Å; V172-A196 HydrophobicContact CG2-CB 4.03Å
173E97.2Very high97.2Very high17 Ų1740.3 Ų40.38%0.07921%0.211CC..EExtended strand (participates in β ladder)trans-108.7126.7163.1173.7-179.2-171.700110.3L145 R180 T192 F194 Q195 A196L145-E173 HydrophobicContact CB-CB 4.41Å; L145-E173 HydrophobicContact CD2-CB 4.44Å; L145-E173 HydrophobicContact CD2-CG 4.09Å; L145-E173 HydrophobicContact CG-CG 4.47Å; E173-R180 VanDerWaalsContact OE1-CB 3.28Å; E173-R180 WeakPolarHBondContact OE1-CB 3.49Å; E173-R180 IonicContact OE1-CZ 3.03Å; E173-R180 IonicContact OE1-NE 3.69Å; E173-R180 PolarHBondContact OE1-NE 3.48Å; E173-R180 IonicContact OE1-NH2 2.86Å; E173-R180 IonicContact OE2-CZ 2.96Å; E173-R180 IonicContact OE2-NE 2.62Å; E173-R180 PolarHBondContact OE2-NE 3.49Å; E173-R180 VanDerWaalsContact OE2-NE 3.11Å; E173-R180 IonicContact OE2-NH2 3.13Å; E173-R180 PolarHBondContact OE2-NH2 2.92Å; E173-T192 HydrophobicContact CB-CG2 3.68Å; E173-F194 PolarHBondContact N-O 2.75Å; E173-Q195 HydrophobicContact CB-CG 4.3Å; E173-Q195 WeakPolarHBondContact O-CA 3.38Å; E173-Q195 PolarHBondContact OE2-NE2 2.85Å; E173-A196 PolarHBondContact O-N 2.77Å
174L95.3Very high97.2Very high28 Ų2844.1 Ų44.115%0.14723%0.228CC..  trans-87.8108.4169.9-51.7-173.4000108.8W39 V144 L145 A146 V172 L177 A196W39-L174 HydrophobicContact CD2-CD2 4.08Å; W39-L174 HydrophobicContact CG-CD2 4.06Å; W39-L174 HydrophobicContact CZ2-CD2 4.47Å; V144-L174 HydrophobicContact CG1-CD1 3.98Å; V144-L174 HydrophobicContact CG1-CG 3.97Å; L145-L174 PolarHBondContact O-N 3.15Å; A146-L174 HydrophobicContact CB-CD1 4.14Å; V172-L174 HydrophobicContact CG1-CD2 4.43Å; V172-L174 HydrophobicContact CG2-CD2 4.23Å; L174-L177 HydrophobicContact CB-CD1 3.86Å; L174-L177 HydrophobicContact CB-CG 4.48Å; L174-L177 HydrophobicContact CD1-CD1 4.21Å; L174-A196 HydrophobicContact CD2-CB 3.93Å
175K94.6Very high97.2Very high120 Ų12042.4 Ų42.452%0.52223%0.229SC..THydrogen-bonded Turntrans-66157.1-177.6-67.4-169.2-176.3-168.70111.6L177 Q195 A196K175-L177 PolarHBondContact O-N 3.35Å; K175-Q195 HydrophobicContact CD-CB 4.41Å; K175-Q195 HydrophobicContact CG-CB 4.31Å; K175-A196 WeakPolarHBondContact CB-O 3.48Å; K175-A196 PolarHBondContact N-O 3.22Å
176G92.9Very high97.2Very high84 Ų8443.5 Ų43.587%0.86624%0.235SC*.THydrogen-bonded Turntrans79.4-5175.200000114.9
177L93.7Very high97.2Very high86 Ų8650.6 Ų50.645%0.4527%0.273SS..SBendtrans-94.10.5178.2-57.8-174.2000114.1A146 T147 L174 K175 G179A146-L177 HydrophobicContact CB-CD1 3.91Å; T147-L177 HydrophobicContact CG2-CB 4.43Å; L174-L177 HydrophobicContact CB-CD1 3.86Å; L174-L177 HydrophobicContact CB-CG 4.48Å; L174-L177 HydrophobicContact CD1-CD1 4.21Å; K175-L177 PolarHBondContact O-N 3.35Å; L177-G179 PolarHBondContact O-N 2.87Å; L177-G179 VanDerWaalsContact O-N 3.16Å
178G95.8Very high97.2Very high46 Ų4650.9 Ų50.947%0.47428%0.275SS..  trans714177.200000115.6R180 K181 R182G178-R180 PolarHBondContact O-N 2.81Å; G178-K181 PolarHBondContact O-N 3.44Å; G178-R182 PolarHBondContact O-N 2.96Å
179G96.9Very high97.2Very high3 Ų352.5 Ų52.53%0.03129%0.285CS..Hα-helixtrans-59.2-44.5-175.600000114.1A146 T147 L177 K181 R182 I183A146-G179 VanDerWaalsContact O-CA 3.26Å; A146-G179 WeakPolarHBondContact O-CA 3.3Å; A146-G179 PolarHBondContact O-N 3.04Å; T147-G179 VanDerWaalsContact C-CA 3.44Å; T147-G179 WeakPolarHBondContact O-CA 3.36Å; L177-G179 PolarHBondContact O-N 2.87Å; L177-G179 VanDerWaalsContact O-N 3.16Å; G179-K181 PolarHBondContact O-N 2.89Å; G179-R182 WeakPolarHBondContact O-CB 3.31Å; G179-R182 PolarHBondContact O-N 3.24Å; G179-I183 WeakPolarHBondContact O-CG1 3.28Å; G179-I183 PolarHBondContact O-N 3.27Å; G179-I183 VanDerWaalsContact O-N 3.16Å
180R98.3Very high97.1Very high59 Ų5953 Ų5322%0.22329%0.288CS..Hα-helixtrans-57.6-52.2177.4171.3177.3-65.8-82.5-2.8111.8L145 E173 G178 R182 I183 E184 V190L145-R180 HydrophobicContact CD2-CB 4.21Å; E173-R180 VanDerWaalsContact OE1-CB 3.28Å; E173-R180 WeakPolarHBondContact OE1-CB 3.49Å; E173-R180 IonicContact OE1-CZ 3.03Å; E173-R180 IonicContact OE1-NE 3.69Å; E173-R180 PolarHBondContact OE1-NE 3.48Å; E173-R180 IonicContact OE1-NH2 2.86Å; E173-R180 IonicContact OE2-CZ 2.96Å; E173-R180 IonicContact OE2-NE 2.62Å; E173-R180 PolarHBondContact OE2-NE 3.49Å; E173-R180 VanDerWaalsContact OE2-NE 3.11Å; E173-R180 IonicContact OE2-NH2 3.13Å; E173-R180 PolarHBondContact OE2-NH2 2.92Å; G178-R180 PolarHBondContact O-N 2.81Å; R180-R182 VanDerWaalsContact C-N 3.29Å; R180-R182 PolarHBondContact O-N 3.08Å; R180-I183 PolarHBondContact O-N 3.03Å; R180-I183 VanDerWaalsContact O-N 3.08Å; R180-E184 WeakPolarHBondContact CD-OE1 3.4Å; R180-E184 HydrophobicContact CG-CG 4.2Å; R180-E184 VanDerWaalsContact CG-OE1 3.23Å; R180-E184 WeakPolarHBondContact CG-OE1 3.26Å; R180-E184 IonicContact CZ-OE1 3.9Å; R180-E184 IonicContact NH1-OE1 3.25Å; R180-E184 PolarHBondContact NH1-OE1 2.92Å; R180-E184 WeakPolarHBondContact O-CG 3.34Å; R180-E184 PolarHBondContact O-N 2.62Å; R180-V190 HydrophobicContact CG-CB 4.43Å; R180-V190 HydrophobicContact CG-CG2 4.5Å; R180-V190 PolarHBondContact NH1-O 2.87Å; R180-V190 PolarHBondContact NH2-O 2.83Å
181K98.3Very high97.2Very high128 Ų12854.6 Ų54.656%0.55730%0.296SS*.Hα-helixtrans-56.2-46.3178.7-173.7-172.9-177.3-53.70110.9G178 G179 I183 E184 D185G178-K181 PolarHBondContact O-N 3.44Å; G179-K181 PolarHBondContact O-N 2.89Å; K181-I183 PolarHBondContact O-N 2.86Å; K181-E184 PolarHBondContact O-N 3.03Å; K181-D185 VanDerWaalsContact NZ-CG 3.25Å; K181-D185 IonicContact NZ-OD1 2.73Å; K181-D185 PolarHBondContact NZ-OD1 3.41Å; K181-D185 IonicContact NZ-OD2 3.89Å; K181-D185 PolarHBondContact NZ-OD2 3.42Å; K181-D185 WeakPolarHBondContact O-CB 3.42Å; K181-D185 PolarHBondContact O-N 3.11Å
182R98Very high97.2Very high114 Ų11455.8 Ų55.843%0.4330%0.303SS..Hα-helixtrans-55.1-38.9178177.9-174.5-72.2-103.2-0.7112.7T147 E152 G178 G179 R180 L186T147-R182 VanDerWaalsContact O-CD 3.24Å; T147-R182 WeakPolarHBondContact O-CD 2.96Å; T147-R182 PolarHBondContact O-NE 3.16Å; E152-R182 VanDerWaalsContact OE2-CD 3.27Å; E152-R182 WeakPolarHBondContact OE2-CD 3.47Å; E152-R182 IonicContact OE2-CZ 3.59Å; E152-R182 IonicContact OE2-NE 3.01Å; E152-R182 IonicContact OE2-NH1 3.57Å; E152-R182 PolarHBondContact OE2-NH1 3.35Å; G178-R182 PolarHBondContact O-N 2.96Å; G179-R182 WeakPolarHBondContact O-CB 3.31Å; G179-R182 PolarHBondContact O-N 3.24Å; R180-R182 VanDerWaalsContact C-N 3.29Å; R180-R182 PolarHBondContact O-N 3.08Å; R182-L186 WeakPolarHBondContact O-CG 3.24Å
183I98.5Very high97.2Very high0 Ų056.4 Ų56.40%031%0.306CS..Hα-helixtrans-83-38.3-178.6-58.6-51.6000112.1L145 L151 E152 G179 R180 K181 D185 L186 V188 V190L145-I183 HydrophobicContact CD1-CG1 4.48Å; L151-I183 HydrophobicContact CB-CD1 3.46Å; L151-I183 VanDerWaalsContact CB-CD1 3.46Å; L151-I183 HydrophobicContact CB-CG1 3.88Å; L151-I183 HydrophobicContact CD2-CG1 4.25Å; E152-I183 HydrophobicContact CB-CD1 4.05Å; E152-I183 VanDerWaalsContact N-CD1 3.35Å; G179-I183 WeakPolarHBondContact O-CG1 3.28Å; G179-I183 PolarHBondContact O-N 3.27Å; G179-I183 VanDerWaalsContact O-N 3.16Å; R180-I183 PolarHBondContact O-N 3.03Å; R180-I183 VanDerWaalsContact O-N 3.08Å; K181-I183 PolarHBondContact O-N 2.86Å; I183-D185 VanDerWaalsContact C-N 3.33Å; I183-D185 PolarHBondContact O-N 3.48Å; I183-L186 HydrophobicContact CD1-CD1 4.45Å; I183-L186 WeakPolarHBondContact O-CA 3.23Å; I183-L186 WeakPolarHBondContact O-CB 3.38Å; I183-L186 PolarHBondContact O-N 3.33Å; I183-V188 CarbonylContact C-O 3.6Å; I183-V188 HydrophobicContact CG2-CB 3.78Å; I183-V188 HydrophobicContact CG2-CG1 3.82Å; I183-V188 PolarHBondContact O-N 3.16Å; I183-V190 HydrophobicContact CB-CG2 3.76Å; I183-V190 HydrophobicContact CG2-CG2 3.68Å
184E98.3Very high97Very high85 Ų8556.5 Ų56.540%0.39731%0.306SS..Hα-helixtrans-68.6-31.7176.3-71173.7177.300112.1R180 K181 L186 D187 V190R180-E184 WeakPolarHBondContact CD-OE1 3.4Å; R180-E184 HydrophobicContact CG-CG 4.2Å; R180-E184 VanDerWaalsContact CG-OE1 3.23Å; R180-E184 WeakPolarHBondContact CG-OE1 3.26Å; R180-E184 IonicContact CZ-OE1 3.9Å; R180-E184 IonicContact NH1-OE1 3.25Å; R180-E184 PolarHBondContact NH1-OE1 2.92Å; R180-E184 WeakPolarHBondContact O-CG 3.34Å; R180-E184 PolarHBondContact O-N 2.62Å; K181-E184 PolarHBondContact O-N 3.03Å; E184-L186 PolarHBondContact O-N 2.87Å; E184-L186 VanDerWaalsContact O-N 3.15Å; E184-D187 PolarHBondContact O-N 2.85Å; E184-V190 HydrophobicContact CG-CG2 4.23Å
185D98.4Very high96.9Very high102 Ų10258.9 Ų58.955%0.54532%0.317SS..THydrogen-bonded Turntrans-63.3-13.8170.3-69.9-19.1000112.5K181 I183K181-D185 VanDerWaalsContact NZ-CG 3.25Å; K181-D185 IonicContact NZ-OD1 2.73Å; K181-D185 PolarHBondContact NZ-OD1 3.41Å; K181-D185 IonicContact NZ-OD2 3.89Å; K181-D185 PolarHBondContact NZ-OD2 3.42Å; K181-D185 WeakPolarHBondContact O-CB 3.42Å; K181-D185 PolarHBondContact O-N 3.11Å; I183-D185 VanDerWaalsContact C-N 3.33Å; I183-D185 PolarHBondContact O-N 3.48Å
186L98.1Very high96.6Very high39 Ų3956.3 Ų56.320%0.20432%0.318CS..THydrogen-bonded Turntrans-98.215.5172.8-58.8172.5000112.4E152 V155 R182 I183 E184 V188E152-L186 HydrophobicContact CB-CD1 4.07Å; E152-L186 HydrophobicContact CG-CD1 3.84Å; V155-L186 HydrophobicContact CB-CD1 4.35Å; V155-L186 HydrophobicContact CG1-CB 4.22Å; V155-L186 HydrophobicContact CG1-CD1 4.1Å; R182-L186 WeakPolarHBondContact O-CG 3.24Å; I183-L186 HydrophobicContact CD1-CD1 4.45Å; I183-L186 WeakPolarHBondContact O-CA 3.23Å; I183-L186 WeakPolarHBondContact O-CB 3.38Å; I183-L186 PolarHBondContact O-N 3.33Å; E184-L186 PolarHBondContact O-N 2.87Å; E184-L186 VanDerWaalsContact O-N 3.15Å; L186-V188 PolarHBondContact O-N 3.37Å
187D97.9Very high96.8Very high151 Ų15154.9 Ų54.981%0.80729%0.29SS*.THydrogen-bonded Turntrans60.525.4-176.5-61.3-56.2000114.2E184E184-D187 PolarHBondContact O-N 2.85Å
188V98.5Very high97Very high6 Ų653.3 Ų53.34%0.03628%0.282CS..  trans-109.4111.9177.6177.60000110.2V155 I165 I183 L186V155-V188 HydrophobicContact CG1-CG2 3.98Å; V155-V188 HydrophobicContact CG2-CB 4.4Å; V155-V188 HydrophobicContact CG2-CG1 4.43Å; V155-V188 HydrophobicContact CG2-CG2 3.92Å; I165-V188 HydrophobicContact CB-CG2 4.16Å; I165-V188 HydrophobicContact CD1-CG2 4.13Å; I165-V188 HydrophobicContact CG2-CG1 3.68Å; I165-V188 HydrophobicContact CG2-CG2 4.09Å; I183-V188 CarbonylContact C-O 3.6Å; I183-V188 HydrophobicContact CG2-CB 3.78Å; I183-V188 HydrophobicContact CG2-CG1 3.82Å; I183-V188 PolarHBondContact O-N 3.16Å; L186-V188 PolarHBondContact O-N 3.37Å
189P98.4Very high97Very high34 Ų3453.7 Ų53.722%0.22127%0.271CS..  trans-60.9146.1175.1-2130.4000112.2F70 L166 S167 S168F70-P189 HydrophobicContact CE2-CG 4.11Å; F70-P189 HydrophobicContact CZ-CB 4.46Å; F70-P189 HydrophobicContact CZ-CG 3.61Å; L166-P189 WeakPolarHBondContact O-CD 3.46Å; S167-P189 CarbonylContact C-O 3.5Å; S167-P189 WeakPolarHBondContact CA-O 3.27Å; S167-P189 PolarHBondContact OG-O 3.43Å; S168-P189 PolarHBondContact N-O 3.01Å; S168-P189 PolarHBondContact OG-O 2.73Å
190V98.6Very high97.1Very high9 Ų956.6 Ų56.66%0.05529%0.285CS..EExtended strand (participates in β ladder)trans-114.5120.2179.2175.20000111L145 S168 L170 R180 I183 E184 T192L145-V190 HydrophobicContact CD2-CG1 3.51Å; L145-V190 HydrophobicContact CD2-CG2 4.5Å; S168-V190 WeakPolarHBondContact OG-CA 3.39Å; S168-V190 WeakPolarHBondContact OG-CG2 3.48Å; L170-V190 HydrophobicContact CD1-CG1 4.16Å; R180-V190 HydrophobicContact CG-CB 4.43Å; R180-V190 HydrophobicContact CG-CG2 4.5Å; R180-V190 PolarHBondContact NH1-O 2.87Å; R180-V190 PolarHBondContact NH2-O 2.83Å; I183-V190 HydrophobicContact CB-CG2 3.76Å; I183-V190 HydrophobicContact CG2-CG2 3.68Å; E184-V190 HydrophobicContact CG-CG2 4.23Å; V190-T192 HydrophobicContact CG1-CG2 4.11Å
191H98.6Very high97Very high35 Ų3556.5 Ų56.516%0.16229%0.289CS..EExtended strand (participates in β ladder)trans-111.6131.6169.7-6380.1000110.6V61 E65 I66 S167 S168 L169 L170V61-H191 HydrophobicContact CG1-CB 3.71Å; E65-H191 IonicContact OE2-CD2 3.6Å; I66-H191 HydrophobicContact CD1-CB 4.47Å; S167-H191 PolarHBondContact OG-CE1 3.38Å; S167-H191 PolarHBondContact OG-ND1 3.3Å; S168-H191 PolarHBondContact O-N 3.4Å; L169-H191 WeakPolarHBondContact CA-O 3.49Å; L169-H191 HydrophobicContact CD1-CB 4.03Å; L170-H191 PolarHBondContact N-O 3.24Å
192T98.1Very high96.9Very high25 Ų2551.7 Ų51.715%0.15327%0.271CS..EExtended strand (participates in β ladder)trans-132.6147.2175.257.40000109.9L170 E173 V190L170-T192 HydrophobicContact CB-CG2 3.97Å; L170-T192 HydrophobicContact CD1-CG2 3.93Å; L170-T192 WeakPolarHBondContact O-CA 3.19Å; E173-T192 HydrophobicContact CB-CG2 3.68Å; V190-T192 HydrophobicContact CG1-CG2 4.11Å
193L97.1Very high96.8Very high14 Ų1447.3 Ų47.37%0.07326%0.26CS..EExtended strand (participates in β ladder)trans-76-33.6179-61.1-174.4000112.5L18 L54 E57 L58 V61 L170 F171L18-L193 HydrophobicContact CD2-CB 3.97Å; L54-L193 HydrophobicContact CD1-CD1 3.41Å; L54-L193 VanDerWaalsContact CD1-CD1 3.41Å; E57-L193 HydrophobicContact CB-CD1 3.84Å; E57-L193 HydrophobicContact CB-CD2 4Å; L58-L193 HydrophobicContact CD2-CD1 3.84Å; L58-L193 HydrophobicContact CD2-CD2 4.36Å; L58-L193 HydrophobicContact CD2-CG 4.05Å; L58-L193 HydrophobicContact CG-CD1 3.98Å; V61-L193 HydrophobicContact CG2-CD2 3.69Å; L170-L193 PolarHBondContact O-N 3.07Å; F171-L193 WeakPolarHBondContact O-CB 3.16Å; F171-L193 PolarHBondContact O-N 3.13Å; F171-L193 VanDerWaalsContact O-N 3.07Å
194F92.3Very high96.7Very high18 Ų1850.9 Ų50.98%0.07928%0.28CS..EExtended strand (participates in β ladder)trans-144.6159.8175.940.3-80.9000110.9I21 F41 F171 V172 E173I21-F194 HydrophobicContact CG2-CE1 4.3Å; F41-F194 AromaticContact CE1-CE2 3.82Å; F41-F194 HydrophobicContact CE1-CE2 3.82Å; F41-F194 AromaticContact CE1-CZ 3.38Å; F41-F194 HydrophobicContact CE1-CZ 3.38Å; F41-F194 AromaticContact CZ-CE2 3.75Å; F41-F194 HydrophobicContact CZ-CE2 3.75Å; F41-F194 AromaticContact CZ-CZ 3.64Å; F41-F194 HydrophobicContact CZ-CZ 3.64Å; F171-F194 HydrophobicContact CB-CE1 4.15Å; F171-F194 HydrophobicContact CB-CZ 3.73Å; F171-F194 WeakPolarHBondContact O-CD1 3.4Å; F171-F194 WeakPolarHBondContact O-CE1 3.44Å; F171-F194 WeakPolarHBondContact O-CZ 3.41Å; F171-F194 PolarHBondContact O-N 2.83Å; F171-F194 VanDerWaalsContact O-N 3.1Å; V172-F194 WeakPolarHBondContact CA-O 3.41Å; V172-F194 HydrophobicContact CB-CD2 3.63Å; V172-F194 HydrophobicContact CB-CE2 3.31Å; V172-F194 HydrophobicContact CB-CZ 3.99Å; V172-F194 HydrophobicContact CG1-CE2 4.34Å; V172-F194 HydrophobicContact CG2-CD2 3.41Å; V172-F194 VanDerWaalsContact CG2-CD2 3.41Å; V172-F194 HydrophobicContact CG2-CE2 3.54Å; V172-F194 HydrophobicContact CG2-CG 4.49Å; E173-F194 PolarHBondContact N-O 2.75Å
195Q93.3Very high96.6Very high79 Ų7948.1 Ų48.137%0.36927%0.27SS..EExtended strand (participates in β ladder)trans-119147.2173.9-54.5179.9-3600109.4K22 E173 K175K22-Q195 PolarHBondContact NZ-O 3.26Å; E173-Q195 HydrophobicContact CB-CG 4.3Å; E173-Q195 WeakPolarHBondContact O-CA 3.38Å; E173-Q195 PolarHBondContact OE2-NE2 2.85Å; K175-Q195 HydrophobicContact CD-CB 4.41Å; K175-Q195 HydrophobicContact CG-CB 4.31Å
196A89.5Confident96.4Very high65 Ų6543.2 Ų43.254%0.53725%0.245SC..  trans-128.60-178.900000111.1W39 V172 E173 L174 K175W39-A196 HydrophobicContact CH2-CB 3.25Å; W39-A196 HydrophobicContact CZ2-CB 3.15Å; W39-A196 HydrophobicContact CZ3-CB 3.99Å; V172-A196 HydrophobicContact CG2-CB 4.03Å; E173-A196 PolarHBondContact O-N 2.77Å; L174-A196 HydrophobicContact CD2-CB 3.93Å; K175-A196 WeakPolarHBondContact CB-O 3.48Å; K175-A196 PolarHBondContact N-O 3.22Å

Retrieved 196 of 196 residues in 53.2 ms (Link to these results)

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