A0A077ZEF1_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZEF1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 125 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
1M39.7Very low78.9Confident237 Ų237120.4 Ų120.4100%1.16755%0.551SS**  0106.80-155.9170.9-17200106.4K3M1-K3 PolarHBondContact O-N 3.47Å; M1-K3 VanDerWaalsContact O-N 3.08Å
2F45.6Very low80.3Confident209 Ų209127.1 Ų127.192%0.91757%0.568SS**  trans-63111.7174.5-84-91.9000106.9M4F2-M4 PolarHBondContact O-N 2.88Å
3K53.6Low81.6Confident204 Ų204125.2 Ų125.289%0.88755%0.554SS**  trans-68.7101.4172.2-100-177.6171.1-177.50106.3M1 R5M1-K3 PolarHBondContact O-N 3.47Å; M1-K3 VanDerWaalsContact O-N 3.08Å; K3-R5 PolarHBondContact O-N 3.46Å
4M69.3Low82.7Confident116 Ų116116.4 Ų116.457%0.57152%0.515SS*.  trans-50.3135.4164.6-78.4-178.4169.500107.8F2 Q6F2-M4 PolarHBondContact O-N 2.88Å; M4-Q6 PolarHBondContact O-N 2.86Å
5R89.1Confident83.6Confident204 Ų204110.2 Ų110.277%0.7749%0.487SS*.  trans-62.8134.8179.6-70.3-178.7177.51801.3108.2K3 S78 L79K3-R5 PolarHBondContact O-N 3.46Å; R5-S78 CarbonylContact O-C 3.53Å; R5-L79 HydrophobicContact CB-CB 4.29Å; R5-L79 HydrophobicContact CB-CD1 4.03Å; R5-L79 HydrophobicContact CB-CG 4.43Å; R5-L79 WeakPolarHBondContact O-CB 3.2Å; R5-L79 PolarHBondContact O-N 3.01Å
6Q92.7Very high84.5Confident104 Ų104103.3 Ų103.349%0.48646%0.456SS..EExtended strand (participates in β ladder)trans-113.7146.8179-67.1-176.3-13.700111.2M4 D40 R76 C77M4-Q6 PolarHBondContact O-N 2.86Å; Q6-D40 PolarHBondContact NE2-O 3.04Å; Q6-R76 HydrophobicContact CB-CG 4.39Å; Q6-C77 CarbonylContact C-O 3.46Å; Q6-C77 WeakPolarHBondContact CA-O 3.36Å
7K93.3Very high85.3Confident87 Ų8797.4 Ų97.438%0.37843%0.43SS..EExtended strand (participates in β ladder)trans-148142.6-179.7-173.4170.4-178.9174.60110.2V9 F53 C77K7-V9 HydrophobicContact CB-CG2 4.38Å; K7-V9 HydrophobicContact CG-CG2 4.31Å; K7-F53 HydrophobicContact CD-CZ 4.35Å; K7-C77 PolarHBondContact N-O 3.38Å; K7-C77 PolarHBondContact O-N 2.9Å
8E95.7Very high86Confident109 Ų10994.4 Ų94.451%0.50942%0.419SS..EExtended strand (participates in β ladder)trans-78.6123.4167.8-171.7174.517000109.1S74 L75 R76E8-S74 WeakPolarHBondContact OE1-CB 3.3Å; E8-S74 PolarHBondContact OE1-OG 3.36Å; E8-L75 WeakPolarHBondContact CA-O 3.5Å; E8-R76 IonicContact OE2-NH2 3.92Å
9V95.7Very high86.5Confident2 Ų291 Ų911%0.01241%0.407CS..EExtended strand (participates in β ladder)trans-122.3127.8-175.8-174.80000108.7K7 T11 R13 I14 F53 S74 L75 C77K7-V9 HydrophobicContact CB-CG2 4.38Å; K7-V9 HydrophobicContact CG-CG2 4.31Å; V9-T11 PolarHBondContact O-N 3.33Å; V9-R13 HydrophobicContact CG1-CB 4.28Å; V9-I14 HydrophobicContact CB-CD1 4.23Å; V9-I14 HydrophobicContact CB-CG1 4.29Å; V9-I14 HydrophobicContact CG1-CD1 4.04Å; V9-I14 HydrophobicContact CG1-CG1 3.56Å; V9-F53 HydrophobicContact CG1-CB 4.47Å; V9-F53 HydrophobicContact CG1-CD2 3.37Å; V9-F53 HydrophobicContact CG1-CE2 3.7Å; V9-F53 HydrophobicContact CG1-CG 4Å; V9-F53 HydrophobicContact CG2-CD2 4.36Å; V9-F53 HydrophobicContact CG2-CE1 4.49Å; V9-F53 HydrophobicContact CG2-CE2 4.26Å; V9-F53 HydrophobicContact CG2-CZ 4.34Å; V9-S74 CarbonylContact O-C 3.43Å; V9-S74 WeakPolarHBondContact O-CA 3.09Å; V9-S74 WeakPolarHBondContact O-CB 3.46Å; V9-L75 PolarHBondContact N-O 2.74Å; V9-L75 PolarHBondContact O-N 3.08Å; V9-C77 HydrophobicContact CG2-CB 4.14Å
10S96.5Very high87Confident45 Ų4590.9 Ų90.932%0.31541%0.407SS..EExtended strand (participates in β ladder)trans-61.6134.6172.5176.70000109.7R12 R13 P73S10-R12 PolarHBondContact O-N 2.61Å; S10-R12 PolarHBondContact OG-N 2.64Å; S10-R13 PolarHBondContact O-N 2.92Å; S10-P73 WeakPolarHBondContact CA-O 3.34Å; S10-P73 PolarHBondContact OG-O 2.9Å
11T96.7Very high87.5Confident7 Ų786.6 Ų86.64%0.04339%0.388CS..G310 helixtrans-58.6-22.3177.157.30000112.2V9 R13 I14 K72 P73 L75 R120V9-T11 PolarHBondContact O-N 3.33Å; T11-R13 VanDerWaalsContact C-N 3.29Å; T11-R13 PolarHBondContact O-N 2.96Å; T11-I14 PolarHBondContact O-N 3.28Å; T11-K72 WeakPolarHBondContact CG2-O 3.2Å; T11-K72 PolarHBondContact OG1-O 3.46Å; T11-P73 PolarHBondContact N-O 3.24Å; T11-P73 PolarHBondContact OG1-O 3.13Å; T11-L75 HydrophobicContact CG2-CD1 4.29Å; T11-L75 HydrophobicContact CG2-CG 4.13Å; T11-R120 PolarHBondContact O-NH1 3.46Å
12R96.2Very high90.3Very high201 Ų20177.1 Ų77.176%0.75834%0.343SS*.G310 helixtrans-69.8-23.1174.1-63.1-177.2-179.3179.50.7114.1S10S10-R12 PolarHBondContact O-N 2.61Å; S10-R12 PolarHBondContact OG-N 2.64Å
13R96.6Very high92.8Very high102 Ų10267.2 Ų67.239%0.38530%0.299SS..G310 helixtrans-96.4-0.1178.2-65.2-172.663.5-163-4.7112.3V9 S10 T11 L51 Q52 F53V9-R13 HydrophobicContact CG1-CB 4.28Å; S10-R13 PolarHBondContact O-N 2.92Å; T11-R13 VanDerWaalsContact C-N 3.29Å; T11-R13 PolarHBondContact O-N 2.96Å; R13-L51 PolarHBondContact NE-O 3.36Å; R13-L51 PolarHBondContact NH2-O 3.46Å; R13-L51 VanDerWaalsContact NH2-O 3.08Å; R13-Q52 CarbonylContact O-C 3.58Å; R13-Q52 WeakPolarHBondContact O-CA 3.33Å; R13-F53 HydrophobicContact CB-CD2 4.19Å; R13-F53 PolarHBondContact O-N 3.44Å
14I97.4Very high94.8Very high2 Ų260 Ų601%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-97.1135.1177.3-58.2174.8000108.1V9 T11 V45 F53 L55 F64 L75V9-I14 HydrophobicContact CB-CD1 4.23Å; V9-I14 HydrophobicContact CB-CG1 4.29Å; V9-I14 HydrophobicContact CG1-CD1 4.04Å; V9-I14 HydrophobicContact CG1-CG1 3.56Å; T11-I14 PolarHBondContact O-N 3.28Å; I14-V45 HydrophobicContact CG2-CG1 4.43Å; I14-F53 WeakPolarHBondContact CA-O 3.18Å; I14-L55 HydrophobicContact CG2-CD1 3.73Å; I14-L55 HydrophobicContact CG2-CD2 3.82Å; I14-L55 HydrophobicContact CG2-CG 3.51Å; I14-F64 HydrophobicContact CB-CD2 4.05Å; I14-F64 HydrophobicContact CB-CE2 3.64Å; I14-F64 HydrophobicContact CB-CZ 4.2Å; I14-F64 HydrophobicContact CD1-CD2 4.23Å; I14-F64 HydrophobicContact CD1-CE2 4.42Å; I14-F64 HydrophobicContact CG2-CD2 3.76Å; I14-F64 HydrophobicContact CG2-CE2 3.75Å; I14-F64 HydrophobicContact CG2-CG 4.22Å; I14-F64 HydrophobicContact CG2-CZ 4.18Å; I14-L75 HydrophobicContact CD1-CD1 4.37Å
15R96.6Very high96.1Very high24 Ų2457.6 Ų57.69%0.09126%0.262CS..EExtended strand (participates in β ladder)trans-124.3136.7174.372.8-178.7-161.193.9-4.1111.6Q52 F53 Q54 L55 D86 Y122R15-Q52 HydrophobicContact CG-CB 4.23Å; R15-F53 PolarHBondContact N-O 2.9Å; R15-Q54 HydrophobicContact CG-CG 4.45Å; R15-L55 PolarHBondContact O-N 3.38Å; R15-D86 IonicContact CZ-OD2 3.04Å; R15-D86 IonicContact NH1-OD1 3.81Å; R15-D86 IonicContact NH1-OD2 2.64Å; R15-D86 PolarHBondContact NH1-OD2 3.3Å; R15-D86 IonicContact NH2-OD2 2.61Å; R15-D86 PolarHBondContact NH2-OD2 3.33Å; R15-Y122 WeakPolarHBondContact CB-OH 3.28Å
16P98Very high96.5Very high0 Ų047.9 Ų47.90%023%0.226CC..  trans-66.5155.4168.527.3-35.2000112.1L55 Y65 L88 Y122P16-L55 HydrophobicContact CB-CD1 4.31Å; P16-Y65 HydrophobicContact CB-CE1 4.19Å; P16-Y65 VanDerWaalsContact CB-OH 3.22Å; P16-Y65 WeakPolarHBondContact CB-OH 3.45Å; P16-Y65 HydrophobicContact CG-CE1 4.29Å; P16-L88 HydrophobicContact CB-CD2 3.9Å; P16-L88 HydrophobicContact CG-CD2 3.6Å; P16-Y122 WeakPolarHBondContact CD-OH 3.48Å; P16-Y122 HydrophobicContact CG-CE1 3.99Å; P16-Y122 HydrophobicContact CG-CE2 4.39Å
17T97.7Very high96.8Very high2 Ų245.2 Ų45.21%0.01221%0.214CC..  trans-123.6-15.3176.553.80000112.4Q54 L55 H61 P84 D86 I87 L88T17-Q54 HydrophobicContact CG2-CB 3.85Å; T17-L55 PolarHBondContact OG1-O 3.31Å; T17-H61 PolarHBondContact N-NE2 3.33Å; T17-H61 PolarHBondContact OG1-CE1 3.01Å; T17-H61 PolarHBondContact OG1-NE2 3.37Å; T17-P84 HydrophobicContact CG2-CB 4.47Å; T17-P84 HydrophobicContact CG2-CG 3.91Å; T17-D86 WeakPolarHBondContact CA-OD1 3.4Å; T17-D86 HydrophobicContact CG2-CB 4.33Å; T17-I87 PolarHBondContact O-N 3.12Å; T17-I87 VanDerWaalsContact O-N 3.08Å; T17-L88 WeakPolarHBondContact O-CB 3.44Å; T17-L88 PolarHBondContact O-N 2.88Å
18L97.5Very high97Very high45 Ų4545.7 Ų45.724%0.23622%0.217CC..  trans-99.7140.3174.8-60.3179.6000111.2Q58 H61 I87L18-Q58 HydrophobicContact CD1-CB 4.22Å; L18-H61 PolarHBondContact N-NE2 3Å; L18-I87 HydrophobicContact CD2-CD1 4.01Å
19P96.4Very high97Very high29 Ų2941.7 Ų41.719%0.18820%0.2CC..  trans-81.2-15.6-175.433-37.2000114.4I87 L88 L95 H96P19-I87 HydrophobicContact CG-CG2 4.02Å; P19-L88 HydrophobicContact CB-CD1 4.33Å; P19-L95 CarbonylContact O-C 3.46Å; P19-L95 VanDerWaalsContact O-CA 3.3Å; P19-L95 WeakPolarHBondContact O-CA 3.49Å; P19-H96 PolarHBondContact O-N 3.45Å
20E96.6Very high97.1Very high88 Ų8843 Ų4341%0.41121%0.207SC..EExtended strand (participates in β ladder)trans-98.8135.5-172.2-167.9-178.1169.600112.6S98E20-S98 WeakPolarHBondContact OE1-CB 3.23Å; E20-S98 PolarHBondContact OE1-OG 3.34Å
21I97.3Very high97.1Very high2 Ų249.8 Ų49.81%0.0123%0.231CC..EExtended strand (participates in β ladder)trans-114.9108.7167.3-52.5-175.6000108.2V23 L26 Y65 L95 H96 S98 L113 L117I21-V23 PolarHBondContact O-N 3.34Å; I21-L26 HydrophobicContact CG2-CD2 4.39Å; I21-Y65 HydrophobicContact CB-CE2 4.36Å; I21-Y65 HydrophobicContact CD1-CD2 4.44Å; I21-Y65 HydrophobicContact CD1-CE1 4.31Å; I21-Y65 HydrophobicContact CD1-CE2 4.14Å; I21-Y65 HydrophobicContact CG1-CD2 4.17Å; I21-Y65 HydrophobicContact CG1-CE2 3.64Å; I21-Y65 HydrophobicContact CG2-CD2 4.05Å; I21-Y65 HydrophobicContact CG2-CE2 4.32Å; I21-L95 HydrophobicContact CD1-CB 4.32Å; I21-L95 HydrophobicContact CD1-CD1 4.15Å; I21-L95 HydrophobicContact CD1-CD2 4.37Å; I21-L95 HydrophobicContact CG1-CD2 4.36Å; I21-H96 PolarHBondContact N-O 3.23Å; I21-S98 PolarHBondContact O-N 3.05Å; I21-S98 PolarHBondContact O-OG 2.79Å; I21-L113 HydrophobicContact CD1-CD2 4.03Å; I21-L113 HydrophobicContact CG2-CD2 4.03Å; I21-L117 HydrophobicContact CD1-CD1 4.08Å
22N97.5Very high97Very high38 Ų3853.9 Ų53.920%0.20325%0.25CC..EExtended strand (participates in β ladder)trans-84.7109.4176.3-174.5-64.9000110P24 L25 L26 S98N22-P24 WeakPolarHBondContact OD1-CD 3.29Å; N22-L25 HydrophobicContact CB-CB 4.21Å; N22-L25 HydrophobicContact CB-CD1 4.02Å; N22-L25 HydrophobicContact CB-CG 4.33Å; N22-L25 PolarHBondContact O-N 2.89Å; N22-L25 WeakPolarHBondContact OD1-CG 3.45Å; N22-L25 PolarHBondContact OD1-N 3.28Å; N22-L26 PolarHBondContact O-N 3.32Å; N22-S98 WeakPolarHBondContact CA-OG 3.34Å
23V97.8Very high96.9Very high1 Ų146.8 Ų46.81%0.00622%0.223CC..Hα-helixtrans-63.2-46.1-175.5175.80000112.6I21 L25 L26 M27 I97 S98 Y100 E106 V110I21-V23 PolarHBondContact O-N 3.34Å; V23-L25 VanDerWaalsContact C-N 3.31Å; V23-L25 PolarHBondContact O-N 2.72Å; V23-L26 WeakPolarHBondContact O-CB 3.48Å; V23-L26 PolarHBondContact O-N 3.39Å; V23-L26 VanDerWaalsContact O-N 3.15Å; V23-M27 HydrophobicContact CG1-CG 4Å; V23-M27 VanDerWaalsContact O-CG 3.28Å; V23-M27 WeakPolarHBondContact O-CG 3.26Å; V23-M27 PolarHBondContact O-N 3.01Å; V23-I97 HydrophobicContact CG2-CG2 3.35Å; V23-S98 PolarHBondContact N-O 3.43Å; V23-Y100 HydrophobicContact CG1-CD2 4.33Å; V23-Y100 HydrophobicContact CG2-CD2 4.46Å; V23-E106 HydrophobicContact CG1-CB 4.32Å; V23-E106 HydrophobicContact CG1-CG 3.9Å; V23-V110 HydrophobicContact CG1-CG2 4.46Å; V23-V110 HydrophobicContact CG2-CG2 3.98Å
24P97.4Very high96.7Very high53 Ų5348.1 Ų48.134%0.34423%0.228SC..Hα-helixtrans-52.9-45.7175.1-29.934.6000113.9N22 M27 E28N22-P24 WeakPolarHBondContact OD1-CD 3.29Å; P24-M27 PolarHBondContact O-N 3.41Å; P24-E28 PolarHBondContact O-N 2.94Å
25L96.6Very high96.4Very high65 Ų6553.4 Ų53.434%0.3426%0.256SS..Hα-helixtrans-68.5-37.9178.1-70.3176.2000112.3N22 V23 E28 T29N22-L25 HydrophobicContact CB-CB 4.21Å; N22-L25 HydrophobicContact CB-CD1 4.02Å; N22-L25 HydrophobicContact CB-CG 4.33Å; N22-L25 PolarHBondContact O-N 2.89Å; N22-L25 WeakPolarHBondContact OD1-CG 3.45Å; N22-L25 PolarHBondContact OD1-N 3.28Å; V23-L25 VanDerWaalsContact C-N 3.31Å; V23-L25 PolarHBondContact O-N 2.72Å; L25-E28 PolarHBondContact O-N 2.87Å; L25-T29 WeakPolarHBondContact O-CB 3.44Å; L25-T29 PolarHBondContact O-N 2.81Å; L25-T29 PolarHBondContact O-OG1 2.9Å
26L97.5Very high96.1Very high0 Ų056.5 Ų56.50%027%0.272CS..Hα-helixtrans-60-48.7172.7173.661.4000111.1I21 N22 V23 E28 T29 L30 A66 V109 L113I21-L26 HydrophobicContact CG2-CD2 4.39Å; N22-L26 PolarHBondContact O-N 3.32Å; V23-L26 WeakPolarHBondContact O-CB 3.48Å; V23-L26 PolarHBondContact O-N 3.39Å; V23-L26 VanDerWaalsContact O-N 3.15Å; L26-E28 VanDerWaalsContact C-N 3.33Å; L26-E28 PolarHBondContact O-N 3.47Å; L26-T29 PolarHBondContact O-N 2.85Å; L26-L30 HydrophobicContact CD1-CD1 4.13Å; L26-L30 HydrophobicContact CD1-CG 4.26Å; L26-L30 HydrophobicContact CG-CD1 4.1Å; L26-L30 WeakPolarHBondContact O-CG 3.41Å; L26-L30 PolarHBondContact O-N 3.33Å; L26-A66 HydrophobicContact CD1-CB 4Å; L26-V109 HydrophobicContact CD2-CG1 3.73Å; L26-V109 HydrophobicContact CG-CG1 4.16Å; L26-L113 HydrophobicContact CD2-CD2 3.63Å
27M97.9Very high95.7Very high47 Ų4757.9 Ų57.923%0.23228%0.278CS..Hα-helixtrans-62.2-41.3179.5-66.3-58.4-73.300111.5V23 P24 L30 K31 D105 E106 V109V23-M27 HydrophobicContact CG1-CG 4Å; V23-M27 VanDerWaalsContact O-CG 3.28Å; V23-M27 WeakPolarHBondContact O-CG 3.26Å; V23-M27 PolarHBondContact O-N 3.01Å; P24-M27 PolarHBondContact O-N 3.41Å; M27-L30 PolarHBondContact O-N 2.97Å; M27-L30 HydrophobicContact SD-CD1 4.48Å; M27-K31 WeakPolarHBondContact O-CB 3.45Å; M27-K31 PolarHBondContact O-N 2.78Å; M27-D105 HydrophobicContact CE-CB 3.99Å; M27-E106 HydrophobicContact CE-CG 4.14Å; M27-E106 HydrophobicContact CG-CG 4.05Å; M27-E106 HydrophobicContact SD-CG 4.17Å; M27-V109 HydrophobicContact CE-CG2 4.22Å; M27-V109 HydrophobicContact SD-CB 3.88Å; M27-V109 HydrophobicContact SD-CG1 3.86Å; M27-V109 HydrophobicContact SD-CG2 3.78Å
28E96.9Very high95.2Very high98 Ų9860.4 Ų60.446%0.45829%0.289SS..Hα-helixtrans-63.4-44.8174.8-177.3171-159.200111.8P24 L25 L26 L30 K31 Q32P24-E28 PolarHBondContact O-N 2.94Å; L25-E28 PolarHBondContact O-N 2.87Å; L26-E28 VanDerWaalsContact C-N 3.33Å; L26-E28 PolarHBondContact O-N 3.47Å; E28-L30 VanDerWaalsContact C-N 3.32Å; E28-L30 PolarHBondContact O-N 3.18Å; E28-K31 PolarHBondContact O-N 2.82Å; E28-Q32 HydrophobicContact CG-CG 4.43Å; E28-Q32 WeakPolarHBondContact O-CB 3.38Å; E28-Q32 WeakPolarHBondContact O-CG 3.11Å; E28-Q32 PolarHBondContact O-N 3Å; E28-Q32 PolarHBondContact OE1-NE2 2.88Å; E28-Q32 VanDerWaalsContact OE1-NE2 3.16Å
29T96.5Very high94.6Very high24 Ų2464.2 Ų64.215%0.14731%0.306CS..Hα-helixtrans-62.2-39.9179.1-55.80000111.5L25 L26 Q32 W33 F37 I63 A66L25-T29 WeakPolarHBondContact O-CB 3.44Å; L25-T29 PolarHBondContact O-N 2.81Å; L25-T29 PolarHBondContact O-OG1 2.9Å; L26-T29 PolarHBondContact O-N 2.85Å; T29-Q32 CarbonylContact O-C 3.45Å; T29-W33 WeakPolarHBondContact O-CA 3.38Å; T29-W33 PolarHBondContact O-N 3.39Å; T29-F37 HydrophobicContact CG2-CE2 4.32Å; T29-I63 HydrophobicContact CG2-CG1 4.27Å; T29-A66 HydrophobicContact CG2-CB 3.71Å
30L96.9Very high94.3Very high30 Ų3067.1 Ų67.116%0.15732%0.32CS..Hα-helixtrans-64.5-46.8174.6-74.1168.6000111.7L26 M27 E28 Q32 W33 A66 V69 L70 V109L26-L30 HydrophobicContact CD1-CD1 4.13Å; L26-L30 HydrophobicContact CD1-CG 4.26Å; L26-L30 HydrophobicContact CG-CD1 4.1Å; L26-L30 WeakPolarHBondContact O-CG 3.41Å; L26-L30 PolarHBondContact O-N 3.33Å; M27-L30 PolarHBondContact O-N 2.97Å; M27-L30 HydrophobicContact SD-CD1 4.48Å; E28-L30 VanDerWaalsContact C-N 3.32Å; E28-L30 PolarHBondContact O-N 3.18Å; L30-Q32 VanDerWaalsContact C-N 3.26Å; L30-Q32 PolarHBondContact O-N 2.89Å; L30-W33 PolarHBondContact O-N 2.97Å; L30-A66 HydrophobicContact CD2-CB 3.75Å; L30-A66 HydrophobicContact CG-CB 4Å; L30-V69 HydrophobicContact CD1-CB 4.49Å; L30-V69 HydrophobicContact CD1-CG1 4.08Å; L30-V69 HydrophobicContact CD2-CB 4.09Å; L30-V69 HydrophobicContact CD2-CG1 4.06Å; L30-L70 HydrophobicContact CD2-CD1 3.95Å; L30-L70 HydrophobicContact CD2-CD2 4.01Å; L30-L70 HydrophobicContact CD2-CG 3.63Å; L30-V109 HydrophobicContact CD1-CB 4.39Å; L30-V109 HydrophobicContact CD1-CG1 3.54Å; L30-V109 HydrophobicContact CD1-CG2 3.87Å
31K96.2Very high93.9Very high188 Ų18863.1 Ų63.182%0.81730%0.302SS*.Hα-helixtrans-64.2-33179.8-175.6177179.8179.70112.4M27 E28M27-K31 WeakPolarHBondContact O-CB 3.45Å; M27-K31 PolarHBondContact O-N 2.78Å; E28-K31 PolarHBondContact O-N 2.82Å
32Q94.8Very high93.7Very high93 Ų9365 Ų6544%0.43532%0.315SS..THydrogen-bonded Turntrans-107.126-177.7-58.8-177.511.800112.3E28 T29 L30 R34E28-Q32 HydrophobicContact CG-CG 4.43Å; E28-Q32 WeakPolarHBondContact O-CB 3.38Å; E28-Q32 WeakPolarHBondContact O-CG 3.11Å; E28-Q32 PolarHBondContact O-N 3Å; E28-Q32 PolarHBondContact OE1-NE2 2.88Å; E28-Q32 VanDerWaalsContact OE1-NE2 3.16Å; T29-Q32 CarbonylContact O-C 3.45Å; L30-Q32 VanDerWaalsContact C-N 3.26Å; L30-Q32 PolarHBondContact O-N 2.89Å; Q32-R34 WeakPolarHBondContact O-CG 3.35Å; Q32-R34 PolarHBondContact O-N 2.78Å
33W95.7Very high93.6Very high51 Ų5163.2 Ų63.219%0.19331%0.305CS..  trans-55.6127.6-179.6-173.1-95.1000111T29 L30 F37 E38 I63 A66 A67 L70 K72 L75T29-W33 WeakPolarHBondContact O-CA 3.38Å; T29-W33 PolarHBondContact O-N 3.39Å; L30-W33 PolarHBondContact O-N 2.97Å; W33-F37 HydrophobicContact CD2-CD2 4.04Å; W33-F37 AromaticContact CE3-CD2 3.77Å; W33-F37 HydrophobicContact CE3-CD2 3.77Å; W33-F37 HydrophobicContact CE3-CE2 4.48Å; W33-F37 HydrophobicContact CH2-CB 4Å; W33-F37 HydrophobicContact CH2-CD2 4.47Å; W33-F37 HydrophobicContact CZ2-CB 4.07Å; W33-F37 HydrophobicContact CZ3-CB 4.33Å; W33-F37 AromaticContact CZ3-CD2 3.99Å; W33-F37 HydrophobicContact CZ3-CD2 3.99Å; W33-E38 HydrophobicContact CZ2-CG 3.64Å; W33-E38 PolarHBondContact NE1-OE1 3.38Å; W33-I63 HydrophobicContact CH2-CG2 4Å; W33-I63 HydrophobicContact CZ3-CG2 3.98Å; W33-A66 HydrophobicContact CE3-CB 3.98Å; W33-A66 HydrophobicContact CZ3-CB 3.74Å; W33-A67 HydrophobicContact CH2-CB 3.76Å; W33-A67 HydrophobicContact CZ3-CB 4.38Å; W33-L70 HydrophobicContact CB-CD1 4.08Å; W33-L70 HydrophobicContact CD2-CD1 3.35Å; W33-L70 HydrophobicContact CE3-CD1 3.59Å; W33-L70 HydrophobicContact CG-CD1 3.58Å; W33-L70 HydrophobicContact CZ2-CD1 4.46Å; W33-L70 HydrophobicContact CZ3-CD1 4.25Å; W33-K72 HydrophobicContact CZ2-CG 4.22Å; W33-L75 HydrophobicContact CH2-CD2 4.33Å
34R92.6Very high93.6Very high131 Ų13164.9 Ų64.949%0.49432%0.315SS..  trans-119.6149.8-178.5-52.9-171.2-178.4-169.7-0.1110.6Q32 E36 F37Q32-R34 WeakPolarHBondContact O-CG 3.35Å; Q32-R34 PolarHBondContact O-N 2.78Å; R34-E36 HydrophobicContact CB-CB 4.4Å; R34-E36 PolarHBondContact O-N 3.22Å; R34-F37 HydrophobicContact CB-CD2 4.36Å; R34-F37 HydrophobicContact CB-CE2 4.33Å; R34-F37 HydrophobicContact CG-CE2 4.3Å; R34-F37 HydrophobicContact CG-CZ 4.32Å; R34-F37 WeakPolarHBondContact O-CB 3.36Å; R34-F37 PolarHBondContact O-N 3.15Å
35N90.2Very high93.6Very high112 Ų11262.3 Ų62.360%0.59930%0.299SS*.THydrogen-bonded Turntrans-59-30.8174.7-65.4-7.2000112.4F37 E38 E39N35-F37 PolarHBondContact O-N 2.87Å; N35-F37 VanDerWaalsContact O-N 3.16Å; N35-E38 WeakPolarHBondContact O-CA 3.35Å; N35-E38 WeakPolarHBondContact O-CB 3.17Å; N35-E38 PolarHBondContact O-N 3.4Å; N35-E39 PolarHBondContact O-N 3.14Å
36E89.5Confident93.6Very high90 Ų9061.1 Ų61.142%0.42129%0.291SS..Hα-helixtrans-54.3-33.9175.9-61.1166-179.200112R34 E38 E39 D40 C42R34-E36 HydrophobicContact CB-CB 4.4Å; R34-E36 PolarHBondContact O-N 3.22Å; E36-E38 PolarHBondContact O-N 3.08Å; E36-E39 PolarHBondContact O-N 2.78Å; E36-D40 HydrophobicContact CB-CB 4.45Å; E36-D40 WeakPolarHBondContact O-CB 3.39Å; E36-D40 PolarHBondContact O-N 2.76Å; E36-C42 PolarHBondContact O-SG 3.05Å; E36-C42 VanDerWaalsContact O-SG 3.39Å
37F89.7Confident93.5Very high29 Ų2964 Ų6413%0.12731%0.307CS..Hα-helixtrans-66.6-24.7177.4-60.2-23.1000113.2T29 W33 R34 N35 C42 I63T29-F37 HydrophobicContact CG2-CE2 4.32Å; W33-F37 HydrophobicContact CD2-CD2 4.04Å; W33-F37 AromaticContact CE3-CD2 3.77Å; W33-F37 HydrophobicContact CE3-CD2 3.77Å; W33-F37 HydrophobicContact CE3-CE2 4.48Å; W33-F37 HydrophobicContact CH2-CB 4Å; W33-F37 HydrophobicContact CH2-CD2 4.47Å; W33-F37 HydrophobicContact CZ2-CB 4.07Å; W33-F37 HydrophobicContact CZ3-CB 4.33Å; W33-F37 AromaticContact CZ3-CD2 3.99Å; W33-F37 HydrophobicContact CZ3-CD2 3.99Å; R34-F37 HydrophobicContact CB-CD2 4.36Å; R34-F37 HydrophobicContact CB-CE2 4.33Å; R34-F37 HydrophobicContact CG-CE2 4.3Å; R34-F37 HydrophobicContact CG-CZ 4.32Å; R34-F37 WeakPolarHBondContact O-CB 3.36Å; R34-F37 PolarHBondContact O-N 3.15Å; N35-F37 PolarHBondContact O-N 2.87Å; N35-F37 VanDerWaalsContact O-N 3.16Å; F37-C42 HydrophobicContact CD1-CB 4.24Å; F37-I63 HydrophobicContact CB-CG2 3.83Å; F37-I63 HydrophobicContact CD1-CD1 3.81Å; F37-I63 HydrophobicContact CD1-CG1 4.41Å; F37-I63 HydrophobicContact CD2-CG2 4.46Å; F37-I63 HydrophobicContact CE1-CD1 3.98Å; F37-I63 HydrophobicContact CG-CD1 4.28Å; F37-I63 HydrophobicContact CG-CG1 4.46Å; F37-I63 HydrophobicContact CG-CG2 4.08Å
38E86.9Confident93.1Very high54 Ų5464.3 Ų64.325%0.25231%0.309SS..Hα-helixtrans-92.7-33.8177.9-63.7-179.6-127.100111.8W33 N35 E36 K72 L75 R76W33-E38 HydrophobicContact CZ2-CG 3.64Å; W33-E38 PolarHBondContact NE1-OE1 3.38Å; N35-E38 WeakPolarHBondContact O-CA 3.35Å; N35-E38 WeakPolarHBondContact O-CB 3.17Å; N35-E38 PolarHBondContact O-N 3.4Å; E36-E38 PolarHBondContact O-N 3.08Å; E38-K72 VanDerWaalsContact OE1-CE 3.25Å; E38-K72 WeakPolarHBondContact OE1-CE 3.39Å; E38-K72 IonicContact OE1-NZ 3.15Å; E38-K72 PolarHBondContact OE1-NZ 3.48Å; E38-K72 IonicContact OE2-NZ 3.89Å; E38-K72 PolarHBondContact OE2-NZ 3.22Å; E38-L75 HydrophobicContact CG-CD2 4.39Å; E38-R76 WeakPolarHBondContact O-CB 3.49Å; E38-R76 PolarHBondContact O-N 2.96Å
39E85.5Confident92.7Very high126 Ų12662.7 Ų62.759%0.58932%0.319SS*.Hα-helixtrans-107.3-31.4-164.1-64.7-177.3-17800114.3N35 E36 R76N35-E39 PolarHBondContact O-N 3.14Å; E36-E39 PolarHBondContact O-N 2.78Å; E39-R76 WeakPolarHBondContact O-CG 3.22Å
40D89.5Confident92.2Very high90 Ų9067.3 Ų67.348%0.48134%0.342SS..SBendtrans-98.51.1-164.4-72.5-3000114.2Q6 E36Q6-D40 PolarHBondContact NE2-O 3.04Å; E36-D40 HydrophobicContact CB-CB 4.45Å; E36-D40 WeakPolarHBondContact O-CB 3.39Å; E36-D40 PolarHBondContact O-N 2.76Å
41G88.4Confident91.9Very high3 Ų372.8 Ų72.83%0.03137%0.371CS..  trans76.825.6-178.700000113.6V43 R76 S78G41-V43 PolarHBondContact O-N 3.19Å; G41-R76 VanDerWaalsContact CA-O 3.27Å; G41-R76 WeakPolarHBondContact CA-O 3.3Å; G41-S78 WeakPolarHBondContact O-CB 3.39Å; G41-S78 PolarHBondContact O-N 3.44Å; G41-S78 PolarHBondContact O-OG 2.85Å
42C92.8Very high91.8Very high42 Ų4267.6 Ų67.628%0.28435%0.349SS..BIsolated β-bridgetrans-62-23.5179.6-630000113.7E36 F37 I63E36-C42 PolarHBondContact O-SG 3.05Å; E36-C42 VanDerWaalsContact O-SG 3.39Å; F37-C42 HydrophobicContact CD1-CB 4.24Å; C42-I63 HydrophobicContact CB-CD1 4.24Å
43V96Very high91.9Very high0 Ų063.2 Ų63.20%033%0.329CS..EExtended strand (participates in β ladder)trans-88.1117.9174.8179.10000108.8G41 V45 L55 I63 L75 C77 S78G41-V43 PolarHBondContact O-N 3.19Å; V43-V45 HydrophobicContact CG1-CG1 4.2Å; V43-L55 HydrophobicContact CG1-CD2 3.51Å; V43-I63 HydrophobicContact CG2-CB 3.84Å; V43-I63 HydrophobicContact CG2-CD1 4.48Å; V43-I63 HydrophobicContact CG2-CG2 3.44Å; V43-I63 VanDerWaalsContact CG2-CG2 3.44Å; V43-L75 HydrophobicContact CG2-CD1 4.08Å; V43-C77 CarbonylContact O-C 3.42Å; V43-C77 WeakPolarHBondContact O-CA 3.19Å; V43-C77 VanDerWaalsContact O-CB 3.24Å; V43-C77 WeakPolarHBondContact O-CB 3.32Å; V43-S78 PolarHBondContact O-N 3.46Å
44T97.1Very high92Very high36 Ų3661.7 Ų61.722%0.22132%0.324CS..EExtended strand (participates in β ladder)trans-93.2132.4176.4-550000110C56 S60 S78T44-C56 HydrophobicContact CG2-CB 3.77Å; T44-C56 PolarHBondContact O-N 3.3Å; T44-S60 PolarHBondContact N-OG 3.44Å; T44-S78 CarbonylContact C-O 3.59Å; T44-S78 WeakPolarHBondContact CA-O 3.46Å
45V97.5Very high92.3Very high0 Ų055.5 Ų55.50%030%0.3CS..EExtended strand (participates in β ladder)trans-132.5154.2175.5-57.90000111.7I14 V43 F53 Q54 L55 C77 S78 L79 S80I14-V45 HydrophobicContact CG2-CG1 4.43Å; V43-V45 HydrophobicContact CG1-CG1 4.2Å; V45-F53 HydrophobicContact CB-CB 3.93Å; V45-F53 HydrophobicContact CG1-CB 4.38Å; V45-F53 HydrophobicContact CG2-CB 3.97Å; V45-F53 HydrophobicContact CG2-CD1 3.82Å; V45-F53 HydrophobicContact CG2-CG 4.19Å; V45-Q54 CarbonylContact C-O 3.59Å; V45-Q54 WeakPolarHBondContact CA-O 3.45Å; V45-Q54 WeakPolarHBondContact CB-O 3.37Å; V45-L55 HydrophobicContact CG1-CD2 4.04Å; V45-C77 HydrophobicContact CG1-CB 4.22Å; V45-C77 HydrophobicContact CG2-CB 3.8Å; V45-S78 PolarHBondContact N-O 3.15Å; V45-L79 HydrophobicContact CG2-CD2 3.81Å; V45-L79 CarbonylContact O-C 3.54Å; V45-L79 WeakPolarHBondContact O-CA 3.36Å; V45-S80 PolarHBondContact O-N 3.39Å
46F96.9Very high92.6Very high39 Ų3950.9 Ų50.917%0.17128%0.277CS..EExtended strand (participates in β ladder)trans-105.1139.9170.4179.1-106.8000110.3D48 F53 Q54 E81 D82 A83 P84F46-D48 HydrophobicContact CD1-CB 4.15Å; F46-D48 HydrophobicContact CE1-CB 3.71Å; F46-F53 CarbonylContact O-C 3.54Å; F46-F53 WeakPolarHBondContact O-CA 3.49Å; F46-Q54 HydrophobicContact CB-CB 4.38Å; F46-Q54 PolarHBondContact N-O 2.97Å; F46-Q54 PolarHBondContact O-N 2.99Å; F46-E81 WeakPolarHBondContact CE2-O 3.23Å; F46-D82 WeakPolarHBondContact CD2-O 3.49Å; F46-A83 HydrophobicContact CD1-CB 3.85Å; F46-A83 HydrophobicContact CD2-CB 4.41Å; F46-A83 HydrophobicContact CE1-CB 3.55Å; F46-A83 HydrophobicContact CE2-CB 4.17Å; F46-A83 HydrophobicContact CG-CB 4.27Å; F46-A83 HydrophobicContact CZ-CB 3.74Å; F46-P84 HydrophobicContact CB-CG 4.48Å
47D95.3Very high92.9Very high62 Ų6248.8 Ų48.833%0.33228%0.279SS..  trans-109102.3176.5-169.1-10.8000108.4G49 F53D47-G49 PolarHBondContact O-N 2.89Å; D47-G49 PolarHBondContact OD1-N 2.69Å; D47-F53 HydrophobicContact CB-CD1 3.76Å; D47-F53 HydrophobicContact CB-CE1 3.6Å; D47-F53 VanDerWaalsContact CG-CE1 3.43Å; D47-F53 VanDerWaalsContact OD2-CE1 3.23Å; D47-F53 WeakPolarHBondContact OD2-CE1 3.43Å
48D90.4Very high93.1Very high52 Ų5252.6 Ų52.628%0.27830%0.297SS..  trans-81.86.1177.35911000112.6F46 L50 Q54F46-D48 HydrophobicContact CD1-CB 4.15Å; F46-D48 HydrophobicContact CE1-CB 3.71Å; D48-L50 PolarHBondContact O-N 3.47Å; D48-L50 WeakPolarHBondContact OD1-CA 3.44Å; D48-L50 WeakPolarHBondContact OD1-CB 3.33Å; D48-L50 VanDerWaalsContact OD1-CG 3.3Å; D48-L50 WeakPolarHBondContact OD1-CG 3.45Å; D48-L50 PolarHBondContact OD1-N 2.91Å; D48-L50 WeakPolarHBondContact OD2-CD1 3.14Å; D48-Q54 PolarHBondContact OD2-NE2 3.22Å
49G88.7Confident93.5Very high65 Ų6556.3 Ų56.367%0.6732%0.315SS*.SBendtrans78.92.8-174.600000114D47D47-G49 PolarHBondContact O-N 2.89Å; D47-G49 PolarHBondContact OD1-N 2.69Å
50L86.4Confident94Very high120 Ų12050.6 Ų50.663%0.62829%0.289SS*.SBendtrans-87.9-172.3173.1-54177.8000111.4D48 Q52D48-L50 PolarHBondContact O-N 3.47Å; D48-L50 WeakPolarHBondContact OD1-CA 3.44Å; D48-L50 WeakPolarHBondContact OD1-CB 3.33Å; D48-L50 VanDerWaalsContact OD1-CG 3.3Å; D48-L50 WeakPolarHBondContact OD1-CG 3.45Å; D48-L50 PolarHBondContact OD1-N 2.91Å; D48-L50 WeakPolarHBondContact OD2-CD1 3.14Å; L50-Q52 VanDerWaalsContact C-N 3.32Å; L50-Q52 PolarHBondContact O-N 3.29Å
51L89.6Confident94.4Very high146 Ų14646.4 Ų46.476%0.76427%0.266SS*.SBendtrans-68.8-29.8-178.3-81.5154.8000113.1R13R13-L51 PolarHBondContact NE-O 3.36Å; R13-L51 PolarHBondContact NH2-O 3.46Å; R13-L51 VanDerWaalsContact NH2-O 3.08Å
52Q94.5Very high94.8Very high78 Ų7846.8 Ų46.836%0.36427%0.267SS..SBendtrans-116.1138.8-172.1-67.5-176.2-31.300112.1R13 R15 L50R13-Q52 CarbonylContact O-C 3.58Å; R13-Q52 WeakPolarHBondContact O-CA 3.33Å; R15-Q52 HydrophobicContact CG-CB 4.23Å; L50-Q52 VanDerWaalsContact C-N 3.32Å; L50-Q52 PolarHBondContact O-N 3.29Å
53F97Very high95Very high1 Ų145 Ų450%0.00426%0.255CS..EExtended strand (participates in β ladder)trans-86.7134.9172.3-64.4-95.1000110.2K7 V9 R13 I14 R15 V45 F46 D47 L79K7-F53 HydrophobicContact CD-CZ 4.35Å; V9-F53 HydrophobicContact CG1-CB 4.47Å; V9-F53 HydrophobicContact CG1-CD2 3.37Å; V9-F53 HydrophobicContact CG1-CE2 3.7Å; V9-F53 HydrophobicContact CG1-CG 4Å; V9-F53 HydrophobicContact CG2-CD2 4.36Å; V9-F53 HydrophobicContact CG2-CE1 4.49Å; V9-F53 HydrophobicContact CG2-CE2 4.26Å; V9-F53 HydrophobicContact CG2-CZ 4.34Å; R13-F53 HydrophobicContact CB-CD2 4.19Å; R13-F53 PolarHBondContact O-N 3.44Å; I14-F53 WeakPolarHBondContact CA-O 3.18Å; R15-F53 PolarHBondContact N-O 2.9Å; V45-F53 HydrophobicContact CB-CB 3.93Å; V45-F53 HydrophobicContact CG1-CB 4.38Å; V45-F53 HydrophobicContact CG2-CB 3.97Å; V45-F53 HydrophobicContact CG2-CD1 3.82Å; V45-F53 HydrophobicContact CG2-CG 4.19Å; F46-F53 CarbonylContact O-C 3.54Å; F46-F53 WeakPolarHBondContact O-CA 3.49Å; D47-F53 HydrophobicContact CB-CD1 3.76Å; D47-F53 HydrophobicContact CB-CE1 3.6Å; D47-F53 VanDerWaalsContact CG-CE1 3.43Å; D47-F53 VanDerWaalsContact OD2-CE1 3.23Å; D47-F53 WeakPolarHBondContact OD2-CE1 3.43Å; F53-L79 HydrophobicContact CD1-CD2 4.42Å; F53-L79 HydrophobicContact CE1-CD2 4.24Å
54Q97.4Very high95.1Very high20 Ų2045 Ų459%0.09326%0.255CS..EExtended strand (participates in β ladder)trans-91130.5-177.7-56.7-176.9-8.400110R15 T17 V45 F46 D48 P84R15-Q54 HydrophobicContact CG-CG 4.45Å; T17-Q54 HydrophobicContact CG2-CB 3.85Å; V45-Q54 CarbonylContact C-O 3.59Å; V45-Q54 WeakPolarHBondContact CA-O 3.45Å; V45-Q54 WeakPolarHBondContact CB-O 3.37Å; F46-Q54 HydrophobicContact CB-CB 4.38Å; F46-Q54 PolarHBondContact N-O 2.97Å; F46-Q54 PolarHBondContact O-N 2.99Å; D48-Q54 PolarHBondContact OD2-NE2 3.22Å; Q54-P84 HydrophobicContact CB-CG 3.79Å
55L98Very high95.2Very high0 Ų043.2 Ų43.20%024%0.244CC..EExtended strand (participates in β ladder)trans-69.6138177.2-80.4161.6000111.9I14 R15 P16 T17 V43 V45 H61 F64I14-L55 HydrophobicContact CG2-CD1 3.73Å; I14-L55 HydrophobicContact CG2-CD2 3.82Å; I14-L55 HydrophobicContact CG2-CG 3.51Å; R15-L55 PolarHBondContact O-N 3.38Å; P16-L55 HydrophobicContact CB-CD1 4.31Å; T17-L55 PolarHBondContact OG1-O 3.31Å; V43-L55 HydrophobicContact CG1-CD2 3.51Å; V45-L55 HydrophobicContact CG1-CD2 4.04Å; L55-H61 WeakPolarHBondContact CB-CE1 3.42Å; L55-F64 HydrophobicContact CD1-CB 3.81Å; L55-F64 HydrophobicContact CD1-CD1 3.49Å; L55-F64 VanDerWaalsContact CD1-CD1 3.49Å; L55-F64 HydrophobicContact CD1-CE1 4.13Å; L55-F64 HydrophobicContact CD1-CG 3.69Å; L55-F64 HydrophobicContact CD2-CB 4.17Å
56C97.3Very high95.2Very high16 Ų1643.2 Ų43.211%0.10824%0.244CC..  trans-110.8120.3177.5-58.30000110.3T44 S60T44-C56 HydrophobicContact CG2-CB 3.77Å; T44-C56 PolarHBondContact O-N 3.3Å; C56-S60 WeakPolarHBondContact O-CB 3.47Å; C56-S60 PolarHBondContact O-OG 3.5Å
57G95.2Very high95.2Very high45 Ų4541.4 Ų41.446%0.46424%0.236SC..SBendtrans78.2156.6173.800000114.7Q59 S60 H61G57-Q59 PolarHBondContact O-N 3.22Å; G57-S60 PolarHBondContact O-N 2.93Å; G57-H61 PolarHBondContact O-N 3.06Å; G57-H61 PolarHBondContact O-ND1 2.73Å
58Q95.2Very high95.3Very high109 Ų10938.8 Ų38.851%0.50922%0.222SC..Hα-helixtrans-65-39.2-171.1-170.4176.518.600113.3L18 S60 H61 H62L18-Q58 HydrophobicContact CD1-CB 4.22Å; Q58-S60 PolarHBondContact O-N 3Å; Q58-H61 WeakPolarHBondContact O-CB 3.36Å; Q58-H61 PolarHBondContact O-N 2.78Å; Q58-H62 VanDerWaalsContact CG-CE1 3.45Å; Q58-H62 WeakPolarHBondContact CG-CE1 3.44Å; Q58-H62 PolarHBondContact O-N 2.88Å; Q58-H62 PolarHBondContact O-ND1 2.69Å
59Q94.9Very high95.7Very high133 Ų13337.2 Ų37.262%0.62121%0.214SC*.Hα-helixtrans-60.7-45.9179.7-176.5178.91.300111.8G57 H61 H62 I63G57-Q59 PolarHBondContact O-N 3.22Å; Q59-H61 PolarHBondContact O-N 2.78Å; Q59-H62 PolarHBondContact O-N 2.92Å; Q59-H62 VanDerWaalsContact O-N 3.17Å; Q59-I63 HydrophobicContact CG-CD1 3.91Å; Q59-I63 WeakPolarHBondContact O-CG1 3.28Å; Q59-I63 PolarHBondContact O-N 3.4Å
60S96.9Very high96.1Very high6 Ų637.4 Ų37.44%0.04220%0.199CC..Hα-helixtrans-56.7-40177.5-54.30000111.8T44 C56 G57 Q58 F64T44-S60 PolarHBondContact N-OG 3.44Å; C56-S60 WeakPolarHBondContact O-CB 3.47Å; C56-S60 PolarHBondContact O-OG 3.5Å; G57-S60 PolarHBondContact O-N 2.93Å; Q58-S60 PolarHBondContact O-N 3Å; S60-F64 VanDerWaalsContact O-CB 3.25Å; S60-F64 WeakPolarHBondContact O-CB 3.48Å; S60-F64 PolarHBondContact O-N 2.87Å
61H97.9Very high96.6Very high2 Ų238 Ų381%0.00920%0.199CC..Hα-helixtrans-62.4-47.6176.7-73.475.2000112.3T17 L18 L55 G57 Q58 Q59 F64 Y65T17-H61 PolarHBondContact N-NE2 3.33Å; T17-H61 PolarHBondContact OG1-CE1 3.01Å; T17-H61 PolarHBondContact OG1-NE2 3.37Å; L18-H61 PolarHBondContact N-NE2 3Å; L55-H61 WeakPolarHBondContact CB-CE1 3.42Å; G57-H61 PolarHBondContact O-N 3.06Å; G57-H61 PolarHBondContact O-ND1 2.73Å; Q58-H61 WeakPolarHBondContact O-CB 3.36Å; Q58-H61 PolarHBondContact O-N 2.78Å; Q59-H61 PolarHBondContact O-N 2.78Å; H61-F64 WeakPolarHBondContact O-CB 3.46Å; H61-F64 PolarHBondContact O-N 3.09Å; H61-Y65 HydrophobicContact CB-CE2 3.97Å; H61-Y65 WeakPolarHBondContact O-CD2 3.4Å; H61-Y65 PolarHBondContact O-N 2.78Å
62H96.1Very high96.9Very high10 Ų1033.4 Ų33.45%0.04617%0.173CC..Hα-helixtrans-65.9-43.2-178.1-70.879.4000112Q58 Q59 F64 Y65 A66Q58-H62 VanDerWaalsContact CG-CE1 3.45Å; Q58-H62 WeakPolarHBondContact CG-CE1 3.44Å; Q58-H62 PolarHBondContact O-N 2.88Å; Q58-H62 PolarHBondContact O-ND1 2.69Å; Q59-H62 PolarHBondContact O-N 2.92Å; Q59-H62 VanDerWaalsContact O-N 3.17Å; H62-F64 VanDerWaalsContact C-N 3.31Å; H62-F64 PolarHBondContact O-N 2.89Å; H62-Y65 PolarHBondContact O-N 3.43Å; H62-A66 WeakPolarHBondContact O-CB 3.17Å; H62-A66 PolarHBondContact O-N 3.01Å
63I97.2Very high97Very high4 Ų434.1 Ų34.12%0.02118%0.184CC..Hα-helixtrans-61.8-43175.1-64.2171.2000110.2T29 W33 F37 C42 V43 Q59 A66 A67T29-I63 HydrophobicContact CG2-CG1 4.27Å; W33-I63 HydrophobicContact CH2-CG2 4Å; W33-I63 HydrophobicContact CZ3-CG2 3.98Å; F37-I63 HydrophobicContact CB-CG2 3.83Å; F37-I63 HydrophobicContact CD1-CD1 3.81Å; F37-I63 HydrophobicContact CD1-CG1 4.41Å; F37-I63 HydrophobicContact CD2-CG2 4.46Å; F37-I63 HydrophobicContact CE1-CD1 3.98Å; F37-I63 HydrophobicContact CG-CD1 4.28Å; F37-I63 HydrophobicContact CG-CG1 4.46Å; F37-I63 HydrophobicContact CG-CG2 4.08Å; C42-I63 HydrophobicContact CB-CD1 4.24Å; V43-I63 HydrophobicContact CG2-CB 3.84Å; V43-I63 HydrophobicContact CG2-CD1 4.48Å; V43-I63 HydrophobicContact CG2-CG2 3.44Å; V43-I63 VanDerWaalsContact CG2-CG2 3.44Å; Q59-I63 HydrophobicContact CG-CD1 3.91Å; Q59-I63 WeakPolarHBondContact O-CG1 3.28Å; Q59-I63 PolarHBondContact O-N 3.4Å; I63-A66 PolarHBondContact O-N 3.08Å; I63-A67 WeakPolarHBondContact O-CB 3.25Å; I63-A67 PolarHBondContact O-N 3.29Å
64F97.9Very high96.9Very high0 Ų035.4 Ų35.40%019%0.193CC..Hα-helixtrans-61.3-45.6176.2167.8-106.6000112.6I14 L55 S60 H61 H62 A66 A67 L68 L75I14-F64 HydrophobicContact CB-CD2 4.05Å; I14-F64 HydrophobicContact CB-CE2 3.64Å; I14-F64 HydrophobicContact CB-CZ 4.2Å; I14-F64 HydrophobicContact CD1-CD2 4.23Å; I14-F64 HydrophobicContact CD1-CE2 4.42Å; I14-F64 HydrophobicContact CG2-CD2 3.76Å; I14-F64 HydrophobicContact CG2-CE2 3.75Å; I14-F64 HydrophobicContact CG2-CG 4.22Å; I14-F64 HydrophobicContact CG2-CZ 4.18Å; L55-F64 HydrophobicContact CD1-CB 3.81Å; L55-F64 HydrophobicContact CD1-CD1 3.49Å; L55-F64 VanDerWaalsContact CD1-CD1 3.49Å; L55-F64 HydrophobicContact CD1-CE1 4.13Å; L55-F64 HydrophobicContact CD1-CG 3.69Å; L55-F64 HydrophobicContact CD2-CB 4.17Å; S60-F64 VanDerWaalsContact O-CB 3.25Å; S60-F64 WeakPolarHBondContact O-CB 3.48Å; S60-F64 PolarHBondContact O-N 2.87Å; H61-F64 WeakPolarHBondContact O-CB 3.46Å; H61-F64 PolarHBondContact O-N 3.09Å; H62-F64 VanDerWaalsContact C-N 3.31Å; H62-F64 PolarHBondContact O-N 2.89Å; F64-A66 VanDerWaalsContact C-N 3.35Å; F64-A66 PolarHBondContact O-N 3.15Å; F64-A67 VanDerWaalsContact O-CB 3.31Å; F64-A67 WeakPolarHBondContact O-CB 3.25Å; F64-A67 PolarHBondContact O-N 3.04Å; F64-A67 VanDerWaalsContact O-N 3.15Å; F64-L68 HydrophobicContact CD1-CD1 4.4Å; F64-L68 HydrophobicContact CD2-CG 4.48Å; F64-L68 HydrophobicContact CE1-CD1 3.7Å; F64-L68 HydrophobicContact CE1-CG 4.19Å; F64-L68 HydrophobicContact CE2-CD1 4.31Å; F64-L68 HydrophobicContact CE2-CD2 3.82Å; F64-L68 HydrophobicContact CE2-CG 4.04Å; F64-L68 HydrophobicContact CZ-CD1 3.66Å; F64-L68 HydrophobicContact CZ-CD2 3.92Å; F64-L68 HydrophobicContact CZ-CG 3.91Å; F64-L68 WeakPolarHBondContact O-CG 3.07Å; F64-L68 PolarHBondContact O-N 3.2Å; F64-L75 HydrophobicContact CD2-CD1 4.48Å
65Y98.2Very high96.9Very high0 Ų034.5 Ų34.50%019%0.189CC..Hα-helixtrans-62.5-42.6177.4-62-37.4000111.8P16 I21 H61 H62 A67 L68 V69 L113 L117P16-Y65 HydrophobicContact CB-CE1 4.19Å; P16-Y65 VanDerWaalsContact CB-OH 3.22Å; P16-Y65 WeakPolarHBondContact CB-OH 3.45Å; P16-Y65 HydrophobicContact CG-CE1 4.29Å; I21-Y65 HydrophobicContact CB-CE2 4.36Å; I21-Y65 HydrophobicContact CD1-CD2 4.44Å; I21-Y65 HydrophobicContact CD1-CE1 4.31Å; I21-Y65 HydrophobicContact CD1-CE2 4.14Å; I21-Y65 HydrophobicContact CG1-CD2 4.17Å; I21-Y65 HydrophobicContact CG1-CE2 3.64Å; I21-Y65 HydrophobicContact CG2-CD2 4.05Å; I21-Y65 HydrophobicContact CG2-CE2 4.32Å; H61-Y65 HydrophobicContact CB-CE2 3.97Å; H61-Y65 WeakPolarHBondContact O-CD2 3.4Å; H61-Y65 PolarHBondContact O-N 2.78Å; H62-Y65 PolarHBondContact O-N 3.43Å; Y65-A67 VanDerWaalsContact C-N 3.31Å; Y65-A67 PolarHBondContact O-N 3.15Å; Y65-L68 WeakPolarHBondContact O-CB 3.24Å; Y65-L68 PolarHBondContact O-N 2.85Å; Y65-L68 VanDerWaalsContact O-N 3.17Å; Y65-V69 WeakPolarHBondContact O-CG2 3.27Å; Y65-V69 PolarHBondContact O-N 3.48Å; Y65-V69 VanDerWaalsContact O-N 3.13Å; Y65-L113 HydrophobicContact CD1-CD1 4.16Å; Y65-L113 HydrophobicContact CG-CD1 4.43Å; Y65-L113 HydrophobicContact CG-CD2 4.33Å; Y65-L117 HydrophobicContact CD1-CD1 4.37Å; Y65-L117 HydrophobicContact CE1-CD1 4.29Å
66A97.8Very high96.8Very high0 Ų038.9 Ų38.90%021%0.206CC..Hα-helixtrans-60.3-41.9172.900000111.5L26 T29 L30 W33 H62 I63 F64 L68 V69 L70L26-A66 HydrophobicContact CD1-CB 4Å; T29-A66 HydrophobicContact CG2-CB 3.71Å; L30-A66 HydrophobicContact CD2-CB 3.75Å; L30-A66 HydrophobicContact CG-CB 4Å; W33-A66 HydrophobicContact CE3-CB 3.98Å; W33-A66 HydrophobicContact CZ3-CB 3.74Å; H62-A66 WeakPolarHBondContact O-CB 3.17Å; H62-A66 PolarHBondContact O-N 3.01Å; I63-A66 PolarHBondContact O-N 3.08Å; F64-A66 VanDerWaalsContact C-N 3.35Å; F64-A66 PolarHBondContact O-N 3.15Å; A66-L68 VanDerWaalsContact C-N 3.29Å; A66-L68 PolarHBondContact O-N 3.06Å; A66-V69 PolarHBondContact O-N 2.82Å; A66-L70 WeakPolarHBondContact O-CB 3.31Å; A66-L70 VanDerWaalsContact O-CG 3.32Å; A66-L70 WeakPolarHBondContact O-CG 3Å; A66-L70 PolarHBondContact O-N 3.45Å
67A97.7Very high96.8Very high0 Ų038.1 Ų38.10%020%0.201CC..Hα-helixtrans-60.4-37.1175.400000112.5W33 I63 F64 Y65 L70 H71 K72 L75W33-A67 HydrophobicContact CH2-CB 3.76Å; W33-A67 HydrophobicContact CZ3-CB 4.38Å; I63-A67 WeakPolarHBondContact O-CB 3.25Å; I63-A67 PolarHBondContact O-N 3.29Å; F64-A67 VanDerWaalsContact O-CB 3.31Å; F64-A67 WeakPolarHBondContact O-CB 3.25Å; F64-A67 PolarHBondContact O-N 3.04Å; F64-A67 VanDerWaalsContact O-N 3.15Å; Y65-A67 VanDerWaalsContact C-N 3.31Å; Y65-A67 PolarHBondContact O-N 3.15Å; A67-L70 CarbonylContact O-C 3.53Å; A67-L70 PolarHBondContact O-N 3.09Å; A67-H71 PolarHBondContact O-N 2.85Å; A67-H71 VanDerWaalsContact O-N 3.15Å; A67-K72 HydrophobicContact CB-CB 4.04Å; A67-K72 HydrophobicContact CB-CG 4.15Å; A67-K72 WeakPolarHBondContact O-CB 3.49Å; A67-K72 PolarHBondContact O-N 3.41Å; A67-L75 HydrophobicContact CB-CD1 3.85Å; A67-L75 HydrophobicContact CB-CD2 3.96Å; A67-L75 HydrophobicContact CB-CG 4.26Å
68L97.9Very high96.8Very high7 Ų736.6 Ų36.64%0.03718%0.183CC..Hα-helixtrans-64.7-46.6175.4-66.9-172.1000111.9F64 Y65 A66 L70 H71 L113 A116 L117F64-L68 HydrophobicContact CD1-CD1 4.4Å; F64-L68 HydrophobicContact CD2-CG 4.48Å; F64-L68 HydrophobicContact CE1-CD1 3.7Å; F64-L68 HydrophobicContact CE1-CG 4.19Å; F64-L68 HydrophobicContact CE2-CD1 4.31Å; F64-L68 HydrophobicContact CE2-CD2 3.82Å; F64-L68 HydrophobicContact CE2-CG 4.04Å; F64-L68 HydrophobicContact CZ-CD1 3.66Å; F64-L68 HydrophobicContact CZ-CD2 3.92Å; F64-L68 HydrophobicContact CZ-CG 3.91Å; F64-L68 WeakPolarHBondContact O-CG 3.07Å; F64-L68 PolarHBondContact O-N 3.2Å; Y65-L68 WeakPolarHBondContact O-CB 3.24Å; Y65-L68 PolarHBondContact O-N 2.85Å; Y65-L68 VanDerWaalsContact O-N 3.17Å; A66-L68 VanDerWaalsContact C-N 3.29Å; A66-L68 PolarHBondContact O-N 3.06Å; L68-L70 VanDerWaalsContact C-N 3.29Å; L68-L70 PolarHBondContact O-N 3.45Å; L68-H71 PolarHBondContact O-N 3.43Å; L68-L113 HydrophobicContact CB-CD1 4.05Å; L68-L113 HydrophobicContact CD1-CD1 3.99Å; L68-A116 HydrophobicContact CB-CB 4.45Å; L68-L117 HydrophobicContact CD1-CD2 3.67Å; L68-L117 HydrophobicContact CD1-CG 3.96Å
69V98Very high96.8Very high19 Ų1933.2 Ų33.212%0.11517%0.168CC..Hα-helixtrans-63.4-37.8177.7174.80000111L30 Y65 A66 H71 V109 L113L30-V69 HydrophobicContact CD1-CB 4.49Å; L30-V69 HydrophobicContact CD1-CG1 4.08Å; L30-V69 HydrophobicContact CD2-CB 4.09Å; L30-V69 HydrophobicContact CD2-CG1 4.06Å; Y65-V69 WeakPolarHBondContact O-CG2 3.27Å; Y65-V69 PolarHBondContact O-N 3.48Å; Y65-V69 VanDerWaalsContact O-N 3.13Å; A66-V69 PolarHBondContact O-N 2.82Å; V69-H71 PolarHBondContact O-N 3.43Å; V69-V109 HydrophobicContact CG1-CG1 4.29Å; V69-V109 HydrophobicContact CG1-CG2 4.4Å; V69-V109 HydrophobicContact CG2-CG1 4.19Å; V69-L113 HydrophobicContact CG2-CB 3.77Å; V69-L113 HydrophobicContact CG2-CD1 4.25Å; V69-L113 HydrophobicContact CG2-CG 4.46Å
70L97.1Very high96.9Very high69 Ų6928.1 Ų28.136%0.36115%0.147SC..THydrogen-bonded Turntrans-807.6174.8-64.2173.1000113.7L30 W33 A66 A67 L68 K72L30-L70 HydrophobicContact CD2-CD1 3.95Å; L30-L70 HydrophobicContact CD2-CD2 4.01Å; L30-L70 HydrophobicContact CD2-CG 3.63Å; W33-L70 HydrophobicContact CB-CD1 4.08Å; W33-L70 HydrophobicContact CD2-CD1 3.35Å; W33-L70 HydrophobicContact CE3-CD1 3.59Å; W33-L70 HydrophobicContact CG-CD1 3.58Å; W33-L70 HydrophobicContact CZ2-CD1 4.46Å; W33-L70 HydrophobicContact CZ3-CD1 4.25Å; A66-L70 WeakPolarHBondContact O-CB 3.31Å; A66-L70 VanDerWaalsContact O-CG 3.32Å; A66-L70 WeakPolarHBondContact O-CG 3Å; A66-L70 PolarHBondContact O-N 3.45Å; A67-L70 CarbonylContact O-C 3.53Å; A67-L70 PolarHBondContact O-N 3.09Å; L68-L70 VanDerWaalsContact C-N 3.29Å; L68-L70 PolarHBondContact O-N 3.45Å; L70-K72 HydrophobicContact CB-CG 4.1Å; L70-K72 PolarHBondContact O-N 2.97Å
71H96.9Very high96.7Very high134 Ų13436.6 Ų36.662%0.6219%0.186SC*.THydrogen-bonded Turntrans5434179.3-51.4-69.1000115.1A67 L68 V69 E112A67-H71 PolarHBondContact O-N 2.85Å; A67-H71 VanDerWaalsContact O-N 3.15Å; L68-H71 PolarHBondContact O-N 3.43Å; V69-H71 PolarHBondContact O-N 3.43Å; H71-E112 VanDerWaalsContact CE1-CD 3.49Å; H71-E112 IonicContact CE1-OE1 3.06Å; H71-E112 PolarHBondContact CE1-OE1 2.7Å; H71-E112 IonicContact ND1-OE1 2.66Å
72K96.1Very high96.5Very high49 Ų4942.5 Ų42.521%0.21322%0.217CC..  trans-68.9128.9178.8-58.7-65.9-179.1162.20110.6T11 W33 E38 A67 L70T11-K72 WeakPolarHBondContact CG2-O 3.2Å; T11-K72 PolarHBondContact OG1-O 3.46Å; W33-K72 HydrophobicContact CZ2-CG 4.22Å; E38-K72 VanDerWaalsContact OE1-CE 3.25Å; E38-K72 WeakPolarHBondContact OE1-CE 3.39Å; E38-K72 IonicContact OE1-NZ 3.15Å; E38-K72 PolarHBondContact OE1-NZ 3.48Å; E38-K72 IonicContact OE2-NZ 3.89Å; E38-K72 PolarHBondContact OE2-NZ 3.22Å; A67-K72 HydrophobicContact CB-CB 4.04Å; A67-K72 HydrophobicContact CB-CG 4.15Å; A67-K72 WeakPolarHBondContact O-CB 3.49Å; A67-K72 PolarHBondContact O-N 3.41Å; L70-K72 HydrophobicContact CB-CG 4.1Å; L70-K72 PolarHBondContact O-N 2.97Å
73P95.8Very high96.4Very high93 Ų9345 Ų4560%0.60424%0.24SC*.SBendtrans-76.5-29.9-175.829.7-34.9000113S10 T11S10-P73 WeakPolarHBondContact CA-O 3.34Å; S10-P73 PolarHBondContact OG-O 2.9Å; T11-P73 PolarHBondContact N-O 3.24Å; T11-P73 PolarHBondContact OG1-O 3.13Å
74S96.1Very high96.4Very high28 Ų2846.1 Ų46.120%0.19625%0.247CC..EExtended strand (participates in β ladder)trans-149.4165.4-178.252.80000110.6E8 V9E8-S74 WeakPolarHBondContact OE1-CB 3.3Å; E8-S74 PolarHBondContact OE1-OG 3.36Å; V9-S74 CarbonylContact O-C 3.43Å; V9-S74 WeakPolarHBondContact O-CA 3.09Å; V9-S74 WeakPolarHBondContact O-CB 3.46Å
75L96.4Very high96.3Very high1 Ų152.7 Ų52.71%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-134.1144.5169.9-65.9169.4000108.3E8 V9 T11 I14 W33 E38 V43 F64 A67 C77E8-L75 WeakPolarHBondContact CA-O 3.5Å; V9-L75 PolarHBondContact N-O 2.74Å; V9-L75 PolarHBondContact O-N 3.08Å; T11-L75 HydrophobicContact CG2-CD1 4.29Å; T11-L75 HydrophobicContact CG2-CG 4.13Å; I14-L75 HydrophobicContact CD1-CD1 4.37Å; W33-L75 HydrophobicContact CH2-CD2 4.33Å; E38-L75 HydrophobicContact CG-CD2 4.39Å; V43-L75 HydrophobicContact CG2-CD1 4.08Å; F64-L75 HydrophobicContact CD2-CD1 4.48Å; A67-L75 HydrophobicContact CB-CD1 3.85Å; A67-L75 HydrophobicContact CB-CD2 3.96Å; A67-L75 HydrophobicContact CB-CG 4.26Å; L75-C77 PolarHBondContact O-N 3.17Å
76R96.3Very high96.1Very high92 Ų9253.6 Ų53.635%0.34728%0.283SS..EExtended strand (participates in β ladder)trans-71123.7159.5-170.374.661.8-171.4-11107.3Q6 E8 E38 E39 G41Q6-R76 HydrophobicContact CB-CG 4.39Å; E8-R76 IonicContact OE2-NH2 3.92Å; E38-R76 WeakPolarHBondContact O-CB 3.49Å; E38-R76 PolarHBondContact O-N 2.96Å; E39-R76 WeakPolarHBondContact O-CG 3.22Å; G41-R76 VanDerWaalsContact CA-O 3.27Å; G41-R76 WeakPolarHBondContact CA-O 3.3Å
77C96.4Very high96.1Very high0 Ų055.8 Ų55.80%029%0.294CS..EExtended strand (participates in β ladder)trans-117.6147.2178.9-58.50000111.1Q6 K7 V9 V43 V45 L75Q6-C77 CarbonylContact C-O 3.46Å; Q6-C77 WeakPolarHBondContact CA-O 3.36Å; K7-C77 PolarHBondContact N-O 3.38Å; K7-C77 PolarHBondContact O-N 2.9Å; V9-C77 HydrophobicContact CG2-CB 4.14Å; V43-C77 CarbonylContact O-C 3.42Å; V43-C77 WeakPolarHBondContact O-CA 3.19Å; V43-C77 VanDerWaalsContact O-CB 3.24Å; V43-C77 WeakPolarHBondContact O-CB 3.32Å; V45-C77 HydrophobicContact CG1-CB 4.22Å; V45-C77 HydrophobicContact CG2-CB 3.8Å; L75-C77 PolarHBondContact O-N 3.17Å
78S96.4Very high96Very high13 Ų1355.8 Ų55.89%0.09129%0.294CS..EExtended strand (participates in β ladder)trans-84.8141.9163.1-64.20000109.7R5 G41 V43 T44 V45R5-S78 CarbonylContact O-C 3.53Å; G41-S78 WeakPolarHBondContact O-CB 3.39Å; G41-S78 PolarHBondContact O-N 3.44Å; G41-S78 PolarHBondContact O-OG 2.85Å; V43-S78 PolarHBondContact O-N 3.46Å; T44-S78 CarbonylContact C-O 3.59Å; T44-S78 WeakPolarHBondContact CA-O 3.46Å; V45-S78 PolarHBondContact N-O 3.15Å
79L95.7Very high95.7Very high38 Ų3861.2 Ų61.220%0.19932%0.319CS..EExtended strand (participates in β ladder)trans-93.5120.9178.2-60.8179.9000110R5 V45 F53R5-L79 HydrophobicContact CB-CB 4.29Å; R5-L79 HydrophobicContact CB-CD1 4.03Å; R5-L79 HydrophobicContact CB-CG 4.43Å; R5-L79 WeakPolarHBondContact O-CB 3.2Å; R5-L79 PolarHBondContact O-N 3.01Å; V45-L79 HydrophobicContact CG2-CD2 3.81Å; V45-L79 CarbonylContact O-C 3.54Å; V45-L79 WeakPolarHBondContact O-CA 3.36Å; F53-L79 HydrophobicContact CD1-CD2 4.42Å; F53-L79 HydrophobicContact CE1-CD2 4.24Å
80S95.6Very high95.4Very high26 Ų2666.7 Ų66.718%0.18234%0.344CS..EExtended strand (participates in β ladder)trans-74142.5169-169.20000110.1V45 D82V45-S80 PolarHBondContact O-N 3.39Å; S80-D82 WeakPolarHBondContact CB-O 3.28Å; S80-D82 PolarHBondContact OG-N 3.4Å; S80-D82 PolarHBondContact OG-O 3.48Å
81E93.4Very high95.1Very high184 Ų18468 Ų6886%0.8635%0.348SS*.SBendtrans-82.4-25.9167-64.4-173.6173.800111.3F46F46-E81 WeakPolarHBondContact CE2-O 3.23Å
82D94.2Very high95Very high125 Ų12569 Ų6967%0.66835%0.353SS*.SBendtrans-97.1132.9-178.9-58.2-55.4000110.8F46 S80F46-D82 WeakPolarHBondContact CD2-O 3.49Å; S80-D82 WeakPolarHBondContact CB-O 3.28Å; S80-D82 PolarHBondContact OG-N 3.4Å; S80-D82 PolarHBondContact OG-O 3.48Å
83A94.6Very high94.9Very high62 Ų6269.6 Ų69.651%0.51236%0.358SS..PPolyproline II helixtrans-67.9134.7172.700000110.2F46F46-A83 HydrophobicContact CD1-CB 3.85Å; F46-A83 HydrophobicContact CD2-CB 4.41Å; F46-A83 HydrophobicContact CE1-CB 3.55Å; F46-A83 HydrophobicContact CE2-CB 4.17Å; F46-A83 HydrophobicContact CG-CB 4.27Å; F46-A83 HydrophobicContact CZ-CB 3.74Å
84P96.5Very high95Very high28 Ų2870.4 Ų70.418%0.18235%0.349CS..PPolyproline II helixtrans-70.4156.6169.632.7-35.4000110.5T17 F46 Q54T17-P84 HydrophobicContact CG2-CB 4.47Å; T17-P84 HydrophobicContact CG2-CG 3.91Å; F46-P84 HydrophobicContact CB-CG 4.48Å; Q54-P84 HydrophobicContact CB-CG 3.79Å
85E95.5Very high95Very high138 Ų13869.1 Ų69.165%0.64534%0.34SS*.PPolyproline II helixtrans-70.1131.2161.9-171.6177.8-162.300109.2I87E85-I87 HydrophobicContact CB-CG1 4.47Å; E85-I87 HydrophobicContact CG-CG1 3.86Å; E85-I87 PolarHBondContact O-N 3.38Å
86D95Very high95Very high20 Ų2073.5 Ų73.511%0.10736%0.36CS..  trans-102.272.4-178.7-170.25000112.5R15 T17 L88 E89R15-D86 IonicContact CZ-OD2 3.04Å; R15-D86 IonicContact NH1-OD1 3.81Å; R15-D86 IonicContact NH1-OD2 2.64Å; R15-D86 PolarHBondContact NH1-OD2 3.3Å; R15-D86 IonicContact NH2-OD2 2.61Å; R15-D86 PolarHBondContact NH2-OD2 3.33Å; T17-D86 WeakPolarHBondContact CA-OD1 3.4Å; T17-D86 HydrophobicContact CG2-CB 4.33Å; D86-L88 PolarHBondContact O-N 2.96Å; D86-L88 PolarHBondContact OD1-N 3.46Å; D86-E89 HydrophobicContact CB-CB 4.38Å; D86-E89 PolarHBondContact O-N 2.96Å; D86-E89 PolarHBondContact OD1-N 3.26Å; D86-E89 VanDerWaalsContact OD1-N 3.12Å; D86-E89 VanDerWaalsContact OD2-CB 3.29Å; D86-E89 WeakPolarHBondContact OD2-CB 3.32Å
87I96.2Very high95Very high46 Ų4670.6 Ų70.624%0.23635%0.351CS..Hα-helixtrans-62.9-30.7179.2-54.3169.6000110.6T17 L18 P19 E85 E90 H91T17-I87 PolarHBondContact O-N 3.12Å; T17-I87 VanDerWaalsContact O-N 3.08Å; L18-I87 HydrophobicContact CD2-CD1 4.01Å; P19-I87 HydrophobicContact CG-CG2 4.02Å; E85-I87 HydrophobicContact CB-CG1 4.47Å; E85-I87 HydrophobicContact CG-CG1 3.86Å; E85-I87 PolarHBondContact O-N 3.38Å; I87-E90 WeakPolarHBondContact O-CB 3.49Å; I87-E90 PolarHBondContact O-N 2.96Å; I87-H91 PolarHBondContact O-CD2 3.32Å; I87-H91 PolarHBondContact O-N 3.21Å; I87-H91 VanDerWaalsContact O-N 3.15Å
88L95.7Very high95Very high0 Ų071.4 Ų71.40%036%0.356CS..Hα-helixtrans-68.1-37.3-179.4178.758.9000112.8P16 T17 P19 D86 E90 H91 H92 N93 R94 L95 Y122P16-L88 HydrophobicContact CB-CD2 3.9Å; P16-L88 HydrophobicContact CG-CD2 3.6Å; T17-L88 WeakPolarHBondContact O-CB 3.44Å; T17-L88 PolarHBondContact O-N 2.88Å; P19-L88 HydrophobicContact CB-CD1 4.33Å; D86-L88 PolarHBondContact O-N 2.96Å; D86-L88 PolarHBondContact OD1-N 3.46Å; L88-E90 VanDerWaalsContact C-N 3.32Å; L88-H91 CarbonylContact O-C 3.6Å; L88-H91 PolarHBondContact O-N 2.86Å; L88-H92 PolarHBondContact O-N 2.9Å; L88-N93 PolarHBondContact O-N 3.21Å; L88-R94 WeakPolarHBondContact CD1-O 3.47Å; L88-L95 HydrophobicContact CD1-CD2 3.82Å; L88-L95 HydrophobicContact CD1-CG 4.09Å; L88-L95 HydrophobicContact CD2-CD2 3.83Å; L88-L95 HydrophobicContact CD2-CG 4.47Å; L88-Y122 HydrophobicContact CD2-CD1 4.04Å; L88-Y122 HydrophobicContact CD2-CE1 3.65Å
89E92.8Very high95Very high121 Ų12172.8 Ų72.857%0.56537%0.373SS*.Hα-helixtrans-63-40.6173.8-178.8166.2-142.900111.3D86 H91 H92D86-E89 HydrophobicContact CB-CB 4.38Å; D86-E89 PolarHBondContact O-N 2.96Å; D86-E89 PolarHBondContact OD1-N 3.26Å; D86-E89 VanDerWaalsContact OD1-N 3.12Å; D86-E89 VanDerWaalsContact OD2-CB 3.29Å; D86-E89 WeakPolarHBondContact OD2-CB 3.32Å; E89-H91 PolarHBondContact O-N 3.29Å; E89-H92 WeakPolarHBondContact O-CA 3.43Å; E89-H92 PolarHBondContact O-N 3.49Å
90E90.9Very high95Very high133 Ų13375.2 Ų75.262%0.62138%0.38SS*.Hα-helixtrans-61.2-32.5174.6-59-177170.100112.3I87 L88 H92I87-E90 WeakPolarHBondContact O-CB 3.49Å; I87-E90 PolarHBondContact O-N 2.96Å; L88-E90 VanDerWaalsContact C-N 3.32Å; E90-H92 PolarHBondContact O-N 3.43Å
91H91.3Very high95Very high98 Ų9883.5 Ų83.545%0.45441%0.408SS..THydrogen-bonded Turntrans-84.917.3172.1-67.2-64.6000114.1I87 L88 E89 N93 R94I87-H91 PolarHBondContact O-CD2 3.32Å; I87-H91 PolarHBondContact O-N 3.21Å; I87-H91 VanDerWaalsContact O-N 3.15Å; L88-H91 CarbonylContact O-C 3.6Å; L88-H91 PolarHBondContact O-N 2.86Å; E89-H91 PolarHBondContact O-N 3.29Å; H91-N93 VanDerWaalsContact C-N 3.31Å; H91-N93 PolarHBondContact O-N 3.17Å; H91-R94 VanDerWaalsContact O-CB 3.23Å; H91-R94 WeakPolarHBondContact O-CB 3.31Å; H91-R94 PolarHBondContact O-N 3.05Å
92H93.7Very high95Very high155 Ų15576.7 Ų76.772%0.71838%0.383SS*.THydrogen-bonded Turntrans5542.4178.9-54.3-59.8000113.5L88 E89 E90 R94L88-H92 PolarHBondContact O-N 2.9Å; E89-H92 WeakPolarHBondContact O-CA 3.43Å; E89-H92 PolarHBondContact O-N 3.49Å; E90-H92 PolarHBondContact O-N 3.43Å; H92-R94 PolarHBondContact O-N 2.8Å
93N94.8Very high95.1Very high60 Ų6073.8 Ų73.832%0.32137%0.37SS..THydrogen-bonded Turntrans59.430.1-179.8-62.3-50.6000113.9L88 H91 Y122 K123L88-N93 PolarHBondContact O-N 3.21Å; H91-N93 VanDerWaalsContact C-N 3.31Å; H91-N93 PolarHBondContact O-N 3.17Å; N93-Y122 HydrophobicContact CB-CD1 3.93Å; N93-Y122 HydrophobicContact CB-CE1 4.23Å; N93-K123 PolarHBondContact O-N 3.25Å
94R96.9Very high95.2Very high111 Ų11177 Ų7742%0.41938%0.378SS..EExtended strand (participates in β ladder)trans-96.4119.5175.4-174.5175.6-74.4-84.75.2110.5L88 H91 H92 K123 F124L88-R94 WeakPolarHBondContact CD1-O 3.47Å; H91-R94 VanDerWaalsContact O-CB 3.23Å; H91-R94 WeakPolarHBondContact O-CB 3.31Å; H91-R94 PolarHBondContact O-N 3.05Å; H92-R94 PolarHBondContact O-N 2.8Å; R94-K123 CarbonylContact C-O 3.52Å; R94-K123 WeakPolarHBondContact CA-O 3.36Å; R94-F124 PolarHBondContact NH1-O 3.29Å
95L97.4Very high95.2Very high0 Ų081.3 Ų81.30%040%0.4CS..EExtended strand (participates in β ladder)trans-94.2138.7177.1-66.2161.3000110.1P19 I21 L88 L117 Y122 K123 F124 S125P19-L95 CarbonylContact O-C 3.46Å; P19-L95 VanDerWaalsContact O-CA 3.3Å; P19-L95 WeakPolarHBondContact O-CA 3.49Å; I21-L95 HydrophobicContact CD1-CB 4.32Å; I21-L95 HydrophobicContact CD1-CD1 4.15Å; I21-L95 HydrophobicContact CD1-CD2 4.37Å; I21-L95 HydrophobicContact CG1-CD2 4.36Å; L88-L95 HydrophobicContact CD1-CD2 3.82Å; L88-L95 HydrophobicContact CD1-CG 4.09Å; L88-L95 HydrophobicContact CD2-CD2 3.83Å; L88-L95 HydrophobicContact CD2-CG 4.47Å; L95-L117 HydrophobicContact CD1-CD1 3.76Å; L95-Y122 HydrophobicContact CD1-CD1 4.09Å; L95-Y122 HydrophobicContact CD1-CG 3.92Å; L95-Y122 HydrophobicContact CG-CD1 4.49Å; L95-K123 PolarHBondContact N-O 3.45Å; L95-F124 HydrophobicContact CB-CD1 3.99Å; L95-F124 HydrophobicContact CB-CE1 4.06Å; L95-F124 HydrophobicContact CD1-CE1 3.82Å; L95-F124 HydrophobicContact CD1-CZ 4.31Å; L95-F124 WeakPolarHBondContact O-CA 3.41Å; L95-S125 PolarHBondContact O-N 3.3Å; L95-S125 PolarHBondContact O-OG 3.16Å
96H96.3Very high95.3Very high93 Ų9375.7 Ų75.743%0.43137%0.373SS..EExtended strand (participates in β ladder)trans-105.7128.7173.6-179.553.1000109.9P19 I21 S125P19-H96 PolarHBondContact O-N 3.45Å; I21-H96 PolarHBondContact N-O 3.23Å; H96-S125 PolarHBondContact ND1-O 3.05Å
97I96.4Very high95.5Very high32 Ų3278.7 Ų78.716%0.16439%0.386CS..EExtended strand (participates in β ladder)trans-94.9115.2177.4-56.2-172.1000108.5V23 Y100 V110 F124V23-I97 HydrophobicContact CG2-CG2 3.35Å; I97-Y100 HydrophobicContact CG2-CG 4.41Å; I97-V110 HydrophobicContact CD1-CG1 3.64Å; I97-F124 HydrophobicContact CD1-CD1 4.13Å; I97-F124 HydrophobicContact CG1-CD1 4.31Å
98S96.6Very high95.5Very high16 Ų1679.6 Ų79.611%0.11240%0.4CS..EExtended strand (participates in β ladder)trans-109.1150.5-179.474.40000111.9E20 I21 N22 V23 Y100E20-S98 WeakPolarHBondContact OE1-CB 3.23Å; E20-S98 PolarHBondContact OE1-OG 3.34Å; I21-S98 PolarHBondContact O-N 3.05Å; I21-S98 PolarHBondContact O-OG 2.79Å; N22-S98 WeakPolarHBondContact CA-OG 3.34Å; V23-S98 PolarHBondContact N-O 3.43Å; S98-Y100 PolarHBondContact O-N 3.46Å
99G96.3Very high95.6Very high43 Ų4380.6 Ų80.644%0.44341%0.406SS..SBendtrans70.68176.300000115.9R101G99-R101 PolarHBondContact O-N 3.23Å
100Y95.8Very high95.9Very high88 Ų8875.1 Ų75.135%0.34538%0.38SS..  trans-68.8123.1179.3-176.9-143000111.9V23 I97 S98 A102 E106 K107 V110V23-Y100 HydrophobicContact CG1-CD2 4.33Å; V23-Y100 HydrophobicContact CG2-CD2 4.46Å; I97-Y100 HydrophobicContact CG2-CG 4.41Å; S98-Y100 PolarHBondContact O-N 3.46Å; Y100-A102 HydrophobicContact CE1-CB 4.22Å; Y100-A102 HydrophobicContact CE2-CB 4.21Å; Y100-E106 HydrophobicContact CD2-CB 3.94Å; Y100-E106 WeakPolarHBondContact CD2-OE2 3.49Å; Y100-E106 HydrophobicContact CE2-CB 3.69Å; Y100-K107 WeakPolarHBondContact OH-CA 3.48Å; Y100-K107 WeakPolarHBondContact OH-CG 3.45Å; Y100-V110 HydrophobicContact CD2-CG2 4.05Å; Y100-V110 HydrophobicContact CE2-CB 4.34Å; Y100-V110 HydrophobicContact CE2-CG2 3.95Å
101R95.4Very high96.2Very high201 Ų20173.7 Ų73.776%0.75838%0.377SS*.  trans-106-4.1-178.8-59.2178.9-179.1-174.40.5113.1G99 T103 E106G99-R101 PolarHBondContact O-N 3.23Å; R101-T103 VanDerWaalsContact C-N 3.28Å; R101-T103 HydrophobicContact CB-CG2 4.46Å; R101-T103 PolarHBondContact O-N 2.66Å; R101-E106 VanDerWaalsContact CA-OE2 3.32Å; R101-E106 WeakPolarHBondContact CA-OE2 3.12Å; R101-E106 WeakPolarHBondContact CB-OE2 3.43Å; R101-E106 PolarHBondContact N-OE2 3.1Å
102A92.9Very high96.5Very high41 Ų4172 Ų7234%0.33937%0.37SS..  trans59.236.3176.100000113.7Y100 E106 K107Y100-A102 HydrophobicContact CE1-CB 4.22Å; Y100-A102 HydrophobicContact CE2-CB 4.21Å; A102-E106 PolarHBondContact N-OE2 2.56Å; A102-E106 VanDerWaalsContact N-OE2 3.12Å; A102-K107 WeakPolarHBondContact O-CE 3.43Å; A102-K107 PolarHBondContact O-NZ 2.75Å
103T96.8Very high96.7Very high64 Ų6464.8 Ų64.839%0.39334%0.336SS..  trans-66.2161.4162.368.50000109.6R101 D105 E106 K107R101-T103 VanDerWaalsContact C-N 3.28Å; R101-T103 HydrophobicContact CB-CG2 4.46Å; R101-T103 PolarHBondContact O-N 2.66Å; T103-D105 VanDerWaalsContact C-N 3.28Å; T103-D105 PolarHBondContact O-N 3.36Å; T103-E106 PolarHBondContact O-N 2.84Å; T103-E106 WeakPolarHBondContact OG1-CB 3.06Å; T103-E106 VanDerWaalsContact OG1-CG 3.27Å; T103-E106 WeakPolarHBondContact OG1-CG 3.39Å; T103-E106 PolarHBondContact OG1-N 3.36Å; T103-K107 WeakPolarHBondContact O-CB 3.2Å; T103-K107 WeakPolarHBondContact O-CG 3.25Å; T103-K107 PolarHBondContact O-N 3.4Å
104D96.8Very high96.8Very high129 Ų12963.5 Ų63.569%0.6933%0.329SS*.Hα-helixtrans-62.5-38-178.2-64.8-23.7000112.1K107 A108D104-K107 PolarHBondContact O-N 3.38Å; D104-K107 IonicContact OD1-NZ 3.86Å; D104-A108 PolarHBondContact O-N 3.07Å; D104-A108 VanDerWaalsContact O-N 3.11Å
105D96.1Very high96.9Very high119 Ų11960.4 Ų60.464%0.63633%0.325SS*.Hα-helixtrans-65.2-46.3175-67.1-20.2000112M27 T103 K107 A108 V109M27-D105 HydrophobicContact CE-CB 3.99Å; T103-D105 VanDerWaalsContact C-N 3.28Å; T103-D105 PolarHBondContact O-N 3.36Å; D105-K107 VanDerWaalsContact C-N 3.33Å; D105-K107 PolarHBondContact O-N 3.11Å; D105-A108 PolarHBondContact O-N 3.21Å; D105-V109 WeakPolarHBondContact O-CG2 3.38Å; D105-V109 PolarHBondContact O-N 3.16Å; D105-V109 VanDerWaalsContact O-N 3.1Å
106E97.9Very high96.9Very high19 Ų1961.1 Ų61.19%0.08933%0.331CS..Hα-helixtrans-65.3-38.7178.7-72.5177.6-176.400111.4V23 M27 Y100 R101 A102 T103 V109 V110V23-E106 HydrophobicContact CG1-CB 4.32Å; V23-E106 HydrophobicContact CG1-CG 3.9Å; M27-E106 HydrophobicContact CE-CG 4.14Å; M27-E106 HydrophobicContact CG-CG 4.05Å; M27-E106 HydrophobicContact SD-CG 4.17Å; Y100-E106 HydrophobicContact CD2-CB 3.94Å; Y100-E106 WeakPolarHBondContact CD2-OE2 3.49Å; Y100-E106 HydrophobicContact CE2-CB 3.69Å; R101-E106 VanDerWaalsContact CA-OE2 3.32Å; R101-E106 WeakPolarHBondContact CA-OE2 3.12Å; R101-E106 WeakPolarHBondContact CB-OE2 3.43Å; R101-E106 PolarHBondContact N-OE2 3.1Å; A102-E106 PolarHBondContact N-OE2 2.56Å; A102-E106 VanDerWaalsContact N-OE2 3.12Å; T103-E106 PolarHBondContact O-N 2.84Å; T103-E106 WeakPolarHBondContact OG1-CB 3.06Å; T103-E106 VanDerWaalsContact OG1-CG 3.27Å; T103-E106 WeakPolarHBondContact OG1-CG 3.39Å; T103-E106 PolarHBondContact OG1-N 3.36Å; E106-V109 PolarHBondContact O-N 2.9Å; E106-V110 VanDerWaalsContact O-CB 3.29Å; E106-V110 WeakPolarHBondContact O-CB 3.42Å; E106-V110 VanDerWaalsContact O-CG2 3.27Å; E106-V110 WeakPolarHBondContact O-CG2 3.47Å; E106-V110 PolarHBondContact O-N 3.22Å
107K97.8Very high96.9Very high84 Ų8456.7 Ų56.737%0.36531%0.31SS..Hα-helixtrans-57.3-51175.2-80.7166.6-179.2162.70111Y100 A102 T103 D104 D105 V109 V110 D111Y100-K107 WeakPolarHBondContact OH-CA 3.48Å; Y100-K107 WeakPolarHBondContact OH-CG 3.45Å; A102-K107 WeakPolarHBondContact O-CE 3.43Å; A102-K107 PolarHBondContact O-NZ 2.75Å; T103-K107 WeakPolarHBondContact O-CB 3.2Å; T103-K107 WeakPolarHBondContact O-CG 3.25Å; T103-K107 PolarHBondContact O-N 3.4Å; D104-K107 PolarHBondContact O-N 3.38Å; D104-K107 IonicContact OD1-NZ 3.86Å; D105-K107 VanDerWaalsContact C-N 3.33Å; D105-K107 PolarHBondContact O-N 3.11Å; K107-V109 VanDerWaalsContact C-N 3.33Å; K107-V109 PolarHBondContact O-N 2.92Å; K107-V110 PolarHBondContact O-N 3.44Å; K107-D111 VanDerWaalsContact O-CB 3.28Å; K107-D111 WeakPolarHBondContact O-CB 3.27Å; K107-D111 VanDerWaalsContact O-CG 3.23Å; K107-D111 PolarHBondContact O-N 2.97Å
108A97.6Very high97Very high64 Ų6457.8 Ų57.853%0.52932%0.324SS..Hα-helixtrans-59.7-4418000000112D104 D105 E112D104-A108 PolarHBondContact O-N 3.07Å; D104-A108 VanDerWaalsContact O-N 3.11Å; D105-A108 PolarHBondContact O-N 3.21Å; A108-E112 WeakPolarHBondContact O-CB 3.29Å; A108-E112 PolarHBondContact O-N 3.15Å; A108-E112 VanDerWaalsContact O-N 3.09Å
109V98.1Very high96.9Very high22 Ų2264.9 Ų64.913%0.13335%0.353CS..Hα-helixtrans-65.8-46.6178.5166.80000111.9L26 M27 L30 V69 D105 E106 K107 E112 L113L26-V109 HydrophobicContact CD2-CG1 3.73Å; L26-V109 HydrophobicContact CG-CG1 4.16Å; M27-V109 HydrophobicContact CE-CG2 4.22Å; M27-V109 HydrophobicContact SD-CB 3.88Å; M27-V109 HydrophobicContact SD-CG1 3.86Å; M27-V109 HydrophobicContact SD-CG2 3.78Å; L30-V109 HydrophobicContact CD1-CB 4.39Å; L30-V109 HydrophobicContact CD1-CG1 3.54Å; L30-V109 HydrophobicContact CD1-CG2 3.87Å; V69-V109 HydrophobicContact CG1-CG1 4.29Å; V69-V109 HydrophobicContact CG1-CG2 4.4Å; V69-V109 HydrophobicContact CG2-CG1 4.19Å; D105-V109 WeakPolarHBondContact O-CG2 3.38Å; D105-V109 PolarHBondContact O-N 3.16Å; D105-V109 VanDerWaalsContact O-N 3.1Å; E106-V109 PolarHBondContact O-N 2.9Å; K107-V109 VanDerWaalsContact C-N 3.33Å; K107-V109 PolarHBondContact O-N 2.92Å; V109-E112 PolarHBondContact O-N 3.36Å; V109-L113 WeakPolarHBondContact O-CB 3.44Å; V109-L113 PolarHBondContact O-N 3.2Å
110V97.9Very high96.8Very high5 Ų566.5 Ų66.53%0.0335%0.345CS..Hα-helixtrans-66.3-40.8-179.8167.50000110.9V23 I97 Y100 E106 K107 L113 N114V23-V110 HydrophobicContact CG1-CG2 4.46Å; V23-V110 HydrophobicContact CG2-CG2 3.98Å; I97-V110 HydrophobicContact CD1-CG1 3.64Å; Y100-V110 HydrophobicContact CD2-CG2 4.05Å; Y100-V110 HydrophobicContact CE2-CB 4.34Å; Y100-V110 HydrophobicContact CE2-CG2 3.95Å; E106-V110 VanDerWaalsContact O-CB 3.29Å; E106-V110 WeakPolarHBondContact O-CB 3.42Å; E106-V110 VanDerWaalsContact O-CG2 3.27Å; E106-V110 WeakPolarHBondContact O-CG2 3.47Å; E106-V110 PolarHBondContact O-N 3.22Å; K107-V110 PolarHBondContact O-N 3.44Å; V110-L113 PolarHBondContact O-N 3.39Å; V110-N114 WeakPolarHBondContact CG1-ND2 3.45Å; V110-N114 WeakPolarHBondContact O-CB 3.44Å; V110-N114 PolarHBondContact O-N 2.86Å; V110-N114 PolarHBondContact O-ND2 3.18Å; V110-N114 PolarHBondContact O-OD1 2.93Å
111D97.7Very high96.8Very high103 Ų10364.7 Ų64.755%0.55135%0.354SS*.Hα-helixtrans-64-42.4177.6-74.9-15.9000111.6K107 N114 S115K107-D111 VanDerWaalsContact O-CB 3.28Å; K107-D111 WeakPolarHBondContact O-CB 3.27Å; K107-D111 VanDerWaalsContact O-CG 3.23Å; K107-D111 PolarHBondContact O-N 2.97Å; D111-N114 PolarHBondContact O-N 3.27Å; D111-S115 VanDerWaalsContact O-CB 3.28Å; D111-S115 WeakPolarHBondContact O-CB 3.35Å; D111-S115 PolarHBondContact O-N 3.47Å
112E97.9Very high96.9Very high64 Ų6456 Ų5630%0.29932%0.321SS..Hα-helixtrans-63.5-47.9175.9-174.954.6-131.200111.3H71 A108 V109 N114 S115 A116H71-E112 VanDerWaalsContact CE1-CD 3.49Å; H71-E112 IonicContact CE1-OE1 3.06Å; H71-E112 PolarHBondContact CE1-OE1 2.7Å; H71-E112 IonicContact ND1-OE1 2.66Å; A108-E112 WeakPolarHBondContact O-CB 3.29Å; A108-E112 PolarHBondContact O-N 3.15Å; A108-E112 VanDerWaalsContact O-N 3.09Å; V109-E112 PolarHBondContact O-N 3.36Å; E112-N114 PolarHBondContact O-N 3.37Å; E112-S115 WeakPolarHBondContact O-CB 3.46Å; E112-S115 PolarHBondContact O-N 3.2Å; E112-A116 WeakPolarHBondContact O-CB 3.45Å; E112-A116 PolarHBondContact O-N 3.12Å
113L98Very high97Very high3 Ų359.9 Ų59.92%0.01633%0.33CS..Hα-helixtrans-61.1-45.3178.1-177.157.2000111.6I21 L26 Y65 L68 V69 V109 V110 S115 A116 L117I21-L113 HydrophobicContact CD1-CD2 4.03Å; I21-L113 HydrophobicContact CG2-CD2 4.03Å; L26-L113 HydrophobicContact CD2-CD2 3.63Å; Y65-L113 HydrophobicContact CD1-CD1 4.16Å; Y65-L113 HydrophobicContact CG-CD1 4.43Å; Y65-L113 HydrophobicContact CG-CD2 4.33Å; L68-L113 HydrophobicContact CB-CD1 4.05Å; L68-L113 HydrophobicContact CD1-CD1 3.99Å; V69-L113 HydrophobicContact CG2-CB 3.77Å; V69-L113 HydrophobicContact CG2-CD1 4.25Å; V69-L113 HydrophobicContact CG2-CG 4.46Å; V109-L113 WeakPolarHBondContact O-CB 3.44Å; V109-L113 PolarHBondContact O-N 3.2Å; V110-L113 PolarHBondContact O-N 3.39Å; L113-S115 VanDerWaalsContact C-N 3.34Å; L113-S115 PolarHBondContact O-N 3.37Å; L113-A116 PolarHBondContact O-N 2.73Å; L113-L117 HydrophobicContact CD1-CD1 3.65Å; L113-L117 HydrophobicContact CD1-CG 4.06Å; L113-L117 HydrophobicContact CG-CD1 3.78Å; L113-L117 WeakPolarHBondContact O-CB 3.35Å; L113-L117 WeakPolarHBondContact O-CG 3.36Å; L113-L117 PolarHBondContact O-N 3.4Å
114N97.4Very high96.9Very high33 Ų3359.3 Ų59.318%0.17632%0.322CS..Hα-helixtrans-61.6-43.3178.4-74.1-8.4000111.1V110 D111 E112 L117 A118 F124V110-N114 WeakPolarHBondContact CG1-ND2 3.45Å; V110-N114 WeakPolarHBondContact O-CB 3.44Å; V110-N114 PolarHBondContact O-N 2.86Å; V110-N114 PolarHBondContact O-ND2 3.18Å; V110-N114 PolarHBondContact O-OD1 2.93Å; D111-N114 PolarHBondContact O-N 3.27Å; E112-N114 PolarHBondContact O-N 3.37Å; N114-L117 PolarHBondContact O-N 3.48Å; N114-A118 WeakPolarHBondContact O-CB 3.35Å; N114-A118 PolarHBondContact O-N 3.23Å; N114-F124 HydrophobicContact CB-CD2 4.28Å; N114-F124 HydrophobicContact CB-CE1 4.47Å; N114-F124 HydrophobicContact CB-CE2 3.85Å; N114-F124 HydrophobicContact CB-CZ 3.98Å; N114-F124 VanDerWaalsContact OD1-CD1 3.25Å; N114-F124 WeakPolarHBondContact OD1-CD1 3.39Å; N114-F124 WeakPolarHBondContact OD1-CE1 3.21Å; N114-F124 VanDerWaalsContact OD1-CZ 3.31Å; N114-F124 WeakPolarHBondContact OD1-CZ 3.21Å
115S97.4Very high96.3Very high46 Ų4658.2 Ų58.232%0.32233%0.325SS..Hα-helixtrans-60.1-45.7174.81800000111.7D111 E112 L113 L117 K119D111-S115 VanDerWaalsContact O-CB 3.28Å; D111-S115 WeakPolarHBondContact O-CB 3.35Å; D111-S115 PolarHBondContact O-N 3.47Å; E112-S115 WeakPolarHBondContact O-CB 3.46Å; E112-S115 PolarHBondContact O-N 3.2Å; L113-S115 VanDerWaalsContact C-N 3.34Å; L113-S115 PolarHBondContact O-N 3.37Å; S115-L117 PolarHBondContact O-N 3.36Å; S115-K119 WeakPolarHBondContact O-CD 3.44Å; S115-K119 VanDerWaalsContact O-CG 3.26Å; S115-K119 WeakPolarHBondContact O-CG 3.02Å; S115-K119 PolarHBondContact O-N 3.41Å; S115-K119 PolarHBondContact OG-NZ 3.33Å
116A97.4Very high96.3Very high15 Ų1555.2 Ų55.212%0.12431%0.309CS..Hα-helixtrans-64.5-38.9-179.400000112.9L68 E112 L113 R120L68-A116 HydrophobicContact CB-CB 4.45Å; E112-A116 WeakPolarHBondContact O-CB 3.45Å; E112-A116 PolarHBondContact O-N 3.12Å; L113-A116 PolarHBondContact O-N 2.73Å; A116-R120 WeakPolarHBondContact O-CD 3.4Å; A116-R120 WeakPolarHBondContact O-CG 3.27Å; A116-R120 PolarHBondContact O-NE 2.9Å
117L97.5Very high96.2Very high0 Ų057.1 Ų57.10%032%0.321CS..Hα-helixtrans-84-36.8-178.3-74.3172000112.6I21 Y65 L68 L95 L113 N114 S115 K119 R120 G121 Y122 F124I21-L117 HydrophobicContact CD1-CD1 4.08Å; Y65-L117 HydrophobicContact CD1-CD1 4.37Å; Y65-L117 HydrophobicContact CE1-CD1 4.29Å; L68-L117 HydrophobicContact CD1-CD2 3.67Å; L68-L117 HydrophobicContact CD1-CG 3.96Å; L95-L117 HydrophobicContact CD1-CD1 3.76Å; L113-L117 HydrophobicContact CD1-CD1 3.65Å; L113-L117 HydrophobicContact CD1-CG 4.06Å; L113-L117 HydrophobicContact CG-CD1 3.78Å; L113-L117 WeakPolarHBondContact O-CB 3.35Å; L113-L117 WeakPolarHBondContact O-CG 3.36Å; L113-L117 PolarHBondContact O-N 3.4Å; N114-L117 PolarHBondContact O-N 3.48Å; S115-L117 PolarHBondContact O-N 3.36Å; L117-K119 VanDerWaalsContact C-N 3.28Å; L117-K119 PolarHBondContact O-N 3.47Å; L117-R120 CarbonylContact O-C 3.56Å; L117-R120 WeakPolarHBondContact O-CA 3.38Å; L117-R120 WeakPolarHBondContact O-CB 3.32Å; L117-R120 PolarHBondContact O-N 2.91Å; L117-G121 PolarHBondContact O-N 2.97Å; L117-Y122 HydrophobicContact CB-CD2 4Å; L117-Y122 HydrophobicContact CB-CG 4.45Å; L117-Y122 HydrophobicContact CD2-CD2 3.66Å; L117-Y122 HydrophobicContact CD2-CE2 3.98Å; L117-Y122 HydrophobicContact CD2-CG 4.47Å; L117-Y122 HydrophobicContact CG-CD2 4.42Å; L117-Y122 WeakPolarHBondContact O-CD2 3.09Å; L117-Y122 PolarHBondContact O-N 2.86Å; L117-F124 HydrophobicContact CB-CZ 3.75Å; L117-F124 HydrophobicContact CD1-CE1 4.23Å; L117-F124 HydrophobicContact CD1-CZ 4.2Å
118A96.7Very high96.2Very high54 Ų5455.6 Ų55.645%0.44632%0.318SS..Hα-helixtrans-59.8-39.1175.500000111.8N114 R120 G121 F124N114-A118 WeakPolarHBondContact O-CB 3.35Å; N114-A118 PolarHBondContact O-N 3.23Å; A118-R120 PolarHBondContact O-N 3Å; A118-G121 PolarHBondContact O-N 3.04Å; A118-F124 HydrophobicContact CB-CE2 4.34Å
119K95.6Very high96.1Very high165 Ų16555.1 Ų55.172%0.71731%0.306SS*.THydrogen-bonded Turntrans-59.7-16.1173-71.6167.9-171.1165.20113.6S115 L117S115-K119 WeakPolarHBondContact O-CD 3.44Å; S115-K119 VanDerWaalsContact O-CG 3.26Å; S115-K119 WeakPolarHBondContact O-CG 3.02Å; S115-K119 PolarHBondContact O-N 3.41Å; S115-K119 PolarHBondContact OG-NZ 3.33Å; L117-K119 VanDerWaalsContact C-N 3.28Å; L117-K119 PolarHBondContact O-N 3.47Å
120R94.4Very high95.9Very high78 Ų7857.1 Ų57.129%0.29432%0.316SS..THydrogen-bonded Turntrans-105.44.6179.9-55.9170.5-175.9-146.6-3.3112.8T11 A116 L117 A118 Y122T11-R120 PolarHBondContact O-NH1 3.46Å; A116-R120 WeakPolarHBondContact O-CD 3.4Å; A116-R120 WeakPolarHBondContact O-CG 3.27Å; A116-R120 PolarHBondContact O-NE 2.9Å; L117-R120 CarbonylContact O-C 3.56Å; L117-R120 WeakPolarHBondContact O-CA 3.38Å; L117-R120 WeakPolarHBondContact O-CB 3.32Å; L117-R120 PolarHBondContact O-N 2.91Å; A118-R120 PolarHBondContact O-N 3Å; R120-Y122 HydrophobicContact CB-CD2 3.98Å; R120-Y122 HydrophobicContact CB-CE2 3.92Å
121G95Very high95.8Very high50 Ų5060.6 Ų60.652%0.51534%0.335SS..THydrogen-bonded Turntrans95.72.8175.900000115.5L117 A118L117-G121 PolarHBondContact O-N 2.97Å; A118-G121 PolarHBondContact O-N 3.04Å
122Y96.9Very high95.7Very high17 Ų1757.6 Ų57.67%0.06732%0.32CS..  trans-76.9149.8175.8-61.5-72.5000112.1R15 P16 L88 N93 L95 L117 R120R15-Y122 WeakPolarHBondContact CB-OH 3.28Å; P16-Y122 WeakPolarHBondContact CD-OH 3.48Å; P16-Y122 HydrophobicContact CG-CE1 3.99Å; P16-Y122 HydrophobicContact CG-CE2 4.39Å; L88-Y122 HydrophobicContact CD2-CD1 4.04Å; L88-Y122 HydrophobicContact CD2-CE1 3.65Å; N93-Y122 HydrophobicContact CB-CD1 3.93Å; N93-Y122 HydrophobicContact CB-CE1 4.23Å; L95-Y122 HydrophobicContact CD1-CD1 4.09Å; L95-Y122 HydrophobicContact CD1-CG 3.92Å; L95-Y122 HydrophobicContact CG-CD1 4.49Å; L117-Y122 HydrophobicContact CB-CD2 4Å; L117-Y122 HydrophobicContact CB-CG 4.45Å; L117-Y122 HydrophobicContact CD2-CD2 3.66Å; L117-Y122 HydrophobicContact CD2-CE2 3.98Å; L117-Y122 HydrophobicContact CD2-CG 4.47Å; L117-Y122 HydrophobicContact CG-CD2 4.42Å; L117-Y122 WeakPolarHBondContact O-CD2 3.09Å; L117-Y122 PolarHBondContact O-N 2.86Å; R120-Y122 HydrophobicContact CB-CD2 3.98Å; R120-Y122 HydrophobicContact CB-CE2 3.92Å
123K95.9Very high95.5Very high123 Ų12357.1 Ų57.154%0.53532%0.322SS..EExtended strand (participates in β ladder)trans-118.5160.5176.2-62.2175-1741710109.6N93 R94 L95N93-K123 PolarHBondContact O-N 3.25Å; R94-K123 CarbonylContact C-O 3.52Å; R94-K123 WeakPolarHBondContact CA-O 3.36Å; L95-K123 PolarHBondContact N-O 3.45Å
124F94.1Very high95.3Very high52 Ų5261.6 Ų61.623%0.22835%0.347CS..EExtended strand (participates in β ladder)trans-121146.1179.9-55.4-82.5000110.5R94 L95 I97 N114 L117 A118R94-F124 PolarHBondContact NH1-O 3.29Å; L95-F124 HydrophobicContact CB-CD1 3.99Å; L95-F124 HydrophobicContact CB-CE1 4.06Å; L95-F124 HydrophobicContact CD1-CE1 3.82Å; L95-F124 HydrophobicContact CD1-CZ 4.31Å; L95-F124 WeakPolarHBondContact O-CA 3.41Å; I97-F124 HydrophobicContact CD1-CD1 4.13Å; I97-F124 HydrophobicContact CG1-CD1 4.31Å; N114-F124 HydrophobicContact CB-CD2 4.28Å; N114-F124 HydrophobicContact CB-CE1 4.47Å; N114-F124 HydrophobicContact CB-CE2 3.85Å; N114-F124 HydrophobicContact CB-CZ 3.98Å; N114-F124 VanDerWaalsContact OD1-CD1 3.25Å; N114-F124 WeakPolarHBondContact OD1-CD1 3.39Å; N114-F124 WeakPolarHBondContact OD1-CE1 3.21Å; N114-F124 VanDerWaalsContact OD1-CZ 3.31Å; N114-F124 WeakPolarHBondContact OD1-CZ 3.21Å; L117-F124 HydrophobicContact CB-CZ 3.75Å; L117-F124 HydrophobicContact CD1-CE1 4.23Å; L117-F124 HydrophobicContact CD1-CZ 4.2Å; A118-F124 HydrophobicContact CB-CE2 4.34Å
125S85.3Confident95.1Very high106 Ų10664.2 Ų64.274%0.74136%0.363SS*.  trans-1300170.846.60000112.2L95 H96L95-S125 PolarHBondContact O-N 3.3Å; L95-S125 PolarHBondContact O-OG 3.16Å; H96-S125 PolarHBondContact ND1-O 3.05Å

Retrieved 125 of 125 residues in 38.2 ms (Link to these results)

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