A0A087WYS9_HUMAN Loading...

SURF1-like protein

Component of the MITRAC (mitochondrial translation regulation assembly intermediate of cytochrome c oxidase complex) complex, that regulates cytochrome c oxidase assembly.

AlphaFold DB , UniProt , Accession A0A087WYS9, Species HUMAN (Homo sapiens, Human), Gene SURF1, Length 191 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
1M49.3Very low82.2Confident218 Ų218112.1 Ų112.1100%1.07454%0.538SS*.  0-26.90-116.8-178.5-165.800112.4
2E78.3Confident83.2Confident162 Ų162113.3 Ų113.376%0.75754%0.539SS*.THydrogen-bonded Turntrans-76.1-39.9-173.4-62.6-174.1151.600115.2K4 N5E2-K4 VanDerWaalsContact C-N 3.31Å; E2-K4 PolarHBondContact O-N 3.24Å; E2-N5 WeakPolarHBondContact O-CB 3.5Å; E2-N5 PolarHBondContact O-N 2.85Å; E2-N5 VanDerWaalsContact O-N 3.08Å
3L77.9Confident84.1Confident56 Ų56106 Ų10629%0.29351%0.506SS..G310 helixtrans-63.7-32.7-174.3-151.979.4000113.8N5 L6 V98 I135L3-N5 PolarHBondContact O-N 3.25Å; L3-L6 PolarHBondContact O-N 3.43Å; L3-L6 VanDerWaalsContact O-N 3.09Å; L3-V98 HydrophobicContact CD1-CG1 4.41Å; L3-V98 HydrophobicContact CG-CG1 4.09Å; L3-I135 HydrophobicContact CD1-CG1 4.36Å; L3-I135 HydrophobicContact CD1-CG2 4.19Å; L3-I135 HydrophobicContact CD2-CG1 4.1Å; L3-I135 HydrophobicContact CD2-CG2 4.44Å
4K81.9Confident85Confident160 Ų160105.6 Ų105.670%0.69650%0.497SS*.G310 helixtrans-62.6-32176.6-69-173.1178-177.40112.3E2 L6 L100E2-K4 VanDerWaalsContact C-N 3.31Å; E2-K4 PolarHBondContact O-N 3.24Å; K4-L6 PolarHBondContact O-N 3.3Å; K4-L100 HydrophobicContact CB-CD1 4.44Å; K4-L100 HydrophobicContact CG-CD1 4.09Å
5N86.6Confident85.8Confident113 Ų11398.5 Ų98.560%0.60446%0.464SS*.G310 helixtrans-78.3-11.9178.6-63.6-24000112.8E2 L3 R9E2-N5 WeakPolarHBondContact O-CB 3.5Å; E2-N5 PolarHBondContact O-N 2.85Å; E2-N5 VanDerWaalsContact O-N 3.08Å; L3-N5 PolarHBondContact O-N 3.25Å; N5-R9 PolarHBondContact O-NE 2.81Å; N5-R9 VanDerWaalsContact O-NE 3.11Å
6L87Confident86.5Confident59 Ų5995.5 Ų95.531%0.30946%0.456SS..G310 helixtrans-95.9-5178.5-60.1179.9000112.7L3 K4 Y8 R9 V98L3-L6 PolarHBondContact O-N 3.43Å; L3-L6 VanDerWaalsContact O-N 3.09Å; K4-L6 PolarHBondContact O-N 3.3Å; L6-Y8 PolarHBondContact O-N 3.09Å; L6-R9 VanDerWaalsContact O-CB 3.3Å; L6-R9 WeakPolarHBondContact O-CB 3.33Å; L6-R9 PolarHBondContact O-N 3.35Å; L6-V98 HydrophobicContact CB-CB 4.34Å; L6-V98 HydrophobicContact CB-CG1 4.49Å; L6-V98 HydrophobicContact CB-CG2 4.21Å; L6-V98 WeakPolarHBondContact O-CB 3.21Å
7E86.6Confident87.1Confident61 Ų6191.2 Ų91.229%0.28544%0.435SS..BIsolated β-bridgetrans-56.7132.5177.7-163.1175.8-15100110.4R9 L100E7-R9 PolarHBondContact O-N 3.37Å; E7-L100 HydrophobicContact CB-CD1 4.29Å; E7-L100 HydrophobicContact CB-CG 4.16Å; E7-L100 HydrophobicContact CG-CD1 4.39Å; E7-L100 HydrophobicContact CG-CG 4.02Å; E7-L100 PolarHBondContact OE1-N 2.67Å; E7-L100 WeakPolarHBondContact OE2-CD1 3.48Å
8Y85.1Confident87.6Confident120 Ų12089.1 Ų89.147%0.47143%0.427SS..THydrogen-bonded Turntrans65.17.4-173-55.8-77.2000116.3L6 M97 V98 R99L6-Y8 PolarHBondContact O-N 3.09Å; Y8-M97 HydrophobicContact CD1-CE 4.31Å; Y8-M97 WeakPolarHBondContact O-CE 3.25Å; Y8-V98 PolarHBondContact N-O 2.74Å; Y8-R99 PolarHBondContact OH-NH2 2.77Å
9R87.8Confident88.1Confident146 Ų14686.6 Ų86.655%0.55141%0.414SS*.  trans-88.3139171.4-60.7-166-179.1-173.3-1.7110.9N5 L6 E7 V98N5-R9 PolarHBondContact O-NE 2.81Å; N5-R9 VanDerWaalsContact O-NE 3.11Å; L6-R9 VanDerWaalsContact O-CB 3.3Å; L6-R9 WeakPolarHBondContact O-CB 3.33Å; L6-R9 PolarHBondContact O-N 3.35Å; E7-R9 PolarHBondContact O-N 3.37Å; R9-V98 PolarHBondContact O-N 3.38Å
10P90.6Very high88.4Confident105 Ų10587.4 Ų87.468%0.68243%0.429SS*.EExtended strand (participates in β ladder)trans-67.4135171.429.2-33.2000109.6G96P10-G96 CarbonylContact C-O 3.56Å; P10-G96 WeakPolarHBondContact CA-O 3.43Å
11V93.1Very high88.8Confident33 Ų3387.5 Ų87.520%0.243%0.428CS..EExtended strand (participates in β ladder)trans-129.1149.3174.3-65.40000109.1I95 G96 V98 I137V11-I95 WeakPolarHBondContact O-CA 3.39Å; V11-G96 PolarHBondContact N-O 2.99Å; V11-G96 PolarHBondContact O-N 2.98Å; V11-V98 HydrophobicContact CB-CG2 4.45Å; V11-V98 HydrophobicContact CG1-CG2 3.77Å; V11-V98 HydrophobicContact CG2-CG2 3.79Å; V11-I137 HydrophobicContact CG2-CD1 3.65Å; V11-I137 HydrophobicContact CG2-CG1 4.1Å; V11-I137 HydrophobicContact CG2-CG2 4.32Å
12K94.9Very high91Very high126 Ų12677.4 Ų77.455%0.54838%0.378SS..EExtended strand (participates in β ladder)trans-114.2130173.5-174.1178.6179-1780108.5D93 L94 I95K12-D93 WeakPolarHBondContact CE-OD2 3.39Å; K12-D93 IonicContact NZ-OD1 3.99Å; K12-D93 IonicContact NZ-OD2 2.75Å; K12-D93 PolarHBondContact NZ-OD2 3.08Å; K12-L94 WeakPolarHBondContact CA-O 3.1Å; K12-I95 HydrophobicContact CB-CG1 4.4Å; K12-I95 HydrophobicContact CG-CG1 4.14Å
13V94.8Very high91.9Very high19 Ų1970 Ų7012%0.11534%0.343CS..EExtended strand (participates in β ladder)trans-131.6148175.5-63.40000109.4F57 I66 L94 I137V13-F57 HydrophobicContact CB-CE1 4.13Å; V13-F57 HydrophobicContact CG2-CD1 4.07Å; V13-F57 HydrophobicContact CG2-CE1 3.6Å; V13-F57 HydrophobicContact CG2-CZ 4.38Å; V13-I66 HydrophobicContact CG1-CD1 4.39Å; V13-I66 HydrophobicContact CG2-CD1 4.4Å; V13-L94 HydrophobicContact CG2-CB 3.89Å; V13-L94 HydrophobicContact CG2-CD2 3.92Å; V13-L94 HydrophobicContact CG2-CG 4.38Å; V13-L94 PolarHBondContact N-O 3.26Å; V13-L94 PolarHBondContact O-N 2.87Å; V13-I137 HydrophobicContact CG1-CD1 3.91Å; V13-I137 HydrophobicContact CG2-CD1 4.11Å
14R96.8Very high92.9Very high100 Ų10068.9 Ų68.938%0.37734%0.335SS..EExtended strand (participates in β ladder)trans-119140.7175.3-174.2-174.6-64.41540.5109.9C59 T60 E91 V92 D93R14-C59 CarbonylContact O-C 3.51Å; R14-C59 VanDerWaalsContact O-CA 3.29Å; R14-C59 WeakPolarHBondContact O-CA 3.41Å; R14-T60 PolarHBondContact O-N 3.03Å; R14-T60 VanDerWaalsContact O-N 3.09Å; R14-E91 WeakPolarHBondContact CD-OE1 3.5Å; R14-E91 HydrophobicContact CG-CG 3.67Å; R14-E91 WeakPolarHBondContact CG-OE1 3.46Å; R14-V92 WeakPolarHBondContact CA-O 3.45Å; R14-D93 WeakPolarHBondContact CG-OD1 3.5Å; R14-D93 IonicContact CZ-OD1 3.66Å; R14-D93 IonicContact NE-OD1 2.64Å; R14-D93 PolarHBondContact NE-OD1 2.84Å; R14-D93 IonicContact NH2-OD1 3.57Å
15G96.6Very high93.5Very high0 Ų061.4 Ų61.40%030%0.303CS..EExtended strand (participates in β ladder)trans164-169.9-173.400000114.5F57 H58 E91 V92G15-F57 VanDerWaalsContact O-CE2 3.31Å; G15-F57 WeakPolarHBondContact O-CE2 3.36Å; G15-F57 WeakPolarHBondContact O-CZ 3.42Å; G15-H58 CarbonylContact C-O 3.58Å; G15-H58 WeakPolarHBondContact CA-O 3.5Å; G15-E91 CarbonylContact O-C 3.53Å; G15-E91 WeakPolarHBondContact O-CA 3.32Å; G15-V92 PolarHBondContact N-O 3.13Å; G15-V92 VanDerWaalsContact N-O 3.14Å; G15-V92 PolarHBondContact O-N 3.27Å
16C97.1Very high93.9Very high50 Ų5058.1 Ų58.134%0.33829%0.285SS..EExtended strand (participates in β ladder)trans-122.3151.1-18058.80000111.9F57 H58 G90C16-F57 CarbonylContact O-C 3.43Å; C16-F57 WeakPolarHBondContact O-CA 3.49Å; C16-F57 WeakPolarHBondContact O-CD2 3.48Å; C16-H58 PolarHBondContact N-O 3.49Å; C16-H58 VanDerWaalsContact N-O 3.12Å; C16-H58 PolarHBondContact O-N 2.99Å; C16-G90 WeakPolarHBondContact CB-O 3.31Å
17F96.9Very high94.1Very high23 Ų2359.6 Ų59.610%0.10130%0.298CS..EExtended strand (participates in β ladder)trans-86.9136.2177-71.7-72.8000111.6H19 T55 F57 V68 R70 V92 L94F17-H19 WeakPolarHBondContact CB-CE1 3.34Å; F17-H19 AromaticContact CG-CE1 3.85Å; F17-H19 PolarHBondContact O-N 2.83Å; F17-T55 HydrophobicContact CB-CG2 4Å; F17-T55 HydrophobicContact CD1-CG2 3.85Å; F17-T55 HydrophobicContact CG-CG2 4.34Å; F17-F57 HydrophobicContact CD1-CB 4.25Å; F17-F57 AromaticContact CD1-CD2 3.59Å; F17-F57 HydrophobicContact CD1-CD2 3.59Å; F17-F57 HydrophobicContact CD1-CE2 4.46Å; F17-F57 HydrophobicContact CD1-CG 4.4Å; F17-F57 HydrophobicContact CD2-CD2 4.17Å; F17-F57 HydrophobicContact CD2-CE2 4.3Å; F17-F57 HydrophobicContact CE1-CB 4.29Å; F17-F57 AromaticContact CE1-CD2 3.56Å; F17-F57 HydrophobicContact CE1-CD2 3.56Å; F17-F57 HydrophobicContact CE1-CE2 4.27Å; F17-F57 HydrophobicContact CE1-CG 4.29Å; F17-F57 HydrophobicContact CE2-CD2 4.14Å; F17-F57 HydrophobicContact CE2-CE2 4.1Å; F17-F57 AromaticContact CG-CD2 3.91Å; F17-F57 HydrophobicContact CG-CD2 3.91Å; F17-F57 HydrophobicContact CG-CE2 4.47Å; F17-F57 AromaticContact CZ-CD2 3.84Å; F17-F57 HydrophobicContact CZ-CD2 3.84Å; F17-F57 HydrophobicContact CZ-CE2 4.08Å; F17-V68 HydrophobicContact CE1-CB 4.02Å; F17-V68 HydrophobicContact CE1-CG1 3.91Å; F17-V68 HydrophobicContact CZ-CG1 4.34Å; F17-R70 HydrophobicContact CD1-CG 4.46Å; F17-R70 HydrophobicContact CE1-CG 3.79Å; F17-R70 HydrophobicContact CZ-CG 4.12Å; F17-V92 HydrophobicContact CD2-CG2 4.32Å; F17-V92 HydrophobicContact CE2-CG2 3.85Å; F17-L94 HydrophobicContact CZ-CD1 4.33Å
18D96.6Very high94.4Very high53 Ų5359.4 Ų59.428%0.28329%0.294SS..  trans-93.590165.9-177.1-0.9000109.7S20 K21 T55 P56D18-S20 PolarHBondContact O-N 3.12Å; D18-S20 WeakPolarHBondContact OD1-CB 3.29Å; D18-S20 PolarHBondContact OD1-N 3.32Å; D18-S20 VanDerWaalsContact OD1-N 3.08Å; D18-S20 PolarHBondContact OD1-OG 2.86Å; D18-K21 PolarHBondContact O-N 2.91Å; D18-K21 WeakPolarHBondContact OD2-CD 3.02Å; D18-K21 IonicContact OD2-NZ 3.79Å; D18-T55 VanDerWaalsContact O-CG2 3.29Å; D18-T55 WeakPolarHBondContact O-CG2 3.39Å; D18-P56 HydrophobicContact CB-CB 4.31Å; D18-P56 PolarHBondContact N-O 3.29Å
19H95.5Very high94.5Very high41 Ų4156.6 Ų56.619%0.1929%0.29CS..G310 helixtrans-69-12.4-179.5-64.4-49.7000114.1F17 K21 E22 R70 Q87 I88F17-H19 WeakPolarHBondContact CB-CE1 3.34Å; F17-H19 AromaticContact CG-CE1 3.85Å; F17-H19 PolarHBondContact O-N 2.83Å; H19-K21 PolarHBondContact O-N 3.14Å; H19-E22 IonicContact ND1-OE1 3.28Å; H19-R70 PolarHBondContact CE1-NH1 3.39Å; H19-Q87 PolarHBondContact CD2-OE1 2.98Å; H19-Q87 PolarHBondContact CE1-OE1 3.5Å; H19-Q87 PolarHBondContact ND1-OE1 3.17Å; H19-I88 PolarHBondContact NE2-N 3.3Å; H19-I88 PolarHBondContact NE2-O 3.49Å
20S94.9Very high94.6Very high102 Ų10251.9 Ų51.971%0.71328%0.275SS*.G310 helixtrans-73.9-18.517875.80000112.9D18D18-S20 PolarHBondContact O-N 3.12Å; D18-S20 WeakPolarHBondContact OD1-CB 3.29Å; D18-S20 PolarHBondContact OD1-N 3.32Å; D18-S20 VanDerWaalsContact OD1-N 3.08Å; D18-S20 PolarHBondContact OD1-OG 2.86Å
21K95.8Very high94.1Very high90 Ų9047.5 Ų47.539%0.39125%0.246SC..G310 helixtrans-119.630.9-174.7-63.4-178.1-172.9169.20113.1D18 H19 P56 T130D18-K21 PolarHBondContact O-N 2.91Å; D18-K21 WeakPolarHBondContact OD2-CD 3.02Å; D18-K21 IonicContact OD2-NZ 3.79Å; H19-K21 PolarHBondContact O-N 3.14Å; K21-P56 HydrophobicContact CB-CG 3.83Å; K21-P56 WeakPolarHBondContact O-CD 3.3Å; K21-T130 HydrophobicContact CB-CG2 4.37Å; K21-T130 VanDerWaalsContact CD-O 3.32Å; K21-T130 WeakPolarHBondContact CD-O 3.17Å; K21-T130 PolarHBondContact NZ-O 2.89Å
22E96.6Very high93.4Very high7 Ų748.9 Ų48.93%0.03325%0.252CS..  trans-59.8141.2175.1-73-174164.200111.8H19 Y24 V53 V54 T55 R83 Q87 N116H19-E22 IonicContact ND1-OE1 3.28Å; E22-Y24 HydrophobicContact CB-CE1 4.08Å; E22-Y24 WeakPolarHBondContact OE2-CE1 3.44Å; E22-Y24 PolarHBondContact OE2-OH 2.81Å; E22-V53 HydrophobicContact CB-CG1 4.43Å; E22-V53 HydrophobicContact CG-CG1 4.12Å; E22-V54 CarbonylContact C-O 3.56Å; E22-V54 WeakPolarHBondContact CA-O 3.37Å; E22-T55 HydrophobicContact CG-CG2 4.02Å; E22-R83 IonicContact OE1-CZ 3.23Å; E22-R83 IonicContact OE1-NH1 3.81Å; E22-R83 PolarHBondContact OE1-NH1 2.8Å; E22-R83 IonicContact OE1-NH2 2.72Å; E22-R83 IonicContact OE2-CZ 3.76Å; E22-R83 IonicContact OE2-NH1 3.69Å; E22-R83 PolarHBondContact OE2-NH1 3.27Å; E22-R83 IonicContact OE2-NH2 3.71Å; E22-R83 PolarHBondContact OE2-NH2 2.71Å; E22-Q87 PolarHBondContact OE1-NE2 3.15Å; E22-Q87 VanDerWaalsContact OE1-NE2 3.16Å; E22-Q87 PolarHBondContact OE1-OE1 3.33Å; E22-Q87 VanDerWaalsContact OE1-OE1 3.13Å; E22-N116 PolarHBondContact O-ND2 3Å
23L97.6Very high92.1Very high5 Ų546.6 Ų46.63%0.02625%0.25CS..EExtended strand (participates in β ladder)trans-115.5141.5174.3-50.7176.6000110.5V54 N116 W118 M126 T130L23-V54 HydrophobicContact CB-CB 4.2Å; L23-V54 PolarHBondContact N-O 2.88Å; L23-V54 PolarHBondContact O-N 3.11Å; L23-N116 VanDerWaalsContact CA-OD1 3.25Å; L23-N116 WeakPolarHBondContact CA-OD1 3.44Å; L23-N116 VanDerWaalsContact CD2-OD1 3.3Å; L23-N116 WeakPolarHBondContact CD2-OD1 3.38Å; L23-W118 HydrophobicContact CD1-CZ2 4.3Å; L23-W118 HydrophobicContact CD2-CZ2 4.34Å; L23-M126 HydrophobicContact CD1-CB 3.63Å; L23-M126 HydrophobicContact CD1-CG 3.66Å; L23-M126 HydrophobicContact CD1-SD 4.29Å; L23-T130 HydrophobicContact CD1-CG2 3.73Å; L23-T130 HydrophobicContact CD2-CG2 4.04Å; L23-T130 HydrophobicContact CG-CG2 3.94Å
24Y97.3Very high90.9Very high33 Ų3350.3 Ų50.313%0.12927%0.273CS..EExtended strand (participates in β ladder)trans-112.5110.8-175.7-54.8-56.8000112.1E22 V53 V78 P80 N116 W118E22-Y24 HydrophobicContact CB-CE1 4.08Å; E22-Y24 WeakPolarHBondContact OE2-CE1 3.44Å; E22-Y24 PolarHBondContact OE2-OH 2.81Å; Y24-V53 HydrophobicContact CD1-CG2 4.33Å; Y24-V53 HydrophobicContact CE1-CG1 4.26Å; Y24-V53 HydrophobicContact CE1-CG2 4.32Å; Y24-V78 HydrophobicContact CD1-CG1 3.86Å; Y24-V78 HydrophobicContact CD2-CG1 4.02Å; Y24-V78 HydrophobicContact CE1-CG1 4.16Å; Y24-V78 HydrophobicContact CE2-CG1 4.27Å; Y24-V78 HydrophobicContact CG-CG1 3.8Å; Y24-P80 WeakPolarHBondContact OH-CD 3.37Å; Y24-P80 VanDerWaalsContact OH-CG 3.25Å; Y24-P80 WeakPolarHBondContact OH-CG 3.35Å; Y24-N116 WeakPolarHBondContact CD2-ND2 3.25Å; Y24-N116 PolarHBondContact N-OD1 3.45Å; Y24-W118 PolarHBondContact O-N 3.32Å
25M96Very high89.6Confident4 Ų450.7 Ų50.72%0.0227%0.274CS..EExtended strand (participates in β ladder)trans-88.7113.3172.7-63.6176.167.200110.3R28 A51 Y52 V54 W118 R121 M126M25-R28 WeakPolarHBondContact O-CG 3.34Å; M25-A51 CarbonylContact O-C 3.59Å; M25-A51 WeakPolarHBondContact O-CA 3.36Å; M25-Y52 PolarHBondContact N-O 2.75Å; M25-Y52 PolarHBondContact O-N 3.25Å; M25-V54 HydrophobicContact CG-CG2 4.04Å; M25-V54 HydrophobicContact SD-CG2 3.67Å; M25-W118 CarbonylContact C-O 3.56Å; M25-W118 WeakPolarHBondContact CA-O 3.34Å; M25-W118 HydrophobicContact CB-CB 4.43Å; M25-W118 HydrophobicContact CG-CB 3.87Å; M25-R121 HydrophobicContact CE-CB 3.87Å; M25-M126 HydrophobicContact CG-CE 3.9Å; M25-M126 HydrophobicContact SD-CE 4.05Å
26M93.6Very high88.2Confident44 Ų4452.7 Ų52.722%0.21728%0.284CS..EExtended strand (participates in β ladder)trans-150.8153.8-175.354.9-175.8-87.200113.3A51 H117 W118 H119M26-A51 HydrophobicContact CB-CB 3.96Å; M26-H117 PolarHBondContact SD-CD2 3.46Å; M26-W118 PolarHBondContact N-O 3.28Å; M26-H119 PolarHBondContact O-ND1 2.87Å
27P92.5Very high86.6Confident90 Ų9054.4 Ų54.458%0.58430%0.302SS*.EExtended strand (participates in β ladder)cis-74.7140.8-3.931.8-34.1000111.9
28R91.8Very high85.1Confident56 Ų5663.6 Ų63.621%0.21134%0.336CS..EExtended strand (participates in β ladder)trans-125.9156.1169.6-63.7-65.9172.4173.20.5109.7M25 S49 G50 Y52 E102 H119M25-R28 WeakPolarHBondContact O-CG 3.34Å; R28-S49 CarbonylContact O-C 3.53Å; R28-S49 WeakPolarHBondContact O-CA 3.24Å; R28-G50 PolarHBondContact N-O 3.37Å; R28-G50 CarbonylContact O-C 3.59Å; R28-G50 PolarHBondContact O-N 2.84Å; R28-Y52 HydrophobicContact CB-CD1 3.95Å; R28-Y52 HydrophobicContact CB-CD2 4.35Å; R28-Y52 HydrophobicContact CB-CE1 3.9Å; R28-Y52 HydrophobicContact CB-CE2 4.3Å; R28-Y52 HydrophobicContact CB-CG 4.17Å; R28-Y52 HydrophobicContact CG-CD1 4.15Å; R28-Y52 HydrophobicContact CG-CD2 3.72Å; R28-Y52 HydrophobicContact CG-CE1 4.33Å; R28-Y52 HydrophobicContact CG-CE2 3.92Å; R28-Y52 HydrophobicContact CG-CG 3.84Å; R28-E102 IonicContact NH2-OE2 3.61Å; R28-H119 PolarHBondContact NH2-O 2.86Å
29T88.6Confident83.4Confident61 Ų6163.9 Ų63.937%0.37434%0.335SS..EExtended strand (participates in β ladder)trans-116.9144.5177.4-22.10000108.8V31 S46 Q48T29-V31 PolarHBondContact O-N 3.33Å; T29-S46 WeakPolarHBondContact CB-OG 3.37Å; T29-S46 WeakPolarHBondContact CG2-O 3.31Å; T29-S46 WeakPolarHBondContact CG2-OG 3.47Å; T29-Q48 VanDerWaalsContact CG2-O 3.29Å; T29-Q48 WeakPolarHBondContact CG2-O 3.18Å
30M88.1Confident81.4Confident47 Ų4765.1 Ų65.123%0.23236%0.359CS..  trans-66.1125.3-179-167.4172.566.600110.2S46 F72 I150M30-S46 VanDerWaalsContact O-CB 3.25Å; M30-S46 WeakPolarHBondContact O-CB 3.46Å; M30-S46 PolarHBondContact O-OG 2.79Å; M30-F72 HydrophobicContact CB-CD1 3.68Å; M30-F72 HydrophobicContact CB-CD2 4.29Å; M30-F72 HydrophobicContact CB-CE1 3.59Å; M30-F72 HydrophobicContact CB-CE2 4.19Å; M30-F72 HydrophobicContact CB-CG 4.04Å; M30-F72 HydrophobicContact CB-CZ 3.85Å; M30-F72 HydrophobicContact CG-CD1 3.64Å; M30-F72 HydrophobicContact CG-CE1 3.95Å; M30-F72 HydrophobicContact CG-CG 4.13Å; M30-F72 HydrophobicContact SD-CD1 3.93Å; M30-F72 HydrophobicContact SD-CE1 4.01Å; M30-I150 HydrophobicContact SD-CD1 3.84Å
31V81.8Confident79.4Confident13 Ų1364.1 Ų64.18%0.07937%0.365CS..  trans-84.1116.3169178.90000107.3T29 E36 Q153 R155T29-V31 PolarHBondContact O-N 3.33Å; V31-E36 HydrophobicContact CG1-CG 4.48Å; V31-Q153 PolarHBondContact O-NE2 2.84Å; V31-Q153 VanDerWaalsContact O-NE2 3.08Å; V31-R155 HydrophobicContact CG2-CB 4.11Å
32D77.4Confident77.3Confident62 Ų6266.2 Ų66.233%0.33238%0.38SS..  trans-106109.2170.3177.9-23000108V34 R35 E36D32-V34 VanDerWaalsContact C-N 3.3Å; D32-V34 PolarHBondContact O-N 3.43Å; D32-V34 PolarHBondContact OD1-N 3.47Å; D32-R35 HydrophobicContact CB-CB 3.78Å; D32-R35 PolarHBondContact O-N 2.96Å; D32-R35 PolarHBondContact OD1-N 3.2Å; D32-R35 VanDerWaalsContact OD1-N 3.09Å; D32-E36 WeakPolarHBondContact O-CB 3.45Å; D32-E36 PolarHBondContact O-N 3.43Å
33P68.4Low75.1Confident79 Ų7974.1 Ų74.151%0.51342%0.421SS..Hα-helixtrans-60.6-36.5-176.5-22.932.3000113.7R35 A37P33-R35 VanDerWaalsContact C-N 3.33Å; P33-A37 VanDerWaalsContact O-CB 3.31Å; P33-A37 WeakPolarHBondContact O-CB 3.3Å; P33-A37 PolarHBondContact O-N 3.37Å; P33-A37 VanDerWaalsContact O-N 3.09Å
34V69.4Low72.9Confident97 Ų9778.2 Ų78.259%0.58845%0.45SS*.Hα-helixtrans-70.5-38.7-179179.10000109.7D32 R38D32-V34 VanDerWaalsContact C-N 3.3Å; D32-V34 PolarHBondContact O-N 3.43Å; D32-V34 PolarHBondContact OD1-N 3.47Å; V34-R38 WeakPolarHBondContact O-CG 3.31Å; V34-R38 PolarHBondContact O-N 3.31Å
35R68.8Low70.7Confident107 Ų10777.9 Ų77.940%0.40445%0.452SS..Hα-helixtrans-75.6-43.2179.1-163.7174.7179.6156.81.2112.5D32 P33 A37 R38 E39 S45D32-R35 HydrophobicContact CB-CB 3.78Å; D32-R35 PolarHBondContact O-N 2.96Å; D32-R35 PolarHBondContact OD1-N 3.2Å; D32-R35 VanDerWaalsContact OD1-N 3.09Å; P33-R35 VanDerWaalsContact C-N 3.33Å; R35-A37 VanDerWaalsContact C-N 3.28Å; R35-A37 PolarHBondContact O-N 2.84Å; R35-R38 PolarHBondContact O-N 2.76Å; R35-R38 VanDerWaalsContact O-N 3.08Å; R35-E39 HydrophobicContact CG-CG 4.33Å; R35-E39 WeakPolarHBondContact CG-OE2 3.46Å; R35-E39 IonicContact CZ-OE1 3.22Å; R35-E39 IonicContact CZ-OE2 3.69Å; R35-E39 IonicContact NE-OE1 3.4Å; R35-E39 PolarHBondContact NE-OE1 3.43Å; R35-E39 IonicContact NE-OE2 3.21Å; R35-E39 PolarHBondContact NE-OE2 3.43Å; R35-E39 IonicContact NH2-OE1 3.34Å; R35-E39 PolarHBondContact NH2-OE1 3.13Å; R35-E39 IonicContact NH2-OE2 2.9Å; R35-E39 WeakPolarHBondContact O-CB 3.38Å; R35-E39 PolarHBondContact O-N 3.22Å; R35-S45 WeakPolarHBondContact CD-O 3.42Å; R35-S45 PolarHBondContact NE-O 2.85Å
36E67.9Low68.9Low42 Ų4278.8 Ų78.820%0.19646%0.459CS..Hα-helixtrans-60.9-37.4175.2-78.6-158.5160.700111.9V31 D32 R38 G40 R155V31-E36 HydrophobicContact CG1-CG 4.48Å; D32-E36 WeakPolarHBondContact O-CB 3.45Å; D32-E36 PolarHBondContact O-N 3.43Å; E36-R38 VanDerWaalsContact C-N 3.26Å; E36-R38 PolarHBondContact O-N 3.01Å; E36-G40 VanDerWaalsContact O-CA 3.29Å; E36-G40 WeakPolarHBondContact O-CA 3.01Å; E36-G40 PolarHBondContact O-N 3.21Å; E36-R155 WeakPolarHBondContact OE1-CD 3.48Å; E36-R155 IonicContact OE1-NE 3.84Å
37A63.4Low67.4Low87 Ų8783.7 Ų83.772%0.71949%0.491SS*.Hα-helixtrans-64.7-29.2175.400000113.3P33 R35P33-A37 VanDerWaalsContact O-CB 3.31Å; P33-A37 WeakPolarHBondContact O-CB 3.3Å; P33-A37 PolarHBondContact O-N 3.37Å; P33-A37 VanDerWaalsContact O-N 3.09Å; R35-A37 VanDerWaalsContact C-N 3.28Å; R35-A37 PolarHBondContact O-N 2.84Å
38R64.4Low66.5Low215 Ų21583.7 Ų83.781%0.81148%0.484SS*.Hα-helixtrans-90.3-37180-70.9-177.3179-156.60.6113.5V34 R35 E36V34-R38 WeakPolarHBondContact O-CG 3.31Å; V34-R38 PolarHBondContact O-N 3.31Å; R35-R38 PolarHBondContact O-N 2.76Å; R35-R38 VanDerWaalsContact O-N 3.08Å; E36-R38 VanDerWaalsContact C-N 3.26Å; E36-R38 PolarHBondContact O-N 3.01Å
39E61.9Low66.4Low59 Ų5983.8 Ų83.828%0.27649%0.493SS..Hα-helixtrans-105.68.6-172.8-64.9178.9176.100112.9R35 G41 L42 S45R35-E39 HydrophobicContact CG-CG 4.33Å; R35-E39 WeakPolarHBondContact CG-OE2 3.46Å; R35-E39 IonicContact CZ-OE1 3.22Å; R35-E39 IonicContact CZ-OE2 3.69Å; R35-E39 IonicContact NE-OE1 3.4Å; R35-E39 PolarHBondContact NE-OE1 3.43Å; R35-E39 IonicContact NE-OE2 3.21Å; R35-E39 PolarHBondContact NE-OE2 3.43Å; R35-E39 IonicContact NH2-OE1 3.34Å; R35-E39 PolarHBondContact NH2-OE1 3.13Å; R35-E39 IonicContact NH2-OE2 2.9Å; R35-E39 WeakPolarHBondContact O-CB 3.38Å; R35-E39 PolarHBondContact O-N 3.22Å; E39-G41 PolarHBondContact O-N 3.09Å; E39-L42 PolarHBondContact O-N 3.34Å; E39-S45 WeakPolarHBondContact OE2-CB 3.39Å
40G52.5Low66.7Low68 Ų6881 Ų8170%0.70148%0.477SS*.THydrogen-bonded Turntrans-47.9109.7-177.400000112.6E36E36-G40 VanDerWaalsContact O-CA 3.29Å; E36-G40 WeakPolarHBondContact O-CA 3.01Å; E36-G40 PolarHBondContact O-N 3.21Å
41G53.3Low67.1Low81 Ų8178.8 Ų78.884%0.83547%0.466SS*.THydrogen-bonded Turntrans111.4-9.217900000115.7E39E39-G41 PolarHBondContact O-N 3.09Å
42L52.1Low67.8Low134 Ų13479.4 Ų79.470%0.70247%0.467SS*.SBendtrans-87.2140.7171.8-65.4173.4000111.1E39 S44E39-L42 PolarHBondContact O-N 3.34Å; L42-S44 PolarHBondContact O-N 3.08Å
43I50Low68.7Low173 Ų17376.4 Ų76.489%0.88745%0.451SS*.SBendtrans-60.7109.4-176.4-55.5172.3000108.9
44S52.5Low70.1Confident91 Ų9172.7 Ų72.764%0.63643%0.427SS*.  trans62.181.4171.3-1780000116.3L42 S46L42-S44 PolarHBondContact O-N 3.08Å; S44-S46 VanDerWaalsContact C-N 3.26Å; S44-S46 PolarHBondContact O-N 2.97Å
45S50.7Low71.4Confident26 Ų2668 Ų6818%0.18240%0.399CS..SBendtrans-72.1-3.4176.150.40000115.9R35 E39R35-S45 WeakPolarHBondContact CD-O 3.42Å; R35-S45 PolarHBondContact NE-O 2.85Å; E39-S45 WeakPolarHBondContact OE2-CB 3.39Å
46S56.9Low72.8Confident23 Ų2363 Ų6316%0.16138%0.38CS..  trans-131.3117.5-178.957.80000111.8T29 M30 S44 Q48T29-S46 WeakPolarHBondContact CB-OG 3.37Å; T29-S46 WeakPolarHBondContact CG2-O 3.31Å; T29-S46 WeakPolarHBondContact CG2-OG 3.47Å; M30-S46 VanDerWaalsContact O-CB 3.25Å; M30-S46 WeakPolarHBondContact O-CB 3.46Å; M30-S46 PolarHBondContact O-OG 2.79Å; S44-S46 VanDerWaalsContact C-N 3.26Å; S44-S46 PolarHBondContact O-N 2.97Å; S46-Q48 VanDerWaalsContact C-N 3.31Å
47T63.5Low74.2Confident146 Ų14661 Ų6190%0.89637%0.37SS*.  trans-80.7-8.7177.619.70000113.8S49T47-S49 PolarHBondContact O-N 3.42Å
48Q73.8Confident75.8Confident90 Ų9060.6 Ų60.642%0.42135%0.354SS..  trans-95.2101.2-173.3-160.1167.728.900111.7T29 S46 F72 P74T29-Q48 VanDerWaalsContact CG2-O 3.29Å; T29-Q48 WeakPolarHBondContact CG2-O 3.18Å; S46-Q48 VanDerWaalsContact C-N 3.31Å; Q48-F72 HydrophobicContact CG-CZ 4.38Å; Q48-F72 WeakPolarHBondContact O-CZ 2.98Å; Q48-P74 HydrophobicContact CG-CB 4.46Å
49S89.6Confident77.4Confident58 Ų5850.5 Ų50.541%0.40632%0.316SS..EExtended strand (participates in β ladder)trans-75.7142.8168.8-175.60000111.2R28 T47 R75R28-S49 CarbonylContact O-C 3.53Å; R28-S49 WeakPolarHBondContact O-CA 3.24Å; T47-S49 PolarHBondContact O-N 3.42Å; S49-R75 PolarHBondContact O-N 2.88Å
50G94.3Very high78.9Confident4 Ų451.2 Ų51.24%0.04132%0.324CS..EExtended strand (participates in β ladder)trans-165.4-150-17900000111.4R28 V73R28-G50 PolarHBondContact N-O 3.37Å; R28-G50 CarbonylContact O-C 3.59Å; R28-G50 PolarHBondContact O-N 2.84Å; G50-V73 CarbonylContact C-O 3.54Å; G50-V73 VanDerWaalsContact CA-O 3.23Å; G50-V73 WeakPolarHBondContact CA-O 3.48Å
51A95.6Very high80.6Confident0 Ų053.3 Ų53.30%032%0.319CS..EExtended strand (participates in β ladder)trans-134.7154-179.100000110.7M25 M26 F72 V73 V78M25-A51 CarbonylContact O-C 3.59Å; M25-A51 WeakPolarHBondContact O-CA 3.36Å; M26-A51 HydrophobicContact CB-CB 3.96Å; A51-F72 WeakPolarHBondContact O-CA 3.18Å; A51-V73 HydrophobicContact CB-CG2 4.36Å; A51-V73 PolarHBondContact N-O 2.59Å; A51-V73 PolarHBondContact O-N 3.08Å; A51-V78 HydrophobicContact CB-CG2 3.9Å
52Y96.4Very high82.3Confident25 Ų2555.3 Ų55.310%0.09831%0.31CS..EExtended strand (participates in β ladder)trans-86.9136.6156.7-62-25.1000109.4M25 R28 N69 G71 F72 Q153M25-Y52 PolarHBondContact N-O 2.75Å; M25-Y52 PolarHBondContact O-N 3.25Å; R28-Y52 HydrophobicContact CB-CD1 3.95Å; R28-Y52 HydrophobicContact CB-CD2 4.35Å; R28-Y52 HydrophobicContact CB-CE1 3.9Å; R28-Y52 HydrophobicContact CB-CE2 4.3Å; R28-Y52 HydrophobicContact CB-CG 4.17Å; R28-Y52 HydrophobicContact CG-CD1 4.15Å; R28-Y52 HydrophobicContact CG-CD2 3.72Å; R28-Y52 HydrophobicContact CG-CE1 4.33Å; R28-Y52 HydrophobicContact CG-CE2 3.92Å; R28-Y52 HydrophobicContact CG-CG 3.84Å; Y52-N69 WeakPolarHBondContact CB-OD1 3.21Å; Y52-G71 VanDerWaalsContact CA-O 3.31Å; Y52-G71 WeakPolarHBondContact CA-O 3.32Å; Y52-F72 HydrophobicContact CD1-CB 4.01Å; Y52-F72 HydrophobicContact CD1-CD2 4.29Å; Y52-F72 HydrophobicContact CE1-CB 3.97Å; Y52-F72 HydrophobicContact CE1-CD2 4.16Å; Y52-Q153 HydrophobicContact CD1-CB 4.4Å; Y52-Q153 HydrophobicContact CE1-CB 3.65Å; Y52-Q153 HydrophobicContact CE1-CG 3.96Å; Y52-Q153 PolarHBondContact OH-O 3.29Å
53V96.9Very high84.3Confident0 Ų051.4 Ų51.40%030%0.303CS..EExtended strand (participates in β ladder)trans-97.4110.3176.8-177.30000107.9E22 Y24 R70 G71 V73 P149E22-V53 HydrophobicContact CB-CG1 4.43Å; E22-V53 HydrophobicContact CG-CG1 4.12Å; Y24-V53 HydrophobicContact CD1-CG2 4.33Å; Y24-V53 HydrophobicContact CE1-CG1 4.26Å; Y24-V53 HydrophobicContact CE1-CG2 4.32Å; V53-R70 PolarHBondContact O-N 2.75Å; V53-G71 PolarHBondContact N-O 2.75Å; V53-V73 HydrophobicContact CG2-CB 4.36Å; V53-V73 HydrophobicContact CG2-CG1 3.81Å; V53-V73 HydrophobicContact CG2-CG2 3.6Å; V53-P149 HydrophobicContact CB-CG 4.19Å; V53-P149 HydrophobicContact CG2-CG 4.21Å
54V97.8Very high86.4Confident0 Ų045.5 Ų45.50%028%0.275CS..EExtended strand (participates in β ladder)trans-96.5129172.1-178.10000107.5E22 L23 M25 L67 V68 N69 F136E22-V54 CarbonylContact C-O 3.56Å; E22-V54 WeakPolarHBondContact CA-O 3.37Å; L23-V54 HydrophobicContact CB-CB 4.2Å; L23-V54 PolarHBondContact N-O 2.88Å; L23-V54 PolarHBondContact O-N 3.11Å; M25-V54 HydrophobicContact CG-CG2 4.04Å; M25-V54 HydrophobicContact SD-CG2 3.67Å; V54-L67 HydrophobicContact CG1-CB 4.08Å; V54-L67 HydrophobicContact CG1-CD2 4.24Å; V54-V68 CarbonylContact C-O 3.38Å; V54-V68 VanDerWaalsContact CA-O 3.29Å; V54-V68 WeakPolarHBondContact CA-O 3.33Å; V54-N69 HydrophobicContact CG2-CB 4.2Å; V54-F136 HydrophobicContact CG1-CD2 4.39Å; V54-F136 HydrophobicContact CG1-CE2 3.93Å; V54-F136 HydrophobicContact CG2-CE2 3.87Å; V54-F136 HydrophobicContact CG2-CZ 4.39Å
55T97.7Very high88.6Confident0 Ų043 Ų430%026%0.255CS..EExtended strand (participates in β ladder)trans-130.2132.5-177.6-49.10000108.7F17 D18 E22 F57 V68 R70F17-T55 HydrophobicContact CB-CG2 4Å; F17-T55 HydrophobicContact CD1-CG2 3.85Å; F17-T55 HydrophobicContact CG-CG2 4.34Å; D18-T55 VanDerWaalsContact O-CG2 3.29Å; D18-T55 WeakPolarHBondContact O-CG2 3.39Å; E22-T55 HydrophobicContact CG-CG2 4.02Å; T55-F57 PolarHBondContact O-N 3.45Å; T55-V68 PolarHBondContact N-O 3.22Å; T55-V68 PolarHBondContact O-N 2.82Å; T55-R70 WeakPolarHBondContact OG1-CD 3.24Å
56P97.9Very high90.8Very high1 Ų142 Ų421%0.00625%0.248CC..EExtended strand (participates in β ladder)trans-60137.7170.1-24.136.3000110.4D18 K21 T65 I66 T130D18-P56 HydrophobicContact CB-CB 4.31Å; D18-P56 PolarHBondContact N-O 3.29Å; K21-P56 HydrophobicContact CB-CG 3.83Å; K21-P56 WeakPolarHBondContact O-CD 3.3Å; P56-T65 HydrophobicContact CB-CG2 3.76Å; P56-I66 CarbonylContact C-O 3.56Å; P56-I66 WeakPolarHBondContact CA-O 3.14Å; P56-T130 HydrophobicContact CG-CG2 3.56Å
57F97.6Very high92.7Very high0 Ų040.9 Ų40.90%024%0.24CC..EExtended strand (participates in β ladder)trans-129.1114.5-175.9-175.9-100.8000108.6V13 G15 C16 F17 T55 C59 T65 I66 V68 V92 L94V13-F57 HydrophobicContact CB-CE1 4.13Å; V13-F57 HydrophobicContact CG2-CD1 4.07Å; V13-F57 HydrophobicContact CG2-CE1 3.6Å; V13-F57 HydrophobicContact CG2-CZ 4.38Å; G15-F57 VanDerWaalsContact O-CE2 3.31Å; G15-F57 WeakPolarHBondContact O-CE2 3.36Å; G15-F57 WeakPolarHBondContact O-CZ 3.42Å; C16-F57 CarbonylContact O-C 3.43Å; C16-F57 WeakPolarHBondContact O-CA 3.49Å; C16-F57 WeakPolarHBondContact O-CD2 3.48Å; F17-F57 HydrophobicContact CD1-CB 4.25Å; F17-F57 AromaticContact CD1-CD2 3.59Å; F17-F57 HydrophobicContact CD1-CD2 3.59Å; F17-F57 HydrophobicContact CD1-CE2 4.46Å; F17-F57 HydrophobicContact CD1-CG 4.4Å; F17-F57 HydrophobicContact CD2-CD2 4.17Å; F17-F57 HydrophobicContact CD2-CE2 4.3Å; F17-F57 HydrophobicContact CE1-CB 4.29Å; F17-F57 AromaticContact CE1-CD2 3.56Å; F17-F57 HydrophobicContact CE1-CD2 3.56Å; F17-F57 HydrophobicContact CE1-CE2 4.27Å; F17-F57 HydrophobicContact CE1-CG 4.29Å; F17-F57 HydrophobicContact CE2-CD2 4.14Å; F17-F57 HydrophobicContact CE2-CE2 4.1Å; F17-F57 AromaticContact CG-CD2 3.91Å; F17-F57 HydrophobicContact CG-CD2 3.91Å; F17-F57 HydrophobicContact CG-CE2 4.47Å; F17-F57 AromaticContact CZ-CD2 3.84Å; F17-F57 HydrophobicContact CZ-CD2 3.84Å; F17-F57 HydrophobicContact CZ-CE2 4.08Å; T55-F57 PolarHBondContact O-N 3.45Å; F57-C59 PolarHBondContact O-N 3.47Å; F57-T65 CarbonylContact O-C 3.57Å; F57-T65 WeakPolarHBondContact O-CA 3.41Å; F57-I66 HydrophobicContact CB-CG1 4.18Å; F57-I66 HydrophobicContact CD1-CD1 4.45Å; F57-I66 HydrophobicContact CD1-CG1 4.31Å; F57-I66 PolarHBondContact N-O 3.35Å; F57-I66 PolarHBondContact O-N 3.07Å; F57-V68 HydrophobicContact CB-CB 4.26Å; F57-V68 HydrophobicContact CB-CG2 3.5Å; F57-V68 HydrophobicContact CD1-CG2 4.38Å; F57-V68 HydrophobicContact CG-CG2 3.99Å; F57-V92 HydrophobicContact CE2-CG2 3.77Å; F57-V92 HydrophobicContact CZ-CG2 4.22Å; F57-L94 HydrophobicContact CZ-CB 4.33Å
58H97.4Very high94.3Very high79 Ų7934 Ų3437%0.36620%0.198SC..EExtended strand (participates in β ladder)trans-81.7109.9178.6-177.166.6000109.3G15 C16 T60 T65G15-H58 CarbonylContact C-O 3.58Å; G15-H58 WeakPolarHBondContact CA-O 3.5Å; C16-H58 PolarHBondContact N-O 3.49Å; C16-H58 VanDerWaalsContact N-O 3.12Å; C16-H58 PolarHBondContact O-N 2.99Å; H58-T60 PolarHBondContact O-N 2.88Å; H58-T65 PolarHBondContact ND1-OG1 3.49Å
59C96.1Very high95.5Very high2 Ų229.9 Ų29.91%0.01418%0.179CC..EExtended strand (participates in β ladder)trans-79106.5178.9-64.80000110.4R14 F57 D61 L62 G63 V64R14-C59 CarbonylContact O-C 3.51Å; R14-C59 VanDerWaalsContact O-CA 3.29Å; R14-C59 WeakPolarHBondContact O-CA 3.41Å; F57-C59 PolarHBondContact O-N 3.47Å; C59-D61 VanDerWaalsContact C-N 3.28Å; C59-D61 PolarHBondContact O-N 2.84Å; C59-L62 HydrophobicContact CB-CB 4.13Å; C59-L62 HydrophobicContact CB-CD1 4.44Å; C59-L62 PolarHBondContact O-N 3.34Å; C59-G63 WeakPolarHBondContact O-CA 3.29Å; C59-G63 PolarHBondContact O-N 3.25Å; C59-V64 WeakPolarHBondContact CB-O 3.33Å; C59-V64 PolarHBondContact N-O 2.97Å
60T93.8Very high95.8Very high74 Ų7427.6 Ų27.645%0.45416%0.161SC..THydrogen-bonded Turntrans-57.4-41.9-178.9-41.50000112R14 H58 L62 E91R14-T60 PolarHBondContact O-N 3.03Å; R14-T60 VanDerWaalsContact O-N 3.09Å; H58-T60 PolarHBondContact O-N 2.88Å; T60-L62 VanDerWaalsContact C-N 3.34Å; T60-L62 PolarHBondContact O-N 3.04Å; T60-E91 WeakPolarHBondContact CB-OE1 3.3Å; T60-E91 PolarHBondContact OG1-OE1 3.19Å
61D89.8Confident95.8Very high112 Ų11227.5 Ų27.560%0.59916%0.16SC*.THydrogen-bonded Turntrans-69.5-30.7-175.8-62-34.4000113.1C59C59-D61 VanDerWaalsContact C-N 3.28Å; C59-D61 PolarHBondContact O-N 2.84Å
62L88.6Confident95.8Very high123 Ų12327.5 Ų27.564%0.64416%0.16SC*.THydrogen-bonded Turntrans-104.5-14.8-174.6-65171.2000112.8C59 T60 V64C59-L62 HydrophobicContact CB-CB 4.13Å; C59-L62 HydrophobicContact CB-CD1 4.44Å; C59-L62 PolarHBondContact O-N 3.34Å; T60-L62 VanDerWaalsContact C-N 3.34Å; T60-L62 PolarHBondContact O-N 3.04Å; L62-V64 HydrophobicContact CB-CG2 3.8Å; L62-V64 HydrophobicContact CD1-CG2 4.42Å; L62-V64 PolarHBondContact O-N 3.05Å
63G93.3Very high95.7Very high53 Ų5326.4 Ų26.455%0.54616%0.156SC..THydrogen-bonded Turntrans67.211.6-175.500000114.5C59C59-G63 WeakPolarHBondContact O-CA 3.29Å; C59-G63 PolarHBondContact O-N 3.25Å
64V95.2Very high95.6Very high49 Ų4927.8 Ų27.830%0.29717%0.165SC..EExtended strand (participates in β ladder)trans-111.6150.1-179.3-59.80000111C59 L62 I66 E133C59-V64 WeakPolarHBondContact CB-O 3.33Å; C59-V64 PolarHBondContact N-O 2.97Å; L62-V64 HydrophobicContact CB-CG2 3.8Å; L62-V64 HydrophobicContact CD1-CG2 4.42Å; L62-V64 PolarHBondContact O-N 3.05Å; V64-I66 HydrophobicContact CG2-CG2 4.12Å; V64-E133 HydrophobicContact CB-CG 4.37Å
65T97.3Very high95.3Very high38 Ų3836.7 Ų36.723%0.23320%0.199CC..EExtended strand (participates in β ladder)trans-98.8129.6172-58.20000109.1P56 F57 H58 A132 E133P56-T65 HydrophobicContact CB-CG2 3.76Å; F57-T65 CarbonylContact O-C 3.57Å; F57-T65 WeakPolarHBondContact O-CA 3.41Å; H58-T65 PolarHBondContact ND1-OG1 3.49Å; T65-A132 HydrophobicContact CG2-CB 3.95Å; T65-A132 CarbonylContact O-C 3.4Å; T65-A132 WeakPolarHBondContact O-CA 3.2Å; T65-A132 WeakPolarHBondContact O-CB 3.48Å; T65-E133 PolarHBondContact O-N 3.4Å
66I96.9Very high95.1Very high5 Ų545.9 Ų45.93%0.02624%0.239CC..EExtended strand (participates in β ladder)trans-119.4169.7179.664.6172.6000110.6V13 P56 F57 V64 V68 I135 I137V13-I66 HydrophobicContact CG1-CD1 4.39Å; V13-I66 HydrophobicContact CG2-CD1 4.4Å; P56-I66 CarbonylContact C-O 3.56Å; P56-I66 WeakPolarHBondContact CA-O 3.14Å; F57-I66 HydrophobicContact CB-CG1 4.18Å; F57-I66 HydrophobicContact CD1-CD1 4.45Å; F57-I66 HydrophobicContact CD1-CG1 4.31Å; F57-I66 PolarHBondContact N-O 3.35Å; F57-I66 PolarHBondContact O-N 3.07Å; V64-I66 HydrophobicContact CG2-CG2 4.12Å; I66-V68 HydrophobicContact CD1-CG2 4.28Å; I66-V68 HydrophobicContact CG1-CG2 4.24Å; I66-I135 HydrophobicContact CB-CB 4.14Å; I66-I135 HydrophobicContact CB-CG2 4.23Å; I66-I135 HydrophobicContact CG2-CB 3.81Å; I66-I135 HydrophobicContact CG2-CD1 4.14Å; I66-I135 HydrophobicContact CG2-CG2 3.94Å; I66-I137 HydrophobicContact CD1-CD1 3.43Å; I66-I137 VanDerWaalsContact CD1-CD1 3.43Å; I66-I137 HydrophobicContact CD1-CG1 4.12Å
67L97.9Very high94.9Very high0 Ų049.4 Ų49.40%025%0.254CS..EExtended strand (participates in β ladder)trans-93.4129.1174.3-62.5168.3000110.3V54 L123 M126 T130 A132 I135 F136 I137V54-L67 HydrophobicContact CG1-CB 4.08Å; V54-L67 HydrophobicContact CG1-CD2 4.24Å; L67-L123 HydrophobicContact CD1-CD2 4.1Å; L67-M126 HydrophobicContact CD1-CB 3.61Å; L67-T130 HydrophobicContact CD2-CG2 4.22Å; L67-A132 HydrophobicContact CD2-CB 3.96Å; L67-A132 HydrophobicContact CG-CB 4.05Å; L67-I135 WeakPolarHBondContact CB-O 3.43Å; L67-I135 PolarHBondContact N-O 2.88Å; L67-F136 HydrophobicContact CB-CB 4.42Å; L67-F136 HydrophobicContact CB-CD2 3.81Å; L67-F136 CarbonylContact O-C 3.37Å; L67-F136 VanDerWaalsContact O-CA 3.24Å; L67-F136 WeakPolarHBondContact O-CA 3.38Å; L67-I137 PolarHBondContact O-N 3.44Å
68V97.5Very high94.7Very high0 Ų050.6 Ų50.60%026%0.261CS..EExtended strand (participates in β ladder)trans-121.7119.9176.11730000109.6F17 V54 T55 F57 I66 R70 L94 I137 A139F17-V68 HydrophobicContact CE1-CB 4.02Å; F17-V68 HydrophobicContact CE1-CG1 3.91Å; F17-V68 HydrophobicContact CZ-CG1 4.34Å; V54-V68 CarbonylContact C-O 3.38Å; V54-V68 VanDerWaalsContact CA-O 3.29Å; V54-V68 WeakPolarHBondContact CA-O 3.33Å; T55-V68 PolarHBondContact N-O 3.22Å; T55-V68 PolarHBondContact O-N 2.82Å; F57-V68 HydrophobicContact CB-CB 4.26Å; F57-V68 HydrophobicContact CB-CG2 3.5Å; F57-V68 HydrophobicContact CD1-CG2 4.38Å; F57-V68 HydrophobicContact CG-CG2 3.99Å; I66-V68 HydrophobicContact CD1-CG2 4.28Å; I66-V68 HydrophobicContact CG1-CG2 4.24Å; V68-R70 HydrophobicContact CG1-CG 4.18Å; V68-R70 PolarHBondContact O-N 3.14Å; V68-L94 HydrophobicContact CB-CD2 4.18Å; V68-L94 HydrophobicContact CG1-CD1 4.47Å; V68-L94 HydrophobicContact CG1-CD2 3.46Å; V68-L94 VanDerWaalsContact CG1-CD2 3.46Å; V68-L94 HydrophobicContact CG2-CD2 3.59Å; V68-I137 CarbonylContact C-O 3.59Å; V68-I137 WeakPolarHBondContact CA-O 3.48Å; V68-I137 HydrophobicContact CG2-CB 4.45Å; V68-A139 HydrophobicContact CG1-CB 4.37Å
69N97.2Very high94.5Very high5 Ų550.4 Ų50.43%0.02726%0.263CS..EExtended strand (participates in β ladder)trans-77.4107.5163.8175.815.4000109.6Y52 V54 G71 F136 I137 D138 A139Y52-N69 WeakPolarHBondContact CB-OD1 3.21Å; V54-N69 HydrophobicContact CG2-CB 4.2Å; N69-G71 PolarHBondContact O-N 2.73Å; N69-G71 WeakPolarHBondContact OD1-CA 3.29Å; N69-G71 PolarHBondContact OD1-N 2.82Å; N69-F136 HydrophobicContact CB-CE1 3.91Å; N69-F136 HydrophobicContact CB-CE2 4.01Å; N69-F136 HydrophobicContact CB-CZ 3.35Å; N69-I137 PolarHBondContact N-O 2.79Å; N69-D138 VanDerWaalsContact CB-OD1 3.32Å; N69-D138 WeakPolarHBondContact CB-OD1 3.35Å; N69-D138 PolarHBondContact ND2-OD1 2.66Å; N69-A139 VanDerWaalsContact O-CB 3.25Å; N69-A139 WeakPolarHBondContact O-CB 3.3Å; N69-A139 PolarHBondContact O-N 3.09Å
70R95.8Very high94.3Very high10 Ų1052.1 Ų52.14%0.03827%0.274CS..EExtended strand (participates in β ladder)trans-76.5-13.1178.7-58.4-173.463.1-152-3.7112.5F17 H19 V53 T55 V68 G86 P149F17-R70 HydrophobicContact CD1-CG 4.46Å; F17-R70 HydrophobicContact CE1-CG 3.79Å; F17-R70 HydrophobicContact CZ-CG 4.12Å; H19-R70 PolarHBondContact CE1-NH1 3.39Å; V53-R70 PolarHBondContact O-N 2.75Å; T55-R70 WeakPolarHBondContact OG1-CD 3.24Å; V68-R70 HydrophobicContact CG1-CG 4.18Å; V68-R70 PolarHBondContact O-N 3.14Å; R70-G86 PolarHBondContact NH1-O 3.22Å; R70-G86 PolarHBondContact NH2-O 3.5Å; R70-P149 HydrophobicContact CB-CB 3.89Å; R70-P149 HydrophobicContact CB-CG 4.11Å; R70-P149 WeakPolarHBondContact O-CB 3.41Å
71G94.8Very high94.3Very high2 Ų255.4 Ų55.42%0.02128%0.284CS..EExtended strand (participates in β ladder)trans107.9-157.9174.300000113.8Y52 V53 N69 I150Y52-G71 VanDerWaalsContact CA-O 3.31Å; Y52-G71 WeakPolarHBondContact CA-O 3.32Å; V53-G71 PolarHBondContact N-O 2.75Å; N69-G71 PolarHBondContact O-N 2.73Å; N69-G71 WeakPolarHBondContact OD1-CA 3.29Å; N69-G71 PolarHBondContact OD1-N 2.82Å; G71-I150 CarbonylContact C-O 3.5Å; G71-I150 WeakPolarHBondContact CA-O 3.38Å
72F95.2Very high94.4Very high0 Ų053.6 Ų53.60%028%0.277CS..EExtended strand (participates in β ladder)trans-86.3137.7-164.2177.3-94.9000113.5M30 Q48 A51 Y52 P74 P149 I150 Q153M30-F72 HydrophobicContact CB-CD1 3.68Å; M30-F72 HydrophobicContact CB-CD2 4.29Å; M30-F72 HydrophobicContact CB-CE1 3.59Å; M30-F72 HydrophobicContact CB-CE2 4.19Å; M30-F72 HydrophobicContact CB-CG 4.04Å; M30-F72 HydrophobicContact CB-CZ 3.85Å; M30-F72 HydrophobicContact CG-CD1 3.64Å; M30-F72 HydrophobicContact CG-CE1 3.95Å; M30-F72 HydrophobicContact CG-CG 4.13Å; M30-F72 HydrophobicContact SD-CD1 3.93Å; M30-F72 HydrophobicContact SD-CE1 4.01Å; Q48-F72 HydrophobicContact CG-CZ 4.38Å; Q48-F72 WeakPolarHBondContact O-CZ 2.98Å; A51-F72 WeakPolarHBondContact O-CA 3.18Å; Y52-F72 HydrophobicContact CD1-CB 4.01Å; Y52-F72 HydrophobicContact CD1-CD2 4.29Å; Y52-F72 HydrophobicContact CE1-CB 3.97Å; Y52-F72 HydrophobicContact CE1-CD2 4.16Å; F72-P74 HydrophobicContact CE1-CG 4.05Å; F72-P149 WeakPolarHBondContact O-CA 3.4Å; F72-I150 PolarHBondContact N-O 3.02Å; F72-I150 PolarHBondContact O-N 3.37Å; F72-Q153 HydrophobicContact CB-CG 3.8Å
73V95.1Very high94.6Very high1 Ų148 Ų481%0.00625%0.248CC..EExtended strand (participates in β ladder)trans-126139.7163.7-62.90000110.4G50 A51 V53 K77 V78 P149G50-V73 CarbonylContact C-O 3.54Å; G50-V73 VanDerWaalsContact CA-O 3.23Å; G50-V73 WeakPolarHBondContact CA-O 3.48Å; A51-V73 HydrophobicContact CB-CG2 4.36Å; A51-V73 PolarHBondContact N-O 2.59Å; A51-V73 PolarHBondContact O-N 3.08Å; V53-V73 HydrophobicContact CG2-CB 4.36Å; V53-V73 HydrophobicContact CG2-CG1 3.81Å; V53-V73 HydrophobicContact CG2-CG2 3.6Å; V73-K77 HydrophobicContact CB-CB 4.22Å; V73-V78 HydrophobicContact CG2-CG2 4.13Å; V73-P149 HydrophobicContact CG1-CB 4.01Å; V73-P149 HydrophobicContact CG1-CG 3.88Å
74P94.1Very high94.6Very high30 Ų3052.3 Ų52.320%0.19525%0.254CS..EExtended strand (participates in β ladder)trans-57.7153.5169.7-24.433.6000111.7Q48 F72 K76 K77Q48-P74 HydrophobicContact CG-CB 4.46Å; F72-P74 HydrophobicContact CE1-CG 4.05Å; P74-K76 PolarHBondContact O-N 2.87Å; P74-K77 WeakPolarHBondContact O-CA 3.25Å; P74-K77 PolarHBondContact O-N 2.85Å
75R92.8Very high94.2Very high186 Ų18658.4 Ų58.470%0.70228%0.276SS*.G310 helixtrans-51-35.7-179.7-171.1173.2178.5171.6-0.5114.4S49 K77 V78S49-R75 PolarHBondContact O-N 2.88Å; R75-K77 PolarHBondContact O-N 2.83Å; R75-V78 WeakPolarHBondContact O-CG2 3.25Å
76K92.3Very high93.8Very high193 Ų19356.6 Ų56.684%0.83927%0.265SS*.G310 helixtrans-69-15.2177.5-63.7-175.7179.5-177.90114.1P74P74-K76 PolarHBondContact O-N 2.87Å
77K93.5Very high93.6Very high76 Ų7657.9 Ų57.933%0.3327%0.271SS..G310 helixtrans-113.212.9-176.4-68.6-167.5170.8-1680113.8V73 P74 R75 T82 R83 G147V73-K77 HydrophobicContact CB-CB 4.22Å; P74-K77 WeakPolarHBondContact O-CA 3.25Å; P74-K77 PolarHBondContact O-N 2.85Å; R75-K77 PolarHBondContact O-N 2.83Å; K77-T82 WeakPolarHBondContact CA-OG1 3.4Å; K77-R83 WeakPolarHBondContact O-CD 3.45Å; K77-R83 PolarHBondContact O-NE 2.93Å; K77-G147 PolarHBondContact NZ-O 3.38Å
78V93.4Very high93.3Very high24 Ų2460.2 Ų60.215%0.14528%0.283CS..  trans-64.4-43.5176.2176.40000110.1Y24 A51 V73 R75 P80 R83Y24-V78 HydrophobicContact CD1-CG1 3.86Å; Y24-V78 HydrophobicContact CD2-CG1 4.02Å; Y24-V78 HydrophobicContact CE1-CG1 4.16Å; Y24-V78 HydrophobicContact CE2-CG1 4.27Å; Y24-V78 HydrophobicContact CG-CG1 3.8Å; A51-V78 HydrophobicContact CB-CG2 3.9Å; V73-V78 HydrophobicContact CG2-CG2 4.13Å; R75-V78 WeakPolarHBondContact O-CG2 3.25Å; V78-P80 WeakPolarHBondContact O-CD 3.32Å; V78-R83 PolarHBondContact O-NH2 2.75Å
79N93.2Very high92.9Very high75 Ų7568.6 Ų68.640%0.40132%0.322SS..SBendtrans-60.8121.2175.4180-12.9000110.6E81 T82N79-E81 PolarHBondContact ND2-OE2 3.43Å; N79-E81 PolarHBondContact O-N 3.48Å; N79-E81 WeakPolarHBondContact OD1-CB 3.21Å; N79-E81 WeakPolarHBondContact OD1-CG 3.36Å; N79-E81 PolarHBondContact OD1-N 3.16Å; N79-T82 HydrophobicContact CB-CG2 4.15Å; N79-T82 PolarHBondContact O-N 3.28Å; N79-T82 VanDerWaalsContact O-N 3.09Å; N79-T82 PolarHBondContact O-OG1 2.85Å
80P93.4Very high92.7Very high38 Ų3870.6 Ų70.625%0.24734%0.344CS..G310 helixtrans-45.7-41174.7-33.339.3000115.1Y24 V78 T82 R83 Q84Y24-P80 WeakPolarHBondContact OH-CD 3.37Å; Y24-P80 VanDerWaalsContact OH-CG 3.25Å; Y24-P80 WeakPolarHBondContact OH-CG 3.35Å; V78-P80 WeakPolarHBondContact O-CD 3.32Å; P80-T82 PolarHBondContact O-N 3.13Å; P80-R83 CarbonylContact O-C 3.53Å; P80-R83 WeakPolarHBondContact O-CG 3.39Å; P80-R83 PolarHBondContact O-N 3.21Å; P80-Q84 PolarHBondContact O-N 2.82Å
81E92.8Very high92.7Very high143 Ų14375.4 Ų75.467%0.66837%0.367SS*.G310 helixtrans-63.1-27.8-175.6-62.3177152.200112.5N79 R83 Q84N79-E81 PolarHBondContact ND2-OE2 3.43Å; N79-E81 PolarHBondContact O-N 3.48Å; N79-E81 WeakPolarHBondContact OD1-CB 3.21Å; N79-E81 WeakPolarHBondContact OD1-CG 3.36Å; N79-E81 PolarHBondContact OD1-N 3.16Å; E81-R83 VanDerWaalsContact C-N 3.26Å; E81-R83 PolarHBondContact O-N 3.23Å; E81-Q84 PolarHBondContact O-NE2 2.81Å
82T93Very high92.7Very high74 Ų7477 Ų7745%0.45438%0.376SS..G310 helixtrans-82.2-4179.167.50000113.2K77 N79 P80K77-T82 WeakPolarHBondContact CA-OG1 3.4Å; N79-T82 HydrophobicContact CB-CG2 4.15Å; N79-T82 PolarHBondContact O-N 3.28Å; N79-T82 VanDerWaalsContact O-N 3.09Å; N79-T82 PolarHBondContact O-OG1 2.85Å; P80-T82 PolarHBondContact O-N 3.13Å
83R92.9Very high92.6Very high6 Ų680.8 Ų80.82%0.02340%0.396CS..G310 helixtrans-141.943.4-176.558.5168.8163.794.34112.8E22 K77 V78 P80 E81 K85 G86E22-R83 IonicContact OE1-CZ 3.23Å; E22-R83 IonicContact OE1-NH1 3.81Å; E22-R83 PolarHBondContact OE1-NH1 2.8Å; E22-R83 IonicContact OE1-NH2 2.72Å; E22-R83 IonicContact OE2-CZ 3.76Å; E22-R83 IonicContact OE2-NH1 3.69Å; E22-R83 PolarHBondContact OE2-NH1 3.27Å; E22-R83 IonicContact OE2-NH2 3.71Å; E22-R83 PolarHBondContact OE2-NH2 2.71Å; K77-R83 WeakPolarHBondContact O-CD 3.45Å; K77-R83 PolarHBondContact O-NE 2.93Å; V78-R83 PolarHBondContact O-NH2 2.75Å; P80-R83 CarbonylContact O-C 3.53Å; P80-R83 WeakPolarHBondContact O-CG 3.39Å; P80-R83 PolarHBondContact O-N 3.21Å; E81-R83 VanDerWaalsContact C-N 3.26Å; E81-R83 PolarHBondContact O-N 3.23Å; R83-K85 PolarHBondContact O-N 3.09Å; R83-K85 VanDerWaalsContact O-N 3.17Å; R83-G86 WeakPolarHBondContact O-CA 3.36Å; R83-G86 PolarHBondContact O-N 2.88Å
84Q91.4Very high92.6Very high144 Ų14481 Ų8167%0.67340%0.397SS*.G310 helixtrans-52-38.7179.9-68.9169.827.500113.6P80 E81 G86 Q87P80-Q84 PolarHBondContact O-N 2.82Å; E81-Q84 PolarHBondContact O-NE2 2.81Å; Q84-G86 PolarHBondContact O-N 3.33Å; Q84-G86 VanDerWaalsContact O-N 3.11Å; Q84-Q87 WeakPolarHBondContact O-CB 3.48Å; Q84-Q87 PolarHBondContact O-N 3.11Å
85K88.1Confident92.7Very high176 Ų17682.8 Ų82.877%0.76540%0.404SS*.G310 helixtrans-58.2-26.3174.9-66.8-172.3177.9-174.70113.5R83 V145R83-K85 PolarHBondContact O-N 3.09Å; R83-K85 VanDerWaalsContact O-N 3.17Å; K85-V145 VanDerWaalsContact O-CG1 3.23Å; K85-V145 WeakPolarHBondContact O-CG1 3.45Å
86G88.3Confident92.7Very high0 Ų074 Ų740%037%0.372CS..G310 helixtrans-85.3-5175.400000114.1R70 R83 Q84 I88R70-G86 PolarHBondContact NH1-O 3.22Å; R70-G86 PolarHBondContact NH2-O 3.5Å; R83-G86 WeakPolarHBondContact O-CA 3.36Å; R83-G86 PolarHBondContact O-N 2.88Å; Q84-G86 PolarHBondContact O-N 3.33Å; Q84-G86 VanDerWaalsContact O-N 3.11Å; G86-I88 PolarHBondContact O-N 3.24Å
87Q92.3Very high92.8Very high33 Ų3367.6 Ų67.615%0.15435%0.346CS..SBendtrans-89.388.5173.1-55-57-2.200108.1H19 E22 Q84 E89H19-Q87 PolarHBondContact CD2-OE1 2.98Å; H19-Q87 PolarHBondContact CE1-OE1 3.5Å; H19-Q87 PolarHBondContact ND1-OE1 3.17Å; E22-Q87 PolarHBondContact OE1-NE2 3.15Å; E22-Q87 VanDerWaalsContact OE1-NE2 3.16Å; E22-Q87 PolarHBondContact OE1-OE1 3.33Å; E22-Q87 VanDerWaalsContact OE1-OE1 3.13Å; Q84-Q87 WeakPolarHBondContact O-CB 3.48Å; Q84-Q87 PolarHBondContact O-N 3.11Å; Q87-E89 PolarHBondContact O-N 2.72Å
88I91.4Very high92.8Very high48 Ų4864.2 Ų64.225%0.24633%0.331CS..  trans-79.5115.6-174.7-49.8171000107.7H19 G86 V92 V145H19-I88 PolarHBondContact NE2-N 3.3Å; H19-I88 PolarHBondContact NE2-O 3.49Å; G86-I88 PolarHBondContact O-N 3.24Å; I88-V92 HydrophobicContact CG2-CG1 3.78Å; I88-V145 HydrophobicContact CD1-CG2 3.43Å; I88-V145 VanDerWaalsContact CD1-CG2 3.43Å; I88-V145 HydrophobicContact CG1-CG2 3.83Å
89E91Very high92.8Very high177 Ų17764.8 Ų64.883%0.82733%0.331SS*.  trans-88.3149.3173.9-63.5179.4-178.500110.8Q87Q87-E89 PolarHBondContact O-N 2.72Å
90G92.4Very high92.8Very high47 Ų4763.1 Ų63.149%0.48532%0.322SS..SBendtrans89-171.6178.100000114.5C16C16-G90 WeakPolarHBondContact CB-O 3.31Å
91E94.4Very high92.8Very high111 Ų11164.8 Ų64.852%0.51933%0.331SS..  trans-86.6133.1-175.3-168.3170.6-153.300111.3R14 G15 T60R14-E91 WeakPolarHBondContact CD-OE1 3.5Å; R14-E91 HydrophobicContact CG-CG 3.67Å; R14-E91 WeakPolarHBondContact CG-OE1 3.46Å; G15-E91 CarbonylContact O-C 3.53Å; G15-E91 WeakPolarHBondContact O-CA 3.32Å; T60-E91 WeakPolarHBondContact CB-OE1 3.3Å; T60-E91 PolarHBondContact OG1-OE1 3.19Å
92V94.8Very high92.8Very high36 Ų3660.9 Ų60.922%0.21831%0.313CS..EExtended strand (participates in β ladder)trans-134.1147.6-178.9-61.60000111.6R14 G15 F17 F57 I88R14-V92 WeakPolarHBondContact CA-O 3.45Å; G15-V92 PolarHBondContact N-O 3.13Å; G15-V92 VanDerWaalsContact N-O 3.14Å; G15-V92 PolarHBondContact O-N 3.27Å; F17-V92 HydrophobicContact CD2-CG2 4.32Å; F17-V92 HydrophobicContact CE2-CG2 3.85Å; F57-V92 HydrophobicContact CE2-CG2 3.77Å; F57-V92 HydrophobicContact CZ-CG2 4.22Å; I88-V92 HydrophobicContact CG2-CG1 3.78Å
93D94.9Very high92.7Very high79 Ų7963.7 Ų63.742%0.42233%0.33SS..EExtended strand (participates in β ladder)trans-84.6117.1166.6-84.1-12.5000109.1K12 R14K12-D93 WeakPolarHBondContact CE-OD2 3.39Å; K12-D93 IonicContact NZ-OD1 3.99Å; K12-D93 IonicContact NZ-OD2 2.75Å; K12-D93 PolarHBondContact NZ-OD2 3.08Å; R14-D93 WeakPolarHBondContact CG-OD1 3.5Å; R14-D93 IonicContact CZ-OD1 3.66Å; R14-D93 IonicContact NE-OD1 2.64Å; R14-D93 PolarHBondContact NE-OD1 2.84Å; R14-D93 IonicContact NH2-OD1 3.57Å
94L94.5Very high92.7Very high5 Ų568.5 Ų68.53%0.02635%0.348CS..EExtended strand (participates in β ladder)trans-109.7131.3178.9-176.879.5000110.3K12 V13 F17 F57 V68 A139 S143K12-L94 WeakPolarHBondContact CA-O 3.1Å; V13-L94 HydrophobicContact CG2-CB 3.89Å; V13-L94 HydrophobicContact CG2-CD2 3.92Å; V13-L94 HydrophobicContact CG2-CG 4.38Å; V13-L94 PolarHBondContact N-O 3.26Å; V13-L94 PolarHBondContact O-N 2.87Å; F17-L94 HydrophobicContact CZ-CD1 4.33Å; F57-L94 HydrophobicContact CZ-CB 4.33Å; V68-L94 HydrophobicContact CB-CD2 4.18Å; V68-L94 HydrophobicContact CG1-CD1 4.47Å; V68-L94 HydrophobicContact CG1-CD2 3.46Å; V68-L94 VanDerWaalsContact CG1-CD2 3.46Å; V68-L94 HydrophobicContact CG2-CD2 3.59Å; L94-A139 HydrophobicContact CD1-CB 3.91Å; L94-S143 WeakPolarHBondContact CD1-OG 3.31Å
95I95.4Very high92.6Very high67 Ų6768.1 Ų68.134%0.34435%0.347SS..EExtended strand (participates in β ladder)trans-113.4130170.8-58.9171.3000107.9V11 K12 N140V11-I95 WeakPolarHBondContact O-CA 3.39Å; K12-I95 HydrophobicContact CB-CG1 4.4Å; K12-I95 HydrophobicContact CG-CG1 4.14Å; I95-N140 WeakPolarHBondContact O-CB 3.25Å; I95-N140 VanDerWaalsContact O-CG 3.25Å; I95-N140 PolarHBondContact O-N 3.08Å
96G93.9Very high92.6Very high2 Ų264.6 Ų64.62%0.02134%0.342CS..EExtended strand (participates in β ladder)trans-158.8-176.4179.500000112.8P10 V11 D138P10-G96 CarbonylContact C-O 3.56Å; P10-G96 WeakPolarHBondContact CA-O 3.43Å; V11-G96 PolarHBondContact N-O 2.99Å; V11-G96 PolarHBondContact O-N 2.98Å; G96-D138 CarbonylContact C-O 3.53Å; G96-D138 WeakPolarHBondContact CA-O 2.87Å
97M93.7Very high92.7Very high59 Ų5974.3 Ų74.329%0.29138%0.384SS..EExtended strand (participates in β ladder)trans-112.5132.6-180-62.1174.685.200110Y8 R99 I137 D138Y8-M97 HydrophobicContact CD1-CE 4.31Å; Y8-M97 WeakPolarHBondContact O-CE 3.25Å; M97-R99 PolarHBondContact O-N 3Å; M97-I137 WeakPolarHBondContact O-CA 3.23Å; M97-D138 PolarHBondContact N-O 3.15Å; M97-D138 PolarHBondContact O-N 3.38Å
98V93.6Very high92.6Very high5 Ų574.6 Ų74.63%0.0339%0.388CS..EExtended strand (participates in β ladder)trans-68.3134.6173.81790000109.2L3 L6 Y8 R9 V11 F136L3-V98 HydrophobicContact CD1-CG1 4.41Å; L3-V98 HydrophobicContact CG-CG1 4.09Å; L6-V98 HydrophobicContact CB-CB 4.34Å; L6-V98 HydrophobicContact CB-CG1 4.49Å; L6-V98 HydrophobicContact CB-CG2 4.21Å; L6-V98 WeakPolarHBondContact O-CB 3.21Å; Y8-V98 PolarHBondContact N-O 2.74Å; R9-V98 PolarHBondContact O-N 3.38Å; V11-V98 HydrophobicContact CB-CG2 4.45Å; V11-V98 HydrophobicContact CG1-CG2 3.77Å; V11-V98 HydrophobicContact CG2-CG2 3.79Å; V98-F136 WeakPolarHBondContact CA-O 3.36Å
99R93.2Very high92.7Very high36 Ų3675.9 Ų75.914%0.13640%0.4CS..  trans-133.8139.4175.2-60.8-66.8-59.6-78.75.8110.8Y8 M97 R121 F136 D138Y8-R99 PolarHBondContact OH-NH2 2.77Å; M97-R99 PolarHBondContact O-N 3Å; R99-R121 VanDerWaalsContact CB-CZ 3.4Å; R99-F136 HydrophobicContact CB-CD1 4.01Å; R99-F136 HydrophobicContact CB-CE1 4.35Å; R99-F136 PolarHBondContact N-O 3.03Å; R99-F136 VanDerWaalsContact N-O 3.08Å; R99-D138 HydrophobicContact CG-CB 4.37Å; R99-D138 WeakPolarHBondContact CG-OD2 3.43Å; R99-D138 IonicContact NH1-OD2 2.84Å; R99-D138 PolarHBondContact NH1-OD2 3.33Å
100L93.2Very high92.9Very high39 Ų3974.2 Ų74.220%0.20439%0.392CS..PPolyproline II helixtrans-86164.1-177.7-58.5179.3000112.1K4 E7 E102 R121K4-L100 HydrophobicContact CB-CD1 4.44Å; K4-L100 HydrophobicContact CG-CD1 4.09Å; E7-L100 HydrophobicContact CB-CD1 4.29Å; E7-L100 HydrophobicContact CB-CG 4.16Å; E7-L100 HydrophobicContact CG-CD1 4.39Å; E7-L100 HydrophobicContact CG-CG 4.02Å; E7-L100 PolarHBondContact OE1-N 2.67Å; E7-L100 WeakPolarHBondContact OE2-CD1 3.48Å; L100-E102 PolarHBondContact O-N 3.47Å; L100-R121 PolarHBondContact O-NE 2.91Å; L100-R121 PolarHBondContact O-NH2 2.97Å
101T94.2Very high93Very high74 Ų7473 Ų7345%0.45437%0.374SS..PPolyproline II helixtrans-52.1138.4174.1-160.40000111.4R121 L123T101-R121 PolarHBondContact OG1-O 2.98Å; T101-R121 VanDerWaalsContact OG1-O 3.05Å; T101-L123 PolarHBondContact OG1-N 3.26Å
102E91.8Very high93.1Very high61 Ų6170.3 Ų70.329%0.28536%0.363SS..PPolyproline II helixtrans-80.1140.6177.8-74.4174.5168.200109.9R28 L100 Y120 R121R28-E102 IonicContact NH2-OE2 3.61Å; L100-E102 PolarHBondContact O-N 3.47Å; E102-Y120 WeakPolarHBondContact OE2-CA 3.18Å; E102-R121 HydrophobicContact CB-CB 4.21Å; E102-R121 HydrophobicContact CG-CB 3.88Å; E102-R121 PolarHBondContact N-O 2.74Å; E102-R121 IonicContact OE1-NH2 2.84Å; E102-R121 PolarHBondContact OE2-N 2.81Å
103T90.9Very high93.1Very high132 Ų13271.4 Ų71.481%0.8137%0.371SS*.PPolyproline II helixtrans-80.1124.1164.6-56.40000108.2Q105T103-Q105 PolarHBondContact O-N 3.5Å
104R92.5Very high93Very high107 Ų10776.6 Ų76.640%0.40439%0.393SS..PPolyproline II helixtrans-60.2123.1177.2179.5-179.8168.7-102.20.8110V108 Y120R104-V108 HydrophobicContact CG-CB 4.3Å; R104-V108 PolarHBondContact NE-O 2.77Å; R104-V108 PolarHBondContact NH2-O 2.82Å; R104-Y120 HydrophobicContact CB-CD1 4.33Å; R104-Y120 HydrophobicContact CB-CD2 4.27Å; R104-Y120 HydrophobicContact CB-CE1 4.18Å; R104-Y120 HydrophobicContact CB-CE2 4.1Å; R104-Y120 HydrophobicContact CB-CG 4.39Å; R104-Y120 HydrophobicContact CG-CD1 4.1Å; R104-Y120 HydrophobicContact CG-CE1 3.91Å
105Q89.7Confident93Very high137 Ų13785.3 Ų85.364%0.6443%0.426SS*.PPolyproline II helixtrans-77.6151.8175.2-65.2-177.1-4.100111T103 F107 V108T103-Q105 PolarHBondContact O-N 3.5Å; Q105-F107 PolarHBondContact O-N 2.93Å; Q105-V108 HydrophobicContact CB-CG2 3.93Å; Q105-V108 PolarHBondContact O-N 3.22Å
106P88.3Confident93Very high102 Ų10284 Ų8466%0.66242%0.419SS*.THydrogen-bonded Turntrans-51.7139.2168.2-23.834.2000110V108P106-V108 VanDerWaalsContact C-N 3.29Å; P106-V108 PolarHBondContact O-N 2.87Å
107F89.6Confident93Very high204 Ų20487.4 Ų87.490%0.89544%0.435SS*.THydrogen-bonded Turntrans73.8-1.9-179-42.5-74.3000117.5Q105Q105-F107 PolarHBondContact O-N 2.93Å
108V90.7Very high93.2Very high39 Ų3984.6 Ų84.624%0.23642%0.421CS..PPolyproline II helixtrans-77.8128.3166.41780000108.6R104 Q105 P106 H119 Y120R104-V108 HydrophobicContact CG-CB 4.3Å; R104-V108 PolarHBondContact NE-O 2.77Å; R104-V108 PolarHBondContact NH2-O 2.82Å; Q105-V108 HydrophobicContact CB-CG2 3.93Å; Q105-V108 PolarHBondContact O-N 3.22Å; P106-V108 VanDerWaalsContact C-N 3.29Å; P106-V108 PolarHBondContact O-N 2.87Å; V108-H119 HydrophobicContact CG1-CB 3.87Å; V108-Y120 HydrophobicContact CG1-CD1 3.98Å
109P93.8Very high93.2Very high75 Ų7586.8 Ų86.849%0.48743%0.431SS..PPolyproline II helixtrans-60.9157.7177.2-20.431.6000112.5
110E94.8Very high93.3Very high141 Ų14186.8 Ų86.866%0.65943%0.431SS*.PPolyproline II helixtrans-69.9146.8174.1-68.7-171.5170.600111.4H119E110-H119 PolarHBondContact O-CD2 3.48Å; E110-H119 VanDerWaalsContact O-CD2 3.26Å
111N96.2Very high93.4Very high21 Ų2185.4 Ų85.411%0.11242%0.423CS..PPolyproline II helixtrans-60.9146.9174.7-69.6-27000110.4P113 W118 H119 Y120N111-P113 VanDerWaalsContact O-CD 3.31Å; N111-P113 WeakPolarHBondContact O-CD 3.31Å; N111-W118 HydrophobicContact CB-CE3 3.8Å; N111-W118 HydrophobicContact CB-CZ3 4.14Å; N111-W118 WeakPolarHBondContact OD1-CA 3.35Å; N111-H119 PolarHBondContact OD1-N 2.78Å; N111-Y120 HydrophobicContact CB-CE1 4.43Å; N111-Y120 WeakPolarHBondContact ND2-CE2 3.39Å; N111-Y120 VanDerWaalsContact ND2-CZ 3.34Å; N111-Y120 PolarHBondContact ND2-O 3.38Å; N111-Y120 VanDerWaalsContact ND2-O 3.13Å; N111-Y120 WeakPolarHBondContact OD1-CD1 3.21Å; N111-Y120 WeakPolarHBondContact OD1-CE1 3.41Å; N111-Y120 PolarHBondContact OD1-N 2.97Å; N111-Y120 PolarHBondContact OD1-O 2.88Å
112N95.8Very high93.5Very high55 Ų5583.7 Ų83.729%0.29441%0.411SS..BIsolated β-bridgetrans-117.387.9173.5-172.2-35.3000109.7E114 R115 N116 H117N112-E114 VanDerWaalsContact C-N 3.32Å; N112-E114 PolarHBondContact O-N 2.83Å; N112-E114 PolarHBondContact OD1-N 3.2Å; N112-R115 PolarHBondContact O-N 2.64Å; N112-R115 PolarHBondContact OD1-N 3.44Å; N112-N116 PolarHBondContact O-N 3.28Å; N112-N116 VanDerWaalsContact O-N 3.15Å; N112-H117 HydrophobicContact CB-CB 4.36Å; N112-H117 PolarHBondContact N-O 2.83Å; N112-H117 PolarHBondContact O-N 2.9Å
113P94.5Very high93.7Very high59 Ų5981.1 Ų81.138%0.38340%0.399SS..THydrogen-bonded Turntrans-52.2-43175.7-35.141.4000114.9N111 R115 N116 W118 I129N111-P113 VanDerWaalsContact O-CD 3.31Å; N111-P113 WeakPolarHBondContact O-CD 3.31Å; P113-R115 VanDerWaalsContact C-N 3.29Å; P113-R115 PolarHBondContact O-N 2.91Å; P113-N116 PolarHBondContact O-N 3.17Å; P113-W118 HydrophobicContact CG-CH2 4.19Å; P113-I129 HydrophobicContact CB-CD1 3.61Å; P113-I129 HydrophobicContact CG-CD1 4.17Å
114E93.4Very high93.9Very high189 Ų18980 Ų8088%0.88338%0.384SS*.THydrogen-bonded Turntrans-65-34.6-174.5-60.7-174.2173.400112.3N112N112-E114 VanDerWaalsContact C-N 3.32Å; N112-E114 PolarHBondContact O-N 2.83Å; N112-E114 PolarHBondContact OD1-N 3.2Å
115R93.8Very high94.1Very high188 Ų18875.7 Ų75.771%0.70937%0.372SS*.THydrogen-bonded Turntrans-954.6176.4-62.8-173179.3-171.9-0.5113.4N112 P113 H117N112-R115 PolarHBondContact O-N 2.64Å; N112-R115 PolarHBondContact OD1-N 3.44Å; P113-R115 VanDerWaalsContact C-N 3.29Å; P113-R115 PolarHBondContact O-N 2.91Å; R115-H117 PolarHBondContact O-N 3.43Å
116N95Very high94.4Very high38 Ų3869.1 Ų69.120%0.20334%0.341CS..THydrogen-bonded Turntrans52.139.9-175-163.815.2000113.6E22 L23 Y24 N112 P113 W118E22-N116 PolarHBondContact O-ND2 3Å; L23-N116 VanDerWaalsContact CA-OD1 3.25Å; L23-N116 WeakPolarHBondContact CA-OD1 3.44Å; L23-N116 VanDerWaalsContact CD2-OD1 3.3Å; L23-N116 WeakPolarHBondContact CD2-OD1 3.38Å; Y24-N116 WeakPolarHBondContact CD2-ND2 3.25Å; Y24-N116 PolarHBondContact N-OD1 3.45Å; N112-N116 PolarHBondContact O-N 3.28Å; N112-N116 VanDerWaalsContact O-N 3.15Å; P113-N116 PolarHBondContact O-N 3.17Å; N116-W118 PolarHBondContact OD1-NE1 2.94Å
117H95.1Very high94.8Very high75 Ų7564.6 Ų64.635%0.34731%0.313SS..EExtended strand (participates in β ladder)trans-111.1112.1177.5-79.9153.6000110.1M26 N112 R115M26-H117 PolarHBondContact SD-CD2 3.46Å; N112-H117 HydrophobicContact CB-CB 4.36Å; N112-H117 PolarHBondContact N-O 2.83Å; N112-H117 PolarHBondContact O-N 2.9Å; R115-H117 PolarHBondContact O-N 3.43Å
118W96.5Very high95.1Very high0 Ų064 Ų640%030%0.304CS..EExtended strand (participates in β ladder)trans-113.5121.4-177-57.984.4000110.4L23 Y24 M25 M26 N111 P113 N116 D122 A125 M126 I129L23-W118 HydrophobicContact CD1-CZ2 4.3Å; L23-W118 HydrophobicContact CD2-CZ2 4.34Å; Y24-W118 PolarHBondContact O-N 3.32Å; M25-W118 CarbonylContact C-O 3.56Å; M25-W118 WeakPolarHBondContact CA-O 3.34Å; M25-W118 HydrophobicContact CB-CB 4.43Å; M25-W118 HydrophobicContact CG-CB 3.87Å; M26-W118 PolarHBondContact N-O 3.28Å; N111-W118 HydrophobicContact CB-CE3 3.8Å; N111-W118 HydrophobicContact CB-CZ3 4.14Å; N111-W118 WeakPolarHBondContact OD1-CA 3.35Å; P113-W118 HydrophobicContact CG-CH2 4.19Å; N116-W118 PolarHBondContact OD1-NE1 2.94Å; W118-D122 HydrophobicContact CZ3-CB 4.45Å; W118-A125 HydrophobicContact CH2-CB 3.88Å; W118-A125 HydrophobicContact CZ3-CB 3.75Å; W118-M126 HydrophobicContact CB-CE 3.78Å; W118-M126 HydrophobicContact CD2-CE 3.58Å; W118-M126 HydrophobicContact CD2-CG 4.02Å; W118-M126 HydrophobicContact CE3-CE 3.44Å; W118-M126 VanDerWaalsContact CE3-CE 3.44Å; W118-M126 HydrophobicContact CE3-CG 3.67Å; W118-M126 HydrophobicContact CE3-SD 4.44Å; W118-M126 HydrophobicContact CG-CE 3.73Å; W118-M126 HydrophobicContact CH2-CB 4.34Å; W118-M126 HydrophobicContact CH2-CG 3.67Å; W118-M126 HydrophobicContact CZ2-CG 4Å; W118-M126 HydrophobicContact CZ3-CE 4.24Å; W118-M126 HydrophobicContact CZ3-CG 3.5Å; W118-M126 VanDerWaalsContact CZ3-CG 3.5Å; W118-I129 HydrophobicContact CH2-CD1 3.48Å; W118-I129 VanDerWaalsContact CH2-CD1 3.48Å; W118-I129 HydrophobicContact CZ2-CD1 3.38Å
119H94.9Very high95.4Very high51 Ų5166.2 Ų66.224%0.23631%0.314CS..SBendtrans-89.4-36.5177-63.1-55.5000111.9M26 R28 V108 E110 N111M26-H119 PolarHBondContact O-ND1 2.87Å; R28-H119 PolarHBondContact NH2-O 2.86Å; V108-H119 HydrophobicContact CG1-CB 3.87Å; E110-H119 PolarHBondContact O-CD2 3.48Å; E110-H119 VanDerWaalsContact O-CD2 3.26Å; N111-H119 PolarHBondContact OD1-N 2.78Å
120Y94.6Very high95.5Very high36 Ų3662.8 Ų62.814%0.14129%0.292CS..SBendtrans-133.9159.5178.660.4-84.5000111E102 R104 V108 N111 D122E102-Y120 WeakPolarHBondContact OE2-CA 3.18Å; R104-Y120 HydrophobicContact CB-CD1 4.33Å; R104-Y120 HydrophobicContact CB-CD2 4.27Å; R104-Y120 HydrophobicContact CB-CE1 4.18Å; R104-Y120 HydrophobicContact CB-CE2 4.1Å; R104-Y120 HydrophobicContact CB-CG 4.39Å; R104-Y120 HydrophobicContact CG-CD1 4.1Å; R104-Y120 HydrophobicContact CG-CE1 3.91Å; V108-Y120 HydrophobicContact CG1-CD1 3.98Å; N111-Y120 HydrophobicContact CB-CE1 4.43Å; N111-Y120 WeakPolarHBondContact ND2-CE2 3.39Å; N111-Y120 VanDerWaalsContact ND2-CZ 3.34Å; N111-Y120 PolarHBondContact ND2-O 3.38Å; N111-Y120 VanDerWaalsContact ND2-O 3.13Å; N111-Y120 WeakPolarHBondContact OD1-CD1 3.21Å; N111-Y120 WeakPolarHBondContact OD1-CE1 3.41Å; N111-Y120 PolarHBondContact OD1-N 2.97Å; N111-Y120 PolarHBondContact OD1-O 2.88Å; Y120-D122 HydrophobicContact CD2-CB 4.23Å; Y120-D122 HydrophobicContact CE2-CB 3.82Å; Y120-D122 PolarHBondContact O-N 3.17Å; Y120-D122 VanDerWaalsContact O-N 3.14Å
121R95.5Very high95.5Very high9 Ų959.1 Ų59.13%0.03429%0.291CS..  trans-77.198.1-179.9-179.8173.259.7-142.6-7.7110.8M25 R99 L100 T101 E102 L123 F136M25-R121 HydrophobicContact CE-CB 3.87Å; R99-R121 VanDerWaalsContact CB-CZ 3.4Å; L100-R121 PolarHBondContact O-NE 2.91Å; L100-R121 PolarHBondContact O-NH2 2.97Å; T101-R121 PolarHBondContact OG1-O 2.98Å; T101-R121 VanDerWaalsContact OG1-O 3.05Å; E102-R121 HydrophobicContact CB-CB 4.21Å; E102-R121 HydrophobicContact CG-CB 3.88Å; E102-R121 PolarHBondContact N-O 2.74Å; E102-R121 IonicContact OE1-NH2 2.84Å; E102-R121 PolarHBondContact OE2-N 2.81Å; R121-L123 HydrophobicContact CG-CD2 3.43Å; R121-L123 VanDerWaalsContact CG-CD2 3.43Å; R121-L123 HydrophobicContact CG-CG 4.06Å; R121-F136 HydrophobicContact CG-CD2 4.33Å; R121-F136 HydrophobicContact CG-CE2 4.27Å; R121-F136 HydrophobicContact CG-CZ 4.48Å; R121-F136 VanDerWaalsContact NH1-CE1 3.29Å
122D96.3Very high95.5Very high39 Ų3958.5 Ų58.521%0.20929%0.289CS..  trans-10497170.1-173.1-30.1000109.2W118 Y120 E124 A125 M126W118-D122 HydrophobicContact CZ3-CB 4.45Å; Y120-D122 HydrophobicContact CD2-CB 4.23Å; Y120-D122 HydrophobicContact CE2-CB 3.82Å; Y120-D122 PolarHBondContact O-N 3.17Å; Y120-D122 VanDerWaalsContact O-N 3.14Å; D122-E124 VanDerWaalsContact C-N 3.33Å; D122-E124 PolarHBondContact O-N 3.44Å; D122-E124 PolarHBondContact OD1-N 3.3Å; D122-A125 HydrophobicContact CB-CB 4.03Å; D122-A125 VanDerWaalsContact CG-CB 3.48Å; D122-A125 PolarHBondContact O-N 2.73Å; D122-A125 WeakPolarHBondContact OD1-CB 3.46Å; D122-A125 PolarHBondContact OD1-N 3.11Å; D122-M126 WeakPolarHBondContact O-CB 3.49Å; D122-M126 WeakPolarHBondContact O-CG 3.44Å; D122-M126 PolarHBondContact O-N 2.68Å
123L95.8Very high95.5Very high7 Ų760.7 Ų60.74%0.03730%0.298CS..Hα-helixtrans-66.3-36.4-172.4-63-173.2000112.7L67 T101 R121 M126 A127 P134 F136L67-L123 HydrophobicContact CD1-CD2 4.1Å; T101-L123 PolarHBondContact OG1-N 3.26Å; R121-L123 HydrophobicContact CG-CD2 3.43Å; R121-L123 VanDerWaalsContact CG-CD2 3.43Å; R121-L123 HydrophobicContact CG-CG 4.06Å; L123-M126 PolarHBondContact O-N 2.78Å; L123-A127 WeakPolarHBondContact O-CB 3.48Å; L123-A127 PolarHBondContact O-N 3.22Å; L123-P134 HydrophobicContact CB-CB 4Å; L123-P134 WeakPolarHBondContact CD1-O 3.42Å; L123-F136 HydrophobicContact CD1-CB 3.86Å; L123-F136 HydrophobicContact CD2-CB 3.42Å; L123-F136 VanDerWaalsContact CD2-CB 3.42Å; L123-F136 HydrophobicContact CD2-CD2 3.7Å; L123-F136 HydrophobicContact CD2-CG 3.81Å; L123-F136 HydrophobicContact CG-CB 4.3Å
124E95.7Very high95.6Very high107 Ų10759.7 Ų59.750%0.529%0.291SS..Hα-helixtrans-69-40.2-179.4-66.3-64.5170.900111.5D122 R128D122-E124 VanDerWaalsContact C-N 3.33Å; D122-E124 PolarHBondContact O-N 3.44Å; D122-E124 PolarHBondContact OD1-N 3.3Å; E124-R128 WeakPolarHBondContact O-CB 3.42Å; E124-R128 VanDerWaalsContact O-CG 3.3Å; E124-R128 WeakPolarHBondContact O-CG 3.37Å; E124-R128 PolarHBondContact O-N 3.34Å; E124-R128 PolarHBondContact O-NE 3.26Å
125A96Very high95.7Very high17 Ų1753 Ų5314%0.1426%0.261CS..Hα-helixtrans-70.2-42.9175.900000111.7W118 D122 R128 I129W118-A125 HydrophobicContact CH2-CB 3.88Å; W118-A125 HydrophobicContact CZ3-CB 3.75Å; D122-A125 HydrophobicContact CB-CB 4.03Å; D122-A125 VanDerWaalsContact CG-CB 3.48Å; D122-A125 PolarHBondContact O-N 2.73Å; D122-A125 WeakPolarHBondContact OD1-CB 3.46Å; D122-A125 PolarHBondContact OD1-N 3.11Å; A125-R128 PolarHBondContact O-N 2.89Å; A125-I129 VanDerWaalsContact O-CD1 3.31Å; A125-I129 WeakPolarHBondContact O-CD1 3.48Å; A125-I129 PolarHBondContact O-N 3.08Å
126M97.3Very high95.8Very high0 Ų044.1 Ų44.10%023%0.227CC..Hα-helixtrans-64.5-43.6178.1-69.6178.917600112L23 M25 L67 W118 D122 L123 I129 T130L23-M126 HydrophobicContact CD1-CB 3.63Å; L23-M126 HydrophobicContact CD1-CG 3.66Å; L23-M126 HydrophobicContact CD1-SD 4.29Å; M25-M126 HydrophobicContact CG-CE 3.9Å; M25-M126 HydrophobicContact SD-CE 4.05Å; L67-M126 HydrophobicContact CD1-CB 3.61Å; W118-M126 HydrophobicContact CB-CE 3.78Å; W118-M126 HydrophobicContact CD2-CE 3.58Å; W118-M126 HydrophobicContact CD2-CG 4.02Å; W118-M126 HydrophobicContact CE3-CE 3.44Å; W118-M126 VanDerWaalsContact CE3-CE 3.44Å; W118-M126 HydrophobicContact CE3-CG 3.67Å; W118-M126 HydrophobicContact CE3-SD 4.44Å; W118-M126 HydrophobicContact CG-CE 3.73Å; W118-M126 HydrophobicContact CH2-CB 4.34Å; W118-M126 HydrophobicContact CH2-CG 3.67Å; W118-M126 HydrophobicContact CZ2-CG 4Å; W118-M126 HydrophobicContact CZ3-CE 4.24Å; W118-M126 HydrophobicContact CZ3-CG 3.5Å; W118-M126 VanDerWaalsContact CZ3-CG 3.5Å; D122-M126 WeakPolarHBondContact O-CB 3.49Å; D122-M126 WeakPolarHBondContact O-CG 3.44Å; D122-M126 PolarHBondContact O-N 2.68Å; L123-M126 PolarHBondContact O-N 2.78Å; M126-I129 PolarHBondContact O-N 2.79Å; M126-T130 WeakPolarHBondContact O-CG2 3.23Å; M126-T130 PolarHBondContact O-N 3.43Å; M126-T130 VanDerWaalsContact O-N 3.13Å; M126-T130 PolarHBondContact O-OG1 2.96Å
127A96.3Very high95.8Very high7 Ų742.5 Ų42.56%0.05822%0.219CC..Hα-helixtrans-57.3-49.4175.800000111.5L123 I129 T130 G131 A132 P134L123-A127 WeakPolarHBondContact O-CB 3.48Å; L123-A127 PolarHBondContact O-N 3.22Å; A127-I129 VanDerWaalsContact C-N 3.27Å; A127-I129 PolarHBondContact O-N 2.8Å; A127-T130 PolarHBondContact O-N 2.85Å; A127-T130 PolarHBondContact O-OG1 3.24Å; A127-G131 WeakPolarHBondContact O-CA 3.21Å; A127-G131 PolarHBondContact O-N 3.43Å; A127-A132 WeakPolarHBondContact CA-O 3.48Å; A127-A132 WeakPolarHBondContact CB-O 3.08Å; A127-A132 PolarHBondContact O-N 3.2Å; A127-P134 HydrophobicContact CB-CB 4.24Å
128R96Very high95.8Very high191 Ų19139.4 Ų39.472%0.72121%0.205SC*.Hα-helixtrans-56.4-36.2179.9-83.1-179.7-83173.8-7.2114.2E124 A125E124-R128 WeakPolarHBondContact O-CB 3.42Å; E124-R128 VanDerWaalsContact O-CG 3.3Å; E124-R128 WeakPolarHBondContact O-CG 3.37Å; E124-R128 PolarHBondContact O-N 3.34Å; E124-R128 PolarHBondContact O-NE 3.26Å; A125-R128 PolarHBondContact O-N 2.89Å
129I95.8Very high95.7Very high86 Ų8639.5 Ų39.544%0.44121%0.206SC..Hα-helixtrans-81.7-36.8-178.1-65154.8000111.3P113 W118 A125 M126 A127P113-I129 HydrophobicContact CB-CD1 3.61Å; P113-I129 HydrophobicContact CG-CD1 4.17Å; W118-I129 HydrophobicContact CH2-CD1 3.48Å; W118-I129 VanDerWaalsContact CH2-CD1 3.48Å; W118-I129 HydrophobicContact CZ2-CD1 3.38Å; A125-I129 VanDerWaalsContact O-CD1 3.31Å; A125-I129 WeakPolarHBondContact O-CD1 3.48Å; A125-I129 PolarHBondContact O-N 3.08Å; M126-I129 PolarHBondContact O-N 2.79Å; A127-I129 VanDerWaalsContact C-N 3.27Å; A127-I129 PolarHBondContact O-N 2.8Å
130T95.9Very high95.7Very high3 Ų338.8 Ų38.82%0.01820%0.204CC..Hα-helixtrans-86.4-23.9-174.954.10000112.8K21 L23 P56 L67 M126 A127 A132K21-T130 HydrophobicContact CB-CG2 4.37Å; K21-T130 VanDerWaalsContact CD-O 3.32Å; K21-T130 WeakPolarHBondContact CD-O 3.17Å; K21-T130 PolarHBondContact NZ-O 2.89Å; L23-T130 HydrophobicContact CD1-CG2 3.73Å; L23-T130 HydrophobicContact CD2-CG2 4.04Å; L23-T130 HydrophobicContact CG-CG2 3.94Å; P56-T130 HydrophobicContact CG-CG2 3.56Å; L67-T130 HydrophobicContact CD2-CG2 4.22Å; M126-T130 WeakPolarHBondContact O-CG2 3.23Å; M126-T130 PolarHBondContact O-N 3.43Å; M126-T130 VanDerWaalsContact O-N 3.13Å; M126-T130 PolarHBondContact O-OG1 2.96Å; A127-T130 PolarHBondContact O-N 2.85Å; A127-T130 PolarHBondContact O-OG1 3.24Å; T130-A132 VanDerWaalsContact C-N 3.26Å; T130-A132 WeakPolarHBondContact OG1-CB 3.13Å; T130-A132 PolarHBondContact OG1-N 2.99Å
131G95.4Very high95.5Very high63 Ų6343.3 Ų43.365%0.64922%0.224SC*.THydrogen-bonded Turntrans75.416.4-167.300000112.9A127A127-G131 WeakPolarHBondContact O-CA 3.21Å; A127-G131 PolarHBondContact O-N 3.43Å
132A96.5Very high95.2Very high8 Ų850.4 Ų50.47%0.06626%0.258CS..  trans-85160.1173.600000110.8T65 L67 A127 T130T65-A132 HydrophobicContact CG2-CB 3.95Å; T65-A132 CarbonylContact O-C 3.4Å; T65-A132 WeakPolarHBondContact O-CA 3.2Å; T65-A132 WeakPolarHBondContact O-CB 3.48Å; L67-A132 HydrophobicContact CD2-CB 3.96Å; L67-A132 HydrophobicContact CG-CB 4.05Å; A127-A132 WeakPolarHBondContact CA-O 3.48Å; A127-A132 WeakPolarHBondContact CB-O 3.08Å; A127-A132 PolarHBondContact O-N 3.2Å; T130-A132 VanDerWaalsContact C-N 3.26Å; T130-A132 WeakPolarHBondContact OG1-CB 3.13Å; T130-A132 PolarHBondContact OG1-N 2.99Å
133E95.9Very high94.9Very high102 Ų10250 Ų5048%0.47726%0.258SS..  trans-69.3151.8164.8-69.1-60.5141.400110.3V64 T65 I135V64-E133 HydrophobicContact CB-CG 4.37Å; T65-E133 PolarHBondContact O-N 3.4Å; E133-I135 HydrophobicContact CB-CD1 4.15Å; E133-I135 HydrophobicContact CB-CG1 4.19Å; E133-I135 PolarHBondContact O-N 2.83Å
134P95.8Very high94.7Very high38 Ų3851.6 Ų51.625%0.24727%0.268CS..SBendtrans-74.446.1178.433.1-36.3000112.2L123 A127L123-P134 HydrophobicContact CB-CB 4Å; L123-P134 WeakPolarHBondContact CD1-O 3.42Å; A127-P134 HydrophobicContact CB-CB 4.24Å
135I94.8Very high94.3Very high48 Ų4847.8 Ų47.825%0.24625%0.252CS..  trans-109.4129.7175.8-60.6173000107.1L3 I66 L67 E133L3-I135 HydrophobicContact CD1-CG1 4.36Å; L3-I135 HydrophobicContact CD1-CG2 4.19Å; L3-I135 HydrophobicContact CD2-CG1 4.1Å; L3-I135 HydrophobicContact CD2-CG2 4.44Å; I66-I135 HydrophobicContact CB-CB 4.14Å; I66-I135 HydrophobicContact CB-CG2 4.23Å; I66-I135 HydrophobicContact CG2-CB 3.81Å; I66-I135 HydrophobicContact CG2-CD1 4.14Å; I66-I135 HydrophobicContact CG2-CG2 3.94Å; L67-I135 WeakPolarHBondContact CB-O 3.43Å; L67-I135 PolarHBondContact N-O 2.88Å; E133-I135 HydrophobicContact CB-CD1 4.15Å; E133-I135 HydrophobicContact CB-CG1 4.19Å; E133-I135 PolarHBondContact O-N 2.83Å
136F95.9Very high93.9Very high1 Ų152.3 Ų52.30%0.00428%0.28CS..EExtended strand (participates in β ladder)trans-131.6133.1-175.2-177.5-80.1000112.7V54 L67 N69 V98 R99 R121 L123 D138V54-F136 HydrophobicContact CG1-CD2 4.39Å; V54-F136 HydrophobicContact CG1-CE2 3.93Å; V54-F136 HydrophobicContact CG2-CE2 3.87Å; V54-F136 HydrophobicContact CG2-CZ 4.39Å; L67-F136 HydrophobicContact CB-CB 4.42Å; L67-F136 HydrophobicContact CB-CD2 3.81Å; L67-F136 CarbonylContact O-C 3.37Å; L67-F136 VanDerWaalsContact O-CA 3.24Å; L67-F136 WeakPolarHBondContact O-CA 3.38Å; N69-F136 HydrophobicContact CB-CE1 3.91Å; N69-F136 HydrophobicContact CB-CE2 4.01Å; N69-F136 HydrophobicContact CB-CZ 3.35Å; V98-F136 WeakPolarHBondContact CA-O 3.36Å; R99-F136 HydrophobicContact CB-CD1 4.01Å; R99-F136 HydrophobicContact CB-CE1 4.35Å; R99-F136 PolarHBondContact N-O 3.03Å; R99-F136 VanDerWaalsContact N-O 3.08Å; R121-F136 HydrophobicContact CG-CD2 4.33Å; R121-F136 HydrophobicContact CG-CE2 4.27Å; R121-F136 HydrophobicContact CG-CZ 4.48Å; R121-F136 VanDerWaalsContact NH1-CE1 3.29Å; L123-F136 HydrophobicContact CD1-CB 3.86Å; L123-F136 HydrophobicContact CD2-CB 3.42Å; L123-F136 VanDerWaalsContact CD2-CB 3.42Å; L123-F136 HydrophobicContact CD2-CD2 3.7Å; L123-F136 HydrophobicContact CD2-CG 3.81Å; L123-F136 HydrophobicContact CG-CB 4.3Å; F136-D138 VanDerWaalsContact CE1-OD1 3.24Å; F136-D138 WeakPolarHBondContact CE1-OD1 3.5Å
137I95.8Very high93.2Very high5 Ų553.9 Ų53.93%0.02630%0.296CS..EExtended strand (participates in β ladder)trans-123.4126.7178.9-60.3178.3000109.7V11 V13 I66 L67 V68 N69 M97V11-I137 HydrophobicContact CG2-CD1 3.65Å; V11-I137 HydrophobicContact CG2-CG1 4.1Å; V11-I137 HydrophobicContact CG2-CG2 4.32Å; V13-I137 HydrophobicContact CG1-CD1 3.91Å; V13-I137 HydrophobicContact CG2-CD1 4.11Å; I66-I137 HydrophobicContact CD1-CD1 3.43Å; I66-I137 VanDerWaalsContact CD1-CD1 3.43Å; I66-I137 HydrophobicContact CD1-CG1 4.12Å; L67-I137 PolarHBondContact O-N 3.44Å; V68-I137 CarbonylContact C-O 3.59Å; V68-I137 WeakPolarHBondContact CA-O 3.48Å; V68-I137 HydrophobicContact CG2-CB 4.45Å; N69-I137 PolarHBondContact N-O 2.79Å; M97-I137 WeakPolarHBondContact O-CA 3.23Å
138D95.3Very high93Very high9 Ų953.9 Ų53.95%0.04830%0.297CS..EExtended strand (participates in β ladder)trans-81.7115.7164.6-85.6-22.1000108.8N69 G96 M97 R99 F136 T154N69-D138 VanDerWaalsContact CB-OD1 3.32Å; N69-D138 WeakPolarHBondContact CB-OD1 3.35Å; N69-D138 PolarHBondContact ND2-OD1 2.66Å; G96-D138 CarbonylContact C-O 3.53Å; G96-D138 WeakPolarHBondContact CA-O 2.87Å; M97-D138 PolarHBondContact N-O 3.15Å; M97-D138 PolarHBondContact O-N 3.38Å; R99-D138 HydrophobicContact CG-CB 4.37Å; R99-D138 WeakPolarHBondContact CG-OD2 3.43Å; R99-D138 IonicContact NH1-OD2 2.84Å; R99-D138 PolarHBondContact NH1-OD2 3.33Å; F136-D138 VanDerWaalsContact CE1-OD1 3.24Å; F136-D138 WeakPolarHBondContact CE1-OD1 3.5Å; D138-T154 VanDerWaalsContact CB-OG1 3.25Å; D138-T154 WeakPolarHBondContact CB-OG1 3.44Å; D138-T154 PolarHBondContact OD2-OG1 2.86Å
139A95.1Very high92.8Very high3 Ų344.9 Ų44.93%0.02526%0.263CS..EExtended strand (participates in β ladder)trans-63.6141.2177.600000111.4V68 N69 L94 G152V68-A139 HydrophobicContact CG1-CB 4.37Å; N69-A139 VanDerWaalsContact O-CB 3.25Å; N69-A139 WeakPolarHBondContact O-CB 3.3Å; N69-A139 PolarHBondContact O-N 3.09Å; L94-A139 HydrophobicContact CD1-CB 3.91Å; A139-G152 PolarHBondContact O-N 3.33Å
140N93.3Very high92.7Very high35 Ų3543 Ų4319%0.18725%0.254CS..  trans-73.8174177.581.13.3000111.8I95 Q142 S143 G151 G152I95-N140 WeakPolarHBondContact O-CB 3.25Å; I95-N140 VanDerWaalsContact O-CG 3.25Å; I95-N140 PolarHBondContact O-N 3.08Å; N140-Q142 VanDerWaalsContact C-N 3.26Å; N140-Q142 PolarHBondContact ND2-OE1 3.26Å; N140-Q142 VanDerWaalsContact ND2-OE1 3.15Å; N140-Q142 PolarHBondContact O-N 3.27Å; N140-Q142 WeakPolarHBondContact OD1-CA 3.47Å; N140-Q142 WeakPolarHBondContact OD1-CB 3.46Å; N140-Q142 PolarHBondContact OD1-N 2.72Å; N140-S143 PolarHBondContact O-N 3.43Å; N140-S143 PolarHBondContact OD1-N 2.79Å; N140-S143 VanDerWaalsContact OD1-N 3.17Å; N140-S143 PolarHBondContact OD1-OG 3.44Å; N140-G151 WeakPolarHBondContact O-CA 3.15Å; N140-G152 VanDerWaalsContact C-N 3.34Å; N140-G152 PolarHBondContact O-N 3.09Å
141F91.1Very high92.5Very high132 Ų13242.9 Ų42.958%0.57925%0.253SS*.G310 helixtrans-65-27.9-178.9-174.1-103.9000113.4S143 T144 I150F141-S143 PolarHBondContact O-N 3.31Å; F141-T144 WeakPolarHBondContact O-CB 3.29Å; F141-T144 PolarHBondContact O-N 3.3Å; F141-T144 VanDerWaalsContact O-N 3.11Å; F141-T144 PolarHBondContact O-OG1 3.23Å; F141-I150 HydrophobicContact CE2-CG2 4.2Å
142Q89.9Confident92.2Very high157 Ų15741 Ų4173%0.73423%0.233SC*.G310 helixtrans-68.3-23.2179.8-59.6177.8-66.800112.5N140 T144N140-Q142 VanDerWaalsContact C-N 3.26Å; N140-Q142 PolarHBondContact ND2-OE1 3.26Å; N140-Q142 VanDerWaalsContact ND2-OE1 3.15Å; N140-Q142 PolarHBondContact O-N 3.27Å; N140-Q142 WeakPolarHBondContact OD1-CA 3.47Å; N140-Q142 WeakPolarHBondContact OD1-CB 3.46Å; N140-Q142 PolarHBondContact OD1-N 2.72Å; Q142-T144 PolarHBondContact O-N 3.27Å
143S89.5Confident91.8Very high30 Ų3041 Ų4121%0.2123%0.232CC..G310 helixtrans-76.82.7173.7-51.70000113.9L94 N140 F141 V145L94-S143 WeakPolarHBondContact CD1-OG 3.31Å; N140-S143 PolarHBondContact O-N 3.43Å; N140-S143 PolarHBondContact OD1-N 2.79Å; N140-S143 VanDerWaalsContact OD1-N 3.17Å; N140-S143 PolarHBondContact OD1-OG 3.44Å; F141-S143 PolarHBondContact O-N 3.31Å; S143-V145 PolarHBondContact O-N 3.33Å
144T91.7Very high91.1Very high41 Ų4137.2 Ų37.225%0.25222%0.216SC..  trans-66131.1177.7-62.70000111.1F141 Q142 I150 G151F141-T144 WeakPolarHBondContact O-CB 3.29Å; F141-T144 PolarHBondContact O-N 3.3Å; F141-T144 VanDerWaalsContact O-N 3.11Å; F141-T144 PolarHBondContact O-OG1 3.23Å; Q142-T144 PolarHBondContact O-N 3.27Å; T144-I150 HydrophobicContact CG2-CB 4.41Å; T144-I150 HydrophobicContact CG2-CG1 4.39Å; T144-I150 HydrophobicContact CG2-CG2 4.29Å; T144-G151 PolarHBondContact OG1-N 2.8Å
145V87.6Confident89.9Confident28 Ų2843 Ų4317%0.1723%0.233CC..  trans-106.9127.6174.9-1750000110.2K85 I88 S143 G147 G148 P149K85-V145 VanDerWaalsContact O-CG1 3.23Å; K85-V145 WeakPolarHBondContact O-CG1 3.45Å; I88-V145 HydrophobicContact CD1-CG2 3.43Å; I88-V145 VanDerWaalsContact CD1-CG2 3.43Å; I88-V145 HydrophobicContact CG1-CG2 3.83Å; S143-V145 PolarHBondContact O-N 3.33Å; V145-G147 PolarHBondContact O-N 3.31Å; V145-G147 VanDerWaalsContact O-N 3.08Å; V145-G148 WeakPolarHBondContact O-CA 3.48Å; V145-G148 PolarHBondContact O-N 3.09Å; V145-P149 PolarHBondContact N-O 2.97Å
146P86.4Confident88.6Confident112 Ų11245.3 Ų45.373%0.72725%0.249SC*.THydrogen-bonded Turntrans-54.1117.2174.7-27.535.7000112.3G148P146-G148 VanDerWaalsContact C-N 3.32Å
147G84.3Confident87Confident33 Ų3349.5 Ų49.534%0.3427%0.274SS..THydrogen-bonded Turntrans87.9-9.8-177.900000115.3K77 V145K77-G147 PolarHBondContact NZ-O 3.38Å; V145-G147 PolarHBondContact O-N 3.31Å; V145-G147 VanDerWaalsContact O-N 3.08Å
148G90.4Very high85.6Confident7 Ų756.6 Ų56.67%0.07231%0.312CS..SBendtrans-102.3-159.6173.700000113.6V145 P146V145-G148 WeakPolarHBondContact O-CA 3.48Å; V145-G148 PolarHBondContact O-N 3.09Å; P146-G148 VanDerWaalsContact C-N 3.32Å
149P93.4Very high84.3Confident2 Ų266.2 Ų66.21%0.01335%0.347CS..  trans-60.9139.4175-22.234000112.9V53 R70 F72 V73 V145V53-P149 HydrophobicContact CB-CG 4.19Å; V53-P149 HydrophobicContact CG2-CG 4.21Å; R70-P149 HydrophobicContact CB-CB 3.89Å; R70-P149 HydrophobicContact CB-CG 4.11Å; R70-P149 WeakPolarHBondContact O-CB 3.41Å; F72-P149 WeakPolarHBondContact O-CA 3.4Å; V73-P149 HydrophobicContact CG1-CB 4.01Å; V73-P149 HydrophobicContact CG1-CG 3.88Å; V145-P149 PolarHBondContact N-O 2.97Å
150I93.4Very high83.3Confident47 Ų4771.9 Ų71.924%0.24138%0.377CS..BIsolated β-bridgetrans-95.4110.3177.1-56.7172.1000108.4M30 G71 F72 F141 T144 Q153M30-I150 HydrophobicContact SD-CD1 3.84Å; G71-I150 CarbonylContact C-O 3.5Å; G71-I150 WeakPolarHBondContact CA-O 3.38Å; F72-I150 PolarHBondContact N-O 3.02Å; F72-I150 PolarHBondContact O-N 3.37Å; F141-I150 HydrophobicContact CE2-CG2 4.2Å; T144-I150 HydrophobicContact CG2-CB 4.41Å; T144-I150 HydrophobicContact CG2-CG1 4.39Å; T144-I150 HydrophobicContact CG2-CG2 4.29Å; I150-Q153 WeakPolarHBondContact O-CG 3.19Å
151G92.1Very high82.8Confident0 Ų072.8 Ų72.80%038%0.38CS..  trans-72-178.6179.800000113.3N140 T144 Q153N140-G151 WeakPolarHBondContact O-CA 3.15Å; T144-G151 PolarHBondContact OG1-N 2.8Å; G151-Q153 VanDerWaalsContact C-N 3.33Å; G151-Q153 PolarHBondContact O-N 2.96Å; G151-Q153 PolarHBondContact O-NE2 3.22Å
152G88.4Confident82.5Confident23 Ų2372.9 Ų72.924%0.23738%0.382CS..  trans70.227.9177.600000114A139 N140 T154A139-G152 PolarHBondContact O-N 3.33Å; N140-G152 VanDerWaalsContact C-N 3.34Å; N140-G152 PolarHBondContact O-N 3.09Å; G152-T154 PolarHBondContact O-N 3.04Å
153Q86.8Confident82.4Confident8 Ų871.4 Ų71.44%0.03738%0.379CS..  trans-86.39-176.2-61.3-65.8-63.200113.6V31 Y52 F72 I150 G151 R155V31-Q153 PolarHBondContact O-NE2 2.84Å; V31-Q153 VanDerWaalsContact O-NE2 3.08Å; Y52-Q153 HydrophobicContact CD1-CB 4.4Å; Y52-Q153 HydrophobicContact CE1-CB 3.65Å; Y52-Q153 HydrophobicContact CE1-CG 3.96Å; Y52-Q153 PolarHBondContact OH-O 3.29Å; F72-Q153 HydrophobicContact CB-CG 3.8Å; I150-Q153 WeakPolarHBondContact O-CG 3.19Å; G151-Q153 VanDerWaalsContact C-N 3.33Å; G151-Q153 PolarHBondContact O-N 2.96Å; G151-Q153 PolarHBondContact O-NE2 3.22Å; Q153-R155 PolarHBondContact O-N 3.29Å
154T82.3Confident82.3Confident22 Ų2275.6 Ų75.614%0.13540%0.395CS..  trans-67.4102172.8-56.80000109D138 G152 V156D138-T154 VanDerWaalsContact CB-OG1 3.25Å; D138-T154 WeakPolarHBondContact CB-OG1 3.44Å; D138-T154 PolarHBondContact OD2-OG1 2.86Å; G152-T154 PolarHBondContact O-N 3.04Å; T154-V156 HydrophobicContact CG2-CG2 4.21Å; T154-V156 PolarHBondContact O-N 3.45Å
155R70.6Confident82.3Confident161 Ų16179.9 Ų79.961%0.60841%0.407SS*.  trans-70.1112.1177.1-176.8167.4154.4-161.1-7.4110.1V31 E36 Q153 T157V31-R155 HydrophobicContact CG2-CB 4.11Å; E36-R155 WeakPolarHBondContact OE1-CD 3.48Å; E36-R155 IonicContact OE1-NE 3.84Å; Q153-R155 PolarHBondContact O-N 3.29Å; R155-T157 HydrophobicContact CG-CG2 3.79Å
156V67.6Low82.7Confident95 Ų9582.7 Ų82.758%0.57642%0.421SS*.  trans-106.582.7174-175.10000107.8T154 L158T154-V156 HydrophobicContact CG2-CG2 4.21Å; T154-V156 PolarHBondContact O-N 3.45Å; V156-L158 PolarHBondContact O-N 2.84Å
157T62.7Low83.1Confident89 Ų8981.9 Ų81.955%0.54641%0.413SS..  trans-86.7107.1172.649.50000109.9R155R155-T157 HydrophobicContact CG-CG2 3.79Å
158L66.1Low83.7Confident154 Ų15483.4 Ų83.481%0.80642%0.416SS*.  trans-82.9124164.8-63.4176.2000108.3V156 N160V156-L158 PolarHBondContact O-N 2.84Å; L158-N160 PolarHBondContact O-N 3.25Å
159R66.8Low84Confident212 Ų21290.6 Ų90.680%0.844%0.441SS*.  trans-68.1118.4178.5-177.1159.5-176.3-176.4-1.4109.3E161R159-E161 HydrophobicContact CG-CG 3.81Å; R159-E161 IonicContact CZ-OE1 2.81Å; R159-E161 VanDerWaalsContact CZ-OE1 3.23Å; R159-E161 IonicContact NE-OE1 3.96Å; R159-E161 PolarHBondContact NE-OE1 3.46Å; R159-E161 IonicContact NH2-OE1 3.71Å; R159-E161 PolarHBondContact NH2-OE1 3.47Å
160N75.3Confident84.2Confident122 Ų12298.7 Ų98.765%0.65247%0.473SS*.  trans-111.295.1-179.5-175.7-3.8000110.4L158 H162L158-N160 PolarHBondContact O-N 3.25Å; N160-H162 WeakPolarHBondContact OD1-CB 3.5Å; N160-H162 PolarHBondContact OD1-CD2 2.95Å; N160-H162 VanDerWaalsContact OD1-CD2 3.23Å; N160-H162 PolarHBondContact OD1-N 3.35Å
161E82.3Confident84.4Confident54 Ų5498.4 Ų98.425%0.25248%0.481SS..  trans-105.512.8178.3-58.7-70.8-176.700111.6R159 L163 Q164 Y165R159-E161 HydrophobicContact CG-CG 3.81Å; R159-E161 IonicContact CZ-OE1 2.81Å; R159-E161 VanDerWaalsContact CZ-OE1 3.23Å; R159-E161 IonicContact NE-OE1 3.96Å; R159-E161 PolarHBondContact NE-OE1 3.46Å; R159-E161 IonicContact NH2-OE1 3.71Å; R159-E161 PolarHBondContact NH2-OE1 3.47Å; E161-L163 VanDerWaalsContact C-N 3.33Å; E161-L163 PolarHBondContact O-N 3.14Å; E161-Q164 WeakPolarHBondContact O-CB 3.41Å; E161-Q164 PolarHBondContact O-N 3.31Å; E161-Q164 VanDerWaalsContact O-N 3.14Å; E161-Q164 PolarHBondContact OE2-OE1 3Å; E161-Y165 HydrophobicContact CB-CD2 3.86Å; E161-Y165 HydrophobicContact CB-CE2 3.71Å; E161-Y165 WeakPolarHBondContact O-CD2 3.46Å; E161-Y165 PolarHBondContact O-N 2.98Å
162H85.9Confident84.6Confident134 Ų134102.9 Ų102.962%0.6251%0.505SS*.Hα-helixtrans-59.9-41.3-170.9-76.3-75.3000112.5N160 Y165 I166N160-H162 WeakPolarHBondContact OD1-CB 3.5Å; N160-H162 PolarHBondContact OD1-CD2 2.95Å; N160-H162 VanDerWaalsContact OD1-CD2 3.23Å; N160-H162 PolarHBondContact OD1-N 3.35Å; H162-Y165 PolarHBondContact O-N 3.26Å; H162-I166 WeakPolarHBondContact O-CB 3.2Å; H162-I166 WeakPolarHBondContact O-CD1 3.03Å; H162-I166 WeakPolarHBondContact O-CG1 3.29Å; H162-I166 PolarHBondContact O-N 2.9Å
163L87.6Confident85Confident126 Ų126104.8 Ų104.866%0.6651%0.514SS*.Hα-helixtrans-64.6-42.7177.1-178.563.4000111.8E161 Y165 I166 V167E161-L163 VanDerWaalsContact C-N 3.33Å; E161-L163 PolarHBondContact O-N 3.14Å; L163-Y165 VanDerWaalsContact C-N 3.33Å; L163-Y165 PolarHBondContact O-N 2.96Å; L163-I166 PolarHBondContact O-N 3.21Å; L163-V167 HydrophobicContact CD1-CG2 4.46Å; L163-V167 WeakPolarHBondContact O-CG2 3.44Å; L163-V167 PolarHBondContact O-N 3.44Å
164Q86.7Confident85.5Confident118 Ų118107.3 Ų107.355%0.55154%0.537SS*.Hα-helixtrans-58.9-48.1175.6179.7179.2-39.900110.2E161 I166 V167 T168E161-Q164 WeakPolarHBondContact O-CB 3.41Å; E161-Q164 PolarHBondContact O-N 3.31Å; E161-Q164 VanDerWaalsContact O-N 3.14Å; E161-Q164 PolarHBondContact OE2-OE1 3Å; Q164-I166 PolarHBondContact O-N 3.06Å; Q164-V167 PolarHBondContact O-N 2.97Å; Q164-T168 PolarHBondContact O-N 2.96Å; Q164-T168 PolarHBondContact O-OG1 3.04Å; Q164-T168 VanDerWaalsContact O-OG1 3.04Å
165Y91.6Very high86.2Confident130 Ų130108.8 Ų108.851%0.5155%0.551SS.*Hα-helixtrans-60-44.4176.1-77.3-60.5000112.4E161 H162 L163 V167 T168 W169E161-Y165 HydrophobicContact CB-CD2 3.86Å; E161-Y165 HydrophobicContact CB-CE2 3.71Å; E161-Y165 WeakPolarHBondContact O-CD2 3.46Å; E161-Y165 PolarHBondContact O-N 2.98Å; H162-Y165 PolarHBondContact O-N 3.26Å; L163-Y165 VanDerWaalsContact C-N 3.33Å; L163-Y165 PolarHBondContact O-N 2.96Å; Y165-V167 VanDerWaalsContact C-N 3.35Å; Y165-V167 PolarHBondContact O-N 2.85Å; Y165-T168 PolarHBondContact O-N 3.45Å; Y165-W169 AromaticContact CD1-NE1 3.71Å; Y165-W169 WeakPolarHBondContact O-CB 3.45Å; Y165-W169 PolarHBondContact O-N 3.08Å
166I95.9Very high87.5Confident88 Ų88105.1 Ų105.145%0.45155%0.547SS..Hα-helixtrans-55.8-51.5175.4-72.6163.8000109.6H162 L163 Q164 T168 W169 Y170H162-I166 WeakPolarHBondContact O-CB 3.2Å; H162-I166 WeakPolarHBondContact O-CD1 3.03Å; H162-I166 WeakPolarHBondContact O-CG1 3.29Å; H162-I166 PolarHBondContact O-N 2.9Å; L163-I166 PolarHBondContact O-N 3.21Å; Q164-I166 PolarHBondContact O-N 3.06Å; I166-T168 VanDerWaalsContact C-N 3.35Å; I166-T168 PolarHBondContact O-N 2.78Å; I166-W169 PolarHBondContact O-N 2.79Å; I166-Y170 HydrophobicContact CB-CD2 4.42Å; I166-Y170 HydrophobicContact CG2-CD2 3.7Å; I166-Y170 HydrophobicContact CG2-CE2 4.04Å; I166-Y170 WeakPolarHBondContact O-CB 3.34Å; I166-Y170 VanDerWaalsContact O-CD2 3.27Å; I166-Y170 WeakPolarHBondContact O-CD2 3.47Å; I166-Y170 PolarHBondContact O-N 3.39Å
167V95.6Very high88.8Confident94 Ų94104 Ų10457%0.5754%0.544SS*.Hα-helixtrans-60-45.1179.9172.20000111.4L163 Q164 Y165 G171L163-V167 HydrophobicContact CD1-CG2 4.46Å; L163-V167 WeakPolarHBondContact O-CG2 3.44Å; L163-V167 PolarHBondContact O-N 3.44Å; Q164-V167 PolarHBondContact O-N 2.97Å; Y165-V167 VanDerWaalsContact C-N 3.35Å; Y165-V167 PolarHBondContact O-N 2.85Å; V167-G171 WeakPolarHBondContact O-CA 3.35Å; V167-G171 PolarHBondContact O-N 3.5Å
168T96.1Very high90.4Very high65 Ų65106 Ų10640%0.39954%0.542SS..Hα-helixtrans-61.5-51.1178.2-57.90000111.7Q164 Y165 I166 G171 L172Q164-T168 PolarHBondContact O-N 2.96Å; Q164-T168 PolarHBondContact O-OG1 3.04Å; Q164-T168 VanDerWaalsContact O-OG1 3.04Å; Y165-T168 PolarHBondContact O-N 3.45Å; I166-T168 VanDerWaalsContact C-N 3.35Å; I166-T168 PolarHBondContact O-N 2.78Å; T168-G171 PolarHBondContact O-N 3.48Å; T168-L172 HydrophobicContact CG2-CD1 4.11Å; T168-L172 WeakPolarHBondContact O-CB 3.34Å; T168-L172 WeakPolarHBondContact O-CG 3.4Å; T168-L172 PolarHBondContact O-N 2.86Å
169W97.1Very high91.7Very high159 Ų159104 Ų10460%0.60253%0.531SS*.Hα-helixtrans-71.8-42.4-174.2-67.7123.7000113Y165 I166 L172 S173Y165-W169 AromaticContact CD1-NE1 3.71Å; Y165-W169 WeakPolarHBondContact O-CB 3.45Å; Y165-W169 PolarHBondContact O-N 3.08Å; I166-W169 PolarHBondContact O-N 2.79Å; W169-L172 HydrophobicContact CE3-CD1 4.26Å; W169-L172 HydrophobicContact CZ3-CD1 4.35Å; W169-S173 WeakPolarHBondContact O-CB 3.27Å; W169-S173 PolarHBondContact O-N 3.36Å; W169-S173 PolarHBondContact O-OG 3.26Å
170Y96.9Very high93.1Very high171 Ų171101.1 Ų101.167%0.67152%0.52SS*.Hα-helixtrans-71-34.3175.4-78.9-89.3000111.7I166 S173 A174I166-Y170 HydrophobicContact CB-CD2 4.42Å; I166-Y170 HydrophobicContact CG2-CD2 3.7Å; I166-Y170 HydrophobicContact CG2-CE2 4.04Å; I166-Y170 WeakPolarHBondContact O-CB 3.34Å; I166-Y170 VanDerWaalsContact O-CD2 3.27Å; I166-Y170 WeakPolarHBondContact O-CD2 3.47Å; I166-Y170 PolarHBondContact O-N 3.39Å; Y170-S173 PolarHBondContact O-N 3.39Å; Y170-A174 WeakPolarHBondContact O-CB 3.35Å; Y170-A174 PolarHBondContact O-N 2.96Å
171G97.6Very high93.9Very high41 Ų41100.2 Ų100.242%0.42351%0.511SS..Hα-helixtrans-62.3-47.9173.300000112.4V167 T168 S173 A174 A175V167-G171 WeakPolarHBondContact O-CA 3.35Å; V167-G171 PolarHBondContact O-N 3.5Å; T168-G171 PolarHBondContact O-N 3.48Å; G171-S173 PolarHBondContact O-N 2.9Å; G171-A174 PolarHBondContact O-N 2.91Å; G171-A175 WeakPolarHBondContact O-CB 3.42Å; G171-A175 PolarHBondContact O-N 3.34Å
172L97.3Very high94.2Very high94 Ų94103.2 Ų103.249%0.49252%0.523SS..Hα-helixtrans-62.2-42174.6-74.8170.8000111.9T168 W169 A175 T176T168-L172 HydrophobicContact CG2-CD1 4.11Å; T168-L172 WeakPolarHBondContact O-CB 3.34Å; T168-L172 WeakPolarHBondContact O-CG 3.4Å; T168-L172 PolarHBondContact O-N 2.86Å; W169-L172 HydrophobicContact CE3-CD1 4.26Å; W169-L172 HydrophobicContact CZ3-CD1 4.35Å; L172-A175 PolarHBondContact O-N 2.88Å; L172-T176 WeakPolarHBondContact O-CB 3.33Å; L172-T176 WeakPolarHBondContact O-CG2 3.43Å; L172-T176 PolarHBondContact O-N 2.88Å; L172-T176 PolarHBondContact O-OG1 3.46Å
173S97.1Very high94.3Very high63 Ų63103.7 Ų103.744%0.44152%0.523SS..Hα-helixtrans-62.6-42.5176.7-60.90000111.9W169 Y170 G171 T176 S177W169-S173 WeakPolarHBondContact O-CB 3.27Å; W169-S173 PolarHBondContact O-N 3.36Å; W169-S173 PolarHBondContact O-OG 3.26Å; Y170-S173 PolarHBondContact O-N 3.39Å; G171-S173 PolarHBondContact O-N 2.9Å; S173-T176 PolarHBondContact O-OG1 3.01Å; S173-T176 VanDerWaalsContact O-OG1 3.06Å; S173-S177 WeakPolarHBondContact O-CB 3.4Å; S173-S177 PolarHBondContact O-N 3.36Å; S173-S177 PolarHBondContact O-OG 2.91Å
174A97.3Very high94.3Very high62 Ų62103.4 Ų103.451%0.51252%0.517SS..Hα-helixtrans-66.2-44.7177.200000112Y170 G171 S177 Y178Y170-A174 WeakPolarHBondContact O-CB 3.35Å; Y170-A174 PolarHBondContact O-N 2.96Å; G171-A174 PolarHBondContact O-N 2.91Å; A174-S177 PolarHBondContact O-N 2.91Å; A174-Y178 WeakPolarHBondContact O-CB 3.38Å; A174-Y178 PolarHBondContact O-N 3.44Å
175A97Very high93.9Very high53 Ų53102.7 Ų102.744%0.43852%0.517SS..Hα-helixtrans-62.5-46.6178.800000111.9G171 L172 Y178 L179G171-A175 WeakPolarHBondContact O-CB 3.42Å; G171-A175 PolarHBondContact O-N 3.34Å; L172-A175 PolarHBondContact O-N 2.88Å; A175-Y178 PolarHBondContact O-N 3.47Å; A175-L179 WeakPolarHBondContact O-CG 3.44Å; A175-L179 PolarHBondContact O-N 3.41Å
176T96.2Very high92.7Very high83 Ų83104.3 Ų104.351%0.50952%0.522SS..Hα-helixtrans-66.5-41178.1510000112.1L172 S173 Y178 L179 W180L172-T176 WeakPolarHBondContact O-CB 3.33Å; L172-T176 WeakPolarHBondContact O-CG2 3.43Å; L172-T176 PolarHBondContact O-N 2.88Å; L172-T176 PolarHBondContact O-OG1 3.46Å; S173-T176 PolarHBondContact O-OG1 3.01Å; S173-T176 VanDerWaalsContact O-OG1 3.06Å; T176-Y178 VanDerWaalsContact C-N 3.34Å; T176-Y178 PolarHBondContact O-N 2.94Å; T176-L179 PolarHBondContact O-N 3.32Å; T176-W180 WeakPolarHBondContact O-CB 3.34Å; T176-W180 PolarHBondContact O-N 2.95Å
177S95.8Very high91.1Very high73 Ų73103 Ų10351%0.5153%0.529SS..Hα-helixtrans-61.6-40.9174.3-60.60000112S173 A174 W180 F181S173-S177 WeakPolarHBondContact O-CB 3.4Å; S173-S177 PolarHBondContact O-N 3.36Å; S173-S177 PolarHBondContact O-OG 2.91Å; A174-S177 PolarHBondContact O-N 2.91Å; S177-W180 PolarHBondContact O-N 3.34Å; S177-F181 WeakPolarHBondContact O-CB 3.22Å; S177-F181 PolarHBondContact O-N 2.71Å
178Y95.6Very high89.5Confident131 Ų131104.3 Ų104.351%0.51454%0.538SS..Hα-helixtrans-62.7-46.5175.3172.6-98.1000112.2A174 A175 T176 W180 F181 K182A174-Y178 WeakPolarHBondContact O-CB 3.38Å; A174-Y178 PolarHBondContact O-N 3.44Å; A175-Y178 PolarHBondContact O-N 3.47Å; T176-Y178 VanDerWaalsContact C-N 3.34Å; T176-Y178 PolarHBondContact O-N 2.94Å; Y178-W180 VanDerWaalsContact C-N 3.32Å; Y178-W180 PolarHBondContact O-N 3Å; Y178-F181 PolarHBondContact O-N 2.98Å; Y178-K182 WeakPolarHBondContact O-CB 3.36Å; Y178-K182 PolarHBondContact O-N 3.15Å
179L94.7Very high87.7Confident110 Ų110106.8 Ų106.858%0.57656%0.555SS**Hα-helixtrans-61.7-41.9177.3-70175.3000111.6A175 T176 K182 K183A175-L179 WeakPolarHBondContact O-CG 3.44Å; A175-L179 PolarHBondContact O-N 3.41Å; T176-L179 PolarHBondContact O-N 3.32Å; L179-K182 PolarHBondContact O-N 2.95Å; L179-K183 WeakPolarHBondContact O-CB 3.36Å; L179-K183 PolarHBondContact O-N 2.94Å
180W94.4Very high86Confident152 Ų152102.7 Ų102.758%0.57656%0.562SS**Hα-helixtrans-62.3-48.5175.8-178.390.5000111.6T176 S177 Y178 K182 K183 F184 L185T176-W180 WeakPolarHBondContact O-CB 3.34Å; T176-W180 PolarHBondContact O-N 2.95Å; S177-W180 PolarHBondContact O-N 3.34Å; Y178-W180 VanDerWaalsContact C-N 3.32Å; Y178-W180 PolarHBondContact O-N 3Å; W180-K182 VanDerWaalsContact C-N 3.34Å; W180-K182 PolarHBondContact O-N 3.45Å; W180-K183 PolarHBondContact O-N 3.39Å; W180-K183 VanDerWaalsContact O-N 3.15Å; W180-F184 AromaticContact CD1-CD2 3.53Å; W180-F184 AromaticContact CD1-CE2 3.65Å; W180-F184 HydrophobicContact CD2-CD2 4.28Å; W180-F184 AromaticContact CE2-CD2 3.99Å; W180-F184 AromaticContact CG-CD2 4Å; W180-F184 HydrophobicContact CG-CD2 4Å; W180-F184 HydrophobicContact CG-CE2 4.46Å; W180-F184 AromaticContact NE1-CD2 3.5Å; W180-F184 AromaticContact NE1-CE2 3.78Å; W180-F184 WeakPolarHBondContact O-CD2 3.42Å; W180-F184 PolarHBondContact O-N 3.27Å; W180-L185 HydrophobicContact CE3-CD1 4.39Å; W180-L185 HydrophobicContact CH2-CD1 4.14Å; W180-L185 HydrophobicContact CZ3-CD1 3.59Å; W180-L185 HydrophobicContact CZ3-CG 4.4Å
181F92.5Very high83.6Confident103 Ų103104.9 Ų104.945%0.45259%0.593SS.*Hα-helixtrans-58-45.9176.9-178.9-87.5000111.5S177 Y178 K183 L185 R186S177-F181 WeakPolarHBondContact O-CB 3.22Å; S177-F181 PolarHBondContact O-N 2.71Å; Y178-F181 PolarHBondContact O-N 2.98Å; F181-K183 VanDerWaalsContact C-N 3.32Å; F181-K183 PolarHBondContact O-N 2.91Å; F181-L185 HydrophobicContact CD2-CB 4.03Å; F181-L185 HydrophobicContact CD2-CD1 3.25Å; F181-L185 HydrophobicContact CD2-CG 4.26Å; F181-L185 HydrophobicContact CE2-CB 3.99Å; F181-L185 HydrophobicContact CE2-CD1 3.58Å; F181-L185 HydrophobicContact CE2-CG 4.42Å; F181-L185 HydrophobicContact CG-CB 4.37Å; F181-L185 HydrophobicContact CG-CD1 4.11Å; F181-L185 HydrophobicContact CZ-CB 4.32Å; F181-L185 WeakPolarHBondContact O-CA 3.38Å; F181-L185 WeakPolarHBondContact O-CB 3.5Å; F181-L185 PolarHBondContact O-N 3.35Å; F181-R186 HydrophobicContact CE1-CG 4.31Å; F181-R186 PolarHBondContact O-N 3.42Å
182K89.8Confident82.9Confident117 Ų117108.1 Ų108.151%0.50960%0.601SS.*Hα-helixtrans-62.3-38.6177.6-174.7-178.3176-176.70112.2Y178 L179 W180Y178-K182 WeakPolarHBondContact O-CB 3.36Å; Y178-K182 PolarHBondContact O-N 3.15Å; L179-K182 PolarHBondContact O-N 2.95Å; W180-K182 VanDerWaalsContact C-N 3.34Å; W180-K182 PolarHBondContact O-N 3.45Å
183K87.5Confident82.1Confident144 Ų144108.8 Ų108.863%0.62661%0.607SS**Hα-helixtrans-74-39.9-177.3-179172.8176.5178.10113L179 W180 F181L179-K183 WeakPolarHBondContact O-CB 3.36Å; L179-K183 PolarHBondContact O-N 2.94Å; W180-K183 PolarHBondContact O-N 3.39Å; W180-K183 VanDerWaalsContact O-N 3.15Å; F181-K183 VanDerWaalsContact C-N 3.32Å; F181-K183 PolarHBondContact O-N 2.91Å
184F86.9Confident81.3Confident121 Ų121111.4 Ų111.453%0.53162%0.616SS.*Hα-helixtrans-109.7-26-168-67.2-75.5000114.8W180W180-F184 AromaticContact CD1-CD2 3.53Å; W180-F184 AromaticContact CD1-CE2 3.65Å; W180-F184 HydrophobicContact CD2-CD2 4.28Å; W180-F184 AromaticContact CE2-CD2 3.99Å; W180-F184 AromaticContact CG-CD2 4Å; W180-F184 HydrophobicContact CG-CD2 4Å; W180-F184 HydrophobicContact CG-CE2 4.46Å; W180-F184 AromaticContact NE1-CD2 3.5Å; W180-F184 AromaticContact NE1-CE2 3.78Å; W180-F184 WeakPolarHBondContact O-CD2 3.42Å; W180-F184 PolarHBondContact O-N 3.27Å
185L79.1Confident80.3Confident103 Ų103114.3 Ų114.354%0.53962%0.623SS.*THydrogen-bonded Turntrans-106.7-30.6-175.2-68.3164.5000113.1W180 F181 G187W180-L185 HydrophobicContact CE3-CD1 4.39Å; W180-L185 HydrophobicContact CH2-CD1 4.14Å; W180-L185 HydrophobicContact CZ3-CD1 3.59Å; W180-L185 HydrophobicContact CZ3-CG 4.4Å; F181-L185 HydrophobicContact CD2-CB 4.03Å; F181-L185 HydrophobicContact CD2-CD1 3.25Å; F181-L185 HydrophobicContact CD2-CG 4.26Å; F181-L185 HydrophobicContact CE2-CB 3.99Å; F181-L185 HydrophobicContact CE2-CD1 3.58Å; F181-L185 HydrophobicContact CE2-CG 4.42Å; F181-L185 HydrophobicContact CG-CB 4.37Å; F181-L185 HydrophobicContact CG-CD1 4.11Å; F181-L185 HydrophobicContact CZ-CB 4.32Å; F181-L185 WeakPolarHBondContact O-CA 3.38Å; F181-L185 WeakPolarHBondContact O-CB 3.5Å; F181-L185 PolarHBondContact O-N 3.35Å; L185-G187 PolarHBondContact O-N 3.03Å
186R66.9Low79.3Confident164 Ų164118.1 Ų118.162%0.61963%0.634SS**SBendtrans-85.185.1163.3-80.3-177.1165.6-175.9-4107.8F181 T188F181-R186 HydrophobicContact CE1-CG 4.31Å; F181-R186 PolarHBondContact O-N 3.42Å; R186-T188 PolarHBondContact O-N 3.28Å
187G61.6Low78.2Confident59 Ų59120.5 Ų120.561%0.60864%0.642SS**  trans-42.3130.2177.100000111L185 P189L185-G187 PolarHBondContact O-N 3.03Å; G187-P189 VanDerWaalsContact O-CD 3.27Å; G187-P189 WeakPolarHBondContact O-CD 3.27Å; G187-P189 VanDerWaalsContact O-N 3.17Å
188T61.9Low76.9Confident123 Ų123123.9 Ų123.976%0.75565%0.652SS**PPolyproline II helixtrans-58118.8171.9-30.50000106.5R186 G190R186-T188 PolarHBondContact O-N 3.28Å; T188-G190 PolarHBondContact O-N 3.22Å
189P58.4Low75.4Confident117 Ų117123.3 Ų123.376%0.7666%0.663SS**PPolyproline II helixtrans-58.2118164.9-14.328.4000105.3G187 V191G187-P189 VanDerWaalsContact O-CD 3.27Å; G187-P189 WeakPolarHBondContact O-CD 3.27Å; G187-P189 VanDerWaalsContact O-N 3.17Å; P189-V191 PolarHBondContact O-N 3.45Å
190G61.6Low73.8Confident72 Ų72124.4 Ų124.474%0.74267%0.67SS**PPolyproline II helixtrans-52.7137-177.900000110.7T188T188-G190 PolarHBondContact O-N 3.22Å
191V45.5Very low72Confident218 Ų218121.9 Ų121.9100%1.32168%0.678SS**  trans-67.50154.8-179.20000107.7P189P189-V191 PolarHBondContact O-N 3.45Å

Retrieved 191 of 191 residues in 443.4 ms (Link to these results)

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