A0A087YR40_POEFO Loading...

Zgc:112163

AlphaFold DB , UniProt , Accession A0A087YR40, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 240 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
1M31.5Very low60.3Low237 Ų23791.5 Ų91.5100%1.16746%0.457SS*.  096.50-75.5179.1-73.800106.6
2I32.8Very low63Low131 Ų13184.9 Ų84.967%0.67242%0.424SS*.  trans-92.598.9175.4-64.9166.4000103.9S4I2-S4 PolarHBondContact O-N 2.76Å
3E34.2Very low65.3Low178 Ų17878.6 Ų78.683%0.83239%0.393SS*.  trans-60.9120.8170.2-78.6176149.300108.5
4S39.7Very low67.5Low81 Ų8173 Ų7357%0.56637%0.365SS*.  trans55.1110.2152.563.70000118.6I2 T6I2-S4 PolarHBondContact O-N 2.76Å; S4-T6 WeakPolarHBondContact CB-OG1 3.45Å; S4-T6 PolarHBondContact O-N 3.13Å; S4-T6 PolarHBondContact O-OG1 3.16Å; S4-T6 VanDerWaalsContact O-OG1 3.11Å; S4-T6 PolarHBondContact OG-OG1 3.22Å
5W47.3Very low69.4Low128 Ų12870.3 Ų70.349%0.48535%0.352SS..  trans-66.642.2159.9-63.685.7000112.3N7 K8 L41 L44W5-N7 PolarHBondContact O-N 3.29Å; W5-K8 PolarHBondContact O-N 3.27Å; W5-L41 HydrophobicContact CE3-CD2 4.5Å; W5-L41 HydrophobicContact CZ3-CD2 4.04Å; W5-L44 HydrophobicContact CH2-CD1 3.8Å; W5-L44 HydrophobicContact CZ3-CD1 4.28Å
6T56.6Low70.9Confident87 Ų8768.9 Ų68.953%0.53435%0.346SS..THydrogen-bonded Turntrans-60.2-22.7-156.1-30.20000114.6S4S4-T6 WeakPolarHBondContact CB-OG1 3.45Å; S4-T6 PolarHBondContact O-N 3.13Å; S4-T6 PolarHBondContact O-OG1 3.16Å; S4-T6 VanDerWaalsContact O-OG1 3.11Å; S4-T6 PolarHBondContact OG-OG1 3.22Å
7N71.8Confident72.2Confident18 Ų1865.6 Ų65.610%0.09633%0.333CS..THydrogen-bonded Turntrans-120.611-173.6-56.1-0.2000113.4W5 E9 E10 V11 Y24 S26W5-N7 PolarHBondContact O-N 3.29Å; N7-E9 PolarHBondContact O-N 3.42Å; N7-E10 PolarHBondContact O-N 3.38Å; N7-E10 VanDerWaalsContact O-N 3.14Å; N7-V11 WeakPolarHBondContact O-CG2 3.1Å; N7-V11 PolarHBondContact O-N 3.34Å; N7-V11 VanDerWaalsContact O-N 3.1Å; N7-Y24 HydrophobicContact CB-CE2 4.34Å; N7-S26 WeakPolarHBondContact ND2-CB 3.49Å; N7-S26 PolarHBondContact ND2-OG 3.13Å
8K81.8Confident73.4Confident38 Ų3861.9 Ų61.917%0.16532%0.315CS..Hα-helixtrans-56.4-39.9178.9175.4-174.5166.4-172.50111.4W5 E10 V11 L12 L46 W178W5-K8 PolarHBondContact O-N 3.27Å; K8-E10 VanDerWaalsContact C-N 3.32Å; K8-E10 PolarHBondContact O-N 3.43Å; K8-V11 PolarHBondContact O-N 3.17Å; K8-L12 HydrophobicContact CG-CD1 4.22Å; K8-L12 WeakPolarHBondContact O-CG 3.48Å; K8-L12 PolarHBondContact O-N 3.01Å; K8-L46 HydrophobicContact CD-CD1 4.27Å; K8-W178 HydrophobicContact CD-CH2 4.28Å
9E84.2Confident74.3Confident43 Ų4359.8 Ų59.820%0.20130%0.303CS..Hα-helixtrans-61.8-42.9-179.4-10.3-169.415000110.3N7 L12 T13 W178N7-E9 PolarHBondContact O-N 3.42Å; E9-L12 WeakPolarHBondContact O-CB 3.4Å; E9-L12 PolarHBondContact O-N 2.87Å; E9-T13 VanDerWaalsContact O-CG2 3.28Å; E9-T13 WeakPolarHBondContact O-CG2 3.43Å; E9-T13 PolarHBondContact O-N 2.92Å; E9-T13 VanDerWaalsContact O-N 3.09Å; E9-W178 HydrophobicContact CB-CE3 3.68Å; E9-W178 HydrophobicContact CB-CZ3 3.94Å; E9-W178 HydrophobicContact CG-CE3 3.52Å; E9-W178 HydrophobicContact CG-CZ3 3.46Å; E9-W178 VanDerWaalsContact CG-CZ3 3.46Å; E9-W178 WeakPolarHBondContact OE1-CZ3 3.34Å
10E89.5Confident75.3Confident65 Ų6557.5 Ų57.530%0.30429%0.292SS..Hα-helixtrans-65.2-42.8177.1-57.8-173.9135.100111.8N7 K8 L12 T13 V14 L22N7-E10 PolarHBondContact O-N 3.38Å; N7-E10 VanDerWaalsContact O-N 3.14Å; K8-E10 VanDerWaalsContact C-N 3.32Å; K8-E10 PolarHBondContact O-N 3.43Å; E10-L12 VanDerWaalsContact C-N 3.3Å; E10-L12 PolarHBondContact O-N 2.92Å; E10-T13 WeakPolarHBondContact O-CB 3.4Å; E10-T13 PolarHBondContact O-N 2.99Å; E10-T13 VanDerWaalsContact O-N 3.09Å; E10-T13 PolarHBondContact O-OG1 3.12Å; E10-V14 PolarHBondContact O-N 2.92Å; E10-L22 HydrophobicContact CB-CD1 3.98Å; E10-L22 HydrophobicContact CB-CD2 3.69Å; E10-L22 HydrophobicContact CB-CG 4.48Å
11V93.7Very high76.3Confident0 Ų054.7 Ų54.70%028%0.278CS..Hα-helixtrans-61.3-41.1174.9-177.90000111.2N7 K8 T13 V14 D15 L22 Y37 L38 L41 V47 L51 I62N7-V11 WeakPolarHBondContact O-CG2 3.1Å; N7-V11 PolarHBondContact O-N 3.34Å; N7-V11 VanDerWaalsContact O-N 3.1Å; K8-V11 PolarHBondContact O-N 3.17Å; V11-T13 PolarHBondContact O-N 3.46Å; V11-V14 WeakPolarHBondContact O-CB 3.36Å; V11-V14 PolarHBondContact O-N 2.83Å; V11-V14 VanDerWaalsContact O-N 3.11Å; V11-D15 PolarHBondContact O-N 2.99Å; V11-L22 HydrophobicContact CG2-CD2 4.01Å; V11-Y37 HydrophobicContact CG2-CE1 3.95Å; V11-L38 HydrophobicContact CG1-CD1 4.44Å; V11-L41 HydrophobicContact CB-CD1 4.31Å; V11-L41 HydrophobicContact CG1-CD1 3.92Å; V11-L41 HydrophobicContact CG2-CD1 4.38Å; V11-V47 HydrophobicContact CG1-CG1 3.95Å; V11-L51 HydrophobicContact CG1-CD1 3.68Å; V11-I62 HydrophobicContact CG1-CD1 4.23Å; V11-I62 HydrophobicContact CG1-CG2 4.37Å; V11-I62 HydrophobicContact CG2-CD1 3.58Å
12L92.8Very high79.3Confident13 Ų1343.9 Ų43.97%0.06823%0.225CC..Hα-helixtrans-60.6-33.5175.3-78170.5000112.1K8 E9 E10 V14 D15 L16 L46 V47 W178 M223K8-L12 HydrophobicContact CG-CD1 4.22Å; K8-L12 WeakPolarHBondContact O-CG 3.48Å; K8-L12 PolarHBondContact O-N 3.01Å; E9-L12 WeakPolarHBondContact O-CB 3.4Å; E9-L12 PolarHBondContact O-N 2.87Å; E10-L12 VanDerWaalsContact C-N 3.3Å; E10-L12 PolarHBondContact O-N 2.92Å; L12-V14 VanDerWaalsContact C-N 3.25Å; L12-V14 PolarHBondContact O-N 2.91Å; L12-D15 PolarHBondContact O-N 3.42Å; L12-L16 WeakPolarHBondContact O-CB 3.36Å; L12-L16 WeakPolarHBondContact O-CG 3.49Å; L12-L16 PolarHBondContact O-N 3.42Å; L12-L46 VanDerWaalsContact CD2-O 3.26Å; L12-L46 WeakPolarHBondContact CD2-O 3.37Å; L12-V47 HydrophobicContact CD2-CG1 4.31Å; L12-W178 HydrophobicContact CD1-CZ2 4.25Å; L12-M223 HydrophobicContact CB-CE 4.03Å
13T93.7Very high82.2Confident3 Ų340.2 Ų40.22%0.01821%0.206CC..Hα-helixtrans-65-32.617772.20000112.4E9 E10 V11 G17 L18 K19 F187 L189 M223E9-T13 VanDerWaalsContact O-CG2 3.28Å; E9-T13 WeakPolarHBondContact O-CG2 3.43Å; E9-T13 PolarHBondContact O-N 2.92Å; E9-T13 VanDerWaalsContact O-N 3.09Å; E10-T13 WeakPolarHBondContact O-CB 3.4Å; E10-T13 PolarHBondContact O-N 2.99Å; E10-T13 VanDerWaalsContact O-N 3.09Å; E10-T13 PolarHBondContact O-OG1 3.12Å; V11-T13 PolarHBondContact O-N 3.46Å; T13-G17 PolarHBondContact O-N 3.46Å; T13-L18 WeakPolarHBondContact O-CB 3.3Å; T13-L18 PolarHBondContact O-N 3.29Å; T13-K19 PolarHBondContact O-N 3.38Å; T13-F187 HydrophobicContact CG2-CE2 3.45Å; T13-F187 VanDerWaalsContact CG2-CE2 3.45Å; T13-F187 HydrophobicContact CG2-CZ 3.89Å; T13-L189 HydrophobicContact CG2-CD2 3.46Å; T13-L189 VanDerWaalsContact CG2-CD2 3.46Å; T13-M223 HydrophobicContact CG2-CE 4.13Å
14V95.6Very high85Confident0 Ų033.5 Ų33.50%017%0.174CC..Hα-helixtrans-74.2-42.8174.4-175.20000110.2E10 V11 L12 L16 G17 K19 L22 L51 N64E10-V14 PolarHBondContact O-N 2.92Å; V11-V14 WeakPolarHBondContact O-CB 3.36Å; V11-V14 PolarHBondContact O-N 2.83Å; V11-V14 VanDerWaalsContact O-N 3.11Å; L12-V14 VanDerWaalsContact C-N 3.25Å; L12-V14 PolarHBondContact O-N 2.91Å; V14-L16 VanDerWaalsContact C-N 3.33Å; V14-L16 PolarHBondContact O-N 3.26Å; V14-G17 PolarHBondContact O-N 2.82Å; V14-K19 WeakPolarHBondContact CA-O 3.46Å; V14-K19 HydrophobicContact CG2-CB 4.31Å; V14-L22 HydrophobicContact CG2-CB 3.6Å; V14-L51 HydrophobicContact CB-CD2 4.25Å; V14-L51 HydrophobicContact CG1-CD2 3.72Å; V14-N64 HydrophobicContact CG1-CB 3.8Å; V14-N64 VanDerWaalsContact CG1-N 3.34Å; V14-N64 WeakPolarHBondContact O-CB 3.33Å; V14-N64 PolarHBondContact O-ND2 3.18Å; V14-N64 VanDerWaalsContact O-ND2 3.09Å
15D95.1Very high87.2Confident32 Ų3235.8 Ų35.817%0.17118%0.18CC..Hα-helixtrans-61.6-41.4178.4-159.342.8000112.4V11 L12 G17 V47 S48 L51 N64V11-D15 PolarHBondContact O-N 2.99Å; L12-D15 PolarHBondContact O-N 3.42Å; D15-G17 PolarHBondContact O-N 3.2Å; D15-V47 HydrophobicContact CB-CB 4.47Å; D15-V47 HydrophobicContact CB-CG1 4.5Å; D15-V47 VanDerWaalsContact OD2-CA 3.25Å; D15-V47 WeakPolarHBondContact OD2-CA 3.45Å; D15-S48 VanDerWaalsContact CG-N 3.29Å; D15-S48 WeakPolarHBondContact OD1-CB 3.49Å; D15-S48 PolarHBondContact OD1-N 2.58Å; D15-S48 PolarHBondContact OD1-OG 3.17Å; D15-S48 PolarHBondContact OD2-N 2.97Å; D15-L51 HydrophobicContact CB-CD1 3.99Å; D15-L51 HydrophobicContact CB-CD2 4.25Å; D15-L51 HydrophobicContact CB-CG 4.29Å; D15-L51 WeakPolarHBondContact OD1-CG 3.4Å; D15-N64 PolarHBondContact O-ND2 2.99Å
16L93.6Very high88.8Confident48 Ų4831 Ų3125%0.25117%0.166SC..THydrogen-bonded Turntrans-72.7-2.9175.5-65.8169.1000113.4L12 V14 L18 Q220 I222 M223L12-L16 WeakPolarHBondContact O-CB 3.36Å; L12-L16 WeakPolarHBondContact O-CG 3.49Å; L12-L16 PolarHBondContact O-N 3.42Å; V14-L16 VanDerWaalsContact C-N 3.33Å; V14-L16 PolarHBondContact O-N 3.26Å; L16-L18 HydrophobicContact CB-CG 4.15Å; L16-L18 PolarHBondContact O-N 2.74Å; L16-Q220 HydrophobicContact CD2-CB 4.21Å; L16-I222 HydrophobicContact CD1-CB 4.05Å; L16-I222 HydrophobicContact CD1-CD1 4.25Å; L16-I222 HydrophobicContact CD1-CG1 4.49Å; L16-I222 HydrophobicContact CD2-CD1 3.83Å; L16-I222 HydrophobicContact CD2-CG1 4.34Å; L16-M223 HydrophobicContact CD1-CE 4.36Å; L16-M223 HydrophobicContact CD1-CG 4.02Å
17G93.3Very high90.1Very high13 Ų1334 Ų3413%0.13418%0.179CC..THydrogen-bonded Turntrans70.112.4-178.700000114.2T13 V14 D15 K19 R216T13-G17 PolarHBondContact O-N 3.46Å; V14-G17 PolarHBondContact O-N 2.82Å; D15-G17 PolarHBondContact O-N 3.2Å; G17-K19 PolarHBondContact O-N 2.85Å; G17-R216 WeakPolarHBondContact O-CD 3.33Å; G17-R216 PolarHBondContact O-NE 3.46Å
18L93.4Very high90.7Very high0 Ų037.9 Ų37.90%021%0.213CC..SBendtrans-66.3-33.4173.7-60.7-179.4000110.6T13 L16 L189 Y190 R216 F217 Q220 M223T13-L18 WeakPolarHBondContact O-CB 3.3Å; T13-L18 PolarHBondContact O-N 3.29Å; L16-L18 HydrophobicContact CB-CG 4.15Å; L16-L18 PolarHBondContact O-N 2.74Å; L18-L189 HydrophobicContact CD1-CD2 4.37Å; L18-Y190 PolarHBondContact O-OH 3.41Å; L18-R216 HydrophobicContact CD2-CB 4.18Å; L18-R216 PolarHBondContact O-NH2 3.38Å; L18-R216 VanDerWaalsContact O-NH2 3.15Å; L18-F217 HydrophobicContact CD1-CD2 4.06Å; L18-F217 HydrophobicContact CD1-CE2 4.32Å; L18-F217 HydrophobicContact CD2-CB 4.24Å; L18-F217 HydrophobicContact CD2-CD2 4.07Å; L18-Q220 HydrophobicContact CD1-CG 4.38Å; L18-Q220 HydrophobicContact CD2-CG 3.94Å; L18-Q220 HydrophobicContact CG-CG 4.42Å; L18-M223 HydrophobicContact CD1-CB 4.34Å; L18-M223 HydrophobicContact CD1-CG 4.04Å
19K91.7Very high91.1Very high22 Ų2237.1 Ų37.110%0.09621%0.214CC..SBendtrans-124.8144.6171.3-55.8-172.370.4167.60111.5T13 V14 G17 L189 Y190T13-K19 PolarHBondContact O-N 3.38Å; V14-K19 WeakPolarHBondContact CA-O 3.46Å; V14-K19 HydrophobicContact CG2-CB 4.31Å; G17-K19 PolarHBondContact O-N 2.85Å; K19-L189 WeakPolarHBondContact CD-O 3.37Å; K19-L189 WeakPolarHBondContact CE-O 3.31Å; K19-L189 PolarHBondContact NZ-O 3.42Å; K19-Y190 WeakPolarHBondContact CA-OH 3.43Å; K19-Y190 HydrophobicContact CD-CE2 4.39Å; K19-Y190 HydrophobicContact CG-CE1 4.36Å; K19-Y190 HydrophobicContact CG-CE2 3.74Å
20P93.8Very high91.4Very high12 Ų1237.7 Ų37.78%0.07822%0.222CC..SBendtrans-72.2-32.9173.124.9-29.6000112.8N64 L68 L145P20-N64 PolarHBondContact O-N 2.88Å; P20-L68 HydrophobicContact CB-CD1 4.37Å; P20-L145 VanDerWaalsContact CG-O 3.27Å; P20-L145 WeakPolarHBondContact CG-O 3.37Å
21A95.9Very high91.6Very high0 Ų034.7 Ų34.70%021%0.208CC..EExtended strand (participates in β ladder)trans-148.7161.5-179.900000113.1L61 I62 I63 L145A21-L61 HydrophobicContact CB-CD2 4.26Å; A21-I62 CarbonylContact C-O 3.53Å; A21-I62 VanDerWaalsContact CA-O 3.27Å; A21-I62 WeakPolarHBondContact CA-O 3.37Å; A21-I63 HydrophobicContact CB-CG2 3.79Å; A21-L145 WeakPolarHBondContact CB-O 3.29Å
22L95Very high91.6Very high10 Ų1039.1 Ų39.15%0.05223%0.229CC..EExtended strand (participates in β ladder)trans-124.3121.5167.7172.165.8000108E10 V11 V14 L61 I62E10-L22 HydrophobicContact CB-CD1 3.98Å; E10-L22 HydrophobicContact CB-CD2 3.69Å; E10-L22 HydrophobicContact CB-CG 4.48Å; V11-L22 HydrophobicContact CG2-CD2 4.01Å; V14-L22 HydrophobicContact CG2-CB 3.6Å; L22-L61 CarbonylContact O-C 3.55Å; L22-L61 WeakPolarHBondContact O-CA 3.48Å; L22-L61 WeakPolarHBondContact O-CB 3.48Å; L22-I62 PolarHBondContact N-O 2.79Å; L22-I62 PolarHBondContact O-N 3.09Å
23L94.3Very high91.7Very high54 Ų5443.3 Ų43.328%0.28325%0.248SC..EExtended strand (participates in β ladder)trans-74.9123.8164.817763.4000108.1N59 L61 F142 L146L23-N59 HydrophobicContact CD1-CB 4.03Å; L23-L61 HydrophobicContact CD1-CG 4.19Å; L23-F142 HydrophobicContact CD1-CE1 3.98Å; L23-L146 HydrophobicContact CB-CD2 4.07Å
24Y92Very high91.7Very high36 Ų3643.2 Ų43.214%0.14125%0.248CC..  trans-96.896.7-179.3-164.5-89.4000109.7N7 S26 A29 L34 G60N7-Y24 HydrophobicContact CB-CE2 4.34Å; Y24-S26 WeakPolarHBondContact CE1-O 3.47Å; Y24-A29 HydrophobicContact CD1-CB 4Å; Y24-A29 HydrophobicContact CE1-CB 3.67Å; Y24-L34 HydrophobicContact CD1-CD1 4.01Å; Y24-L34 HydrophobicContact CD2-CD1 3.69Å; Y24-L34 HydrophobicContact CE1-CD1 4.4Å; Y24-L34 HydrophobicContact CE2-CD1 4.12Å; Y24-L34 HydrophobicContact CG-CD1 3.62Å; Y24-L34 HydrophobicContact CG-CD2 4.29Å; Y24-G60 WeakPolarHBondContact CB-O 3.44Å; Y24-G60 PolarHBondContact N-O 3.47Å
25D86.3Confident91.7Very high130 Ų13043.7 Ų43.770%0.69525%0.25SC*.  trans-101.14.1-177.863-2.4000113.3
26S81.6Confident91.6Very high28 Ų2851.3 Ų51.320%0.19628%0.276CS..SBendtrans-86.2137.8-176.1-64.40000112.1N7 Y24 A28 A29N7-S26 WeakPolarHBondContact ND2-CB 3.49Å; N7-S26 PolarHBondContact ND2-OG 3.13Å; Y24-S26 WeakPolarHBondContact CE1-O 3.47Å; S26-A28 PolarHBondContact O-N 3.41Å; S26-A29 PolarHBondContact O-N 2.68Å
27N83.6Confident91.6Very high150 Ų15051.3 Ų51.380%0.80227%0.273SS*.THydrogen-bonded Turntrans56.419.5171-53-40.8000115.8A29N27-A29 PolarHBondContact O-N 2.95Å
28A84.8Confident91.6Very high99 Ų9950.7 Ų50.782%0.81827%0.267SS*.THydrogen-bonded Turntrans51.236.2-178.900000113.8S26 C30S26-A28 PolarHBondContact O-N 3.41Å; A28-C30 PolarHBondContact O-N 3.24Å
29A88.6Confident91.6Very high22 Ų2252.7 Ų52.718%0.18228%0.281CS..  trans-69.5130.7-176.800000111.7Y24 S26 N27 Q33Y24-A29 HydrophobicContact CD1-CB 4Å; Y24-A29 HydrophobicContact CE1-CB 3.67Å; S26-A29 PolarHBondContact O-N 2.68Å; N27-A29 PolarHBondContact O-N 2.95Å; A29-Q33 VanDerWaalsContact CA-OE1 3.25Å; A29-Q33 HydrophobicContact CB-CB 4.2Å
30C91.4Very high91.7Very high55 Ų5558.6 Ų58.637%0.37230%0.302SS..  trans-76.5167.9172.570.40000111.9A28 E32 Q33 L34A28-C30 PolarHBondContact O-N 3.24Å; C30-E32 VanDerWaalsContact C-N 3.27Å; C30-E32 PolarHBondContact O-N 3.36Å; C30-E32 PolarHBondContact SG-OE2 2.93Å; C30-Q33 WeakPolarHBondContact O-CB 3.38Å; C30-Q33 PolarHBondContact O-N 3.43Å; C30-L34 PolarHBondContact O-N 3.5Å
31A92.9Very high91.6Very high2 Ų258 Ų582%0.01730%0.299CS..Hα-helixtrans-56.1-37.9-177.800000113.3L34 Q35 T53 D55 P126 Y128A31-L34 PolarHBondContact O-N 3.39Å; A31-Q35 WeakPolarHBondContact O-CB 3.47Å; A31-Q35 PolarHBondContact O-N 3.38Å; A31-T53 HydrophobicContact CB-CG2 4.45Å; A31-T53 WeakPolarHBondContact O-CG2 3.46Å; A31-D55 HydrophobicContact CB-CB 3.86Å; A31-P126 HydrophobicContact CB-CB 3.88Å; A31-P126 HydrophobicContact CB-CG 3.99Å; A31-Y128 HydrophobicContact CB-CE1 4.27Å
32E94.4Very high91.5Very high93 Ų9359.6 Ų59.644%0.43531%0.305SS..Hα-helixtrans-69.6-36.7178.6-57.778.6-175.300111.9C30 R36 Y128C30-E32 VanDerWaalsContact C-N 3.27Å; C30-E32 PolarHBondContact O-N 3.36Å; C30-E32 PolarHBondContact SG-OE2 2.93Å; E32-R36 VanDerWaalsContact O-CG 3.31Å; E32-R36 WeakPolarHBondContact O-CG 3.16Å; E32-R36 PolarHBondContact O-N 3.1Å; E32-Y128 VanDerWaalsContact CD-OH 3.28Å; E32-Y128 PolarHBondContact OE1-OH 3.41Å
33Q93.8Very high91.4Very high101 Ų10163.4 Ų63.447%0.47233%0.332SS..Hα-helixtrans-67.4-41.4174.2-71.6170-30.900110.7A29 C30 R36 Y37A29-Q33 VanDerWaalsContact CA-OE1 3.25Å; A29-Q33 HydrophobicContact CB-CB 4.2Å; C30-Q33 WeakPolarHBondContact O-CB 3.38Å; C30-Q33 PolarHBondContact O-N 3.43Å; Q33-R36 PolarHBondContact O-N 3.33Å; Q33-Y37 PolarHBondContact O-N 3.48Å
34L94.1Very high91.3Very high1 Ų164.9 Ų64.91%0.00534%0.34CS..Hα-helixtrans-63.6-42175.9-170.155.8000111.7Y24 C30 A31 R36 Y37 L38 T53 I62Y24-L34 HydrophobicContact CD1-CD1 4.01Å; Y24-L34 HydrophobicContact CD2-CD1 3.69Å; Y24-L34 HydrophobicContact CE1-CD1 4.4Å; Y24-L34 HydrophobicContact CE2-CD1 4.12Å; Y24-L34 HydrophobicContact CG-CD1 3.62Å; Y24-L34 HydrophobicContact CG-CD2 4.29Å; C30-L34 PolarHBondContact O-N 3.5Å; A31-L34 PolarHBondContact O-N 3.39Å; L34-R36 PolarHBondContact O-N 3.45Å; L34-Y37 HydrophobicContact CD1-CD1 4.25Å; L34-Y37 WeakPolarHBondContact O-CB 3.39Å; L34-Y37 PolarHBondContact O-N 3.5Å; L34-L38 WeakPolarHBondContact O-CB 3.17Å; L34-L38 PolarHBondContact O-N 3.04Å; L34-T53 HydrophobicContact CB-CG2 3.95Å; L34-T53 HydrophobicContact CD2-CG2 3.92Å; L34-T53 HydrophobicContact CG-CG2 3.92Å; L34-I62 HydrophobicContact CD1-CD1 3.67Å; L34-I62 HydrophobicContact CD1-CG1 3.85Å; L34-I62 HydrophobicContact CD2-CG1 4.06Å; L34-I62 HydrophobicContact CG-CD1 4.32Å; L34-I62 HydrophobicContact CG-CG1 3.97Å
35Q95.1Very high91.3Very high10 Ų1071.7 Ų71.75%0.04737%0.373CS..Hα-helixtrans-62.4-41.1174.3179.262.834.500112A31 L38 S39 T53 A123 D124 P126A31-Q35 WeakPolarHBondContact O-CB 3.47Å; A31-Q35 PolarHBondContact O-N 3.38Å; Q35-L38 PolarHBondContact O-N 3.09Å; Q35-S39 PolarHBondContact NE2-OG 2.92Å; Q35-S39 VanDerWaalsContact O-CB 3.29Å; Q35-S39 WeakPolarHBondContact O-CB 3.46Å; Q35-S39 PolarHBondContact O-N 3.26Å; Q35-S39 PolarHBondContact O-OG 2.97Å; Q35-T53 WeakPolarHBondContact CA-OG1 3.47Å; Q35-T53 HydrophobicContact CB-CG2 4.46Å; Q35-T53 VanDerWaalsContact OE1-CB 3.32Å; Q35-T53 PolarHBondContact OE1-OG1 3.24Å; Q35-A123 PolarHBondContact NE2-O 3.09Å; Q35-D124 WeakPolarHBondContact CG-O 3.49Å; Q35-D124 VanDerWaalsContact NE2-C 3.26Å; Q35-D124 PolarHBondContact NE2-O 3.43Å; Q35-D124 VanDerWaalsContact NE2-O 3.17Å; Q35-P126 HydrophobicContact CB-CG 3.95Å; Q35-P126 HydrophobicContact CG-CG 4.4Å
36R93.9Very high91.5Very high192 Ų19268.1 Ų68.173%0.72535%0.353SS*.Hα-helixtrans-63.9-40.8174.6-75.317363.1-177.8-0.4111.9E32 Q33 L34 R40E32-R36 VanDerWaalsContact O-CG 3.31Å; E32-R36 WeakPolarHBondContact O-CG 3.16Å; E32-R36 PolarHBondContact O-N 3.1Å; Q33-R36 PolarHBondContact O-N 3.33Å; L34-R36 PolarHBondContact O-N 3.45Å; R36-R40 PolarHBondContact O-N 2.59Å
37Y93.3Very high92Very high47 Ų4767.4 Ų67.418%0.18435%0.348CS..Hα-helixtrans-61.5-50.1174.7171.1-118.5000111.1V11 Q33 L34 S39 R40 L41V11-Y37 HydrophobicContact CG2-CE1 3.95Å; Q33-Y37 PolarHBondContact O-N 3.48Å; L34-Y37 HydrophobicContact CD1-CD1 4.25Å; L34-Y37 WeakPolarHBondContact O-CB 3.39Å; L34-Y37 PolarHBondContact O-N 3.5Å; Y37-S39 VanDerWaalsContact C-N 3.34Å; Y37-S39 PolarHBondContact O-N 3.06Å; Y37-R40 WeakPolarHBondContact O-CB 3.47Å; Y37-R40 PolarHBondContact O-N 2.7Å; Y37-R40 VanDerWaalsContact O-N 3.1Å; Y37-L41 HydrophobicContact CD1-CD1 4.35Å; Y37-L41 HydrophobicContact CD2-CG 4.44Å; Y37-L41 HydrophobicContact CE1-CD1 3.76Å; Y37-L41 HydrophobicContact CE1-CG 4.48Å; Y37-L41 HydrophobicContact CE2-CD1 4.12Å; Y37-L41 HydrophobicContact CE2-CD2 4.04Å; Y37-L41 HydrophobicContact CE2-CG 4.03Å; Y37-L41 PolarHBondContact O-N 2.92Å
38L93.6Very high92.3Very high0 Ų062.4 Ų62.40%033%0.325CS..Hα-helixtrans-60.4-43.1178.1-173.961.6000111.9V11 L34 Q35 R40 L41 R42 V47 L51 I62V11-L38 HydrophobicContact CG1-CD1 4.44Å; L34-L38 WeakPolarHBondContact O-CB 3.17Å; L34-L38 PolarHBondContact O-N 3.04Å; Q35-L38 PolarHBondContact O-N 3.09Å; L38-R40 VanDerWaalsContact C-N 3.28Å; L38-R40 PolarHBondContact O-N 3.25Å; L38-L41 PolarHBondContact O-N 3.24Å; L38-R42 WeakPolarHBondContact O-CG 3.32Å; L38-R42 PolarHBondContact O-N 3.28Å; L38-V47 HydrophobicContact CD1-CG2 4.08Å; L38-L51 HydrophobicContact CD1-CB 3.94Å; L38-L51 HydrophobicContact CD1-CD1 3.74Å; L38-L51 HydrophobicContact CD2-CB 4.05Å; L38-I62 HydrophobicContact CD1-CG2 4.42Å
39S93.3Very high92.4Very high43 Ų4368.5 Ų68.530%0.30133%0.327SS..Hα-helixtrans-59.1-39.7175.1-60.50000111.8Q35 Y37 R42 S43Q35-S39 PolarHBondContact NE2-OG 2.92Å; Q35-S39 VanDerWaalsContact O-CB 3.29Å; Q35-S39 WeakPolarHBondContact O-CB 3.46Å; Q35-S39 PolarHBondContact O-N 3.26Å; Q35-S39 PolarHBondContact O-OG 2.97Å; Y37-S39 VanDerWaalsContact C-N 3.34Å; Y37-S39 PolarHBondContact O-N 3.06Å; S39-R42 PolarHBondContact O-N 3.28Å; S39-S43 PolarHBondContact O-N 2.7Å
40R93.3Very high92.4Very high145 Ų14568.8 Ų68.855%0.54733%0.327SS..Hα-helixtrans-66.1-44.6175.6-168.3171.3-173.71781.1111.4R36 Y37 L38 R42 S43 L44R36-R40 PolarHBondContact O-N 2.59Å; Y37-R40 WeakPolarHBondContact O-CB 3.47Å; Y37-R40 PolarHBondContact O-N 2.7Å; Y37-R40 VanDerWaalsContact O-N 3.1Å; L38-R40 VanDerWaalsContact C-N 3.28Å; L38-R40 PolarHBondContact O-N 3.25Å; R40-R42 VanDerWaalsContact C-N 3.31Å; R40-R42 PolarHBondContact O-N 3.29Å; R40-S43 PolarHBondContact O-N 2.99Å; R40-S43 PolarHBondContact O-OG 3.16Å; R40-L44 HydrophobicContact CG-CD1 4.35Å; R40-L44 WeakPolarHBondContact O-CG 3.5Å; R40-L44 PolarHBondContact O-N 2.99Å; R40-L44 VanDerWaalsContact O-N 3.11Å
41L93.2Very high92.6Very high0 Ų066.1 Ų66.10%031%0.309CS..Hα-helixtrans-58.6-42.7175-65.7-179.6000112.2W5 V11 Y37 L38 L44 Q45 L46 V47W5-L41 HydrophobicContact CE3-CD2 4.5Å; W5-L41 HydrophobicContact CZ3-CD2 4.04Å; V11-L41 HydrophobicContact CB-CD1 4.31Å; V11-L41 HydrophobicContact CG1-CD1 3.92Å; V11-L41 HydrophobicContact CG2-CD1 4.38Å; Y37-L41 HydrophobicContact CD1-CD1 4.35Å; Y37-L41 HydrophobicContact CD2-CG 4.44Å; Y37-L41 HydrophobicContact CE1-CD1 3.76Å; Y37-L41 HydrophobicContact CE1-CG 4.48Å; Y37-L41 HydrophobicContact CE2-CD1 4.12Å; Y37-L41 HydrophobicContact CE2-CD2 4.04Å; Y37-L41 HydrophobicContact CE2-CG 4.03Å; Y37-L41 PolarHBondContact O-N 2.92Å; L38-L41 PolarHBondContact O-N 3.24Å; L41-L44 CarbonylContact O-C 3.55Å; L41-L44 PolarHBondContact O-N 2.53Å; L41-Q45 PolarHBondContact O-N 3.02Å; L41-L46 HydrophobicContact CB-CB 4.5Å; L41-L46 HydrophobicContact CD2-CB 4.49Å; L41-L46 HydrophobicContact CD2-CD1 3.88Å; L41-L46 PolarHBondContact O-N 3Å; L41-V47 HydrophobicContact CB-CG1 4.3Å; L41-V47 HydrophobicContact CB-CG2 3.68Å; L41-V47 HydrophobicContact CD1-CG1 4.23Å
42R92.3Very high92.7Very high34 Ų3466.6 Ų66.613%0.12831%0.311CS..Hα-helixtrans-62.5-43.5175.4-69.8175.3-174.3163.12.7112.3L38 S39 R40 L44 Q45 V47 L51 A123 D124L38-R42 WeakPolarHBondContact O-CG 3.32Å; L38-R42 PolarHBondContact O-N 3.28Å; S39-R42 PolarHBondContact O-N 3.28Å; R40-R42 VanDerWaalsContact C-N 3.31Å; R40-R42 PolarHBondContact O-N 3.29Å; R42-L44 PolarHBondContact O-N 2.86Å; R42-Q45 WeakPolarHBondContact O-CA 3.44Å; R42-Q45 PolarHBondContact O-N 2.76Å; R42-V47 HydrophobicContact CG-CG2 3.8Å; R42-L51 PolarHBondContact NH2-O 3.34Å; R42-A123 PolarHBondContact NH1-O 3.46Å; R42-D124 IonicContact NH1-OD1 3.26Å
43S92.8Very high92.7Very high90 Ų9062.1 Ų62.163%0.62929%0.291SS*.Hα-helixtrans-61.7-29.8177.373.50000113S39 R40 Q45S39-S43 PolarHBondContact O-N 2.7Å; R40-S43 PolarHBondContact O-N 2.99Å; R40-S43 PolarHBondContact O-OG 3.16Å; S43-Q45 VanDerWaalsContact C-N 3.27Å
44L93.2Very high92.8Very high85 Ų8557.3 Ų57.345%0.44527%0.268SS..THydrogen-bonded Turntrans-86.53.4175-64.9172.4000112.8W5 R40 L41 R42 L46W5-L44 HydrophobicContact CH2-CD1 3.8Å; W5-L44 HydrophobicContact CZ3-CD1 4.28Å; R40-L44 HydrophobicContact CG-CD1 4.35Å; R40-L44 WeakPolarHBondContact O-CG 3.5Å; R40-L44 PolarHBondContact O-N 2.99Å; R40-L44 VanDerWaalsContact O-N 3.11Å; L41-L44 CarbonylContact O-C 3.55Å; L41-L44 PolarHBondContact O-N 2.53Å; R42-L44 PolarHBondContact O-N 2.86Å; L44-L46 HydrophobicContact CB-CD1 3.94Å; L44-L46 HydrophobicContact CB-CG 3.81Å; L44-L46 HydrophobicContact CD1-CD1 4.09Å; L44-L46 PolarHBondContact O-N 3.07Å
45Q91.4Very high92.9Very high179 Ų17958.5 Ų58.584%0.83628%0.275SS*.THydrogen-bonded Turntrans55.929.5-177.4-57.2177.5-16.400113.3L41 R42 S43L41-Q45 PolarHBondContact O-N 3.02Å; R42-Q45 WeakPolarHBondContact O-CA 3.44Å; R42-Q45 PolarHBondContact O-N 2.76Å; S43-Q45 VanDerWaalsContact C-N 3.27Å
46L90.7Very high92.8Very high54 Ų5458 Ų5828%0.28327%0.272SS..SBendtrans-85.6-21.2-179.8-65.8178.1000112.9K8 L12 L41 L44K8-L46 HydrophobicContact CD-CD1 4.27Å; L12-L46 VanDerWaalsContact CD2-O 3.26Å; L12-L46 WeakPolarHBondContact CD2-O 3.37Å; L41-L46 HydrophobicContact CB-CB 4.5Å; L41-L46 HydrophobicContact CD2-CB 4.49Å; L41-L46 HydrophobicContact CD2-CD1 3.88Å; L41-L46 PolarHBondContact O-N 3Å; L44-L46 HydrophobicContact CB-CD1 3.94Å; L44-L46 HydrophobicContact CB-CG 3.81Å; L44-L46 HydrophobicContact CD1-CD1 4.09Å; L44-L46 PolarHBondContact O-N 3.07Å
47V92.8Very high92.7Very high14 Ų1453.2 Ų53.29%0.08526%0.261CS..SBendtrans-141.7156.2-179.4-59.70000110.5V11 L12 D15 L38 L41 R42 L51V11-V47 HydrophobicContact CG1-CG1 3.95Å; L12-V47 HydrophobicContact CD2-CG1 4.31Å; D15-V47 HydrophobicContact CB-CB 4.47Å; D15-V47 HydrophobicContact CB-CG1 4.5Å; D15-V47 VanDerWaalsContact OD2-CA 3.25Å; D15-V47 WeakPolarHBondContact OD2-CA 3.45Å; L38-V47 HydrophobicContact CD1-CG2 4.08Å; L41-V47 HydrophobicContact CB-CG1 4.3Å; L41-V47 HydrophobicContact CB-CG2 3.68Å; L41-V47 HydrophobicContact CD1-CG1 4.23Å; R42-V47 HydrophobicContact CG-CG2 3.8Å; V47-L51 HydrophobicContact CB-CD1 3.87Å; V47-L51 HydrophobicContact CG1-CD1 4.16Å; V47-L51 HydrophobicContact CG2-CD1 4.14Å
48S89.8Confident92.6Very high45 Ų4553.9 Ų53.932%0.31528%0.282SS..  trans-73170.3177.583.20000112.9D15 S50D15-S48 VanDerWaalsContact CG-N 3.29Å; D15-S48 WeakPolarHBondContact OD1-CB 3.49Å; D15-S48 PolarHBondContact OD1-N 2.58Å; D15-S48 PolarHBondContact OD1-OG 3.17Å; D15-S48 PolarHBondContact OD2-N 2.97Å; S48-S50 VanDerWaalsContact C-N 3.25Å; S48-S50 PolarHBondContact O-N 3.07Å; S48-S50 WeakPolarHBondContact OG-CB 3.47Å; S48-S50 PolarHBondContact OG-N 3.07Å; S48-S50 VanDerWaalsContact OG-N 3.16Å; S48-S50 PolarHBondContact OG-OG 2.84Å
49R87.4Confident92.6Very high227 Ų22757 Ų5786%0.85730%0.299SS*.THydrogen-bonded Turntrans-80.1-3.8172.9-64.1-173.6178.8-168.1-1.4113.4L51R49-L51 VanDerWaalsContact C-N 3.27Å; R49-L51 PolarHBondContact O-N 2.97Å
50S88.9Confident92.6Very high27 Ų2755.1 Ų55.119%0.18929%0.286CS..THydrogen-bonded Turntrans-75-18.6-179.671.60000113.2S48 A65S48-S50 VanDerWaalsContact C-N 3.25Å; S48-S50 PolarHBondContact O-N 3.07Å; S48-S50 WeakPolarHBondContact OG-CB 3.47Å; S48-S50 PolarHBondContact OG-N 3.07Å; S48-S50 VanDerWaalsContact OG-N 3.16Å; S48-S50 PolarHBondContact OG-OG 2.84Å; S50-A65 WeakPolarHBondContact O-CB 3.4Å; S50-A65 PolarHBondContact O-N 3.04Å
51L94.3Very high92.7Very high0 Ų048.2 Ų48.20%026%0.26CS..EExtended strand (participates in β ladder)trans-70.1145.6175.2-62.2-171.2000110.9V11 V14 D15 L38 R42 V47 R49 I62 I63 N64V11-L51 HydrophobicContact CG1-CD1 3.68Å; V14-L51 HydrophobicContact CB-CD2 4.25Å; V14-L51 HydrophobicContact CG1-CD2 3.72Å; D15-L51 HydrophobicContact CB-CD1 3.99Å; D15-L51 HydrophobicContact CB-CD2 4.25Å; D15-L51 HydrophobicContact CB-CG 4.29Å; D15-L51 WeakPolarHBondContact OD1-CG 3.4Å; L38-L51 HydrophobicContact CD1-CB 3.94Å; L38-L51 HydrophobicContact CD1-CD1 3.74Å; L38-L51 HydrophobicContact CD2-CB 4.05Å; R42-L51 PolarHBondContact NH2-O 3.34Å; V47-L51 HydrophobicContact CB-CD1 3.87Å; V47-L51 HydrophobicContact CG1-CD1 4.16Å; V47-L51 HydrophobicContact CG2-CD1 4.14Å; R49-L51 VanDerWaalsContact C-N 3.27Å; R49-L51 PolarHBondContact O-N 2.97Å; L51-I62 HydrophobicContact CB-CG2 4.3Å; L51-I62 HydrophobicContact CD1-CG2 4.09Å; L51-I62 HydrophobicContact CD2-CG2 4.38Å; L51-I63 CarbonylContact C-O 3.52Å; L51-I63 WeakPolarHBondContact CA-O 3.18Å; L51-N64 HydrophobicContact CD2-CB 3.94Å
52L94.8Very high92.9Very high11 Ų1148.2 Ų48.26%0.05826%0.26CS..EExtended strand (participates in β ladder)trans-132.2154.9169.9-61.3176.4000109.6I62 I63 A65 L114 F117 A123L52-I62 WeakPolarHBondContact O-CA 3.41Å; L52-I63 HydrophobicContact CB-CD1 4.19Å; L52-I63 HydrophobicContact CB-CG1 3.81Å; L52-I63 HydrophobicContact CD1-CD1 4.48Å; L52-I63 PolarHBondContact N-O 2.79Å; L52-I63 PolarHBondContact O-N 2.86Å; L52-A65 HydrophobicContact CD1-CB 3.67Å; L52-A65 HydrophobicContact CG-CB 4.05Å; L52-L114 HydrophobicContact CD1-CD1 4.13Å; L52-F117 HydrophobicContact CD1-CD1 4.11Å; L52-F117 HydrophobicContact CD1-CE1 4.03Å; L52-F117 HydrophobicContact CD2-CE1 4.14Å; L52-A123 HydrophobicContact CD2-CB 4.32Å
53T95.6Very high93.1Very high0 Ų046.6 Ų46.60%025%0.254CS..EExtended strand (participates in β ladder)trans-90.2132.7165.2-62.30000109A31 L34 Q35 L61 P126 L127A31-T53 HydrophobicContact CB-CG2 4.45Å; A31-T53 WeakPolarHBondContact O-CG2 3.46Å; L34-T53 HydrophobicContact CB-CG2 3.95Å; L34-T53 HydrophobicContact CD2-CG2 3.92Å; L34-T53 HydrophobicContact CG-CG2 3.92Å; Q35-T53 WeakPolarHBondContact CA-OG1 3.47Å; Q35-T53 HydrophobicContact CB-CG2 4.46Å; Q35-T53 VanDerWaalsContact OE1-CB 3.32Å; Q35-T53 PolarHBondContact OE1-OG1 3.24Å; T53-L61 WeakPolarHBondContact CA-O 3Å; T53-P126 HydrophobicContact CG2-CB 4.08Å; T53-P126 HydrophobicContact CG2-CG 4.49Å; T53-P126 WeakPolarHBondContact O-CA 3.17Å; T53-L127 PolarHBondContact O-N 2.78Å
54L95.5Very high93.2Very high0 Ų042.9 Ų42.90%023%0.227CC..EExtended strand (participates in β ladder)trans-120.9132.6178.5172.771.6000108.6G60 L61 I63 F110 L127 V129 L145L54-G60 CarbonylContact O-C 3.55Å; L54-G60 WeakPolarHBondContact O-CA 3.39Å; L54-L61 HydrophobicContact CB-CB 4.24Å; L54-L61 HydrophobicContact CD2-CB 4.38Å; L54-L61 HydrophobicContact CD2-CD1 4.02Å; L54-L61 HydrophobicContact CG-CD1 4.24Å; L54-L61 PolarHBondContact N-O 3.29Å; L54-L61 PolarHBondContact O-N 2.94Å; L54-I63 HydrophobicContact CB-CD1 4.32Å; L54-I63 HydrophobicContact CB-CG2 4.16Å; L54-I63 HydrophobicContact CD2-CG2 3.93Å; L54-F110 HydrophobicContact CD1-CE2 4.39Å; L54-F110 HydrophobicContact CD1-CZ 4.05Å; L54-F110 HydrophobicContact CD2-CE2 4.16Å; L54-F110 HydrophobicContact CD2-CZ 3.75Å; L54-L127 CarbonylContact C-O 3.4Å; L54-L127 WeakPolarHBondContact CA-O 3.41Å; L54-L127 HydrophobicContact CD1-CB 4.18Å; L54-L127 HydrophobicContact CD1-CD2 3.86Å; L54-L127 HydrophobicContact CD1-CG 3.74Å; L54-V129 HydrophobicContact CD1-CG2 3.61Å; L54-L145 HydrophobicContact CD2-CD1 4.01Å
55D95Very high93.1Very high26 Ų2639 Ų3914%0.13921%0.207CC..EExtended strand (participates in β ladder)trans-104.4118.9165.2-170.9-78.6000109.2A31 G58 L127 Y128 V129A31-D55 HydrophobicContact CB-CB 3.86Å; D55-G58 PolarHBondContact OD1-N 3.06Å; D55-L127 PolarHBondContact N-O 3.35Å; D55-Y128 HydrophobicContact CB-CD1 3.58Å; D55-Y128 HydrophobicContact CB-CE1 3.91Å; D55-Y128 HydrophobicContact CB-CG 4.32Å; D55-V129 PolarHBondContact O-N 3.27Å; D55-V129 VanDerWaalsContact O-N 3.09Å
56L94.4Very high93Very high0 Ų034.4 Ų34.40%019%0.189CC..EExtended strand (participates in β ladder)trans-121.3105.8174.2177.162.4000109G58 N59 L61 V129 W136 L138 I141 F142 L145L56-G58 VanDerWaalsContact C-N 3.27Å; L56-G58 PolarHBondContact O-N 2.95Å; L56-N59 PolarHBondContact N-O 3.29Å; L56-N59 WeakPolarHBondContact O-CB 3.17Å; L56-N59 PolarHBondContact O-N 3.23Å; L56-N59 PolarHBondContact O-ND2 3.01Å; L56-L61 HydrophobicContact CB-CD1 3.93Å; L56-V129 HydrophobicContact CB-CG2 4.48Å; L56-V129 HydrophobicContact CD1-CB 4.03Å; L56-V129 HydrophobicContact CD1-CG1 4.12Å; L56-V129 HydrophobicContact CD1-CG2 3.95Å; L56-W136 HydrophobicContact CD1-CE3 4.36Å; L56-W136 HydrophobicContact CD1-CZ3 4.36Å; L56-L138 HydrophobicContact CD1-CD2 4.01Å; L56-L138 HydrophobicContact CD2-CD2 4.41Å; L56-L138 HydrophobicContact CG-CD2 4.17Å; L56-I141 HydrophobicContact CD2-CG2 3.65Å; L56-F142 HydrophobicContact CD2-CD1 4.34Å; L56-F142 HydrophobicContact CD2-CE1 3.94Å; L56-F142 HydrophobicContact CD2-CE2 4.44Å; L56-F142 HydrophobicContact CD2-CZ 3.96Å; L56-F142 HydrophobicContact CG-CZ 4.25Å; L56-L145 HydrophobicContact CD2-CD1 3.83Å
57N91.9Very high93Very high90 Ų9033.3 Ų33.348%0.48119%0.187SC..THydrogen-bonded Turntrans49.746.5-178.2-167.933.8000112.6N59 L138N57-N59 PolarHBondContact O-N 3.02Å; N57-N59 PolarHBondContact O-ND2 3.22Å; N57-N59 VanDerWaalsContact O-ND2 3.15Å; N57-L138 HydrophobicContact CB-CD1 3.75Å; N57-L138 HydrophobicContact CB-CD2 4.41Å; N57-L138 WeakPolarHBondContact ND2-CD1 3.48Å
58G90.8Very high93Very high61 Ų6132.6 Ų32.663%0.62918%0.183SC*.THydrogen-bonded Turntrans76.82.5-179.500000115.4D55 L56D55-G58 PolarHBondContact OD1-N 3.06Å; L56-G58 VanDerWaalsContact C-N 3.27Å; L56-G58 PolarHBondContact O-N 2.95Å
59N92.3Very high93.1Very high65 Ų6534.5 Ų34.535%0.34818%0.183SC..EExtended strand (participates in β ladder)trans-96.4126.4173-60.9-88.6000109.5L23 L56 N57 L61 F142L23-N59 HydrophobicContact CD1-CB 4.03Å; L56-N59 PolarHBondContact N-O 3.29Å; L56-N59 WeakPolarHBondContact O-CB 3.17Å; L56-N59 PolarHBondContact O-N 3.23Å; L56-N59 PolarHBondContact O-ND2 3.01Å; N57-N59 PolarHBondContact O-N 3.02Å; N57-N59 PolarHBondContact O-ND2 3.22Å; N57-N59 VanDerWaalsContact O-ND2 3.15Å; N59-L61 WeakPolarHBondContact O-CD1 3.47Å; N59-F142 HydrophobicContact CB-CE1 4.08Å; N59-F142 HydrophobicContact CB-CZ 3.72Å
60G94.6Very high93.2Very high4 Ų426 Ų264%0.04116%0.159CC..EExtended strand (participates in β ladder)trans-83.8126.2177.400000112Y24 L54Y24-G60 WeakPolarHBondContact CB-O 3.44Å; Y24-G60 PolarHBondContact N-O 3.47Å; L54-G60 CarbonylContact O-C 3.55Å; L54-G60 WeakPolarHBondContact O-CA 3.39Å
61L95.9Very high93.2Very high0 Ų026.6 Ų26.60%016%0.16CC..EExtended strand (participates in β ladder)trans-117.8148.8169-54.688000111A21 L22 L23 T53 L54 L56 N59 I63 F142 L145A21-L61 HydrophobicContact CB-CD2 4.26Å; L22-L61 CarbonylContact O-C 3.55Å; L22-L61 WeakPolarHBondContact O-CA 3.48Å; L22-L61 WeakPolarHBondContact O-CB 3.48Å; L23-L61 HydrophobicContact CD1-CG 4.19Å; T53-L61 WeakPolarHBondContact CA-O 3Å; L54-L61 HydrophobicContact CB-CB 4.24Å; L54-L61 HydrophobicContact CD2-CB 4.38Å; L54-L61 HydrophobicContact CD2-CD1 4.02Å; L54-L61 HydrophobicContact CG-CD1 4.24Å; L54-L61 PolarHBondContact N-O 3.29Å; L54-L61 PolarHBondContact O-N 2.94Å; L56-L61 HydrophobicContact CB-CD1 3.93Å; N59-L61 WeakPolarHBondContact O-CD1 3.47Å; L61-I63 HydrophobicContact CB-CG2 4.16Å; L61-F142 HydrophobicContact CD1-CE1 4.04Å; L61-F142 HydrophobicContact CD2-CD1 4.33Å; L61-F142 HydrophobicContact CD2-CE1 4.35Å; L61-L145 HydrophobicContact CD2-CB 4.33Å; L61-L145 HydrophobicContact CD2-CD1 4.1Å
62I96.2Very high93.2Very high0 Ų026.7 Ų26.70%016%0.16CC..EExtended strand (participates in β ladder)trans-102121.7160.4-62.9170.1000107.2V11 A21 L22 L34 L38 L51 L52V11-I62 HydrophobicContact CG1-CD1 4.23Å; V11-I62 HydrophobicContact CG1-CG2 4.37Å; V11-I62 HydrophobicContact CG2-CD1 3.58Å; A21-I62 CarbonylContact C-O 3.53Å; A21-I62 VanDerWaalsContact CA-O 3.27Å; A21-I62 WeakPolarHBondContact CA-O 3.37Å; L22-I62 PolarHBondContact N-O 2.79Å; L22-I62 PolarHBondContact O-N 3.09Å; L34-I62 HydrophobicContact CD1-CD1 3.67Å; L34-I62 HydrophobicContact CD1-CG1 3.85Å; L34-I62 HydrophobicContact CD2-CG1 4.06Å; L34-I62 HydrophobicContact CG-CD1 4.32Å; L34-I62 HydrophobicContact CG-CG1 3.97Å; L38-I62 HydrophobicContact CD1-CG2 4.42Å; L51-I62 HydrophobicContact CB-CG2 4.3Å; L51-I62 HydrophobicContact CD1-CG2 4.09Å; L51-I62 HydrophobicContact CD2-CG2 4.38Å; L52-I62 WeakPolarHBondContact O-CA 3.41Å
63I96Very high93.1Very high0 Ų028.6 Ų28.60%017%0.169CC..EExtended strand (participates in β ladder)trans-115.7145.2-178.563.9170.8000110.5A21 L51 L52 L54 L61 L68 L114A21-I63 HydrophobicContact CB-CG2 3.79Å; L51-I63 CarbonylContact C-O 3.52Å; L51-I63 WeakPolarHBondContact CA-O 3.18Å; L52-I63 HydrophobicContact CB-CD1 4.19Å; L52-I63 HydrophobicContact CB-CG1 3.81Å; L52-I63 HydrophobicContact CD1-CD1 4.48Å; L52-I63 PolarHBondContact N-O 2.79Å; L52-I63 PolarHBondContact O-N 2.86Å; L54-I63 HydrophobicContact CB-CD1 4.32Å; L54-I63 HydrophobicContact CB-CG2 4.16Å; L54-I63 HydrophobicContact CD2-CG2 3.93Å; L61-I63 HydrophobicContact CB-CG2 4.16Å; I63-L68 HydrophobicContact CB-CD2 4.08Å; I63-L68 HydrophobicContact CD1-CD2 3.73Å; I63-L68 HydrophobicContact CG1-CD2 4.48Å; I63-L68 HydrophobicContact CG2-CD2 4.11Å; I63-L114 HydrophobicContact CD1-CD1 4.37Å
64N94.8Very high92.7Very high12 Ų1233.7 Ų33.76%0.06419%0.191CC..EExtended strand (participates in β ladder)trans-88.2108.6161.7179.4-39.8000107.5V14 D15 P20 L51 D66 A67 L68V14-N64 HydrophobicContact CG1-CB 3.8Å; V14-N64 VanDerWaalsContact CG1-N 3.34Å; V14-N64 WeakPolarHBondContact O-CB 3.33Å; V14-N64 PolarHBondContact O-ND2 3.18Å; V14-N64 VanDerWaalsContact O-ND2 3.09Å; D15-N64 PolarHBondContact O-ND2 2.99Å; P20-N64 PolarHBondContact O-N 2.88Å; L51-N64 HydrophobicContact CD2-CB 3.94Å; N64-D66 VanDerWaalsContact C-N 3.29Å; N64-D66 PolarHBondContact O-N 3.49Å; N64-D66 PolarHBondContact OD1-N 3.32Å; N64-A67 HydrophobicContact CB-CB 3.89Å; N64-A67 PolarHBondContact O-N 2.95Å; N64-A67 PolarHBondContact OD1-N 3.11Å; N64-L68 WeakPolarHBondContact O-CB 3.25Å; N64-L68 PolarHBondContact O-N 2.8Å
65A91.7Very high92.5Very high4 Ų434 Ų343%0.03319%0.193CC..Hα-helixtrans-62.3-36-169.500000113S50 L52 R69 L114S50-A65 WeakPolarHBondContact O-CB 3.4Å; S50-A65 PolarHBondContact O-N 3.04Å; L52-A65 HydrophobicContact CD1-CB 3.67Å; L52-A65 HydrophobicContact CG-CB 4.05Å; A65-R69 WeakPolarHBondContact O-CB 3.49Å; A65-R69 PolarHBondContact O-N 3.41Å; A65-L114 HydrophobicContact CB-CD1 4.49Å
66D90.3Very high92.3Very high82 Ų8235.9 Ų35.944%0.43920%0.203SC..Hα-helixtrans-75.4-44-179.8-64.6-34.5000111.1N64 S70 R118N64-D66 VanDerWaalsContact C-N 3.29Å; N64-D66 PolarHBondContact O-N 3.49Å; N64-D66 PolarHBondContact OD1-N 3.32Å; D66-S70 WeakPolarHBondContact O-CB 3.21Å; D66-S70 PolarHBondContact O-N 3.23Å; D66-R118 IonicContact OD1-CZ 2.76Å; D66-R118 VanDerWaalsContact OD1-CZ 3.27Å; D66-R118 IonicContact OD1-NH1 3.27Å; D66-R118 PolarHBondContact OD1-NH1 2.92Å; D66-R118 IonicContact OD1-NH2 3.78Å; D66-R118 PolarHBondContact OD1-NH2 3.49Å
67A90.8Very high92Very high31 Ų3145.9 Ų45.926%0.25624%0.24SC..Hα-helixtrans-64.4-43.2176.300000111.6N64 S70 N71N64-A67 HydrophobicContact CB-CB 3.89Å; N64-A67 PolarHBondContact O-N 2.95Å; N64-A67 PolarHBondContact OD1-N 3.11Å; A67-S70 PolarHBondContact O-N 3.37Å; A67-N71 WeakPolarHBondContact O-CB 3.37Å; A67-N71 PolarHBondContact O-N 3.21Å
68L91.7Very high91.6Very high0 Ų044.1 Ų44.10%024%0.244CC..Hα-helixtrans-64-49.2177.8-179.461.1000110.8P20 I63 N64 S70 N71 L72 F110 L145P20-L68 HydrophobicContact CB-CD1 4.37Å; I63-L68 HydrophobicContact CB-CD2 4.08Å; I63-L68 HydrophobicContact CD1-CD2 3.73Å; I63-L68 HydrophobicContact CG1-CD2 4.48Å; I63-L68 HydrophobicContact CG2-CD2 4.11Å; N64-L68 WeakPolarHBondContact O-CB 3.25Å; N64-L68 PolarHBondContact O-N 2.8Å; L68-S70 VanDerWaalsContact C-N 3.33Å; L68-S70 PolarHBondContact O-N 2.91Å; L68-N71 WeakPolarHBondContact O-CA 3.26Å; L68-N71 WeakPolarHBondContact O-CB 3.3Å; L68-N71 PolarHBondContact O-N 2.99Å; L68-L72 HydrophobicContact CD1-CD1 4.23Å; L68-L72 HydrophobicContact CD1-CD2 4.3Å; L68-L72 HydrophobicContact CD1-CG 4.05Å; L68-L72 HydrophobicContact CG-CD1 3.99Å; L68-L72 HydrophobicContact CG-CG 4.23Å; L68-L72 WeakPolarHBondContact O-CG 3.37Å; L68-L72 PolarHBondContact O-N 3.18Å; L68-F110 HydrophobicContact CD2-CE1 3.74Å; L68-F110 HydrophobicContact CD2-CZ 4.15Å; L68-L145 HydrophobicContact CD1-CD2 3.65Å; L68-L145 HydrophobicContact CD2-CD2 4Å; L68-L145 HydrophobicContact CG-CD2 4.43Å
69R92.3Very high91.2Very high84 Ų8442.4 Ų42.432%0.31723%0.226SC..Hα-helixtrans-53.4-50.3175.3179.4-172.4173.1147.222.7111.4A65 N71 L72 E73 L111 L114 E115A65-R69 WeakPolarHBondContact O-CB 3.49Å; A65-R69 PolarHBondContact O-N 3.41Å; R69-N71 VanDerWaalsContact C-N 3.25Å; R69-N71 PolarHBondContact O-N 3.29Å; R69-L72 PolarHBondContact O-N 3.36Å; R69-E73 HydrophobicContact CG-CG 4.4Å; R69-E73 IonicContact CZ-OE1 3.52Å; R69-E73 IonicContact NE-OE1 3.96Å; R69-E73 PolarHBondContact NE-OE1 3.02Å; R69-E73 IonicContact NH2-OE1 2.83Å; R69-E73 PolarHBondContact NH2-OE1 2.91Å; R69-E73 WeakPolarHBondContact O-CG 3.46Å; R69-E73 PolarHBondContact O-N 2.81Å; R69-L111 HydrophobicContact CG-CD2 4.02Å; R69-L114 HydrophobicContact CB-CD2 4.06Å; R69-E115 IonicContact CZ-OE1 2.7Å; R69-E115 IonicContact NH2-OE1 2.76Å; R69-E115 PolarHBondContact NH2-OE1 2.87Å
70S89.9Confident90.9Very high48 Ų4839.8 Ų39.834%0.33622%0.215SC..Hα-helixtrans-59.1-38.2178.2-172.50000112.1D66 A67 L68 K74D66-S70 WeakPolarHBondContact O-CB 3.21Å; D66-S70 PolarHBondContact O-N 3.23Å; A67-S70 PolarHBondContact O-N 3.37Å; L68-S70 VanDerWaalsContact C-N 3.33Å; L68-S70 PolarHBondContact O-N 2.91Å; S70-K74 WeakPolarHBondContact O-CB 3.48Å; S70-K74 WeakPolarHBondContact O-CD 3.23Å; S70-K74 VanDerWaalsContact O-CG 3.23Å; S70-K74 WeakPolarHBondContact O-CG 3.48Å; S70-K74 PolarHBondContact O-N 3.01Å; S70-K74 VanDerWaalsContact O-N 3.13Å
71N89.4Confident90.9Very high41 Ų4140.3 Ų40.322%0.21922%0.217CC..Hα-helixtrans-66.8-46.9176.8-165.949.6000112A67 L68 R69 K74 T75A67-N71 WeakPolarHBondContact O-CB 3.37Å; A67-N71 PolarHBondContact O-N 3.21Å; L68-N71 WeakPolarHBondContact O-CA 3.26Å; L68-N71 WeakPolarHBondContact O-CB 3.3Å; L68-N71 PolarHBondContact O-N 2.99Å; R69-N71 VanDerWaalsContact C-N 3.25Å; R69-N71 PolarHBondContact O-N 3.29Å; N71-K74 WeakPolarHBondContact O-CB 3.5Å; N71-K74 PolarHBondContact O-N 2.89Å; N71-T75 PolarHBondContact O-N 3.32Å; N71-T75 PolarHBondContact O-OG1 3.04Å
72L92.8Very high90.9Very high1 Ų140.7 Ų40.71%0.00522%0.22CC..Hα-helixtrans-63.8-41.6178.4-64.5178.7000112L68 R69 K74 T75 L76 V107 F110 L111 L144L68-L72 HydrophobicContact CD1-CD1 4.23Å; L68-L72 HydrophobicContact CD1-CD2 4.3Å; L68-L72 HydrophobicContact CD1-CG 4.05Å; L68-L72 HydrophobicContact CG-CD1 3.99Å; L68-L72 HydrophobicContact CG-CG 4.23Å; L68-L72 WeakPolarHBondContact O-CG 3.37Å; L68-L72 PolarHBondContact O-N 3.18Å; R69-L72 PolarHBondContact O-N 3.36Å; L72-K74 VanDerWaalsContact C-N 3.32Å; L72-K74 PolarHBondContact O-N 2.87Å; L72-T75 VanDerWaalsContact O-CB 3.3Å; L72-T75 WeakPolarHBondContact O-CB 3.45Å; L72-T75 PolarHBondContact O-N 2.95Å; L72-T75 VanDerWaalsContact O-N 3.15Å; L72-L76 PolarHBondContact O-N 2.96Å; L72-V107 HydrophobicContact CB-CG1 3.93Å; L72-V107 HydrophobicContact CD2-CG1 4.06Å; L72-V107 HydrophobicContact CD2-CG2 4.4Å; L72-V107 WeakPolarHBondContact O-CG1 3.37Å; L72-F110 HydrophobicContact CD1-CB 4.44Å; L72-F110 HydrophobicContact CD1-CD1 3.38Å; L72-F110 HydrophobicContact CD1-CE1 3.99Å; L72-F110 HydrophobicContact CD1-CG 4.17Å; L72-L111 HydrophobicContact CB-CD1 3.88Å; L72-L111 HydrophobicContact CB-CD2 3.73Å; L72-L111 HydrophobicContact CB-CG 3.71Å; L72-L111 HydrophobicContact CD1-CD2 4.02Å; L72-L111 HydrophobicContact CD1-CG 4.03Å; L72-L144 HydrophobicContact CD2-CD2 3.72Å; L72-L144 HydrophobicContact CD2-CG 4.25Å
73E93Very high90.9Very high52 Ų5240.7 Ų40.724%0.24322%0.22CC..Hα-helixtrans-62.8-38.7175-73.1177179.900112.1R69 T75 L76 R77 L111R69-E73 HydrophobicContact CG-CG 4.4Å; R69-E73 IonicContact CZ-OE1 3.52Å; R69-E73 IonicContact NE-OE1 3.96Å; R69-E73 PolarHBondContact NE-OE1 3.02Å; R69-E73 IonicContact NH2-OE1 2.83Å; R69-E73 PolarHBondContact NH2-OE1 2.91Å; R69-E73 WeakPolarHBondContact O-CG 3.46Å; R69-E73 PolarHBondContact O-N 2.81Å; E73-T75 VanDerWaalsContact C-N 3.34Å; E73-L76 PolarHBondContact O-N 3.15Å; E73-R77 WeakPolarHBondContact O-CG 3.1Å; E73-R77 PolarHBondContact O-N 2.92Å; E73-R77 VanDerWaalsContact O-N 3.14Å; E73-L111 HydrophobicContact CG-CD1 4.26Å; E73-L111 HydrophobicContact CG-CD2 4.32Å
74K88.4Confident91Very high107 Ų10740.7 Ų40.747%0.46522%0.22SC..Hα-helixtrans-65.1-39.7173.3-74.2169.4-171.6171.90111.4S70 N71 L72 R77 G78S70-K74 WeakPolarHBondContact O-CB 3.48Å; S70-K74 WeakPolarHBondContact O-CD 3.23Å; S70-K74 VanDerWaalsContact O-CG 3.23Å; S70-K74 WeakPolarHBondContact O-CG 3.48Å; S70-K74 PolarHBondContact O-N 3.01Å; S70-K74 VanDerWaalsContact O-N 3.13Å; N71-K74 WeakPolarHBondContact O-CB 3.5Å; N71-K74 PolarHBondContact O-N 2.89Å; L72-K74 VanDerWaalsContact C-N 3.32Å; L72-K74 PolarHBondContact O-N 2.87Å; K74-R77 PolarHBondContact O-N 2.9Å; K74-G78 PolarHBondContact O-N 3.42Å
75T89.3Confident91.1Very high7 Ų741.4 Ų41.44%0.04322%0.224CC..Hα-helixtrans-58.6-46.2174.7-65.40000110.9N71 L72 E73 R77 G78 G79 G80 V107 L144N71-T75 PolarHBondContact O-N 3.32Å; N71-T75 PolarHBondContact O-OG1 3.04Å; L72-T75 VanDerWaalsContact O-CB 3.3Å; L72-T75 WeakPolarHBondContact O-CB 3.45Å; L72-T75 PolarHBondContact O-N 2.95Å; L72-T75 VanDerWaalsContact O-N 3.15Å; E73-T75 VanDerWaalsContact C-N 3.34Å; T75-R77 PolarHBondContact O-N 3.09Å; T75-G78 PolarHBondContact O-N 3.45Å; T75-G79 CarbonylContact O-C 3.59Å; T75-G79 WeakPolarHBondContact O-CA 3.33Å; T75-G79 PolarHBondContact O-N 3.41Å; T75-G80 PolarHBondContact O-N 3.25Å; T75-V107 HydrophobicContact CG2-CB 4.42Å; T75-V107 HydrophobicContact CG2-CG1 4.14Å; T75-V107 HydrophobicContact CG2-CG2 3.66Å; T75-L144 HydrophobicContact CG2-CD1 4.09Å
76L90.8Very high91.4Very high65 Ų6541.2 Ų41.234%0.3422%0.222SC..Hα-helixtrans-61.6-40175.7-68.6-175.3000113.3L72 E73 T104 V107 A108 L111L72-L76 PolarHBondContact O-N 2.96Å; E73-L76 PolarHBondContact O-N 3.15Å; L76-T104 HydrophobicContact CD2-CG2 3.57Å; L76-T104 WeakPolarHBondContact CD2-O 3.42Å; L76-V107 HydrophobicContact CD1-CG1 4.47Å; L76-V107 HydrophobicContact CD2-CB 3.95Å; L76-V107 HydrophobicContact CD2-CG1 3.6Å; L76-V107 HydrophobicContact CG-CG1 3.68Å; L76-A108 HydrophobicContact CD2-CB 4.23Å; L76-L111 HydrophobicContact CD1-CD1 3.44Å; L76-L111 VanDerWaalsContact CD1-CD1 3.44Å; L76-L111 HydrophobicContact CG-CD1 4.12Å
77R89.4Confident91.6Very high209 Ų20938 Ų3879%0.78921%0.206SC*.Hα-helixtrans-76.2-35.5-178.3-66.7176.4-165.3-179.27.9113.3E73 K74 T75E73-R77 WeakPolarHBondContact O-CG 3.1Å; E73-R77 PolarHBondContact O-N 2.92Å; E73-R77 VanDerWaalsContact O-N 3.14Å; K74-R77 PolarHBondContact O-N 2.9Å; T75-R77 PolarHBondContact O-N 3.09Å
78G83.4Confident91.8Very high54 Ų5438.6 Ų38.656%0.55721%0.211SC*.Hα-helixtrans-104.23.7-173.500000114.9K74 T75 G80 R100K74-G78 PolarHBondContact O-N 3.42Å; T75-G78 PolarHBondContact O-N 3.45Å; G78-G80 VanDerWaalsContact C-N 3.29Å; G78-G80 PolarHBondContact O-N 3.31Å; G78-R100 PolarHBondContact O-NH2 3.24Å
79G82.3Confident91.8Very high25 Ų2543.5 Ų43.526%0.25825%0.245SC..THydrogen-bonded Turntrans75.610.8-17600000114.6T75 R100T75-G79 CarbonylContact O-C 3.59Å; T75-G79 WeakPolarHBondContact O-CA 3.33Å; T75-G79 PolarHBondContact O-N 3.41Å; G79-R100 WeakPolarHBondContact O-CD 3.46Å; G79-R100 WeakPolarHBondContact O-CG 3.47Å; G79-R100 PolarHBondContact O-NE 3.04Å
80G86.8Confident91.9Very high10 Ų1042.3 Ų42.310%0.10325%0.245CC..  trans71.4179.9176.300000115.7T75 G78 R100T75-G80 PolarHBondContact O-N 3.25Å; G78-G80 VanDerWaalsContact C-N 3.29Å; G78-G80 PolarHBondContact O-N 3.31Å; G80-R100 VanDerWaalsContact O-CZ 3.28Å; G80-R100 PolarHBondContact O-NE 3.08Å; G80-R100 PolarHBondContact O-NH2 2.97Å
81P93.1Very high92.1Very high14 Ų1449.2 Ų49.29%0.09127%0.272CS..SBendtrans-65.1154173.528.9-34.1000111V83 L103 L144 P149 T151P81-V83 PolarHBondContact O-N 3.13Å; P81-L103 HydrophobicContact CG-CD2 4.41Å; P81-L144 HydrophobicContact CG-CD1 4.04Å; P81-P149 VanDerWaalsContact CB-O 3.3Å; P81-P149 WeakPolarHBondContact CB-O 3.48Å; P81-T151 HydrophobicContact CB-CG2 4.48Å; P81-T151 HydrophobicContact CG-CG2 3.81Å
82P95.9Very high92.4Very high9 Ų954.1 Ų54.16%0.05829%0.291CS..  trans-52.9138.3167.7-25.234.2000111.1V95 P149 T151 T202 E205P82-V95 HydrophobicContact CB-CG1 4.22Å; P82-P149 WeakPolarHBondContact CD-O 3.47Å; P82-T151 PolarHBondContact O-N 3.46Å; P82-T151 PolarHBondContact O-OG1 3.31Å; P82-T202 HydrophobicContact CB-CG2 4.48Å; P82-E205 HydrophobicContact CG-CG 3.8Å
83V97.4Very high92.6Very high0 Ų054.4 Ų54.40%029%0.293CS..EExtended strand (participates in β ladder)trans-106.4114.1175.3-175.90000108P81 V95 S96 Q99 R100 L103 T140 T151 W153P81-V83 PolarHBondContact O-N 3.13Å; V83-V95 CarbonylContact O-C 3.59Å; V83-V95 WeakPolarHBondContact O-CA 3.18Å; V83-S96 PolarHBondContact O-N 3.43Å; V83-Q99 HydrophobicContact CB-CB 4.18Å; V83-Q99 HydrophobicContact CG1-CB 3.68Å; V83-R100 HydrophobicContact CB-CB 4.43Å; V83-R100 HydrophobicContact CG2-CB 3.95Å; V83-R100 HydrophobicContact CG2-CG 4.4Å; V83-L103 HydrophobicContact CG2-CD2 3.97Å; V83-T140 HydrophobicContact CG1-CG2 4.33Å; V83-T140 HydrophobicContact CG2-CG2 4.24Å; V83-T151 CarbonylContact C-O 3.52Å; V83-T151 WeakPolarHBondContact CA-O 3.49Å; V83-W153 HydrophobicContact CG1-CB 3.47Å; V83-W153 VanDerWaalsContact CG1-CB 3.47Å; V83-W153 HydrophobicContact CG1-CG 4.31Å
84V98Very high92.8Very high0 Ų053.9 Ų53.90%030%0.298CS..EExtended strand (participates in β ladder)trans-90.9116177.7-179.20000108.8V86 P93 A94 V95 V150 T151 Y152 W153 P195 L198V84-V86 HydrophobicContact CG1-CG1 3.81Å; V84-V86 PolarHBondContact O-N 2.85Å; V84-P93 HydrophobicContact CG1-CB 3.78Å; V84-A94 CarbonylContact C-O 3.58Å; V84-A94 WeakPolarHBondContact CA-O 3.45Å; V84-V95 HydrophobicContact CG2-CG2 4.33Å; V84-V150 HydrophobicContact CG2-CG1 3.45Å; V84-V150 VanDerWaalsContact CG2-CG1 3.45Å; V84-T151 PolarHBondContact N-O 2.69Å; V84-Y152 HydrophobicContact CB-CD1 3.78Å; V84-Y152 HydrophobicContact CB-CE1 4.07Å; V84-Y152 HydrophobicContact CG1-CD1 4.4Å; V84-Y152 HydrophobicContact CG1-CE1 4.41Å; V84-Y152 HydrophobicContact CG2-CD1 4.36Å; V84-Y152 HydrophobicContact CG2-CE1 4.34Å; V84-Y152 CarbonylContact O-C 3.55Å; V84-Y152 WeakPolarHBondContact O-CA 3.49Å; V84-W153 PolarHBondContact O-N 3.15Å; V84-P195 HydrophobicContact CG1-CG 4.34Å; V84-L198 HydrophobicContact CB-CD1 4.28Å; V84-L198 HydrophobicContact CG1-CD1 3.45Å; V84-L198 VanDerWaalsContact CG1-CD1 3.45Å; V84-L198 HydrophobicContact CG2-CD1 3.8Å
85N97.3Very high93.2Very high27 Ų2750.3 Ų50.314%0.14429%0.285CS..EExtended strand (participates in β ladder)trans-75.2120.4171.1-173.7-7000109.2S87 L90 P93 A94 W153N85-S87 VanDerWaalsContact OD1-CB 3.29Å; N85-S87 WeakPolarHBondContact OD1-CB 3.41Å; N85-S87 PolarHBondContact OD1-N 3.14Å; N85-S87 PolarHBondContact OD1-OG 3.32Å; N85-L90 HydrophobicContact CB-CD1 4.02Å; N85-L90 WeakPolarHBondContact O-CD1 3.29Å; N85-P93 WeakPolarHBondContact O-CA 3.47Å; N85-A94 PolarHBondContact N-O 3.21Å; N85-A94 PolarHBondContact O-N 3.3Å; N85-W153 WeakPolarHBondContact CA-O 3.19Å; N85-W153 HydrophobicContact CB-CE3 4.34Å; N85-W153 PolarHBondContact OD1-O 2.68Å
86V97.2Very high93.6Very high0 Ų051 Ų510%029%0.29CS..  trans-119.718.8-178.7-58.50000111.9V84 A88 P93 Y152 W153 F154 N162 C163 L164 L240V84-V86 HydrophobicContact CG1-CG1 3.81Å; V84-V86 PolarHBondContact O-N 2.85Å; V86-A88 PolarHBondContact O-N 3.48Å; V86-P93 HydrophobicContact CG1-CB 4.11Å; V86-Y152 HydrophobicContact CG1-CD1 4.35Å; V86-Y152 HydrophobicContact CG1-CG 4.31Å; V86-W153 WeakPolarHBondContact CG2-O 3.44Å; V86-W153 PolarHBondContact N-O 3.42Å; V86-F154 HydrophobicContact CG2-CB 4.16Å; V86-F154 HydrophobicContact CG2-CD1 4.25Å; V86-N162 HydrophobicContact CB-CB 4.31Å; V86-N162 HydrophobicContact CG2-CB 4.09Å; V86-N162 CarbonylContact O-C 3.54Å; V86-N162 WeakPolarHBondContact O-CA 3.45Å; V86-N162 VanDerWaalsContact O-CB 3.28Å; V86-N162 WeakPolarHBondContact O-CB 3.38Å; V86-C163 PolarHBondContact O-N 3.25Å; V86-L164 HydrophobicContact CB-CD1 4.43Å; V86-L164 HydrophobicContact CB-CD2 4.29Å; V86-L164 HydrophobicContact CB-CG 4.2Å; V86-L164 HydrophobicContact CG1-CD1 4.2Å; V86-L164 HydrophobicContact CG1-CD2 3.85Å; V86-L164 HydrophobicContact CG1-CG 4.16Å; V86-L240 HydrophobicContact CG2-CD1 3.64Å
87S95.2Very high93.6Very high13 Ų1353.9 Ų53.99%0.09131%0.306CS..BIsolated β-bridgetrans-52.1137.1-179.4-61.80000111.8N85 S89 L90 W153N85-S87 VanDerWaalsContact OD1-CB 3.29Å; N85-S87 WeakPolarHBondContact OD1-CB 3.41Å; N85-S87 PolarHBondContact OD1-N 3.14Å; N85-S87 PolarHBondContact OD1-OG 3.32Å; S87-S89 PolarHBondContact O-N 2.99Å; S87-L90 WeakPolarHBondContact O-CB 3.46Å; S87-L90 PolarHBondContact O-N 3.48Å; S87-W153 WeakPolarHBondContact OG-CZ3 3.42Å
88A93.6Very high93.8Very high45 Ų4547.2 Ų47.237%0.37230%0.295SS..THydrogen-bonded Turntrans-56.1-23.3-179.400000114.9V86 L90 E161V86-A88 PolarHBondContact O-N 3.48Å; A88-L90 PolarHBondContact O-N 3.29Å; A88-E161 HydrophobicContact CB-CB 3.75Å
89S92.2Very high94.3Very high103 Ų10345.7 Ų45.772%0.7227%0.274SS*.THydrogen-bonded Turntrans-73.6-9.517661.40000114.2S87S87-S89 PolarHBondContact O-N 2.99Å
90L94.2Very high94.8Very high58 Ų5847.3 Ų47.330%0.30427%0.272SS..SBendtrans-88.5142.5177.5-62.4178.7000110.7N85 S87 A88 K92 C163N85-L90 HydrophobicContact CB-CD1 4.02Å; N85-L90 WeakPolarHBondContact O-CD1 3.29Å; S87-L90 WeakPolarHBondContact O-CB 3.46Å; S87-L90 PolarHBondContact O-N 3.48Å; A88-L90 PolarHBondContact O-N 3.29Å; L90-K92 VanDerWaalsContact C-N 3.31Å; L90-C163 HydrophobicContact CB-CB 4.48Å; L90-C163 WeakPolarHBondContact O-CB 3.42Å
91E93.8Very high95Very high194 Ų19449 Ų4991%0.90729%0.29SS*.SBendtrans-69.5-32.3171.7-172.2-175.5177.400111.8
92K95.8Very high94.9Very high144 Ų14456.2 Ų56.263%0.62632%0.316SS*.SBendtrans-149.5151.8-179.163-178.6179-178.50111.2L90L90-K92 VanDerWaalsContact C-N 3.31Å
93P97.5Very high94.7Very high6 Ų655.9 Ų55.94%0.03931%0.313CS..  trans-65.1146176.428-35.4000111.2V84 N85 V86 L164 T167 P195 L198V84-P93 HydrophobicContact CG1-CB 3.78Å; N85-P93 WeakPolarHBondContact O-CA 3.47Å; V86-P93 HydrophobicContact CG1-CB 4.11Å; P93-L164 HydrophobicContact CB-CD2 4.11Å; P93-L164 HydrophobicContact CG-CD2 4.1Å; P93-T167 HydrophobicContact CG-CG2 4.29Å; P93-P195 HydrophobicContact CB-CB 4.24Å; P93-P195 HydrophobicContact CB-CG 3.81Å; P93-P195 HydrophobicContact CG-CB 3.5Å; P93-P195 VanDerWaalsContact CG-CB 3.5Å; P93-P195 HydrophobicContact CG-CG 3.6Å; P93-L198 HydrophobicContact CB-CD1 4.29Å
94A97.7Very high94.3Very high42 Ų4257.9 Ų57.935%0.34733%0.325SS..EExtended strand (participates in β ladder)trans-146.5145.2-17900000111.8V84 N85V84-A94 CarbonylContact C-O 3.58Å; V84-A94 WeakPolarHBondContact CA-O 3.45Å; N85-A94 PolarHBondContact N-O 3.21Å; N85-A94 PolarHBondContact O-N 3.3Å
95V97.4Very high93.9Very high31 Ų3159.7 Ų59.719%0.18834%0.344CS..EExtended strand (participates in β ladder)trans-66.6136172178.90000109.9P82 V83 V84 L198 E201 T202P82-V95 HydrophobicContact CB-CG1 4.22Å; V83-V95 CarbonylContact O-C 3.59Å; V83-V95 WeakPolarHBondContact O-CA 3.18Å; V84-V95 HydrophobicContact CG2-CG2 4.33Å; V95-L198 HydrophobicContact CG2-CD1 4.3Å; V95-E201 WeakPolarHBondContact CB-OE1 3.45Å; V95-E201 VanDerWaalsContact CG2-CD 3.45Å; V95-E201 HydrophobicContact CG2-CG 4.11Å; V95-E201 WeakPolarHBondContact CG2-OE1 3.27Å; V95-T202 HydrophobicContact CG2-CG2 4.47Å
96S95.8Very high93.7Very high22 Ų2259.6 Ų59.615%0.15434%0.343CS..  trans-122.2107.8-177.9-171.80000112.2V83 A98 Q99 R100V83-S96 PolarHBondContact O-N 3.43Å; S96-A98 VanDerWaalsContact C-N 3.27Å; S96-A98 PolarHBondContact O-N 3.15Å; S96-Q99 PolarHBondContact O-N 3.21Å; S96-Q99 PolarHBondContact OG-N 3.28Å; S96-R100 WeakPolarHBondContact O-CB 3.14Å; S96-R100 PolarHBondContact O-N 3.47Å
97N92.8Very high93.6Very high125 Ų12559.6 Ų59.667%0.66834%0.343SS*.Hα-helixtrans-65.7-30.6173.5-69.2-34.1000112.7R100 G101N97-R100 PolarHBondContact O-N 2.86Å; N97-G101 PolarHBondContact O-N 2.96Å
98A92.9Very high93.5Very high70 Ų7060.7 Ų60.758%0.57935%0.353SS*.Hα-helixtrans-64.5-46.3177.300000111.2S96 G101 R102S96-A98 VanDerWaalsContact C-N 3.27Å; S96-A98 PolarHBondContact O-N 3.15Å; A98-G101 PolarHBondContact O-N 2.84Å; A98-R102 PolarHBondContact O-N 3.2Å; A98-R102 VanDerWaalsContact O-N 3.16Å
99Q94.1Very high93.4Very high22 Ų2262 Ų6210%0.10335%0.353CS..Hα-helixtrans-70.5-35.9177.8-56.5-54.9-15.700111.9V83 S96 G101 R102 L103 W153V83-Q99 HydrophobicContact CB-CB 4.18Å; V83-Q99 HydrophobicContact CG1-CB 3.68Å; S96-Q99 PolarHBondContact O-N 3.21Å; S96-Q99 PolarHBondContact OG-N 3.28Å; Q99-G101 VanDerWaalsContact C-N 3.27Å; Q99-G101 PolarHBondContact O-N 3.43Å; Q99-R102 PolarHBondContact O-N 2.83Å; Q99-R102 VanDerWaalsContact O-N 3.13Å; Q99-L103 PolarHBondContact O-N 2.82Å; Q99-W153 HydrophobicContact CB-CD2 4.5Å; Q99-W153 HydrophobicContact CB-CG 4.16Å; Q99-W153 HydrophobicContact CG-CB 4.47Å; Q99-W153 HydrophobicContact CG-CD2 3.68Å; Q99-W153 HydrophobicContact CG-CE3 4.04Å; Q99-W153 HydrophobicContact CG-CG 3.85Å
100R92.3Very high93.5Very high58 Ų5857.2 Ų57.222%0.21932%0.32CS..Hα-helixtrans-58.4-38.5170.8-169.9176.9-176.1-174.40.6112.7G78 G79 G80 V83 S96 N97 T104G78-R100 PolarHBondContact O-NH2 3.24Å; G79-R100 WeakPolarHBondContact O-CD 3.46Å; G79-R100 WeakPolarHBondContact O-CG 3.47Å; G79-R100 PolarHBondContact O-NE 3.04Å; G80-R100 VanDerWaalsContact O-CZ 3.28Å; G80-R100 PolarHBondContact O-NE 3.08Å; G80-R100 PolarHBondContact O-NH2 2.97Å; V83-R100 HydrophobicContact CB-CB 4.43Å; V83-R100 HydrophobicContact CG2-CB 3.95Å; V83-R100 HydrophobicContact CG2-CG 4.4Å; S96-R100 WeakPolarHBondContact O-CB 3.14Å; S96-R100 PolarHBondContact O-N 3.47Å; N97-R100 PolarHBondContact O-N 2.86Å; R100-T104 PolarHBondContact O-N 2.88Å; R100-T104 PolarHBondContact O-OG1 3.13Å
101G90.3Very high93.5Very high47 Ų4755 Ų5549%0.48531%0.308SS..Hα-helixtrans-64.2-42.4172.900000113N97 A98 Q99 T104N97-G101 PolarHBondContact O-N 2.96Å; A98-G101 PolarHBondContact O-N 2.84Å; Q99-G101 VanDerWaalsContact C-N 3.27Å; Q99-G101 PolarHBondContact O-N 3.43Å; G101-T104 WeakPolarHBondContact O-CB 3.5Å; G101-T104 PolarHBondContact O-N 3.32Å
102R90.9Very high93.4Very high165 Ų16550.3 Ų50.362%0.62329%0.289SS*.Hα-helixtrans-63.4-43.5176-68.8-171.9-178-166.1-2.5112.6A98 Q99 T104 G105 E106A98-R102 PolarHBondContact O-N 3.2Å; A98-R102 VanDerWaalsContact O-N 3.16Å; Q99-R102 PolarHBondContact O-N 2.83Å; Q99-R102 VanDerWaalsContact O-N 3.13Å; R102-T104 PolarHBondContact O-N 3.1Å; R102-T104 VanDerWaalsContact O-N 3.13Å; R102-G105 WeakPolarHBondContact O-CA 3.36Å; R102-G105 PolarHBondContact O-N 3.49Å; R102-E106 PolarHBondContact O-N 3.13Å
103L91.8Very high93.3Very high2 Ų244.5 Ų44.51%0.0126%0.264CS..Hα-helixtrans-52.6-37175.5179.659.9000111.9P81 V83 Q99 G105 E106 V107 T140 I141 L144P81-L103 HydrophobicContact CG-CD2 4.41Å; V83-L103 HydrophobicContact CG2-CD2 3.97Å; Q99-L103 PolarHBondContact O-N 2.82Å; L103-G105 VanDerWaalsContact C-N 3.29Å; L103-G105 PolarHBondContact O-N 2.96Å; L103-E106 PolarHBondContact O-N 3.26Å; L103-V107 HydrophobicContact CD1-CG2 4.1Å; L103-V107 HydrophobicContact CG-CG2 4.13Å; L103-V107 WeakPolarHBondContact O-CB 3.44Å; L103-V107 WeakPolarHBondContact O-CG2 3.49Å; L103-V107 PolarHBondContact O-N 2.94Å; L103-T140 HydrophobicContact CB-CG2 4.49Å; L103-T140 HydrophobicContact CD1-CG2 3.72Å; L103-T140 HydrophobicContact CD2-CG2 3.93Å; L103-T140 HydrophobicContact CG-CG2 4.26Å; L103-I141 HydrophobicContact CD1-CD1 3.82Å; L103-L144 HydrophobicContact CD1-CD2 3.93Å
104T90.1Very high93Very high41 Ų4144.3 Ų44.325%0.25226%0.263SS..Hα-helixtrans-62.9-35.2178.4-54.10000112.1L76 R100 G101 R102 A108L76-T104 HydrophobicContact CD2-CG2 3.57Å; L76-T104 WeakPolarHBondContact CD2-O 3.42Å; R100-T104 PolarHBondContact O-N 2.88Å; R100-T104 PolarHBondContact O-OG1 3.13Å; G101-T104 WeakPolarHBondContact O-CB 3.5Å; G101-T104 PolarHBondContact O-N 3.32Å; R102-T104 PolarHBondContact O-N 3.1Å; R102-T104 VanDerWaalsContact O-N 3.13Å; T104-A108 PolarHBondContact O-N 3.16Å
105G90Very high92.6Very high39 Ų3946.3 Ų46.340%0.40227%0.265SS..Hα-helixtrans-67.4-49.9173.700000112R102 L103 V107 A108 D109R102-G105 WeakPolarHBondContact O-CA 3.36Å; R102-G105 PolarHBondContact O-N 3.49Å; L103-G105 VanDerWaalsContact C-N 3.29Å; L103-G105 PolarHBondContact O-N 2.96Å; G105-V107 VanDerWaalsContact C-N 3.26Å; G105-V107 PolarHBondContact O-N 3.13Å; G105-A108 WeakPolarHBondContact O-CB 3.39Å; G105-A108 PolarHBondContact O-N 3.36Å; G105-D109 PolarHBondContact O-N 3.18Å; G105-D109 VanDerWaalsContact O-N 3.09Å
106E92.8Very high92.3Very high25 Ų2549.4 Ų49.412%0.11728%0.278CS..Hα-helixtrans-58.3-38.9178.1-58.1170158.200111.6R102 L103 A108 D109 F110 W136 N137 I141R102-E106 PolarHBondContact O-N 3.13Å; L103-E106 PolarHBondContact O-N 3.26Å; E106-A108 PolarHBondContact O-N 3.4Å; E106-D109 PolarHBondContact O-N 3.39Å; E106-F110 WeakPolarHBondContact O-CB 3.27Å; E106-F110 PolarHBondContact O-N 3.26Å; E106-W136 HydrophobicContact CB-CD2 4.41Å; E106-W136 HydrophobicContact CB-CG 4.4Å; E106-W136 HydrophobicContact CG-CG 4.11Å; E106-W136 WeakPolarHBondContact OE1-CA 3.18Å; E106-N137 PolarHBondContact OE1-N 3Å; E106-I141 HydrophobicContact CB-CD1 3.9Å; E106-I141 WeakPolarHBondContact OE2-CD1 3.44Å
107V93.9Very high92Very high0 Ų049 Ų490%027%0.273CS..Hα-helixtrans-63-40175170.30000112.1L72 T75 L76 L103 G105 F110 L111 L144L72-V107 HydrophobicContact CB-CG1 3.93Å; L72-V107 HydrophobicContact CD2-CG1 4.06Å; L72-V107 HydrophobicContact CD2-CG2 4.4Å; L72-V107 WeakPolarHBondContact O-CG1 3.37Å; T75-V107 HydrophobicContact CG2-CB 4.42Å; T75-V107 HydrophobicContact CG2-CG1 4.14Å; T75-V107 HydrophobicContact CG2-CG2 3.66Å; L76-V107 HydrophobicContact CD1-CG1 4.47Å; L76-V107 HydrophobicContact CD2-CB 3.95Å; L76-V107 HydrophobicContact CD2-CG1 3.6Å; L76-V107 HydrophobicContact CG-CG1 3.68Å; L103-V107 HydrophobicContact CD1-CG2 4.1Å; L103-V107 HydrophobicContact CG-CG2 4.13Å; L103-V107 WeakPolarHBondContact O-CB 3.44Å; L103-V107 WeakPolarHBondContact O-CG2 3.49Å; L103-V107 PolarHBondContact O-N 2.94Å; G105-V107 VanDerWaalsContact C-N 3.26Å; G105-V107 PolarHBondContact O-N 3.13Å; V107-F110 PolarHBondContact O-N 2.98Å; V107-L111 HydrophobicContact CG1-CD1 4.27Å; V107-L111 PolarHBondContact O-N 3.41Å; V107-L144 HydrophobicContact CG2-CD2 3.46Å; V107-L144 VanDerWaalsContact CG2-CD2 3.46Å
108A93.1Very high91.7Very high36 Ų3648 Ų4830%0.29826%0.26SS..Hα-helixtrans-65.7-43.4178.800000110.5L76 T104 G105 E106 F110 L111 L112L76-A108 HydrophobicContact CD2-CB 4.23Å; T104-A108 PolarHBondContact O-N 3.16Å; G105-A108 WeakPolarHBondContact O-CB 3.39Å; G105-A108 PolarHBondContact O-N 3.36Å; E106-A108 PolarHBondContact O-N 3.4Å; A108-F110 PolarHBondContact O-N 2.99Å; A108-L111 PolarHBondContact O-N 3.28Å; A108-L112 WeakPolarHBondContact O-CG 3.33Å; A108-L112 PolarHBondContact O-N 2.94Å
109D92.7Very high91.5Very high71 Ų7153.5 Ų53.538%0.3827%0.266SS..Hα-helixtrans-63-41.6175.9-68.3-25.5000111.8G105 E106 L112 L113 W136G105-D109 PolarHBondContact O-N 3.18Å; G105-D109 VanDerWaalsContact O-N 3.09Å; E106-D109 PolarHBondContact O-N 3.39Å; D109-L112 PolarHBondContact O-N 3.04Å; D109-L113 PolarHBondContact O-N 3.43Å; D109-W136 HydrophobicContact CB-CZ2 3.98Å
110F93.4Very high91Very high3 Ų358 Ų581%0.01329%0.287CS..Hα-helixtrans-62.8-42175.7-164-74.1000111.9L54 L68 L72 E106 V107 A108 L113 L114 V129 W136 L145L54-F110 HydrophobicContact CD1-CE2 4.39Å; L54-F110 HydrophobicContact CD1-CZ 4.05Å; L54-F110 HydrophobicContact CD2-CE2 4.16Å; L54-F110 HydrophobicContact CD2-CZ 3.75Å; L68-F110 HydrophobicContact CD2-CE1 3.74Å; L68-F110 HydrophobicContact CD2-CZ 4.15Å; L72-F110 HydrophobicContact CD1-CB 4.44Å; L72-F110 HydrophobicContact CD1-CD1 3.38Å; L72-F110 HydrophobicContact CD1-CE1 3.99Å; L72-F110 HydrophobicContact CD1-CG 4.17Å; E106-F110 WeakPolarHBondContact O-CB 3.27Å; E106-F110 PolarHBondContact O-N 3.26Å; V107-F110 PolarHBondContact O-N 2.98Å; A108-F110 PolarHBondContact O-N 2.99Å; F110-L113 WeakPolarHBondContact O-CB 3.41Å; F110-L113 PolarHBondContact O-N 3.11Å; F110-L114 WeakPolarHBondContact O-CB 3.18Å; F110-L114 PolarHBondContact O-N 3.32Å; F110-V129 HydrophobicContact CE2-CG2 4.11Å; F110-W136 HydrophobicContact CB-CH2 4.01Å; F110-W136 AromaticContact CD2-CH2 3.71Å; F110-W136 HydrophobicContact CD2-CH2 3.71Å; F110-W136 AromaticContact CD2-CZ3 3.64Å; F110-W136 HydrophobicContact CD2-CZ3 3.64Å; F110-W136 HydrophobicContact CE2-CZ3 4.36Å; F110-W136 HydrophobicContact CG-CH2 4.34Å; F110-L145 HydrophobicContact CE1-CD2 4.38Å; F110-L145 HydrophobicContact CE2-CD1 4.29Å; F110-L145 HydrophobicContact CE2-CD2 4.14Å; F110-L145 HydrophobicContact CZ-CD2 4Å
111L93.9Very high90.2Very high13 Ų1361.8 Ų61.87%0.06831%0.311CS..Hα-helixtrans-62.2-44.4177.4-85.1168.5000111.9R69 L72 E73 L76 V107 A108 L113 L114 E115R69-L111 HydrophobicContact CG-CD2 4.02Å; L72-L111 HydrophobicContact CB-CD1 3.88Å; L72-L111 HydrophobicContact CB-CD2 3.73Å; L72-L111 HydrophobicContact CB-CG 3.71Å; L72-L111 HydrophobicContact CD1-CD2 4.02Å; L72-L111 HydrophobicContact CD1-CG 4.03Å; E73-L111 HydrophobicContact CG-CD1 4.26Å; E73-L111 HydrophobicContact CG-CD2 4.32Å; L76-L111 HydrophobicContact CD1-CD1 3.44Å; L76-L111 VanDerWaalsContact CD1-CD1 3.44Å; L76-L111 HydrophobicContact CG-CD1 4.12Å; V107-L111 HydrophobicContact CG1-CD1 4.27Å; V107-L111 PolarHBondContact O-N 3.41Å; A108-L111 PolarHBondContact O-N 3.28Å; L111-L113 VanDerWaalsContact C-N 3.32Å; L111-L113 PolarHBondContact O-N 3.21Å; L111-L114 PolarHBondContact O-N 3.09Å; L111-E115 WeakPolarHBondContact O-CG 3.37Å; L111-E115 PolarHBondContact O-N 3.09Å
112L92.9Very high89.6Confident94 Ų9462.8 Ų62.849%0.49230%0.303SS..Hα-helixtrans-59.1-45.4175.8-70.5172.2000111.3A108 D109 L114 E115 E116A108-L112 WeakPolarHBondContact O-CG 3.33Å; A108-L112 PolarHBondContact O-N 2.94Å; D109-L112 PolarHBondContact O-N 3.04Å; L112-L114 PolarHBondContact O-N 3.42Å; L112-E115 PolarHBondContact O-N 3.37Å; L112-E116 WeakPolarHBondContact O-CB 3.16Å; L112-E116 WeakPolarHBondContact O-CG 3.34Å; L112-E116 PolarHBondContact O-N 3.26Å
113L92.3Very high88.7Confident22 Ų2256.3 Ų56.312%0.11529%0.285CS..Hα-helixtrans-59.3-46.1176.3177.971.1000111.8D109 F110 L111 E115 E116 F117 L127 V129D109-L113 PolarHBondContact O-N 3.43Å; F110-L113 WeakPolarHBondContact O-CB 3.41Å; F110-L113 PolarHBondContact O-N 3.11Å; L111-L113 VanDerWaalsContact C-N 3.32Å; L111-L113 PolarHBondContact O-N 3.21Å; L113-E115 VanDerWaalsContact C-N 3.33Å; L113-E115 PolarHBondContact O-N 2.94Å; L113-E116 PolarHBondContact O-N 3.41Å; L113-F117 WeakPolarHBondContact O-CB 3.45Å; L113-F117 PolarHBondContact O-N 3.49Å; L113-L127 HydrophobicContact CD1-CD1 4.13Å; L113-L127 HydrophobicContact CD2-CD1 4.11Å; L113-L127 HydrophobicContact CG-CD1 3.93Å; L113-V129 HydrophobicContact CD2-CB 4.14Å; L113-V129 HydrophobicContact CD2-CG1 4.1Å; L113-V129 HydrophobicContact CD2-CG2 3.93Å
114L91.5Very high88.3Confident2 Ų262.2 Ų62.21%0.0132%0.317CS..Hα-helixtrans-63.8-39179.2-176.363.5000111.8L52 I63 A65 R69 F110 L111 L112 R118 L127L52-L114 HydrophobicContact CD1-CD1 4.13Å; I63-L114 HydrophobicContact CD1-CD1 4.37Å; A65-L114 HydrophobicContact CB-CD1 4.49Å; R69-L114 HydrophobicContact CB-CD2 4.06Å; F110-L114 WeakPolarHBondContact O-CB 3.18Å; F110-L114 PolarHBondContact O-N 3.32Å; L111-L114 PolarHBondContact O-N 3.09Å; L112-L114 PolarHBondContact O-N 3.42Å; L114-R118 VanDerWaalsContact O-CG 3.3Å; L114-R118 WeakPolarHBondContact O-CG 3.09Å; L114-R118 PolarHBondContact O-N 3.47Å; L114-R118 VanDerWaalsContact O-N 3.12Å; L114-L127 HydrophobicContact CD1-CD2 4.09Å
115E90.7Very high88.4Confident84 Ų8465.7 Ų65.739%0.39333%0.328SS..Hα-helixtrans-68.1-43.6177-73.2-173.4158.800112.3R69 L111 L112 L113 R118 R119R69-E115 IonicContact CZ-OE1 2.7Å; R69-E115 IonicContact NH2-OE1 2.76Å; R69-E115 PolarHBondContact NH2-OE1 2.87Å; L111-E115 WeakPolarHBondContact O-CG 3.37Å; L111-E115 PolarHBondContact O-N 3.09Å; L112-E115 PolarHBondContact O-N 3.37Å; L113-E115 VanDerWaalsContact C-N 3.33Å; L113-E115 PolarHBondContact O-N 2.94Å; E115-R118 PolarHBondContact O-N 2.74Å; E115-R119 WeakPolarHBondContact O-CB 3.13Å; E115-R119 PolarHBondContact O-N 3.4Å
116E90.9Very high88.6Confident97 Ų9764.4 Ų64.445%0.45331%0.313SS..Hα-helixtrans-58.9-49.2175-75.6178.817000111L112 L113 R118 R119 H120L112-E116 WeakPolarHBondContact O-CB 3.16Å; L112-E116 WeakPolarHBondContact O-CG 3.34Å; L112-E116 PolarHBondContact O-N 3.26Å; L113-E116 PolarHBondContact O-N 3.41Å; E116-R118 VanDerWaalsContact C-N 3.34Å; E116-R118 PolarHBondContact O-N 2.85Å; E116-R119 WeakPolarHBondContact O-CB 3.37Å; E116-R119 PolarHBondContact O-N 3.45Å; E116-R119 VanDerWaalsContact O-N 3.13Å; E116-H120 PolarHBondContact O-CD2 2.84Å; E116-H120 PolarHBondContact O-N 2.96Å
117F89.8Confident88.6Confident13 Ų1363.4 Ų63.46%0.05731%0.308CS..Hα-helixtrans-58-44.9178.9-174.6-96.5000112.5L52 L113 R119 H120 E122 K125 L127L52-F117 HydrophobicContact CD1-CD1 4.11Å; L52-F117 HydrophobicContact CD1-CE1 4.03Å; L52-F117 HydrophobicContact CD2-CE1 4.14Å; L113-F117 WeakPolarHBondContact O-CB 3.45Å; L113-F117 PolarHBondContact O-N 3.49Å; F117-R119 VanDerWaalsContact C-N 3.32Å; F117-R119 PolarHBondContact O-N 3.26Å; F117-H120 PolarHBondContact O-N 3.43Å; F117-E122 HydrophobicContact CD2-CB 4.1Å; F117-E122 HydrophobicContact CE1-CB 4.34Å; F117-E122 HydrophobicContact CE2-CB 3.58Å; F117-E122 HydrophobicContact CZ-CB 3.72Å; F117-E122 WeakPolarHBondContact CZ-O 3.32Å; F117-K125 WeakPolarHBondContact CZ-O 3.4Å; F117-L127 HydrophobicContact CB-CD1 3.88Å; F117-L127 HydrophobicContact CB-CD2 4.48Å; F117-L127 HydrophobicContact CD1-CB 4.34Å; F117-L127 HydrophobicContact CD2-CB 4.01Å; F117-L127 HydrophobicContact CD2-CD1 3.56Å; F117-L127 HydrophobicContact CD2-CG 4.32Å; F117-L127 HydrophobicContact CE1-CB 4.25Å; F117-L127 HydrophobicContact CE2-CB 3.9Å; F117-L127 HydrophobicContact CE2-CD1 4.22Å; F117-L127 HydrophobicContact CG-CB 4.21Å; F117-L127 HydrophobicContact CG-CD1 3.77Å; F117-L127 HydrophobicContact CG-CD2 4.4Å; F117-L127 HydrophobicContact CG-CG 4.35Å; F117-L127 HydrophobicContact CZ-CB 4.01Å
118R86.4Confident88.6Confident104 Ų10468.1 Ų68.139%0.39233%0.327SS..Hα-helixtrans-65.8-33.8177.6-73.3-179.974.71525.9112.8D66 L114 E115 E116 H120 D121D66-R118 IonicContact OD1-CZ 2.76Å; D66-R118 VanDerWaalsContact OD1-CZ 3.27Å; D66-R118 IonicContact OD1-NH1 3.27Å; D66-R118 PolarHBondContact OD1-NH1 2.92Å; D66-R118 IonicContact OD1-NH2 3.78Å; D66-R118 PolarHBondContact OD1-NH2 3.49Å; L114-R118 VanDerWaalsContact O-CG 3.3Å; L114-R118 WeakPolarHBondContact O-CG 3.09Å; L114-R118 PolarHBondContact O-N 3.47Å; L114-R118 VanDerWaalsContact O-N 3.12Å; E115-R118 PolarHBondContact O-N 2.74Å; E116-R118 VanDerWaalsContact C-N 3.34Å; E116-R118 PolarHBondContact O-N 2.85Å; R118-H120 VanDerWaalsContact C-N 3.26Å; R118-H120 PolarHBondContact O-N 3.04Å; R118-D121 PolarHBondContact O-N 3.46Å
119R86.9Confident88.6Confident186 Ų18666.8 Ų66.870%0.70232%0.315SS*.Hα-helixtrans-67.1-28.7178.6-168.3-175.865.6170.3-2.9112.4E115 E116 F117 D121E115-R119 WeakPolarHBondContact O-CB 3.13Å; E115-R119 PolarHBondContact O-N 3.4Å; E116-R119 WeakPolarHBondContact O-CB 3.37Å; E116-R119 PolarHBondContact O-N 3.45Å; E116-R119 VanDerWaalsContact O-N 3.13Å; F117-R119 VanDerWaalsContact C-N 3.32Å; F117-R119 PolarHBondContact O-N 3.26Å; R119-D121 VanDerWaalsContact C-N 3.33Å
120H84.9Confident88.1Confident116 Ų11665.4 Ų65.454%0.53732%0.318SS..THydrogen-bonded Turntrans-88.43.4179.8-71.3-68.3000114E116 F117 R118 E122E116-H120 PolarHBondContact O-CD2 2.84Å; E116-H120 PolarHBondContact O-N 2.96Å; F117-H120 PolarHBondContact O-N 3.43Å; R118-H120 VanDerWaalsContact C-N 3.26Å; R118-H120 PolarHBondContact O-N 3.04Å; H120-E122 HydrophobicContact CB-CG 3.83Å; H120-E122 PolarHBondContact O-N 3.15Å
121D76.2Confident87.6Confident138 Ų13873.3 Ų73.374%0.73836%0.355SS*.THydrogen-bonded Turntrans49.339.3-179-161.223.1000113.5R118 R119 A123R118-D121 PolarHBondContact O-N 3.46Å; R119-D121 VanDerWaalsContact C-N 3.33Å; D121-A123 PolarHBondContact O-N 2.98Å; D121-A123 VanDerWaalsContact O-N 3.16Å
122E77.7Confident86.8Confident68 Ų6878 Ų7832%0.31838%0.375SS..  trans-85.127.9-177.9-60.3-152.312600113F117 H120 D124 K125F117-E122 HydrophobicContact CD2-CB 4.1Å; F117-E122 HydrophobicContact CE1-CB 4.34Å; F117-E122 HydrophobicContact CE2-CB 3.58Å; F117-E122 HydrophobicContact CZ-CB 3.72Å; F117-E122 WeakPolarHBondContact CZ-O 3.32Å; H120-E122 HydrophobicContact CB-CG 3.83Å; H120-E122 PolarHBondContact O-N 3.15Å; E122-D124 PolarHBondContact O-N 3.36Å; E122-K125 HydrophobicContact CB-CD 4.5Å; E122-K125 PolarHBondContact O-N 3.43Å; E122-K125 IonicContact OE1-NZ 3.44Å; E122-K125 PolarHBondContact OE1-NZ 3.41Å
123A71.4Confident86.4Confident29 Ų2973.7 Ų73.724%0.2435%0.352CS..THydrogen-bonded Turntrans-61-12.6-172.300000115.4Q35 R42 L52 D121Q35-A123 PolarHBondContact NE2-O 3.09Å; R42-A123 PolarHBondContact NH1-O 3.46Å; L52-A123 HydrophobicContact CD2-CB 4.32Å; D121-A123 PolarHBondContact O-N 2.98Å; D121-A123 VanDerWaalsContact O-N 3.16Å
124D82.9Confident86.1Confident126 Ų12677.4 Ų77.467%0.67437%0.372SS*.THydrogen-bonded Turntrans-95.9-1176.1-70.4-28.9000113.8Q35 R42 E122Q35-D124 WeakPolarHBondContact CG-O 3.49Å; Q35-D124 VanDerWaalsContact NE2-C 3.26Å; Q35-D124 PolarHBondContact NE2-O 3.43Å; Q35-D124 VanDerWaalsContact NE2-O 3.17Å; R42-D124 IonicContact NH1-OD1 3.26Å; E122-D124 PolarHBondContact O-N 3.36Å
125K91.8Very high85.9Confident113 Ų11384.6 Ų84.649%0.49141%0.411SS..SBendtrans-112.6155.5173.8-60.2-179.8-169.1166.20110.5F117 E122F117-K125 WeakPolarHBondContact CZ-O 3.4Å; E122-K125 HydrophobicContact CB-CD 4.5Å; E122-K125 PolarHBondContact O-N 3.43Å; E122-K125 IonicContact OE1-NZ 3.44Å; E122-K125 PolarHBondContact OE1-NZ 3.41Å
126P94.2Very high86Confident13 Ų1381.1 Ų81.18%0.08439%0.394CS..PPolyproline II helixtrans-63.8142.1165-15.329.2000110.9A31 Q35 T53 Y128A31-P126 HydrophobicContact CB-CB 3.88Å; A31-P126 HydrophobicContact CB-CG 3.99Å; Q35-P126 HydrophobicContact CB-CG 3.95Å; Q35-P126 HydrophobicContact CG-CG 4.4Å; T53-P126 HydrophobicContact CG2-CB 4.08Å; T53-P126 HydrophobicContact CG2-CG 4.49Å; T53-P126 WeakPolarHBondContact O-CA 3.17Å; P126-Y128 HydrophobicContact CB-CD2 4.36Å; P126-Y128 HydrophobicContact CB-CE2 3.72Å; P126-Y128 HydrophobicContact CG-CE2 4.07Å; P126-Y128 WeakPolarHBondContact O-CD2 3.04Å; P126-Y128 WeakPolarHBondContact O-CE2 3.3Å
127L94.3Very high86.2Confident4 Ų477 Ų772%0.02138%0.375CS..EExtended strand (participates in β ladder)trans-79.5116.1164.7169.554.9000108.5T53 L54 D55 L113 L114 F117T53-L127 PolarHBondContact O-N 2.78Å; L54-L127 CarbonylContact C-O 3.4Å; L54-L127 WeakPolarHBondContact CA-O 3.41Å; L54-L127 HydrophobicContact CD1-CB 4.18Å; L54-L127 HydrophobicContact CD1-CD2 3.86Å; L54-L127 HydrophobicContact CD1-CG 3.74Å; D55-L127 PolarHBondContact N-O 3.35Å; L113-L127 HydrophobicContact CD1-CD1 4.13Å; L113-L127 HydrophobicContact CD2-CD1 4.11Å; L113-L127 HydrophobicContact CG-CD1 3.93Å; L114-L127 HydrophobicContact CD1-CD2 4.09Å; F117-L127 HydrophobicContact CB-CD1 3.88Å; F117-L127 HydrophobicContact CB-CD2 4.48Å; F117-L127 HydrophobicContact CD1-CB 4.34Å; F117-L127 HydrophobicContact CD2-CB 4.01Å; F117-L127 HydrophobicContact CD2-CD1 3.56Å; F117-L127 HydrophobicContact CD2-CG 4.32Å; F117-L127 HydrophobicContact CE1-CB 4.25Å; F117-L127 HydrophobicContact CE2-CB 3.9Å; F117-L127 HydrophobicContact CE2-CD1 4.22Å; F117-L127 HydrophobicContact CG-CB 4.21Å; F117-L127 HydrophobicContact CG-CD1 3.77Å; F117-L127 HydrophobicContact CG-CD2 4.4Å; F117-L127 HydrophobicContact CG-CG 4.35Å; F117-L127 HydrophobicContact CZ-CB 4.01Å
128Y93.7Very high86.3Confident99 Ų9977.4 Ų77.439%0.38838%0.377SS..EExtended strand (participates in β ladder)trans-96.3126.8173.1-62-94.2000109.6A31 E32 D55 P126 G130A31-Y128 HydrophobicContact CB-CE1 4.27Å; E32-Y128 VanDerWaalsContact CD-OH 3.28Å; E32-Y128 PolarHBondContact OE1-OH 3.41Å; D55-Y128 HydrophobicContact CB-CD1 3.58Å; D55-Y128 HydrophobicContact CB-CE1 3.91Å; D55-Y128 HydrophobicContact CB-CG 4.32Å; P126-Y128 HydrophobicContact CB-CD2 4.36Å; P126-Y128 HydrophobicContact CB-CE2 3.72Å; P126-Y128 HydrophobicContact CG-CE2 4.07Å; P126-Y128 WeakPolarHBondContact O-CD2 3.04Å; P126-Y128 WeakPolarHBondContact O-CE2 3.3Å; Y128-G130 VanDerWaalsContact C-N 3.3Å
129V91.3Very high86.7Confident7 Ų773.1 Ų73.14%0.04236%0.364CS..  trans-71.3-31.4172.5-176.30000111.4L54 D55 L56 F110 L113 W136L54-V129 HydrophobicContact CD1-CG2 3.61Å; D55-V129 PolarHBondContact O-N 3.27Å; D55-V129 VanDerWaalsContact O-N 3.09Å; L56-V129 HydrophobicContact CB-CG2 4.48Å; L56-V129 HydrophobicContact CD1-CB 4.03Å; L56-V129 HydrophobicContact CD1-CG1 4.12Å; L56-V129 HydrophobicContact CD1-CG2 3.95Å; F110-V129 HydrophobicContact CE2-CG2 4.11Å; L113-V129 HydrophobicContact CD2-CB 4.14Å; L113-V129 HydrophobicContact CD2-CG1 4.1Å; L113-V129 HydrophobicContact CD2-CG2 3.93Å; V129-W136 HydrophobicContact CG1-CE3 4.33Å; V129-W136 HydrophobicContact CG1-CH2 3.64Å; V129-W136 HydrophobicContact CG1-CZ2 4.47Å; V129-W136 HydrophobicContact CG1-CZ3 3.55Å
130G83.8Confident87.1Confident43 Ų4364.4 Ų64.444%0.44333%0.331SS..G310 helixtrans67.9-162.5176.900000113.4Y128 K132 S133Y128-G130 VanDerWaalsContact C-N 3.3Å; G130-K132 PolarHBondContact O-N 3.11Å; G130-S133 PolarHBondContact O-N 3.17Å; G130-S133 PolarHBondContact O-OG 2.84Å
131E81.8Confident87.6Confident169 Ų16959 Ų5979%0.7931%0.306SS*.G310 helixtrans-57.9-17.4-176.6-61.5177.4177.500113.6S133 D134E131-S133 PolarHBondContact O-N 3.44Å; E131-S133 VanDerWaalsContact O-N 3.17Å; E131-D134 WeakPolarHBondContact O-CB 3.43Å; E131-D134 VanDerWaalsContact O-CG 3.31Å; E131-D134 PolarHBondContact O-N 3Å
132K77.8Confident88.5Confident112 Ų11253.9 Ų53.949%0.48728%0.277SS..G310 helixtrans-58-27.6173.8-75.6-171.3177.1-177.70112.9G130 D134 W136G130-K132 PolarHBondContact O-N 3.11Å; K132-D134 VanDerWaalsContact C-N 3.28Å; K132-D134 PolarHBondContact O-N 3.25Å; K132-W136 PolarHBondContact O-NE1 3.19Å
133S84.8Confident89.4Confident3 Ų351 Ų512%0.02127%0.265CS..G310 helixtrans-78-9.3178.6590000114.4G130 E131 D135 W136G130-S133 PolarHBondContact O-N 3.17Å; G130-S133 PolarHBondContact O-OG 2.84Å; E131-S133 PolarHBondContact O-N 3.44Å; E131-S133 VanDerWaalsContact O-N 3.17Å; S133-D135 PolarHBondContact O-N 2.76Å; S133-W136 WeakPolarHBondContact O-CB 3.29Å; S133-W136 PolarHBondContact O-N 3.37Å; S133-W136 VanDerWaalsContact O-N 3.08Å
134D86.3Confident90.5Very high100 Ų10049.8 Ų49.854%0.53526%0.255SS..G310 helixtrans-65.5-31.1-175.4-66.6-6.5000111.9E131 K132E131-D134 WeakPolarHBondContact O-CB 3.43Å; E131-D134 VanDerWaalsContact O-CG 3.31Å; E131-D134 PolarHBondContact O-N 3Å; K132-D134 VanDerWaalsContact C-N 3.28Å; K132-D134 PolarHBondContact O-N 3.25Å
135D86.8Confident91.1Very high153 Ų15343.8 Ų43.882%0.81822%0.223SC*.G310 helixtrans-86.9-7.7177-69.8-37.5000113.4S133S133-D135 PolarHBondContact O-N 2.76Å
136W92.8Very high91.3Very high11 Ų1139.1 Ų39.14%0.04220%0.203CC..SBendtrans-85.9147.4-175.9-64.6-1.1000111.9L56 E106 D109 F110 V129 K132 S133 L138 I141 Q156L56-W136 HydrophobicContact CD1-CE3 4.36Å; L56-W136 HydrophobicContact CD1-CZ3 4.36Å; E106-W136 HydrophobicContact CB-CD2 4.41Å; E106-W136 HydrophobicContact CB-CG 4.4Å; E106-W136 HydrophobicContact CG-CG 4.11Å; E106-W136 WeakPolarHBondContact OE1-CA 3.18Å; D109-W136 HydrophobicContact CB-CZ2 3.98Å; F110-W136 HydrophobicContact CB-CH2 4.01Å; F110-W136 AromaticContact CD2-CH2 3.71Å; F110-W136 HydrophobicContact CD2-CH2 3.71Å; F110-W136 AromaticContact CD2-CZ3 3.64Å; F110-W136 HydrophobicContact CD2-CZ3 3.64Å; F110-W136 HydrophobicContact CE2-CZ3 4.36Å; F110-W136 HydrophobicContact CG-CH2 4.34Å; V129-W136 HydrophobicContact CG1-CE3 4.33Å; V129-W136 HydrophobicContact CG1-CH2 3.64Å; V129-W136 HydrophobicContact CG1-CZ2 4.47Å; V129-W136 HydrophobicContact CG1-CZ3 3.55Å; K132-W136 PolarHBondContact O-NE1 3.19Å; S133-W136 WeakPolarHBondContact O-CB 3.29Å; S133-W136 PolarHBondContact O-N 3.37Å; S133-W136 VanDerWaalsContact O-N 3.08Å; W136-L138 PolarHBondContact O-N 3.3Å; W136-L138 VanDerWaalsContact O-N 3.13Å; W136-I141 HydrophobicContact CB-CG1 4.17Å; W136-I141 HydrophobicContact CE3-CD1 4.32Å; W136-I141 HydrophobicContact CE3-CG1 4.08Å; W136-I141 HydrophobicContact CE3-CG2 4.37Å; W136-Q156 PolarHBondContact O-NE2 2.87Å; W136-Q156 PolarHBondContact O-OE1 2.95Å
137N94.1Very high91.3Very high9 Ų939.1 Ų39.15%0.04821%0.205CC..  trans-76.7100.5167.1-165.7-86.8000110.7E106 C139 T140 I141 W153 F154E106-N137 PolarHBondContact OE1-N 3Å; N137-C139 VanDerWaalsContact C-N 3.3Å; N137-C139 PolarHBondContact O-N 3.19Å; N137-T140 PolarHBondContact O-N 3.44Å; N137-T140 VanDerWaalsContact O-N 3.13Å; N137-T140 PolarHBondContact OD1-N 2.95Å; N137-T140 PolarHBondContact OD1-OG1 3.27Å; N137-I141 WeakPolarHBondContact O-CG1 3.28Å; N137-I141 PolarHBondContact O-N 2.7Å; N137-W153 PolarHBondContact ND2-NE1 3.06Å; N137-F154 PolarHBondContact ND2-O 3.13Å
138L93.1Very high91.4Very high22 Ų2241.6 Ų41.612%0.11522%0.215CC..Hα-helixtrans-63.8-36.2-172.6-64.1-179.8000112.2L56 N57 W136 T140 I141 F142L56-L138 HydrophobicContact CD1-CD2 4.01Å; L56-L138 HydrophobicContact CD2-CD2 4.41Å; L56-L138 HydrophobicContact CG-CD2 4.17Å; N57-L138 HydrophobicContact CB-CD1 3.75Å; N57-L138 HydrophobicContact CB-CD2 4.41Å; N57-L138 WeakPolarHBondContact ND2-CD1 3.48Å; W136-L138 PolarHBondContact O-N 3.3Å; W136-L138 VanDerWaalsContact O-N 3.13Å; L138-T140 VanDerWaalsContact C-N 3.34Å; L138-T140 PolarHBondContact O-N 3.34Å; L138-I141 PolarHBondContact O-N 2.87Å; L138-F142 HydrophobicContact CB-CD2 4.2Å; L138-F142 HydrophobicContact CB-CE2 4.05Å; L138-F142 WeakPolarHBondContact O-CB 3.43Å; L138-F142 WeakPolarHBondContact O-CD2 3.3Å; L138-F142 PolarHBondContact O-N 3.24Å
139C94.2Very high91.4Very high15 Ų1537.3 Ų37.310%0.10120%0.199CC..Hα-helixtrans-59.4-45.4175.7-175.10000111.4N137 G143 F154N137-C139 VanDerWaalsContact C-N 3.3Å; N137-C139 PolarHBondContact O-N 3.19Å; C139-G143 PolarHBondContact O-N 3.42Å; C139-G143 VanDerWaalsContact O-N 3.17Å; C139-F154 HydrophobicContact CB-CD1 4.34Å; C139-F154 HydrophobicContact CB-CE1 3.68Å; C139-F154 HydrophobicContact CB-CZ 4.4Å
140T95.8Very high91.7Very high2 Ų237.2 Ų37.21%0.01220%0.198CC..Hα-helixtrans-64.1-46.2175.8-56.10000111.4V83 L103 N137 L138 G143 L144 Y152V83-T140 HydrophobicContact CG1-CG2 4.33Å; V83-T140 HydrophobicContact CG2-CG2 4.24Å; L103-T140 HydrophobicContact CB-CG2 4.49Å; L103-T140 HydrophobicContact CD1-CG2 3.72Å; L103-T140 HydrophobicContact CD2-CG2 3.93Å; L103-T140 HydrophobicContact CG-CG2 4.26Å; N137-T140 PolarHBondContact O-N 3.44Å; N137-T140 VanDerWaalsContact O-N 3.13Å; N137-T140 PolarHBondContact OD1-N 2.95Å; N137-T140 PolarHBondContact OD1-OG1 3.27Å; L138-T140 VanDerWaalsContact C-N 3.34Å; L138-T140 PolarHBondContact O-N 3.34Å; T140-G143 PolarHBondContact O-N 3.46Å; T140-L144 PolarHBondContact O-N 2.8Å; T140-Y152 VanDerWaalsContact CA-O 3.3Å; T140-Y152 WeakPolarHBondContact CA-O 3.38Å; T140-Y152 PolarHBondContact N-O 3.17Å; T140-Y152 PolarHBondContact OG1-O 3.02Å
141I95.4Very high92.3Very high3 Ų335.3 Ų35.32%0.01518%0.178CC..Hα-helixtrans-64.2-44.5-178.9-66.3-63.9000111.5L56 L103 E106 W136 N137 L138 G143 L144 L145L56-I141 HydrophobicContact CD2-CG2 3.65Å; L103-I141 HydrophobicContact CD1-CD1 3.82Å; E106-I141 HydrophobicContact CB-CD1 3.9Å; E106-I141 WeakPolarHBondContact OE2-CD1 3.44Å; W136-I141 HydrophobicContact CB-CG1 4.17Å; W136-I141 HydrophobicContact CE3-CD1 4.32Å; W136-I141 HydrophobicContact CE3-CG1 4.08Å; W136-I141 HydrophobicContact CE3-CG2 4.37Å; N137-I141 WeakPolarHBondContact O-CG1 3.28Å; N137-I141 PolarHBondContact O-N 2.7Å; L138-I141 PolarHBondContact O-N 2.87Å; I141-G143 VanDerWaalsContact C-N 3.35Å; I141-G143 PolarHBondContact O-N 3.25Å; I141-L144 WeakPolarHBondContact O-CB 3.12Å; I141-L144 PolarHBondContact O-N 3.33Å; I141-L145 HydrophobicContact CG2-CD1 3.8Å; I141-L145 HydrophobicContact CG2-CG 4Å; I141-L145 WeakPolarHBondContact O-CB 3.19Å; I141-L145 VanDerWaalsContact O-CG 3.29Å; I141-L145 WeakPolarHBondContact O-CG 3.45Å; I141-L145 PolarHBondContact O-N 3.14Å
142F95.4Very high93.1Very high31 Ų3128.1 Ų28.114%0.13614%0.144CC..Hα-helixtrans-59.2-46.4175.8-80.2-62.4000111.4L23 L56 N59 L61 L138 L144 L145 L146L23-F142 HydrophobicContact CD1-CE1 3.98Å; L56-F142 HydrophobicContact CD2-CD1 4.34Å; L56-F142 HydrophobicContact CD2-CE1 3.94Å; L56-F142 HydrophobicContact CD2-CE2 4.44Å; L56-F142 HydrophobicContact CD2-CZ 3.96Å; L56-F142 HydrophobicContact CG-CZ 4.25Å; N59-F142 HydrophobicContact CB-CE1 4.08Å; N59-F142 HydrophobicContact CB-CZ 3.72Å; L61-F142 HydrophobicContact CD1-CE1 4.04Å; L61-F142 HydrophobicContact CD2-CD1 4.33Å; L61-F142 HydrophobicContact CD2-CE1 4.35Å; L138-F142 HydrophobicContact CB-CD2 4.2Å; L138-F142 HydrophobicContact CB-CE2 4.05Å; L138-F142 WeakPolarHBondContact O-CB 3.43Å; L138-F142 WeakPolarHBondContact O-CD2 3.3Å; L138-F142 PolarHBondContact O-N 3.24Å; F142-L144 VanDerWaalsContact C-N 3.28Å; F142-L144 PolarHBondContact O-N 3.42Å; F142-L145 PolarHBondContact O-N 3.05Å; F142-L146 VanDerWaalsContact O-CB 3.29Å; F142-L146 WeakPolarHBondContact O-CB 3.42Å; F142-L146 WeakPolarHBondContact O-CG 3.27Å; F142-L146 PolarHBondContact O-N 3.48Å
143G95.8Very high94Very high6 Ų624.4 Ų24.46%0.06213%0.127CC..Hα-helixtrans-58.7-40.8177.200000112.6C139 T140 I141 G147 Y148C139-G143 PolarHBondContact O-N 3.42Å; C139-G143 VanDerWaalsContact O-N 3.17Å; T140-G143 PolarHBondContact O-N 3.46Å; I141-G143 VanDerWaalsContact C-N 3.35Å; I141-G143 PolarHBondContact O-N 3.25Å; G143-G147 PolarHBondContact O-N 2.71Å; G143-Y148 WeakPolarHBondContact O-CB 3.26Å; G143-Y148 PolarHBondContact O-N 2.62Å
144L95.3Very high94.5Very high4 Ų424.8 Ų24.82%0.02113%0.128CC..Hα-helixtrans-64.9-49.6175.4176.772.5000112L72 T75 P81 L103 V107 T140 I141 F142 L146 G147 T151L72-L144 HydrophobicContact CD2-CD2 3.72Å; L72-L144 HydrophobicContact CD2-CG 4.25Å; T75-L144 HydrophobicContact CG2-CD1 4.09Å; P81-L144 HydrophobicContact CG-CD1 4.04Å; L103-L144 HydrophobicContact CD1-CD2 3.93Å; V107-L144 HydrophobicContact CG2-CD2 3.46Å; V107-L144 VanDerWaalsContact CG2-CD2 3.46Å; T140-L144 PolarHBondContact O-N 2.8Å; I141-L144 WeakPolarHBondContact O-CB 3.12Å; I141-L144 PolarHBondContact O-N 3.33Å; F142-L144 VanDerWaalsContact C-N 3.28Å; F142-L144 PolarHBondContact O-N 3.42Å; L144-L146 VanDerWaalsContact C-N 3.3Å; L144-L146 PolarHBondContact O-N 3.31Å; L144-G147 PolarHBondContact O-N 2.95Å; L144-T151 HydrophobicContact CB-CG2 4.37Å
145L95.6Very high94.7Very high1 Ų122.6 Ų22.61%0.00512%0.116CC..Hα-helixtrans-63.9-35.6-178.2-69.9-177.4000111.9P20 A21 L54 L56 L61 L68 F110 I141 F142 G147P20-L145 VanDerWaalsContact CG-O 3.27Å; P20-L145 WeakPolarHBondContact CG-O 3.37Å; A21-L145 WeakPolarHBondContact CB-O 3.29Å; L54-L145 HydrophobicContact CD2-CD1 4.01Å; L56-L145 HydrophobicContact CD2-CD1 3.83Å; L61-L145 HydrophobicContact CD2-CB 4.33Å; L61-L145 HydrophobicContact CD2-CD1 4.1Å; L68-L145 HydrophobicContact CD1-CD2 3.65Å; L68-L145 HydrophobicContact CD2-CD2 4Å; L68-L145 HydrophobicContact CG-CD2 4.43Å; F110-L145 HydrophobicContact CE1-CD2 4.38Å; F110-L145 HydrophobicContact CE2-CD1 4.29Å; F110-L145 HydrophobicContact CE2-CD2 4.14Å; F110-L145 HydrophobicContact CZ-CD2 4Å; I141-L145 HydrophobicContact CG2-CD1 3.8Å; I141-L145 HydrophobicContact CG2-CG 4Å; I141-L145 WeakPolarHBondContact O-CB 3.19Å; I141-L145 VanDerWaalsContact O-CG 3.29Å; I141-L145 WeakPolarHBondContact O-CG 3.45Å; I141-L145 PolarHBondContact O-N 3.14Å; F142-L145 PolarHBondContact O-N 3.05Å; L145-G147 PolarHBondContact O-N 3.29Å
146L94.6Very high94.7Very high15 Ų1517.8 Ų17.88%0.0799%0.089CC..THydrogen-bonded Turntrans-75.1-9.7175.6-66.8171.2000112.9L23 F142 L144 Y148 Y190L23-L146 HydrophobicContact CB-CD2 4.07Å; F142-L146 VanDerWaalsContact O-CB 3.29Å; F142-L146 WeakPolarHBondContact O-CB 3.42Å; F142-L146 WeakPolarHBondContact O-CG 3.27Å; F142-L146 PolarHBondContact O-N 3.48Å; L144-L146 VanDerWaalsContact C-N 3.3Å; L144-L146 PolarHBondContact O-N 3.31Å; L146-Y148 HydrophobicContact CB-CD1 4.37Å; L146-Y148 HydrophobicContact CB-CD2 4.43Å; L146-Y148 HydrophobicContact CB-CE1 4.14Å; L146-Y148 HydrophobicContact CB-CE2 4.16Å; L146-Y148 HydrophobicContact CD1-CE2 3.85Å; L146-Y190 WeakPolarHBondContact O-CE1 3.46Å
147G94.6Very high94.4Very high12 Ų1221.9 Ų21.912%0.12413%0.125CC..THydrogen-bonded Turntrans7929.617700000113.9G143 L144 L145G143-G147 PolarHBondContact O-N 2.71Å; L144-G147 PolarHBondContact O-N 2.95Å; L145-G147 PolarHBondContact O-N 3.29Å
148Y95.9Very high94.1Very high57 Ų5731.1 Ų31.122%0.22416%0.159CC..  trans-71.9141.7175.3-62.1-26.9000111.5G143 L146 V150 Y190 S191 F192G143-Y148 WeakPolarHBondContact O-CB 3.26Å; G143-Y148 PolarHBondContact O-N 2.62Å; L146-Y148 HydrophobicContact CB-CD1 4.37Å; L146-Y148 HydrophobicContact CB-CD2 4.43Å; L146-Y148 HydrophobicContact CB-CE1 4.14Å; L146-Y148 HydrophobicContact CB-CE2 4.16Å; L146-Y148 HydrophobicContact CD1-CE2 3.85Å; Y148-V150 WeakPolarHBondContact CB-O 3.39Å; Y148-V150 PolarHBondContact O-N 3Å; Y148-Y190 HydrophobicContact CD1-CD1 4.09Å; Y148-Y190 HydrophobicContact CE1-CD1 4.11Å; Y148-S191 PolarHBondContact OH-O 3.2Å; Y148-F192 HydrophobicContact CD1-CB 3.86Å; Y148-F192 AromaticContact CD1-CD1 3.89Å; Y148-F192 HydrophobicContact CD1-CD1 3.89Å; Y148-F192 HydrophobicContact CD1-CG 4.12Å; Y148-F192 HydrophobicContact CD2-CB 4.17Å; Y148-F192 HydrophobicContact CE1-CB 3.96Å; Y148-F192 HydrophobicContact CE1-CD1 4.27Å; Y148-F192 HydrophobicContact CE2-CB 4.31Å; Y148-F192 HydrophobicContact CG-CB 3.96Å; Y148-F192 HydrophobicContact CG-CG 4.37Å
149P95.6Very high93.8Very high8 Ų832.1 Ų32.15%0.05217%0.168CC..SBendtrans-70.7-16.7179.827.1-33.2000113.3P81 P82 F192 E205 L206 W209P81-P149 VanDerWaalsContact CB-O 3.3Å; P81-P149 WeakPolarHBondContact CB-O 3.48Å; P82-P149 WeakPolarHBondContact CD-O 3.47Å; P149-F192 VanDerWaalsContact CD-CZ 3.48Å; P149-F192 HydrophobicContact CG-CD2 4.12Å; P149-F192 HydrophobicContact CG-CE1 4.05Å; P149-F192 HydrophobicContact CG-CE2 3.33Å; P149-F192 HydrophobicContact CG-CZ 3.29Å; P149-E205 HydrophobicContact CB-CB 4.44Å; P149-L206 HydrophobicContact CG-CG 4.28Å; P149-W209 HydrophobicContact CB-CB 3.74Å; P149-W209 HydrophobicContact CB-CG 4.08Å; P149-W209 HydrophobicContact CG-CB 4.21Å; P149-W209 HydrophobicContact CG-CD2 4.34Å; P149-W209 HydrophobicContact CG-CG 4.08Å
150V96.8Very high93.5Very high6 Ų639.1 Ų39.14%0.03620%0.197CC..SBendtrans-138.6140.9178.5-179.30000107.3V84 Y148 V194 T202V84-V150 HydrophobicContact CG2-CG1 3.45Å; V84-V150 VanDerWaalsContact CG2-CG1 3.45Å; Y148-V150 WeakPolarHBondContact CB-O 3.39Å; Y148-V150 PolarHBondContact O-N 3Å; V150-V194 HydrophobicContact CB-CG2 4.1Å; V150-V194 HydrophobicContact CG2-CG2 3.94Å; V150-T202 HydrophobicContact CG1-CG2 4.46Å; V150-T202 HydrophobicContact CG2-CG2 3.8Å
151T96.9Very high93.3Very high2 Ų245.6 Ų45.61%0.01223%0.227CC..EExtended strand (participates in β ladder)trans-119.7154.1178.457.40000110.1P81 P82 V83 V84 L144P81-T151 HydrophobicContact CB-CG2 4.48Å; P81-T151 HydrophobicContact CG-CG2 3.81Å; P82-T151 PolarHBondContact O-N 3.46Å; P82-T151 PolarHBondContact O-OG1 3.31Å; V83-T151 CarbonylContact C-O 3.52Å; V83-T151 WeakPolarHBondContact CA-O 3.49Å; V84-T151 PolarHBondContact N-O 2.69Å; L144-T151 HydrophobicContact CB-CG2 4.37Å
152Y97.6Very high93.3Very high18 Ų1846.8 Ų46.87%0.07123%0.233CC..EExtended strand (participates in β ladder)trans-106.3150.9178.6-68.1-15000111.1V84 V86 T140 L164 S193 V194 P195 L240V84-Y152 HydrophobicContact CB-CD1 3.78Å; V84-Y152 HydrophobicContact CB-CE1 4.07Å; V84-Y152 HydrophobicContact CG1-CD1 4.4Å; V84-Y152 HydrophobicContact CG1-CE1 4.41Å; V84-Y152 HydrophobicContact CG2-CD1 4.36Å; V84-Y152 HydrophobicContact CG2-CE1 4.34Å; V84-Y152 CarbonylContact O-C 3.55Å; V84-Y152 WeakPolarHBondContact O-CA 3.49Å; V86-Y152 HydrophobicContact CG1-CD1 4.35Å; V86-Y152 HydrophobicContact CG1-CG 4.31Å; T140-Y152 VanDerWaalsContact CA-O 3.3Å; T140-Y152 WeakPolarHBondContact CA-O 3.38Å; T140-Y152 PolarHBondContact N-O 3.17Å; T140-Y152 PolarHBondContact OG1-O 3.02Å; Y152-L164 HydrophobicContact CD2-CD1 4.46Å; Y152-L164 HydrophobicContact CE2-CD1 4.02Å; Y152-S193 VanDerWaalsContact OH-C 3.24Å; Y152-S193 PolarHBondContact OH-O 2.77Å; Y152-S193 PolarHBondContact OH-OG 2.85Å; Y152-S193 VanDerWaalsContact OH-OG 3.11Å; Y152-V194 WeakPolarHBondContact OH-CA 3.36Å; Y152-P195 WeakPolarHBondContact OH-CD 3.34Å; Y152-L240 HydrophobicContact CD2-CD1 3.68Å; Y152-L240 HydrophobicContact CD2-CD2 3.44Å; Y152-L240 VanDerWaalsContact CD2-CD2 3.44Å; Y152-L240 HydrophobicContact CD2-CG 4.15Å; Y152-L240 HydrophobicContact CE2-CD1 4.45Å; Y152-L240 HydrophobicContact CE2-CD2 3.69Å; Y152-L240 HydrophobicContact CG-CD1 4.4Å
153W96.9Very high93.3Very high34 Ų3446 Ų4613%0.12923%0.232CC..EExtended strand (participates in β ladder)trans-138135177.4-175.796000110.1V83 V84 N85 V86 S87 Q99 N137 D155V83-W153 HydrophobicContact CG1-CB 3.47Å; V83-W153 VanDerWaalsContact CG1-CB 3.47Å; V83-W153 HydrophobicContact CG1-CG 4.31Å; V84-W153 PolarHBondContact O-N 3.15Å; N85-W153 WeakPolarHBondContact CA-O 3.19Å; N85-W153 HydrophobicContact CB-CE3 4.34Å; N85-W153 PolarHBondContact OD1-O 2.68Å; V86-W153 WeakPolarHBondContact CG2-O 3.44Å; V86-W153 PolarHBondContact N-O 3.42Å; S87-W153 WeakPolarHBondContact OG-CZ3 3.42Å; Q99-W153 HydrophobicContact CB-CD2 4.5Å; Q99-W153 HydrophobicContact CB-CG 4.16Å; Q99-W153 HydrophobicContact CG-CB 4.47Å; Q99-W153 HydrophobicContact CG-CD2 3.68Å; Q99-W153 HydrophobicContact CG-CE3 4.04Å; Q99-W153 HydrophobicContact CG-CG 3.85Å; N137-W153 PolarHBondContact ND2-NE1 3.06Å; W153-D155 HydrophobicContact CH2-CB 3.96Å
154F94.8Very high93.3Very high11 Ų1145.8 Ų45.85%0.04823%0.229CC..  trans-146.5157.6166.661-87.3000108.4V86 N137 C139 Q156 S159 F160 L240V86-F154 HydrophobicContact CG2-CB 4.16Å; V86-F154 HydrophobicContact CG2-CD1 4.25Å; N137-F154 PolarHBondContact ND2-O 3.13Å; C139-F154 HydrophobicContact CB-CD1 4.34Å; C139-F154 HydrophobicContact CB-CE1 3.68Å; C139-F154 HydrophobicContact CB-CZ 4.4Å; F154-Q156 VanDerWaalsContact C-N 3.35Å; F154-Q156 HydrophobicContact CD2-CB 4.47Å; F154-Q156 HydrophobicContact CE2-CB 4.01Å; F154-Q156 PolarHBondContact O-N 2.86Å; F154-S159 VanDerWaalsContact CD2-O 3.27Å; F154-S159 WeakPolarHBondContact CD2-O 3.02Å; F154-F160 AromaticContact CE2-CD1 3.87Å; F154-F160 HydrophobicContact CE2-CD1 3.87Å; F154-F160 HydrophobicContact CZ-CD1 4.17Å; F154-L240 HydrophobicContact CD1-CD1 4.31Å; F154-L240 HydrophobicContact CE1-CB 4.15Å; F154-L240 HydrophobicContact CE1-CD1 4.4Å
155D91Very high93.3Very high54 Ų5448.8 Ų48.829%0.28925%0.25SS..  trans-73.987.7179.6-168.9-20.3000111.3W153 A157 R158 S159W153-D155 HydrophobicContact CH2-CB 3.96Å; D155-A157 PolarHBondContact O-N 2.9Å; D155-A157 WeakPolarHBondContact OD1-CB 2.96Å; D155-A157 PolarHBondContact OD1-N 3.27Å; D155-R158 HydrophobicContact CB-CB 4.19Å; D155-R158 HydrophobicContact CB-CG 4.36Å; D155-R158 PolarHBondContact O-N 3.31Å; D155-R158 PolarHBondContact OD1-N 3.42Å; D155-R158 WeakPolarHBondContact OD2-CD 3.27Å; D155-R158 VanDerWaalsContact OD2-CG 3.29Å; D155-R158 WeakPolarHBondContact OD2-CG 3.29Å; D155-S159 PolarHBondContact O-N 2.91Å; D155-S159 VanDerWaalsContact O-O 3.06Å
156Q87.8Confident93.4Very high53 Ų5354.4 Ų54.425%0.24828%0.278CS..THydrogen-bonded Turntrans-60.7-22.3-178.872.3-169.937.800113.4W136 F154 R158 F160W136-Q156 PolarHBondContact O-NE2 2.87Å; W136-Q156 PolarHBondContact O-OE1 2.95Å; F154-Q156 VanDerWaalsContact C-N 3.35Å; F154-Q156 HydrophobicContact CD2-CB 4.47Å; F154-Q156 HydrophobicContact CE2-CB 4.01Å; F154-Q156 PolarHBondContact O-N 2.86Å; Q156-R158 VanDerWaalsContact C-N 3.33Å; Q156-F160 HydrophobicContact CB-CE1 4.49Å
157A86.2Confident93.5Very high96 Ų9655 Ų5579%0.79328%0.282SS*.THydrogen-bonded Turntrans-77.4-22.5176.100000112.1D155D155-A157 PolarHBondContact O-N 2.9Å; D155-A157 WeakPolarHBondContact OD1-CB 2.96Å; D155-A157 PolarHBondContact OD1-N 3.27Å
158R87.1Confident93.6Very high204 Ų20457.2 Ų57.277%0.7729%0.294SS*.THydrogen-bonded Turntrans-99.4-42.7-179.4-68.1-176.571.3-168.3-1.1113.3D155 Q156D155-R158 HydrophobicContact CB-CB 4.19Å; D155-R158 HydrophobicContact CB-CG 4.36Å; D155-R158 PolarHBondContact O-N 3.31Å; D155-R158 PolarHBondContact OD1-N 3.42Å; D155-R158 WeakPolarHBondContact OD2-CD 3.27Å; D155-R158 VanDerWaalsContact OD2-CG 3.29Å; D155-R158 WeakPolarHBondContact OD2-CG 3.29Å; Q156-R158 VanDerWaalsContact C-N 3.33Å
159S87.3Confident93.8Very high42 Ų4254.8 Ų54.829%0.29429%0.285SS..  trans-164.1151-176.9-173.10000111.8F154 D155 E161F154-S159 VanDerWaalsContact CD2-O 3.27Å; F154-S159 WeakPolarHBondContact CD2-O 3.02Å; D155-S159 PolarHBondContact O-N 2.91Å; D155-S159 VanDerWaalsContact O-O 3.06Å; S159-E161 WeakPolarHBondContact OG-CB 3.32Å; S159-E161 WeakPolarHBondContact OG-CG 3.38Å; S159-E161 PolarHBondContact OG-N 3.07Å
160F88.4Confident93.9Very high163 Ų16355 Ų5572%0.71529%0.287SS*.SBendtrans-92.51.3167-65.7-77.6000112.8F154 Q156F154-F160 AromaticContact CE2-CD1 3.87Å; F154-F160 HydrophobicContact CE2-CD1 3.87Å; F154-F160 HydrophobicContact CZ-CD1 4.17Å; Q156-F160 HydrophobicContact CB-CE1 4.49Å
161E91.4Very high93.9Very high138 Ų13855.9 Ų55.965%0.64529%0.292SS*.  trans-74.7149.6174-63.3-178.5161.300111.5A88 S159A88-E161 HydrophobicContact CB-CB 3.75Å; S159-E161 WeakPolarHBondContact OG-CB 3.32Å; S159-E161 WeakPolarHBondContact OG-CG 3.38Å; S159-E161 PolarHBondContact OG-N 3.07Å
162N94.3Very high94Very high27 Ų2755.9 Ų55.914%0.14429%0.292CS..BIsolated β-bridgetrans-135.4161.3178.662.269.3000111.8V86 L164 V238 L240V86-N162 HydrophobicContact CB-CB 4.31Å; V86-N162 HydrophobicContact CG2-CB 4.09Å; V86-N162 CarbonylContact O-C 3.54Å; V86-N162 WeakPolarHBondContact O-CA 3.45Å; V86-N162 VanDerWaalsContact O-CB 3.28Å; V86-N162 WeakPolarHBondContact O-CB 3.38Å; N162-L164 PolarHBondContact O-N 3.44Å; N162-L164 WeakPolarHBondContact OD1-CB 3.5Å; N162-L164 PolarHBondContact OD1-N 3.14Å; N162-V238 PolarHBondContact ND2-O 2.98Å; N162-L240 HydrophobicContact CB-CD1 4.37Å
163C95.4Very high94Very high16 Ų1656.6 Ų56.611%0.10830%0.298CS..THydrogen-bonded Turntrans-82.816.2179.972.30000113.6V86 L90 T167V86-C163 PolarHBondContact O-N 3.25Å; L90-C163 HydrophobicContact CB-CB 4.48Å; L90-C163 WeakPolarHBondContact O-CB 3.42Å; C163-T167 PolarHBondContact O-OG1 2.89Å
164L96.8Very high94Very high0 Ų055 Ų550%029%0.292CS..THydrogen-bonded Turntrans-90.4-2.6-174.2-54.9177.2000113.7V86 P93 Y152 N162 M166 T167 L169 P195 V238 L240V86-L164 HydrophobicContact CB-CD1 4.43Å; V86-L164 HydrophobicContact CB-CD2 4.29Å; V86-L164 HydrophobicContact CB-CG 4.2Å; V86-L164 HydrophobicContact CG1-CD1 4.2Å; V86-L164 HydrophobicContact CG1-CD2 3.85Å; V86-L164 HydrophobicContact CG1-CG 4.16Å; P93-L164 HydrophobicContact CB-CD2 4.11Å; P93-L164 HydrophobicContact CG-CD2 4.1Å; Y152-L164 HydrophobicContact CD2-CD1 4.46Å; Y152-L164 HydrophobicContact CE2-CD1 4.02Å; N162-L164 PolarHBondContact O-N 3.44Å; N162-L164 WeakPolarHBondContact OD1-CB 3.5Å; N162-L164 PolarHBondContact OD1-N 3.14Å; L164-M166 PolarHBondContact O-N 3.5Å; L164-T167 HydrophobicContact CD2-CG2 4.49Å; L164-T167 VanDerWaalsContact O-CB 3.31Å; L164-T167 WeakPolarHBondContact O-CB 3.45Å; L164-T167 PolarHBondContact O-N 2.9Å; L164-L169 HydrophobicContact CD2-CD2 4.31Å; L164-P195 HydrophobicContact CD2-CG 4.12Å; L164-V238 HydrophobicContact CB-CB 4.09Å; L164-V238 HydrophobicContact CB-CG2 3.92Å; L164-V238 HydrophobicContact CD1-CB 4.33Å; L164-V238 HydrophobicContact CD1-CG1 4.02Å; L164-L240 HydrophobicContact CD1-CD1 4.03Å; L164-L240 HydrophobicContact CD1-CD2 4.28Å
165S95.6Very high94.1Very high67 Ų6755.7 Ų55.747%0.46930%0.298SS..THydrogen-bonded Turntrans-54.9126.7175-175.60000110.4T167 P236S165-T167 PolarHBondContact O-N 2.92Å; S165-P236 WeakPolarHBondContact CB-O 3.49Å; S165-P236 PolarHBondContact OG-O 2.96Å
166M96.4Very high94.3Very high120 Ų12053.1 Ų53.159%0.59129%0.285SS*.THydrogen-bonded Turntrans55.314.7-177.5-58.2-59.8-66.400114.8L164 T234 L235 P236L164-M166 PolarHBondContact O-N 3.5Å; M166-T234 HydrophobicContact CB-CG2 4.37Å; M166-T234 HydrophobicContact CE-CG2 3.97Å; M166-T234 WeakPolarHBondContact O-CG2 3.47Å; M166-T234 HydrophobicContact SD-CG2 4.28Å; M166-L235 WeakPolarHBondContact CA-O 3.42Å; M166-L235 PolarHBondContact N-O 3Å; M166-P236 HydrophobicContact SD-CB 4.34Å
167T96.9Very high94.5Very high26 Ų2650.6 Ų50.616%0.1627%0.273CS..  trans-82.2128.3173.2-65.60000109P93 C163 L164 S165 L169 P195P93-T167 HydrophobicContact CG-CG2 4.29Å; C163-T167 PolarHBondContact O-OG1 2.89Å; L164-T167 HydrophobicContact CD2-CG2 4.49Å; L164-T167 VanDerWaalsContact O-CB 3.31Å; L164-T167 WeakPolarHBondContact O-CB 3.45Å; L164-T167 PolarHBondContact O-N 2.9Å; S165-T167 PolarHBondContact O-N 2.92Å; T167-L169 HydrophobicContact CG2-CD2 4.4Å; T167-L169 PolarHBondContact O-N 3.35Å; T167-P195 HydrophobicContact CG2-CB 4.29Å
168P97.8Very high94.6Very high59 Ų5947.3 Ų47.338%0.38324%0.24SC..EExtended strand (participates in β ladder)trans-63.1126.6173.5-2233.1000111.1A196 T232 V233P168-A196 HydrophobicContact CB-CB 3.97Å; P168-A196 WeakPolarHBondContact O-CB 3.31Å; P168-A196 PolarHBondContact O-N 3.01Å; P168-T232 HydrophobicContact CB-CG2 4Å; P168-V233 WeakPolarHBondContact CA-O 3.5Å
169L98.3Very high94.4Very high6 Ų643.3 Ų43.33%0.03123%0.23CC..EExtended strand (participates in β ladder)trans-115126.1178.8-63.3-175.7000109.6L164 T167 V171 P195 T232 V233 V238L164-L169 HydrophobicContact CD2-CD2 4.31Å; T167-L169 HydrophobicContact CG2-CD2 4.4Å; T167-L169 PolarHBondContact O-N 3.35Å; L169-V171 PolarHBondContact O-N 2.97Å; L169-P195 HydrophobicContact CD2-CB 4.23Å; L169-P195 HydrophobicContact CD2-CG 4.12Å; L169-T232 CarbonylContact O-C 3.58Å; L169-T232 WeakPolarHBondContact O-CA 3.21Å; L169-V233 HydrophobicContact CB-CG2 4.14Å; L169-V233 PolarHBondContact N-O 3.31Å; L169-V233 PolarHBondContact O-N 3.21Å; L169-V238 HydrophobicContact CD1-CG1 4.21Å; L169-V238 HydrophobicContact CD1-CG2 3.89Å
170V98.1Very high93.9Very high14 Ų1445.3 Ų45.39%0.08524%0.236CC..EExtended strand (participates in β ladder)trans-83.6110.8168.4-177.20000107.9S193 V194 A196 Q199 Q230 S231V170-S193 CarbonylContact O-C 3.59Å; V170-S193 VanDerWaalsContact O-CA 3.29Å; V170-S193 WeakPolarHBondContact O-CA 3.35Å; V170-V194 PolarHBondContact N-O 3.23Å; V170-V194 PolarHBondContact O-N 2.8Å; V170-A196 HydrophobicContact CG2-CB 4.05Å; V170-Q199 HydrophobicContact CG2-CG 3.98Å; V170-Q230 HydrophobicContact CG1-CB 4.11Å; V170-Q230 HydrophobicContact CG1-CG 4.3Å; V170-S231 CarbonylContact C-O 3.58Å; V170-S231 WeakPolarHBondContact CA-O 3.4Å
171V97.9Very high93.4Very high24 Ų2444.8 Ų44.815%0.14524%0.24CC..EExtended strand (participates in β ladder)trans-88.9120.4175.9-177.30000108.1L169 F192 Q230 S231 V233L169-V171 PolarHBondContact O-N 2.97Å; V171-F192 CarbonylContact C-O 3.38Å; V171-F192 WeakPolarHBondContact CA-O 3.41Å; V171-Q230 CarbonylContact O-C 3.59Å; V171-Q230 VanDerWaalsContact O-CA 3.24Å; V171-Q230 WeakPolarHBondContact O-CA 3.31Å; V171-S231 PolarHBondContact N-O 2.83Å; V171-S231 PolarHBondContact O-N 2.86Å; V171-V233 HydrophobicContact CG2-CG1 4.3Å; V171-V233 HydrophobicContact CG2-CG2 3.66Å
172A97.9Very high92.7Very high2 Ų241.8 Ų41.82%0.01725%0.247CC..EExtended strand (participates in β ladder)trans-99.6125.917100000109.2F192 S229 Q230A172-F192 HydrophobicContact CB-CD2 4.4Å; A172-F192 HydrophobicContact CB-CE1 4.02Å; A172-F192 HydrophobicContact CB-CE2 3.79Å; A172-F192 HydrophobicContact CB-CZ 3.56Å; A172-F192 PolarHBondContact N-O 3.09Å; A172-F192 PolarHBondContact O-N 2.9Å; A172-S229 WeakPolarHBondContact CA-O 3.48Å; A172-Q230 HydrophobicContact CB-CG 4.19Å
173T98Very high92.1Very high33 Ų3345.3 Ų45.320%0.20227%0.265CS..EExtended strand (participates in β ladder)trans-119.9122.3178.8-56.80000109.4Y190 I228 S229T173-Y190 CarbonylContact C-O 3.6Å; T173-Y190 VanDerWaalsContact CA-O 3.31Å; T173-Y190 WeakPolarHBondContact CA-O 3.46Å; T173-I228 CarbonylContact O-C 3.6Å; T173-I228 WeakPolarHBondContact O-CA 3.27Å; T173-S229 PolarHBondContact N-O 3.22Å; T173-S229 PolarHBondContact O-N 3.17Å
174A97.8Very high91.7Very high0 Ų048.2 Ų48.20%028%0.283CS..EExtended strand (participates in β ladder)trans-101.7133.3164.600000109.2L189 Y190 W209 L213 S227 I228A174-L189 HydrophobicContact CB-CB 4.19Å; A174-L189 PolarHBondContact O-N 3.08Å; A174-Y190 HydrophobicContact CB-CD2 4.15Å; A174-Y190 PolarHBondContact N-O 2.82Å; A174-Y190 PolarHBondContact O-N 2.93Å; A174-Y190 VanDerWaalsContact O-N 3.14Å; A174-W209 HydrophobicContact CB-CH2 4Å; A174-W209 HydrophobicContact CB-CZ2 4.31Å; A174-L213 HydrophobicContact CB-CD2 3.79Å; A174-S227 CarbonylContact C-O 3.5Å; A174-S227 WeakPolarHBondContact CA-O 3.45Å; A174-I228 HydrophobicContact CB-CG1 3.98Å
175S96.1Very high91.3Very high25 Ų2552.2 Ų52.218%0.17530%0.302CS..EExtended strand (participates in β ladder)trans-132.9148.7177.4-59.30000110.1F187 L226 S227S175-F187 WeakPolarHBondContact CA-O 3.25Å; S175-F187 VanDerWaalsContact CB-O 3.31Å; S175-F187 WeakPolarHBondContact CB-O 3.42Å; S175-L226 WeakPolarHBondContact O-CA 3.4Å; S175-S227 PolarHBondContact N-O 2.99Å; S175-S227 PolarHBondContact O-N 2.79Å
176A95.2Very high91.1Very high0 Ų055.5 Ų55.50%030%0.304CS..EExtended strand (participates in β ladder)trans-132.2170.3172.400000110R186 F187 L189 F217 M223A176-R186 WeakPolarHBondContact O-CA 3.25Å; A176-F187 HydrophobicContact CB-CE1 4.22Å; A176-F187 HydrophobicContact CB-CE2 4.48Å; A176-F187 HydrophobicContact CB-CZ 3.93Å; A176-F187 PolarHBondContact N-O 2.78Å; A176-F187 VanDerWaalsContact N-O 3.08Å; A176-F187 WeakPolarHBondContact O-CD1 3.33Å; A176-F187 PolarHBondContact O-N 3.14Å; A176-L189 HydrophobicContact CB-CD1 3.59Å; A176-L189 HydrophobicContact CB-CG 4.01Å; A176-F217 HydrophobicContact CB-CE2 3.75Å; A176-F217 HydrophobicContact CB-CZ 4.17Å; A176-M223 HydrophobicContact CB-CB 4.44Å
177A92.2Very high90.8Very high0 Ų051 Ų510%028%0.281CS..EExtended strand (participates in β ladder)trans-113.3139.3174.800000110.3T184 H185 R186 K224 D225A177-T184 HydrophobicContact CB-CG2 3.69Å; A177-H185 CarbonylContact C-O 3.5Å; A177-H185 VanDerWaalsContact CA-O 3.27Å; A177-H185 WeakPolarHBondContact CA-O 3.41Å; A177-R186 HydrophobicContact CB-CG 4.25Å; A177-K224 PolarHBondContact N-O 2.89Å; A177-K224 PolarHBondContact O-N 2.87Å; A177-D225 HydrophobicContact CB-CB 4.07Å
178W87.4Confident90.6Very high27 Ų2752.7 Ų52.710%0.10229%0.293CS..EExtended strand (participates in β ladder)trans-114.6134.4167.7-176.932.4000109K8 E9 L12 M180 H185 F187 M223K8-W178 HydrophobicContact CD-CH2 4.28Å; E9-W178 HydrophobicContact CB-CE3 3.68Å; E9-W178 HydrophobicContact CB-CZ3 3.94Å; E9-W178 HydrophobicContact CG-CE3 3.52Å; E9-W178 HydrophobicContact CG-CZ3 3.46Å; E9-W178 VanDerWaalsContact CG-CZ3 3.46Å; E9-W178 WeakPolarHBondContact OE1-CZ3 3.34Å; L12-W178 HydrophobicContact CD1-CZ2 4.25Å; W178-M180 HydrophobicContact CH2-SD 3.71Å; W178-M180 HydrophobicContact CZ2-SD 4.17Å; W178-M180 HydrophobicContact CZ3-SD 4.12Å; W178-H185 PolarHBondContact N-O 2.8Å; W178-H185 PolarHBondContact O-N 2.79Å; W178-F187 HydrophobicContact CB-CD1 4.4Å; W178-F187 HydrophobicContact CB-CE1 3.89Å; W178-M223 HydrophobicContact CB-SD 3.79Å; W178-M223 HydrophobicContact CG-SD 4.02Å
179Q83.6Confident90.4Very high120 Ų12050 Ų5056%0.56128%0.276SS*.EExtended strand (participates in β ladder)trans-97.9122.4175-68.7-172.55.500109.8N183Q179-N183 WeakPolarHBondContact CA-O 3.33Å
180M76.4Confident90.3Very high84 Ų8449.9 Ų49.941%0.41428%0.275SS..EExtended strand (participates in β ladder)trans-135.9126.1174.1-171.9168.5176.700109W178 G182 N183W178-M180 HydrophobicContact CH2-SD 3.71Å; W178-M180 HydrophobicContact CZ2-SD 4.17Å; W178-M180 HydrophobicContact CZ3-SD 4.12Å; M180-G182 PolarHBondContact O-N 2.87Å; M180-G182 VanDerWaalsContact O-N 3.09Å; M180-N183 PolarHBondContact N-O 3.47Å; M180-N183 PolarHBondContact O-N 3.15Å
181D77.4Confident90.1Very high152 Ų15252.1 Ų52.181%0.81329%0.291SS*.THydrogen-bonded Turntrans51.935.4176-55.4-34.5000114.7N183D181-N183 VanDerWaalsContact C-N 3.27Å; D181-N183 PolarHBondContact O-N 2.78Å
182G76.9Confident90.1Very high76 Ų7651.6 Ų51.678%0.78429%0.287SS*.THydrogen-bonded Turntrans82.7-5.4-179.100000114.9M180M180-G182 PolarHBondContact O-N 2.87Å; M180-G182 VanDerWaalsContact O-N 3.09Å
183N82.6Confident90Very high100 Ų10052.7 Ų52.754%0.53529%0.294SS..EExtended strand (participates in β ladder)trans-94.1139.7173.4-69.7-26.8000110.9Q179 M180 D181Q179-N183 WeakPolarHBondContact CA-O 3.33Å; M180-N183 PolarHBondContact N-O 3.47Å; M180-N183 PolarHBondContact O-N 3.15Å; D181-N183 VanDerWaalsContact C-N 3.27Å; D181-N183 PolarHBondContact O-N 2.78Å
184T86.8Confident90Very high78 Ų7851.2 Ų51.248%0.47929%0.285SS..EExtended strand (participates in β ladder)trans-99.4113.9174.3-59.70000108.9A177A177-T184 HydrophobicContact CB-CG2 3.69Å
185H88.3Confident90Very high84 Ų8451.2 Ų51.239%0.38929%0.285SS..EExtended strand (participates in β ladder)trans-102.5118.8176.5-65.2-57.4000109.5A177 W178A177-H185 CarbonylContact C-O 3.5Å; A177-H185 VanDerWaalsContact CA-O 3.27Å; A177-H185 WeakPolarHBondContact CA-O 3.41Å; W178-H185 PolarHBondContact N-O 2.8Å; W178-H185 PolarHBondContact O-N 2.79Å
186R90.3Very high90.1Very high135 Ų13551.9 Ų51.951%0.50929%0.292SS..EExtended strand (participates in β ladder)trans-92.2134.7174.5-68.6-172.464.474.42.9109.6A176 A177 D225A176-R186 WeakPolarHBondContact O-CA 3.25Å; A177-R186 HydrophobicContact CB-CG 4.25Å; R186-D225 PolarHBondContact NH1-O 2.99Å
187F90.2Very high90.2Very high27 Ų2755.9 Ų55.912%0.11833%0.325CS..EExtended strand (participates in β ladder)trans-139.4161.4-179.364.9-86000111T13 S175 A176 W178 L189 M223T13-F187 HydrophobicContact CG2-CE2 3.45Å; T13-F187 VanDerWaalsContact CG2-CE2 3.45Å; T13-F187 HydrophobicContact CG2-CZ 3.89Å; S175-F187 WeakPolarHBondContact CA-O 3.25Å; S175-F187 VanDerWaalsContact CB-O 3.31Å; S175-F187 WeakPolarHBondContact CB-O 3.42Å; A176-F187 HydrophobicContact CB-CE1 4.22Å; A176-F187 HydrophobicContact CB-CE2 4.48Å; A176-F187 HydrophobicContact CB-CZ 3.93Å; A176-F187 PolarHBondContact N-O 2.78Å; A176-F187 VanDerWaalsContact N-O 3.08Å; A176-F187 WeakPolarHBondContact O-CD1 3.33Å; A176-F187 PolarHBondContact O-N 3.14Å; W178-F187 HydrophobicContact CB-CD1 4.4Å; W178-F187 HydrophobicContact CB-CE1 3.89Å; F187-L189 HydrophobicContact CD2-CD2 4.44Å; F187-L189 HydrophobicContact CE2-CD2 3.51Å; F187-L189 HydrophobicContact CE2-CG 4Å; F187-L189 HydrophobicContact CZ-CD2 4.14Å; F187-M223 HydrophobicContact CE1-CE 4.29Å; F187-M223 HydrophobicContact CE1-SD 3.76Å; F187-M223 HydrophobicContact CZ-CE 3.83Å; F187-M223 HydrophobicContact CZ-CG 4.28Å; F187-M223 HydrophobicContact CZ-SD 3.6Å
188C92.4Very high90.5Very high61 Ų6156.5 Ų56.541%0.41233%0.328SS..EExtended strand (participates in β ladder)trans-85.7122.9179.5-175.50000110.2Y190C188-Y190 VanDerWaalsContact SG-C 3.52Å; C188-Y190 PolarHBondContact SG-O 2.86Å
189L93.9Very high90.9Very high3 Ų357.3 Ų57.32%0.01633%0.333CS..EExtended strand (participates in β ladder)trans-84.4-50.8170.8-71.8170.8000110.5T13 L18 K19 A174 A176 F187 L226T13-L189 HydrophobicContact CG2-CD2 3.46Å; T13-L189 VanDerWaalsContact CG2-CD2 3.46Å; L18-L189 HydrophobicContact CD1-CD2 4.37Å; K19-L189 WeakPolarHBondContact CD-O 3.37Å; K19-L189 WeakPolarHBondContact CE-O 3.31Å; K19-L189 PolarHBondContact NZ-O 3.42Å; A174-L189 HydrophobicContact CB-CB 4.19Å; A174-L189 PolarHBondContact O-N 3.08Å; A176-L189 HydrophobicContact CB-CD1 3.59Å; A176-L189 HydrophobicContact CB-CG 4.01Å; F187-L189 HydrophobicContact CD2-CD2 4.44Å; F187-L189 HydrophobicContact CE2-CD2 3.51Å; F187-L189 HydrophobicContact CE2-CG 4Å; F187-L189 HydrophobicContact CZ-CD2 4.14Å; L189-L226 HydrophobicContact CD1-CD1 3.73Å
190Y96.3Very high91.4Very high3 Ų357.8 Ų57.81%0.01234%0.335CS..EExtended strand (participates in β ladder)trans-135.9140.6-179.7-67.4-98.3000109.2L18 K19 L146 Y148 T173 A174 C188 W209 L213L18-Y190 PolarHBondContact O-OH 3.41Å; K19-Y190 WeakPolarHBondContact CA-OH 3.43Å; K19-Y190 HydrophobicContact CD-CE2 4.39Å; K19-Y190 HydrophobicContact CG-CE1 4.36Å; K19-Y190 HydrophobicContact CG-CE2 3.74Å; L146-Y190 WeakPolarHBondContact O-CE1 3.46Å; Y148-Y190 HydrophobicContact CD1-CD1 4.09Å; Y148-Y190 HydrophobicContact CE1-CD1 4.11Å; T173-Y190 CarbonylContact C-O 3.6Å; T173-Y190 VanDerWaalsContact CA-O 3.31Å; T173-Y190 WeakPolarHBondContact CA-O 3.46Å; A174-Y190 HydrophobicContact CB-CD2 4.15Å; A174-Y190 PolarHBondContact N-O 2.82Å; A174-Y190 PolarHBondContact O-N 2.93Å; A174-Y190 VanDerWaalsContact O-N 3.14Å; C188-Y190 VanDerWaalsContact SG-C 3.52Å; C188-Y190 PolarHBondContact SG-O 2.86Å; Y190-W209 HydrophobicContact CD1-CZ2 4.15Å; Y190-W209 AromaticContact CD2-CZ2 3.84Å; Y190-W209 HydrophobicContact CD2-CZ2 3.84Å; Y190-W209 AromaticContact CE1-NE1 3.85Å; Y190-W209 HydrophobicContact CE2-CZ2 4.42Å; Y190-W209 AromaticContact CG-CZ2 3.69Å; Y190-W209 HydrophobicContact CG-CZ2 3.69Å; Y190-L213 HydrophobicContact CD2-CD2 3.95Å; Y190-L213 HydrophobicContact CE2-CD1 3.85Å; Y190-L213 HydrophobicContact CE2-CD2 3.99Å
191S95.1Very high92.4Very high60 Ų6059.4 Ų59.442%0.4234%0.342SS..EExtended strand (participates in β ladder)trans-140.6116.7165.6-176.50000106.4Y148Y148-S191 PolarHBondContact OH-O 3.2Å
192F96.6Very high93.3Very high14 Ų1452.1 Ų52.16%0.06130%0.303CS..EExtended strand (participates in β ladder)trans-147.4162.9175.562.9-90000109.1Y148 P149 V171 A172 V194 L206 W209Y148-F192 HydrophobicContact CD1-CB 3.86Å; Y148-F192 AromaticContact CD1-CD1 3.89Å; Y148-F192 HydrophobicContact CD1-CD1 3.89Å; Y148-F192 HydrophobicContact CD1-CG 4.12Å; Y148-F192 HydrophobicContact CD2-CB 4.17Å; Y148-F192 HydrophobicContact CE1-CB 3.96Å; Y148-F192 HydrophobicContact CE1-CD1 4.27Å; Y148-F192 HydrophobicContact CE2-CB 4.31Å; Y148-F192 HydrophobicContact CG-CB 3.96Å; Y148-F192 HydrophobicContact CG-CG 4.37Å; P149-F192 VanDerWaalsContact CD-CZ 3.48Å; P149-F192 HydrophobicContact CG-CD2 4.12Å; P149-F192 HydrophobicContact CG-CE1 4.05Å; P149-F192 HydrophobicContact CG-CE2 3.33Å; P149-F192 HydrophobicContact CG-CZ 3.29Å; V171-F192 CarbonylContact C-O 3.38Å; V171-F192 WeakPolarHBondContact CA-O 3.41Å; A172-F192 HydrophobicContact CB-CD2 4.4Å; A172-F192 HydrophobicContact CB-CE1 4.02Å; A172-F192 HydrophobicContact CB-CE2 3.79Å; A172-F192 HydrophobicContact CB-CZ 3.56Å; A172-F192 PolarHBondContact N-O 3.09Å; A172-F192 PolarHBondContact O-N 2.9Å; F192-V194 HydrophobicContact CD2-CG2 4.37Å; F192-V194 HydrophobicContact CE2-CG2 4.37Å; F192-L206 HydrophobicContact CE2-CD2 3.86Å; F192-L206 HydrophobicContact CZ-CD2 4.21Å; F192-W209 HydrophobicContact CE1-CD2 4.31Å; F192-W209 AromaticContact CE1-CE2 3.91Å; F192-W209 HydrophobicContact CE1-CE3 4.37Å; F192-W209 AromaticContact CE1-CH2 3.72Å; F192-W209 HydrophobicContact CE1-CH2 3.72Å; F192-W209 AromaticContact CE1-CZ2 3.63Å; F192-W209 HydrophobicContact CE1-CZ2 3.63Å; F192-W209 HydrophobicContact CE1-CZ3 4.1Å; F192-W209 HydrophobicContact CZ-CD2 4.3Å; F192-W209 HydrophobicContact CZ-CE3 4.12Å; F192-W209 HydrophobicContact CZ-CH2 4.15Å; F192-W209 HydrophobicContact CZ-CZ2 4.32Å; F192-W209 HydrophobicContact CZ-CZ3 4.04Å
193S96.9Very high94.2Very high24 Ų2453.2 Ų53.217%0.16828%0.283CS..EExtended strand (participates in β ladder)trans-122.9156.9178.7680000111.6Y152 V170Y152-S193 VanDerWaalsContact OH-C 3.24Å; Y152-S193 PolarHBondContact OH-O 2.77Å; Y152-S193 PolarHBondContact OH-OG 2.85Å; Y152-S193 VanDerWaalsContact OH-OG 3.11Å; V170-S193 CarbonylContact O-C 3.59Å; V170-S193 VanDerWaalsContact O-CA 3.29Å; V170-S193 WeakPolarHBondContact O-CA 3.35Å
194V97.6Very high94.9Very high2 Ų252.5 Ų52.51%0.01228%0.284CS..EExtended strand (participates in β ladder)trans-134.8138.4168.7-176.60000108V150 Y152 V170 F192 A196 L198 T202 L206V150-V194 HydrophobicContact CB-CG2 4.1Å; V150-V194 HydrophobicContact CG2-CG2 3.94Å; Y152-V194 WeakPolarHBondContact OH-CA 3.36Å; V170-V194 PolarHBondContact N-O 3.23Å; V170-V194 PolarHBondContact O-N 2.8Å; F192-V194 HydrophobicContact CD2-CG2 4.37Å; F192-V194 HydrophobicContact CE2-CG2 4.37Å; V194-A196 PolarHBondContact O-N 3.19Å; V194-L198 HydrophobicContact CG1-CB 4.42Å; V194-T202 HydrophobicContact CG1-CG2 4.2Å; V194-L206 HydrophobicContact CG2-CD1 4.37Å; V194-L206 HydrophobicContact CG2-CD2 4.45Å
195P98Very high95.3Very high0 Ų051.5 Ų51.50%027%0.274CS..EExtended strand (participates in β ladder)trans-59.2132.3175.3-23.236.2000110.9V84 P93 Y152 L164 T167 L169 A197 L198V84-P195 HydrophobicContact CG1-CG 4.34Å; P93-P195 HydrophobicContact CB-CB 4.24Å; P93-P195 HydrophobicContact CB-CG 3.81Å; P93-P195 HydrophobicContact CG-CB 3.5Å; P93-P195 VanDerWaalsContact CG-CB 3.5Å; P93-P195 HydrophobicContact CG-CG 3.6Å; Y152-P195 WeakPolarHBondContact OH-CD 3.34Å; L164-P195 HydrophobicContact CD2-CG 4.12Å; T167-P195 HydrophobicContact CG2-CB 4.29Å; L169-P195 HydrophobicContact CD2-CB 4.23Å; L169-P195 HydrophobicContact CD2-CG 4.12Å; P195-A197 PolarHBondContact O-N 3.2Å; P195-A197 VanDerWaalsContact O-N 3.08Å; P195-L198 HydrophobicContact CB-CD1 4.39Å; P195-L198 HydrophobicContact CB-CG 4.41Å; P195-L198 HydrophobicContact CG-CD1 4.24Å; P195-L198 PolarHBondContact O-N 2.9Å
196A97.8Very high95.6Very high39 Ų3948 Ų4832%0.32226%0.259SS..G310 helixtrans-58.9-28.3-175.900000112.6P168 V170 V194 L198 Q199P168-A196 HydrophobicContact CB-CB 3.97Å; P168-A196 WeakPolarHBondContact O-CB 3.31Å; P168-A196 PolarHBondContact O-N 3.01Å; V170-A196 HydrophobicContact CG2-CB 4.05Å; V194-A196 PolarHBondContact O-N 3.19Å; A196-L198 PolarHBondContact O-N 3.23Å; A196-Q199 WeakPolarHBondContact O-CB 3.45Å; A196-Q199 PolarHBondContact O-N 3Å
197A97.3Very high95.9Very high84 Ų8444.9 Ų44.969%0.69425%0.249SC*.G310 helixtrans-64.9-20.317500000114P195P195-A197 PolarHBondContact O-N 3.2Å; P195-A197 VanDerWaalsContact O-N 3.08Å
198L97.9Very high96.2Very high13 Ų1346 Ų467%0.06826%0.257CS..G310 helixtrans-107.89-177.2-56.5179.5000112.8V84 P93 V95 V194 P195 A196 E200 E201 T202V84-L198 HydrophobicContact CB-CD1 4.28Å; V84-L198 HydrophobicContact CG1-CD1 3.45Å; V84-L198 VanDerWaalsContact CG1-CD1 3.45Å; V84-L198 HydrophobicContact CG2-CD1 3.8Å; P93-L198 HydrophobicContact CB-CD1 4.29Å; V95-L198 HydrophobicContact CG2-CD1 4.3Å; V194-L198 HydrophobicContact CG1-CB 4.42Å; P195-L198 HydrophobicContact CB-CD1 4.39Å; P195-L198 HydrophobicContact CB-CG 4.41Å; P195-L198 HydrophobicContact CG-CD1 4.24Å; P195-L198 PolarHBondContact O-N 2.9Å; A196-L198 PolarHBondContact O-N 3.23Å; L198-E200 PolarHBondContact O-N 2.95Å; L198-E201 PolarHBondContact O-N 3Å; L198-T202 HydrophobicContact CB-CG2 4.42Å; L198-T202 WeakPolarHBondContact O-CB 3.48Å; L198-T202 WeakPolarHBondContact O-CG2 3.29Å; L198-T202 PolarHBondContact O-N 3.44Å; L198-T202 PolarHBondContact O-OG1 3.29Å
199Q95.5Very high96.3Very high44 Ų4444.1 Ų44.121%0.20624%0.241CC..Hα-helixtrans-60-46-176.2-119.6-108.76.200112.4V170 A196 T202 R203V170-Q199 HydrophobicContact CG2-CG 3.98Å; A196-Q199 WeakPolarHBondContact O-CB 3.45Å; A196-Q199 PolarHBondContact O-N 3Å; Q199-T202 PolarHBondContact O-N 2.85Å; Q199-T202 PolarHBondContact O-OG1 2.91Å; Q199-R203 WeakPolarHBondContact O-CA 3.42Å; Q199-R203 VanDerWaalsContact O-CB 3.32Å; Q199-R203 WeakPolarHBondContact O-CB 3.28Å; Q199-R203 PolarHBondContact O-N 2.98Å
200E96.1Very high96.5Very high130 Ų13048.1 Ų48.161%0.60726%0.256SS*.Hα-helixtrans-61.9-45.5178.1-64.6-61.7142.400111.6L198 T202 R203L198-E200 PolarHBondContact O-N 2.95Å; E200-T202 VanDerWaalsContact C-N 3.34Å; E200-T202 PolarHBondContact O-N 2.69Å; E200-R203 IonicContact OE1-CZ 3.46Å; E200-R203 IonicContact OE1-NH1 3.55Å; E200-R203 IonicContact OE1-NH2 2.62Å; E200-R203 PolarHBondContact OE1-NH2 3.22Å; E200-R203 IonicContact OE2-CZ 3.19Å; E200-R203 IonicContact OE2-NH1 2.64Å; E200-R203 PolarHBondContact OE2-NH1 2.98Å; E200-R203 IonicContact OE2-NH2 3.19Å; E200-R203 PolarHBondContact OE2-NH2 2.94Å
201E96.9Very high96.5Very high118 Ų11852.1 Ų52.155%0.55128%0.277SS*.Hα-helixtrans-67.3-35-177-172.5174.3-17600112.2V95 L198V95-E201 WeakPolarHBondContact CB-OE1 3.45Å; V95-E201 VanDerWaalsContact CG2-CD 3.45Å; V95-E201 HydrophobicContact CG2-CG 4.11Å; V95-E201 WeakPolarHBondContact CG2-OE1 3.27Å; L198-E201 PolarHBondContact O-N 3Å
202T96.2Very high96.5Very high0 Ų053.4 Ų53.40%027%0.273CS..Hα-helixtrans-94.7-11.3-177.756.90000113.8P82 V95 V150 V194 L198 Q199 E200 P204 E205 L206P82-T202 HydrophobicContact CB-CG2 4.48Å; V95-T202 HydrophobicContact CG2-CG2 4.47Å; V150-T202 HydrophobicContact CG1-CG2 4.46Å; V150-T202 HydrophobicContact CG2-CG2 3.8Å; V194-T202 HydrophobicContact CG1-CG2 4.2Å; L198-T202 HydrophobicContact CB-CG2 4.42Å; L198-T202 WeakPolarHBondContact O-CB 3.48Å; L198-T202 WeakPolarHBondContact O-CG2 3.29Å; L198-T202 PolarHBondContact O-N 3.44Å; L198-T202 PolarHBondContact O-OG1 3.29Å; Q199-T202 PolarHBondContact O-N 2.85Å; Q199-T202 PolarHBondContact O-OG1 2.91Å; E200-T202 VanDerWaalsContact C-N 3.34Å; E200-T202 PolarHBondContact O-N 2.69Å; T202-P204 VanDerWaalsContact C-CD 3.42Å; T202-E205 PolarHBondContact O-N 3.43Å; T202-L206 VanDerWaalsContact O-CD1 3.25Å; T202-L206 WeakPolarHBondContact O-CD1 3.37Å; T202-L206 PolarHBondContact O-N 2.92Å; T202-L206 WeakPolarHBondContact OG1-CD1 3.38Å
203R96.3Very high96.5Very high98 Ų9852.8 Ų52.837%0.3727%0.27SS..Hα-helixtrans-47.4-47.3-176.7177.4-179.3-63.7142.55.5114.2Q199 E200 E205 L206 E207Q199-R203 WeakPolarHBondContact O-CA 3.42Å; Q199-R203 VanDerWaalsContact O-CB 3.32Å; Q199-R203 WeakPolarHBondContact O-CB 3.28Å; Q199-R203 PolarHBondContact O-N 2.98Å; E200-R203 IonicContact OE1-CZ 3.46Å; E200-R203 IonicContact OE1-NH1 3.55Å; E200-R203 IonicContact OE1-NH2 2.62Å; E200-R203 PolarHBondContact OE1-NH2 3.22Å; E200-R203 IonicContact OE2-CZ 3.19Å; E200-R203 IonicContact OE2-NH1 2.64Å; E200-R203 PolarHBondContact OE2-NH1 2.98Å; E200-R203 IonicContact OE2-NH2 3.19Å; E200-R203 PolarHBondContact OE2-NH2 2.94Å; R203-E205 PolarHBondContact O-N 3.17Å; R203-L206 PolarHBondContact O-N 3.11Å; R203-E207 HydrophobicContact CG-CG 4.02Å; R203-E207 WeakPolarHBondContact O-CG 3.38Å; R203-E207 PolarHBondContact O-N 2.91Å
204P95.7Very high96.5Very high86 Ų8655 Ų5556%0.55828%0.278SS*.Hα-helixtrans-57-36.1-178.4-25.535.9000112.9T202 N208T202-P204 VanDerWaalsContact C-CD 3.42Å; P204-N208 WeakPolarHBondContact O-CB 3.34Å; P204-N208 PolarHBondContact O-N 2.88Å
205E95Very high96.4Very high56 Ų5660 Ų6026%0.26230%0.301SS..Hα-helixtrans-76.8-37.3-179.3-60.8-67174.100112.1P82 P149 T202 R203 W209P82-E205 HydrophobicContact CG-CG 3.8Å; P149-E205 HydrophobicContact CB-CB 4.44Å; T202-E205 PolarHBondContact O-N 3.43Å; R203-E205 PolarHBondContact O-N 3.17Å; E205-W209 VanDerWaalsContact O-CB 3.25Å; E205-W209 WeakPolarHBondContact O-CB 3.47Å; E205-W209 PolarHBondContact O-N 2.88Å
206L96Very high96.3Very high12 Ų1263.2 Ų63.26%0.06331%0.313CS..Hα-helixtrans-63.2-43.6172-74.4111.9000111.8P149 F192 V194 T202 R203 W209 R210P149-L206 HydrophobicContact CG-CG 4.28Å; F192-L206 HydrophobicContact CE2-CD2 3.86Å; F192-L206 HydrophobicContact CZ-CD2 4.21Å; V194-L206 HydrophobicContact CG2-CD1 4.37Å; V194-L206 HydrophobicContact CG2-CD2 4.45Å; T202-L206 VanDerWaalsContact O-CD1 3.25Å; T202-L206 WeakPolarHBondContact O-CD1 3.37Å; T202-L206 PolarHBondContact O-N 2.92Å; T202-L206 WeakPolarHBondContact OG1-CD1 3.38Å; R203-L206 PolarHBondContact O-N 3.11Å; L206-W209 PolarHBondContact O-N 3.38Å; L206-R210 WeakPolarHBondContact O-CB 3.29Å; L206-R210 PolarHBondContact O-N 3.46Å
207E96.6Very high96.2Very high68 Ų6862.5 Ų62.532%0.31830%0.303SS..Hα-helixtrans-67.3-43.6179.3-68.5-62.8124.200111.5R203 R210 L211R203-E207 HydrophobicContact CG-CG 4.02Å; R203-E207 WeakPolarHBondContact O-CG 3.38Å; R203-E207 PolarHBondContact O-N 2.91Å; E207-R210 WeakPolarHBondContact O-CB 3.49Å; E207-R210 PolarHBondContact O-N 3.48Å; E207-R210 IonicContact OE1-CZ 3.69Å; E207-R210 IonicContact OE1-NH1 3Å; E207-R210 PolarHBondContact OE1-NH1 3.2Å; E207-R210 IonicContact OE2-CZ 3.01Å; E207-R210 IonicContact OE2-NE 2.91Å; E207-R210 IonicContact OE2-NH1 3.03Å; E207-R210 PolarHBondContact OE2-NH1 2.87Å; E207-R210 IonicContact OE2-NH2 2.63Å; E207-R210 PolarHBondContact OE2-NH2 3.28Å; E207-L211 WeakPolarHBondContact O-CG 3.31Å; E207-L211 PolarHBondContact O-N 2.87Å
208N95.1Very high96.2Very high51 Ų5166.1 Ų66.127%0.27331%0.305SS..Hα-helixtrans-61.8-42.6174.2173.351.7000111.8P204 L211 R212P204-N208 WeakPolarHBondContact O-CB 3.34Å; P204-N208 PolarHBondContact O-N 2.88Å; N208-L211 PolarHBondContact O-N 2.9Å; N208-R212 VanDerWaalsContact ND2-CZ 3.32Å; N208-R212 PolarHBondContact ND2-NE 3.45Å; N208-R212 PolarHBondContact ND2-NH2 2.91Å; N208-R212 WeakPolarHBondContact O-CB 3.35Å; N208-R212 VanDerWaalsContact O-CG 3.26Å; N208-R212 WeakPolarHBondContact O-CG 3.32Å; N208-R212 PolarHBondContact O-N 2.82Å; N208-R212 PolarHBondContact OD1-NE 2.73Å; N208-R212 PolarHBondContact OD1-NH2 3.5Å; N208-R212 VanDerWaalsContact OD1-NH2 3.15Å
209W95.6Very high96Very high22 Ų2273.2 Ų73.28%0.08334%0.338CS..Hα-helixtrans-60.5-44.4172.9165.691.1000112P149 A174 Y190 F192 E205 L206 R212 L213 I228P149-W209 HydrophobicContact CB-CB 3.74Å; P149-W209 HydrophobicContact CB-CG 4.08Å; P149-W209 HydrophobicContact CG-CB 4.21Å; P149-W209 HydrophobicContact CG-CD2 4.34Å; P149-W209 HydrophobicContact CG-CG 4.08Å; A174-W209 HydrophobicContact CB-CH2 4Å; A174-W209 HydrophobicContact CB-CZ2 4.31Å; Y190-W209 HydrophobicContact CD1-CZ2 4.15Å; Y190-W209 AromaticContact CD2-CZ2 3.84Å; Y190-W209 HydrophobicContact CD2-CZ2 3.84Å; Y190-W209 AromaticContact CE1-NE1 3.85Å; Y190-W209 HydrophobicContact CE2-CZ2 4.42Å; Y190-W209 AromaticContact CG-CZ2 3.69Å; Y190-W209 HydrophobicContact CG-CZ2 3.69Å; F192-W209 HydrophobicContact CE1-CD2 4.31Å; F192-W209 AromaticContact CE1-CE2 3.91Å; F192-W209 HydrophobicContact CE1-CE3 4.37Å; F192-W209 AromaticContact CE1-CH2 3.72Å; F192-W209 HydrophobicContact CE1-CH2 3.72Å; F192-W209 AromaticContact CE1-CZ2 3.63Å; F192-W209 HydrophobicContact CE1-CZ2 3.63Å; F192-W209 HydrophobicContact CE1-CZ3 4.1Å; F192-W209 HydrophobicContact CZ-CD2 4.3Å; F192-W209 HydrophobicContact CZ-CE3 4.12Å; F192-W209 HydrophobicContact CZ-CH2 4.15Å; F192-W209 HydrophobicContact CZ-CZ2 4.32Å; F192-W209 HydrophobicContact CZ-CZ3 4.04Å; E205-W209 VanDerWaalsContact O-CB 3.25Å; E205-W209 WeakPolarHBondContact O-CB 3.47Å; E205-W209 PolarHBondContact O-N 2.88Å; L206-W209 PolarHBondContact O-N 3.38Å; W209-R212 PolarHBondContact O-N 2.98Å; W209-L213 HydrophobicContact CH2-CD2 4.04Å; W209-L213 HydrophobicContact CZ2-CD2 3.71Å; W209-L213 WeakPolarHBondContact O-CB 3.46Å; W209-L213 PolarHBondContact O-N 2.63Å; W209-I228 HydrophobicContact CH2-CG2 4.37Å; W209-I228 HydrophobicContact CZ3-CD1 4.45Å; W209-I228 HydrophobicContact CZ3-CG2 4.13Å
210R97.3Very high95.9Very high86 Ų8672.3 Ų72.333%0.32533%0.334SS..Hα-helixtrans-59.1-50.7178.4-168.4-177.575.4-148.1-6.7111.2L206 E207 L213 Q214 I228L206-R210 WeakPolarHBondContact O-CB 3.29Å; L206-R210 PolarHBondContact O-N 3.46Å; E207-R210 WeakPolarHBondContact O-CB 3.49Å; E207-R210 PolarHBondContact O-N 3.48Å; E207-R210 IonicContact OE1-CZ 3.69Å; E207-R210 IonicContact OE1-NH1 3Å; E207-R210 PolarHBondContact OE1-NH1 3.2Å; E207-R210 IonicContact OE2-CZ 3.01Å; E207-R210 IonicContact OE2-NE 2.91Å; E207-R210 IonicContact OE2-NH1 3.03Å; E207-R210 PolarHBondContact OE2-NH1 2.87Å; E207-R210 IonicContact OE2-NH2 2.63Å; E207-R210 PolarHBondContact OE2-NH2 3.28Å; R210-L213 PolarHBondContact O-N 3.03Å; R210-Q214 WeakPolarHBondContact O-CG 3.46Å; R210-Q214 PolarHBondContact O-N 3.01Å; R210-I228 HydrophobicContact CG-CD1 3.58Å
211L97Very high95.7Very high88 Ų8870.5 Ų70.546%0.46134%0.336SS..Hα-helixtrans-59.4-50179-71.6170.5000111.2E207 N208 L213 Q214 E215E207-L211 WeakPolarHBondContact O-CG 3.31Å; E207-L211 PolarHBondContact O-N 2.87Å; N208-L211 PolarHBondContact O-N 2.9Å; L211-L213 VanDerWaalsContact C-N 3.28Å; L211-L213 PolarHBondContact O-N 3Å; L211-Q214 WeakPolarHBondContact O-CB 3.45Å; L211-Q214 PolarHBondContact O-N 3.36Å; L211-Q214 VanDerWaalsContact O-N 3.14Å; L211-E215 WeakPolarHBondContact O-CG 3.48Å; L211-E215 PolarHBondContact O-N 3.32Å
212R94.6Very high95.4Very high87 Ų8768.3 Ų68.333%0.32833%0.327SS..Hα-helixtrans-63.3-34.6179.2-68-180-166.8-172.23.7112.5N208 W209 R216N208-R212 VanDerWaalsContact ND2-CZ 3.32Å; N208-R212 PolarHBondContact ND2-NE 3.45Å; N208-R212 PolarHBondContact ND2-NH2 2.91Å; N208-R212 WeakPolarHBondContact O-CB 3.35Å; N208-R212 VanDerWaalsContact O-CG 3.26Å; N208-R212 WeakPolarHBondContact O-CG 3.32Å; N208-R212 PolarHBondContact O-N 2.82Å; N208-R212 PolarHBondContact OD1-NE 2.73Å; N208-R212 PolarHBondContact OD1-NH2 3.5Å; N208-R212 VanDerWaalsContact OD1-NH2 3.15Å; W209-R212 PolarHBondContact O-N 2.98Å; R212-R216 VanDerWaalsContact C-NH1 3.27Å; R212-R216 WeakPolarHBondContact O-CG 3.32Å; R212-R216 PolarHBondContact O-N 2.89Å; R212-R216 VanDerWaalsContact O-N 3.09Å; R212-R216 PolarHBondContact O-NH1 3.08Å
213L96.3Very high95.3Very high0 Ų068.4 Ų68.40%033%0.327CS..Hα-helixtrans-66.6-43.4175.5178.657.8000110.7A174 Y190 W209 R210 L211 R216 F217 L226 I228A174-L213 HydrophobicContact CB-CD2 3.79Å; Y190-L213 HydrophobicContact CD2-CD2 3.95Å; Y190-L213 HydrophobicContact CE2-CD1 3.85Å; Y190-L213 HydrophobicContact CE2-CD2 3.99Å; W209-L213 HydrophobicContact CH2-CD2 4.04Å; W209-L213 HydrophobicContact CZ2-CD2 3.71Å; W209-L213 WeakPolarHBondContact O-CB 3.46Å; W209-L213 PolarHBondContact O-N 2.63Å; R210-L213 PolarHBondContact O-N 3.03Å; L211-L213 VanDerWaalsContact C-N 3.28Å; L211-L213 PolarHBondContact O-N 3Å; L213-R216 PolarHBondContact O-N 3.45Å; L213-F217 VanDerWaalsContact O-CB 3.27Å; L213-F217 WeakPolarHBondContact O-CB 3.15Å; L213-F217 PolarHBondContact O-N 3.33Å; L213-L226 HydrophobicContact CD2-CD1 4.31Å; L213-L226 HydrophobicContact CG-CD2 4.3Å; L213-I228 HydrophobicContact CD2-CD1 4.07Å
214Q97.5Very high95.1Very high72 Ų7267.7 Ų67.734%0.33633%0.327SS..Hα-helixtrans-59.8-48.1174.8-70.7169.6-43.900111.4R210 L211 R216 F217 E218 L226R210-Q214 WeakPolarHBondContact O-CG 3.46Å; R210-Q214 PolarHBondContact O-N 3.01Å; L211-Q214 WeakPolarHBondContact O-CB 3.45Å; L211-Q214 PolarHBondContact O-N 3.36Å; L211-Q214 VanDerWaalsContact O-N 3.14Å; Q214-R216 PolarHBondContact O-N 3.27Å; Q214-F217 WeakPolarHBondContact O-CA 3.19Å; Q214-F217 WeakPolarHBondContact O-CB 3.44Å; Q214-F217 PolarHBondContact O-N 2.82Å; Q214-F217 VanDerWaalsContact O-N 3.07Å; Q214-E218 WeakPolarHBondContact O-CG 3.38Å; Q214-E218 PolarHBondContact O-N 3.04Å; Q214-L226 HydrophobicContact CG-CD2 4.01Å
215E96.4Very high95.1Very high106 Ų10668.4 Ų68.450%0.49533%0.326SS..Hα-helixtrans-56.9-47.7177.1-71.2170.217000112.3L211 F217 E218 Q219L211-E215 WeakPolarHBondContact O-CG 3.48Å; L211-E215 PolarHBondContact O-N 3.32Å; E215-F217 VanDerWaalsContact C-N 3.28Å; E215-F217 PolarHBondContact O-N 2.76Å; E215-E218 PolarHBondContact O-N 3.27Å; E215-Q219 VanDerWaalsContact O-CG 3.32Å; E215-Q219 WeakPolarHBondContact O-CG 3.49Å; E215-Q219 PolarHBondContact O-N 3.25Å
216R95.1Very high95.1Very high67 Ų6767.7 Ų67.725%0.25332%0.324SS..Hα-helixtrans-66.2-33.8176.9-67.9-169.5-49.9-82.55.4111.9G17 L18 R212 L213 Q214 Q219G17-R216 WeakPolarHBondContact O-CD 3.33Å; G17-R216 PolarHBondContact O-NE 3.46Å; L18-R216 HydrophobicContact CD2-CB 4.18Å; L18-R216 PolarHBondContact O-NH2 3.38Å; L18-R216 VanDerWaalsContact O-NH2 3.15Å; R212-R216 VanDerWaalsContact C-NH1 3.27Å; R212-R216 WeakPolarHBondContact O-CG 3.32Å; R212-R216 PolarHBondContact O-N 2.89Å; R212-R216 VanDerWaalsContact O-N 3.09Å; R212-R216 PolarHBondContact O-NH1 3.08Å; L213-R216 PolarHBondContact O-N 3.45Å; Q214-R216 PolarHBondContact O-N 3.27Å; R216-Q219 PolarHBondContact O-N 2.87Å
217F96.3Very high95.2Very high24 Ų2469.8 Ų69.811%0.10534%0.339CS..Hα-helixtrans-67.5-36.8177.3-162.8-90000112.5L18 A176 L213 Q214 E215 Q219 Q220 M223 K224 L226L18-F217 HydrophobicContact CD1-CD2 4.06Å; L18-F217 HydrophobicContact CD1-CE2 4.32Å; L18-F217 HydrophobicContact CD2-CB 4.24Å; L18-F217 HydrophobicContact CD2-CD2 4.07Å; A176-F217 HydrophobicContact CB-CE2 3.75Å; A176-F217 HydrophobicContact CB-CZ 4.17Å; L213-F217 VanDerWaalsContact O-CB 3.27Å; L213-F217 WeakPolarHBondContact O-CB 3.15Å; L213-F217 PolarHBondContact O-N 3.33Å; Q214-F217 WeakPolarHBondContact O-CA 3.19Å; Q214-F217 WeakPolarHBondContact O-CB 3.44Å; Q214-F217 PolarHBondContact O-N 2.82Å; Q214-F217 VanDerWaalsContact O-N 3.07Å; E215-F217 VanDerWaalsContact C-N 3.28Å; E215-F217 PolarHBondContact O-N 2.76Å; F217-Q219 VanDerWaalsContact C-N 3.3Å; F217-Q220 WeakPolarHBondContact O-CG 3.42Å; F217-Q220 PolarHBondContact O-N 2.99Å; F217-Q220 PolarHBondContact O-NE2 2.64Å; F217-M223 HydrophobicContact CE2-CB 3.69Å; F217-M223 VanDerWaalsContact CZ-C 3.48Å; F217-M223 HydrophobicContact CZ-CB 3.91Å; F217-M223 WeakPolarHBondContact CZ-O 3.22Å; F217-K224 WeakPolarHBondContact CZ-O 3.34Å; F217-L226 HydrophobicContact CB-CD2 3.83Å; F217-L226 HydrophobicContact CD1-CB 3.74Å; F217-L226 HydrophobicContact CD1-CD2 4.3Å; F217-L226 HydrophobicContact CD2-CB 3.96Å; F217-L226 HydrophobicContact CD2-CD1 4.25Å; F217-L226 HydrophobicContact CD2-CD2 4.18Å; F217-L226 HydrophobicContact CD2-CG 4.35Å; F217-L226 HydrophobicContact CE1-CB 3.67Å; F217-L226 HydrophobicContact CE2-CB 3.9Å; F217-L226 HydrophobicContact CE2-CD1 4.45Å; F217-L226 HydrophobicContact CG-CB 3.88Å; F217-L226 HydrophobicContact CG-CD2 3.84Å; F217-L226 HydrophobicContact CG-CG 4.34Å; F217-L226 HydrophobicContact CZ-CB 3.74Å
218E96.4Very high95.2Very high161 Ų16168.8 Ų68.875%0.75234%0.336SS*.Hα-helixtrans-70.2-25.9175.8-71.5172.9-177.700113Q214 E215 Q220Q214-E218 WeakPolarHBondContact O-CG 3.38Å; Q214-E218 PolarHBondContact O-N 3.04Å; E215-E218 PolarHBondContact O-N 3.27Å; E218-Q220 VanDerWaalsContact C-N 3.27Å; E218-Q220 PolarHBondContact O-N 3.19Å
219Q94.7Very high95.3Very high162 Ų16269.4 Ų69.476%0.75734%0.344SS*.THydrogen-bonded Turntrans-76.9-10.3178.7-71.2170.17.800114E215 R216 F217E215-Q219 VanDerWaalsContact O-CG 3.32Å; E215-Q219 WeakPolarHBondContact O-CG 3.49Å; E215-Q219 PolarHBondContact O-N 3.25Å; R216-Q219 PolarHBondContact O-N 2.87Å; F217-Q219 VanDerWaalsContact C-N 3.3Å
220Q93.3Very high95.4Very high24 Ų2473.1 Ų73.111%0.11236%0.362CS..  trans-117.8154.3179.966.471.641.100111.7L16 L18 F217 E218 M223L16-Q220 HydrophobicContact CD2-CB 4.21Å; L18-Q220 HydrophobicContact CD1-CG 4.38Å; L18-Q220 HydrophobicContact CD2-CG 3.94Å; L18-Q220 HydrophobicContact CG-CG 4.42Å; F217-Q220 WeakPolarHBondContact O-CG 3.42Å; F217-Q220 PolarHBondContact O-N 2.99Å; F217-Q220 PolarHBondContact O-NE2 2.64Å; E218-Q220 VanDerWaalsContact C-N 3.27Å; E218-Q220 PolarHBondContact O-N 3.19Å; Q220-M223 PolarHBondContact NE2-O 2.62Å
221S91.2Very high95.4Very high92 Ų9271.9 Ų71.964%0.64337%0.367SS*.SBendtrans-115.5-2.3-174.262.20000114.8K224S221-K224 WeakPolarHBondContact O-CE 3.24Å; S221-K224 PolarHBondContact O-NZ 2.68Å
222I91.8Very high95.5Very high73 Ų7372.1 Ų72.137%0.37437%0.372SS..SBendtrans-85.1-52.2-172.6-57.4-172.4000111.2L16L16-I222 HydrophobicContact CD1-CB 4.05Å; L16-I222 HydrophobicContact CD1-CD1 4.25Å; L16-I222 HydrophobicContact CD1-CG1 4.49Å; L16-I222 HydrophobicContact CD2-CD1 3.83Å; L16-I222 HydrophobicContact CD2-CG1 4.34Å
223M92.4Very high95.6Very high1 Ų170.3 Ų70.31%0.00537%0.371CS..EExtended strand (participates in β ladder)trans-86.7144.3-179.7-54.8-57.6-174.600110.3L12 T13 L16 L18 A176 W178 F187 F217 Q220L12-M223 HydrophobicContact CB-CE 4.03Å; T13-M223 HydrophobicContact CG2-CE 4.13Å; L16-M223 HydrophobicContact CD1-CE 4.36Å; L16-M223 HydrophobicContact CD1-CG 4.02Å; L18-M223 HydrophobicContact CD1-CB 4.34Å; L18-M223 HydrophobicContact CD1-CG 4.04Å; A176-M223 HydrophobicContact CB-CB 4.44Å; W178-M223 HydrophobicContact CB-SD 3.79Å; W178-M223 HydrophobicContact CG-SD 4.02Å; F187-M223 HydrophobicContact CE1-CE 4.29Å; F187-M223 HydrophobicContact CE1-SD 3.76Å; F187-M223 HydrophobicContact CZ-CE 3.83Å; F187-M223 HydrophobicContact CZ-CG 4.28Å; F187-M223 HydrophobicContact CZ-SD 3.6Å; F217-M223 HydrophobicContact CE2-CB 3.69Å; F217-M223 VanDerWaalsContact CZ-C 3.48Å; F217-M223 HydrophobicContact CZ-CB 3.91Å; F217-M223 WeakPolarHBondContact CZ-O 3.22Å; Q220-M223 PolarHBondContact NE2-O 2.62Å
224K93.5Very high95.6Very high83 Ų8373.6 Ų73.636%0.36139%0.391SS..EExtended strand (participates in β ladder)trans-127.1169-177.3-55.7-62170.1-167.90111.5A177 F217 S221 L226A177-K224 PolarHBondContact N-O 2.89Å; A177-K224 PolarHBondContact O-N 2.87Å; F217-K224 WeakPolarHBondContact CZ-O 3.34Å; S221-K224 WeakPolarHBondContact O-CE 3.24Å; S221-K224 PolarHBondContact O-NZ 2.68Å; K224-L226 PolarHBondContact O-N 2.94Å
225D94.2Very high95.4Very high101 Ų10174 Ų7454%0.5440%0.395SS..EExtended strand (participates in β ladder)trans52.249.2169.1-50.3-29.6000115.2A177 R186 S227A177-D225 HydrophobicContact CB-CB 4.07Å; R186-D225 PolarHBondContact NH1-O 2.99Å; D225-S227 PolarHBondContact O-N 3.33Å
226L96.9Very high95.2Very high41 Ų4173.7 Ų73.722%0.21540%0.402CS..EExtended strand (participates in β ladder)trans-56.5122.9170.5178.664.9000109.4S175 L189 L213 Q214 F217 K224 I228S175-L226 WeakPolarHBondContact O-CA 3.4Å; L189-L226 HydrophobicContact CD1-CD1 3.73Å; L213-L226 HydrophobicContact CD2-CD1 4.31Å; L213-L226 HydrophobicContact CG-CD2 4.3Å; Q214-L226 HydrophobicContact CG-CD2 4.01Å; F217-L226 HydrophobicContact CB-CD2 3.83Å; F217-L226 HydrophobicContact CD1-CB 3.74Å; F217-L226 HydrophobicContact CD1-CD2 4.3Å; F217-L226 HydrophobicContact CD2-CB 3.96Å; F217-L226 HydrophobicContact CD2-CD1 4.25Å; F217-L226 HydrophobicContact CD2-CD2 4.18Å; F217-L226 HydrophobicContact CD2-CG 4.35Å; F217-L226 HydrophobicContact CE1-CB 3.67Å; F217-L226 HydrophobicContact CE2-CB 3.9Å; F217-L226 HydrophobicContact CE2-CD1 4.45Å; F217-L226 HydrophobicContact CG-CB 3.88Å; F217-L226 HydrophobicContact CG-CD2 3.84Å; F217-L226 HydrophobicContact CG-CG 4.34Å; F217-L226 HydrophobicContact CZ-CB 3.74Å; K224-L226 PolarHBondContact O-N 2.94Å; L226-I228 HydrophobicContact CD1-CG1 4.34Å; L226-I228 HydrophobicContact CD2-CD1 4.45Å; L226-I228 HydrophobicContact CG-CG1 4.43Å
227S97.1Very high95Very high56 Ų5674.9 Ų74.939%0.39242%0.421SS..EExtended strand (participates in β ladder)trans-129.6135.3175.3-178.50000108.6A174 S175 D225A174-S227 CarbonylContact C-O 3.5Å; A174-S227 WeakPolarHBondContact CA-O 3.45Å; S175-S227 PolarHBondContact N-O 2.99Å; S175-S227 PolarHBondContact O-N 2.79Å; D225-S227 PolarHBondContact O-N 3.33Å
228I97.6Very high94.6Very high48 Ų4874.6 Ų74.625%0.24642%0.421CS..EExtended strand (participates in β ladder)trans-124.7122.2177.6-58.8174.9000106.8T173 A174 W209 R210 L213 L226T173-I228 CarbonylContact O-C 3.6Å; T173-I228 WeakPolarHBondContact O-CA 3.27Å; A174-I228 HydrophobicContact CB-CG1 3.98Å; W209-I228 HydrophobicContact CH2-CG2 4.37Å; W209-I228 HydrophobicContact CZ3-CD1 4.45Å; W209-I228 HydrophobicContact CZ3-CG2 4.13Å; R210-I228 HydrophobicContact CG-CD1 3.58Å; L213-I228 HydrophobicContact CD2-CD1 4.07Å; L226-I228 HydrophobicContact CD1-CG1 4.34Å; L226-I228 HydrophobicContact CD2-CD1 4.45Å; L226-I228 HydrophobicContact CG-CG1 4.43Å
229S97Very high94.1Very high63 Ų6373 Ų7344%0.44143%0.426SS..EExtended strand (participates in β ladder)trans-126.9159.6-179.764.40000110.8A172 T173A172-S229 WeakPolarHBondContact CA-O 3.48Å; T173-S229 PolarHBondContact N-O 3.22Å; T173-S229 PolarHBondContact O-N 3.17Å
230Q97.2Very high93.6Very high100 Ų10069.3 Ų69.347%0.46741%0.411SS..EExtended strand (participates in β ladder)trans-129.7141.6173.7-70.1-177.6-12.900109.8V170 V171 A172V170-Q230 HydrophobicContact CG1-CB 4.11Å; V170-Q230 HydrophobicContact CG1-CG 4.3Å; V171-Q230 CarbonylContact O-C 3.59Å; V171-Q230 VanDerWaalsContact O-CA 3.24Å; V171-Q230 WeakPolarHBondContact O-CA 3.31Å; A172-Q230 HydrophobicContact CB-CG 4.19Å
231S97.3Very high93.6Very high61 Ų6171.6 Ų71.643%0.42743%0.426SS..EExtended strand (participates in β ladder)trans-139.2154.3170.563.10000109.8V170 V171V170-S231 CarbonylContact C-O 3.58Å; V170-S231 WeakPolarHBondContact CA-O 3.4Å; V171-S231 PolarHBondContact N-O 2.83Å; V171-S231 PolarHBondContact O-N 2.86Å
232T98Very high93.7Very high92 Ų9270.5 Ų70.556%0.56442%0.415SS*.EExtended strand (participates in β ladder)trans-103.9129.5174.9-56.30000109.3P168 L169P168-T232 HydrophobicContact CB-CG2 4Å; L169-T232 CarbonylContact O-C 3.58Å; L169-T232 WeakPolarHBondContact O-CA 3.21Å
233V97.2Very high93.8Very high49 Ų4970.4 Ų70.430%0.29742%0.417SS..EExtended strand (participates in β ladder)trans-124.6151.2176.5-55.90000110.3P168 L169 V171 L235P168-V233 WeakPolarHBondContact CA-O 3.5Å; L169-V233 HydrophobicContact CB-CG2 4.14Å; L169-V233 PolarHBondContact N-O 3.31Å; L169-V233 PolarHBondContact O-N 3.21Å; V171-V233 HydrophobicContact CG2-CG1 4.3Å; V171-V233 HydrophobicContact CG2-CG2 3.66Å; V233-L235 HydrophobicContact CG2-CD1 4.48Å; V233-L235 HydrophobicContact CG2-CG 4.45Å
234T97.1Very high93.9Very high69 Ų6974.5 Ų74.542%0.42344%0.441SS..EExtended strand (participates in β ladder)trans-130.3119.9172.5-58.90000107.4M166M166-T234 HydrophobicContact CB-CG2 4.37Å; M166-T234 HydrophobicContact CE-CG2 3.97Å; M166-T234 WeakPolarHBondContact O-CG2 3.47Å; M166-T234 HydrophobicContact SD-CG2 4.28Å
235L93.9Very high93.9Very high82 Ų8273.9 Ų73.943%0.42945%0.446SS..  trans-121.2145.9-174.1-62.1174.6000110.4M166 V233 S237 V238M166-L235 WeakPolarHBondContact CA-O 3.42Å; M166-L235 PolarHBondContact N-O 3Å; V233-L235 HydrophobicContact CG2-CD1 4.48Å; V233-L235 HydrophobicContact CG2-CG 4.45Å; L235-S237 WeakPolarHBondContact CB-O 3.45Å; L235-S237 PolarHBondContact O-N 2.86Å; L235-V238 HydrophobicContact CB-CG2 4.39Å
236P92.1Very high93.9Very high98 Ų9872.1 Ų72.164%0.63644%0.44SS*.SBendtrans-67.4-23.9177.327.8-34.8000112.5S165 M166S165-P236 WeakPolarHBondContact CB-O 3.49Å; S165-P236 PolarHBondContact OG-O 2.96Å; M166-P236 HydrophobicContact SD-CB 4.34Å
237S88.9Confident93.7Very high92 Ų9274.4 Ų74.464%0.64346%0.456SS*.  trans-149.2150.7175.7-176.70000110.1L235L235-S237 WeakPolarHBondContact CB-O 3.45Å; L235-S237 PolarHBondContact O-N 2.86Å
238V89.2Confident93.4Very high18 Ų1875.8 Ų75.811%0.10946%0.461CS..  trans-132.4124-179.6-177.80000107.8N162 L164 L169 L235 L240N162-V238 PolarHBondContact ND2-O 2.98Å; L164-V238 HydrophobicContact CB-CB 4.09Å; L164-V238 HydrophobicContact CB-CG2 3.92Å; L164-V238 HydrophobicContact CD1-CB 4.33Å; L164-V238 HydrophobicContact CD1-CG1 4.02Å; L169-V238 HydrophobicContact CD1-CG1 4.21Å; L169-V238 HydrophobicContact CD1-CG2 3.89Å; L235-V238 HydrophobicContact CB-CG2 4.39Å; V238-L240 HydrophobicContact CG1-CD2 3.8Å; V238-L240 HydrophobicContact CG1-CG 4.39Å
239C85.4Confident93.1Very high127 Ų12778.1 Ų78.186%0.85848%0.479SS*.  trans-95.1136.9172.7-166.10000109.1
240L83.8Confident92.7Very high86 Ų8679.5 Ų79.545%0.4548%0.482SS..  trans-124.40-175.7-61.2-177.6000111.6V86 Y152 F154 N162 L164 V238V86-L240 HydrophobicContact CG2-CD1 3.64Å; Y152-L240 HydrophobicContact CD2-CD1 3.68Å; Y152-L240 HydrophobicContact CD2-CD2 3.44Å; Y152-L240 VanDerWaalsContact CD2-CD2 3.44Å; Y152-L240 HydrophobicContact CD2-CG 4.15Å; Y152-L240 HydrophobicContact CE2-CD1 4.45Å; Y152-L240 HydrophobicContact CE2-CD2 3.69Å; Y152-L240 HydrophobicContact CG-CD1 4.4Å; F154-L240 HydrophobicContact CD1-CD1 4.31Å; F154-L240 HydrophobicContact CE1-CB 4.15Å; F154-L240 HydrophobicContact CE1-CD1 4.4Å; N162-L240 HydrophobicContact CB-CD1 4.37Å; L164-L240 HydrophobicContact CD1-CD1 4.03Å; L164-L240 HydrophobicContact CD1-CD2 4.28Å; V238-L240 HydrophobicContact CG1-CD2 3.8Å; V238-L240 HydrophobicContact CG1-CG 4.39Å

Retrieved 240 of 240 residues in 103.7 ms (Link to these results)

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