A0A077ZJG1_TRITR Loading...

YaeQ domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJG1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 181 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
1M46Very low83.5Confident242 Ų24292.6 Ų92.6100%1.19250%0.503SS*.  0130.30-78.2175.5-162.500107.7L3M1-L3 PolarHBondContact O-N 3.17Å
2A54.4Low84.7Confident99 Ų9985 Ų8582%0.81846%0.461SS*.PPolyproline II helixtrans-62.4129.6173.300000109.2K4A2-K4 PolarHBondContact O-N 2.95Å
3L61.6Low85.8Confident125 Ų12582.1 Ų82.165%0.65445%0.445SS*.PPolyproline II helixtrans-58.6116.4178.4-106151.4000108.8M1 A5 P33M1-L3 PolarHBondContact O-N 3.17Å; L3-A5 PolarHBondContact O-N 3.21Å; L3-P33 HydrophobicContact CB-CB 4.22Å; L3-P33 HydrophobicContact CB-CG 3.81Å; L3-P33 HydrophobicContact CD2-CB 3.84Å; L3-P33 HydrophobicContact CD2-CG 3.83Å; L3-P33 HydrophobicContact CG-CB 4.41Å; L3-P33 HydrophobicContact CG-CG 4.36Å
4K83.4Confident86.7Confident190 Ų19076.4 Ų76.483%0.82641%0.414SS*.PPolyproline II helixtrans-65.9128.7-174.4-76.5-174.7178-178.70110.2A2A2-K4 PolarHBondContact O-N 2.95Å
5A89Confident87.5Confident44 Ų4471.9 Ų71.936%0.36439%0.392SS..PPolyproline II helixtrans-64.4147.5173.500000111.2L3 A30 R31L3-A5 PolarHBondContact O-N 3.21Å; A5-A30 HydrophobicContact CB-CB 4.19Å; A5-R31 CarbonylContact C-O 3.56Å; A5-R31 VanDerWaalsContact CA-O 3.27Å; A5-R31 WeakPolarHBondContact CA-O 3.35Å; A5-R31 WeakPolarHBondContact CB-O 3.41Å
6T94.5Very high88.2Confident56 Ų5667.6 Ų67.634%0.34437%0.369SS..EExtended strand (participates in β ladder)trans-96.5119.8177.7-57.30000108.4Y8 R31T6-Y8 HydrophobicContact CG2-CD2 4.44Å; T6-Y8 HydrophobicContact CG2-CE2 3.79Å; T6-Y8 WeakPolarHBondContact O-CD2 3.46Å; T6-R31 PolarHBondContact N-O 2.79Å; T6-R31 WeakPolarHBondContact O-CB 3.4Å; T6-R31 PolarHBondContact O-N 2.71Å
7I95.7Very high88.8Confident72 Ų7268.2 Ų68.237%0.36937%0.371SS..EExtended strand (participates in β ladder)trans-92.3114.4-169.2-58.2-57.3000111.9T28 L29 A30 R148I7-T28 HydrophobicContact CG2-CG2 3.71Å; I7-L29 CarbonylContact C-O 3.59Å; I7-L29 WeakPolarHBondContact CA-O 3.3Å; I7-A30 HydrophobicContact CD1-CB 3.78Å; I7-R148 PolarHBondContact O-NH1 2.74Å; I7-R148 PolarHBondContact O-NH2 3.4Å
8Y98.1Very high89.2Confident17 Ų1768.8 Ų68.87%0.06737%0.374CS..EExtended strand (participates in β ladder)trans-96.4145.3174.8-72.2-111.8000110T6 T28 L29 R31 M40 D147 M150T6-Y8 HydrophobicContact CG2-CD2 4.44Å; T6-Y8 HydrophobicContact CG2-CE2 3.79Å; T6-Y8 WeakPolarHBondContact O-CD2 3.46Å; Y8-T28 WeakPolarHBondContact O-CA 3.22Å; Y8-L29 PolarHBondContact N-O 2.99Å; Y8-L29 PolarHBondContact O-N 2.78Å; Y8-R31 HydrophobicContact CD2-CB 4.2Å; Y8-R31 HydrophobicContact CE2-CB 4.06Å; Y8-R31 PolarHBondContact OH-NH1 2.93Å; Y8-M40 HydrophobicContact CD1-CE 3.65Å; Y8-M40 HydrophobicContact CD1-SD 3.88Å; Y8-M40 HydrophobicContact CD2-CE 4.34Å; Y8-M40 HydrophobicContact CD2-SD 3.47Å; Y8-M40 WeakPolarHBondContact CD2-SD 3.46Å; Y8-M40 HydrophobicContact CE1-CE 3.72Å; Y8-M40 HydrophobicContact CE1-SD 4.09Å; Y8-M40 HydrophobicContact CE2-CE 4.38Å; Y8-M40 HydrophobicContact CE2-SD 3.66Å; Y8-M40 HydrophobicContact CG-CE 4.02Å; Y8-M40 HydrophobicContact CG-SD 3.61Å; Y8-D147 WeakPolarHBondContact CD1-O 3.47Å; Y8-M150 HydrophobicContact CD1-CE 3.97Å
9K98.5Very high89.6Confident99 Ų9970.5 Ų70.543%0.4337%0.374SS..EExtended strand (participates in β ladder)trans-116.8134.8173.2-64.1-66.8-176.8170.80108.8L27 T28 R148 T149 M150K9-L27 WeakPolarHBondContact CA-O 3.48Å; K9-T28 HydrophobicContact CD-CG2 4.12Å; K9-T28 WeakPolarHBondContact CD-OG1 3.36Å; K9-T28 PolarHBondContact NZ-OG1 2.86Å; K9-R148 PolarHBondContact N-O 3.25Å; K9-T149 WeakPolarHBondContact O-CA 3.45Å; K9-M150 PolarHBondContact O-N 2.85Å
10A98.5Very high90Very high3 Ų373.8 Ų73.83%0.02539%0.392CS..EExtended strand (participates in β ladder)trans-131.3120.4174.600000109.5V12 L27 L29 L44 M150A10-V12 HydrophobicContact CB-CG1 3.96Å; A10-L27 HydrophobicContact CB-CB 4.25Å; A10-L27 PolarHBondContact N-O 3.35Å; A10-L27 PolarHBondContact O-N 2.82Å; A10-L29 HydrophobicContact CB-CD1 4.4Å; A10-L44 HydrophobicContact CB-CD1 4.47Å; A10-L44 HydrophobicContact CB-CD2 4.32Å; A10-M150 WeakPolarHBondContact CA-O 3.14Å; A10-M150 HydrophobicContact CB-CB 4.17Å; A10-M150 HydrophobicContact CB-CE 4.13Å
11T98.6Very high90.3Very high72 Ų7272.9 Ų72.944%0.44239%0.385SS..EExtended strand (participates in β ladder)trans-88.7121.1162.4-50.40000106.5M150 T151 L152T11-M150 PolarHBondContact N-O 3.02Å; T11-T151 WeakPolarHBondContact O-CA 3.42Å; T11-L152 PolarHBondContact O-N 3.29Å
12V98.4Very high92.8Very high1 Ų167.9 Ų67.91%0.00636%0.357CS..EExtended strand (participates in β ladder)trans-122.2134-175.2-56.40000110.5A10 D24 A25 L27 L44 W47 L48 L152A10-V12 HydrophobicContact CB-CG1 3.96Å; V12-D24 WeakPolarHBondContact O-CA 3.32Å; V12-A25 HydrophobicContact CG2-CB 3.81Å; V12-A25 PolarHBondContact N-O 2.96Å; V12-A25 PolarHBondContact O-N 3.4Å; V12-L27 HydrophobicContact CG1-CD1 3.93Å; V12-L27 HydrophobicContact CG1-CG 4.49Å; V12-L27 HydrophobicContact CG2-CD1 3.85Å; V12-L27 HydrophobicContact CG2-CG 4.08Å; V12-L44 HydrophobicContact CG1-CD1 4.45Å; V12-W47 HydrophobicContact CG2-CE3 4.36Å; V12-W47 HydrophobicContact CG2-CH2 4.13Å; V12-W47 HydrophobicContact CG2-CZ3 3.62Å; V12-L48 HydrophobicContact CB-CD2 3.98Å; V12-L48 HydrophobicContact CG1-CD2 4.1Å; V12-L48 HydrophobicContact CG2-CD2 4.29Å; V12-L152 WeakPolarHBondContact CA-O 3.35Å; V12-L152 HydrophobicContact CG1-CB 4.32Å
13N98.5Very high94.9Very high47 Ų4764.4 Ų64.425%0.25133%0.325SS..EExtended strand (participates in β ladder)trans-111.3120.9166.4177-96.8000107.9D24 L152 Q153 A154N13-D24 WeakPolarHBondContact CB-OD1 3.47Å; N13-D24 PolarHBondContact ND2-OD1 2.99Å; N13-L152 PolarHBondContact N-O 3.23Å; N13-Q153 HydrophobicContact CB-CG 4.48Å; N13-Q153 CarbonylContact O-C 3.54Å; N13-Q153 WeakPolarHBondContact O-CA 3.24Å; N13-Q153 PolarHBondContact OD1-NE2 2.79Å; N13-A154 PolarHBondContact O-N 3.42Å
14V98.6Very high96.7Very high2 Ų264.1 Ų64.11%0.01232%0.324CS..EExtended strand (participates in β ladder)trans-114.3120-179.6-173.80000109D16 F22 L23 W47 L48 A51 A154 I156V14-D16 HydrophobicContact CG1-CB 4.3Å; V14-F22 CarbonylContact O-C 3.56Å; V14-F22 VanDerWaalsContact O-CA 3.3Å; V14-F22 WeakPolarHBondContact O-CA 3.36Å; V14-L23 PolarHBondContact N-O 3.26Å; V14-L23 PolarHBondContact O-N 3.03Å; V14-W47 HydrophobicContact CG2-CZ3 4.24Å; V14-L48 HydrophobicContact CG2-CD2 3.62Å; V14-A51 HydrophobicContact CB-CB 4.2Å; V14-A51 HydrophobicContact CG1-CB 4Å; V14-A51 HydrophobicContact CG2-CB 3.93Å; V14-A154 CarbonylContact C-O 3.6Å; V14-A154 WeakPolarHBondContact CA-O 3.27Å; V14-I156 HydrophobicContact CG1-CD1 4.34Å
15A98.7Very high97.4Very high9 Ų956 Ų567%0.07429%0.292CS..EExtended strand (participates in β ladder)trans-108.689.6169.700000108.5L17 F22 A154 T155 I156A15-L17 PolarHBondContact O-N 3.29Å; A15-F22 HydrophobicContact CB-CD1 3.78Å; A15-F22 HydrophobicContact CB-CE1 3.62Å; A15-A154 PolarHBondContact N-O 3.5Å; A15-T155 HydrophobicContact CB-CG2 4.46Å; A15-T155 CarbonylContact O-C 3.56Å; A15-T155 VanDerWaalsContact O-CA 3.31Å; A15-T155 WeakPolarHBondContact O-CA 3.42Å; A15-I156 PolarHBondContact O-N 3.09Å
16D98.3Very high97.8Very high4 Ų458.7 Ų58.72%0.02131%0.308CS..EExtended strand (participates in β ladder)trans-93.498.5179.8-167.1-39.7000109.9V14 D18 R19 N20 Q21 I156V14-D16 HydrophobicContact CG1-CB 4.3Å; D16-D18 VanDerWaalsContact C-N 3.35Å; D16-D18 WeakPolarHBondContact OD1-CB 3.3Å; D16-D18 PolarHBondContact OD1-N 2.82Å; D16-D18 VanDerWaalsContact OD1-N 3.16Å; D16-R19 PolarHBondContact OD1-N 3.15Å; D16-R19 IonicContact OD1-NE 3.55Å; D16-R19 IonicContact OD2-CZ 3.19Å; D16-R19 IonicContact OD2-NE 2.71Å; D16-R19 PolarHBondContact OD2-NE 2.93Å; D16-R19 IonicContact OD2-NH2 2.79Å; D16-R19 PolarHBondContact OD2-NH2 3.07Å; D16-N20 CarbonylContact O-C 3.58Å; D16-N20 WeakPolarHBondContact O-CA 3.16Å; D16-N20 PolarHBondContact O-N 3.01Å; D16-Q21 WeakPolarHBondContact CA-O 3.23Å; D16-Q21 HydrophobicContact CB-CB 4.45Å; D16-Q21 PolarHBondContact N-O 3.13Å; D16-Q21 PolarHBondContact O-N 3.07Å; D16-I156 HydrophobicContact CB-CB 4.34Å; D16-I156 HydrophobicContact CB-CD1 4.49Å
17L98.2Very high98Very high78 Ų7856.9 Ų56.941%0.40830%0.296SS..THydrogen-bonded Turntrans-75.9-28.2-178.5-55.6-176.9000111.6A15 R19 N20 F22 T155 I156 Q157A15-L17 PolarHBondContact O-N 3.29Å; L17-R19 VanDerWaalsContact C-N 3.34Å; L17-N20 PolarHBondContact O-N 2.83Å; L17-F22 HydrophobicContact CD2-CZ 3.89Å; L17-T155 HydrophobicContact CD1-CG2 4.32Å; L17-T155 HydrophobicContact CG-CG2 4.49Å; L17-I156 WeakPolarHBondContact CB-O 3.42Å; L17-I156 PolarHBondContact N-O 3.41Å; L17-Q157 HydrophobicContact CB-CB 4.49Å; L17-Q157 HydrophobicContact CD1-CB 4.26Å; L17-Q157 HydrophobicContact CD1-CG 4.33Å
18D97.4Very high98Very high79 Ų7956.6 Ų56.642%0.42230%0.298SS..THydrogen-bonded Turntrans-66.3-38.4177.9-64.8-17000111.3D16 Q157 D158 G159D16-D18 VanDerWaalsContact C-N 3.35Å; D16-D18 WeakPolarHBondContact OD1-CB 3.3Å; D16-D18 PolarHBondContact OD1-N 2.82Å; D16-D18 VanDerWaalsContact OD1-N 3.16Å; D18-Q157 WeakPolarHBondContact OD1-CA 3.4Å; D18-D158 PolarHBondContact OD1-N 3.39Å; D18-D158 PolarHBondContact OD2-N 3.04Å; D18-G159 PolarHBondContact OD2-N 3.18Å
19R96.8Very high97.9Very high100 Ų10055.8 Ų55.838%0.37730%0.295SS..THydrogen-bonded Turntrans-98.81.2177.5-63.3-175-70.8154.56.4113.8D16 L17 Q21 K49 A51D16-R19 PolarHBondContact OD1-N 3.15Å; D16-R19 IonicContact OD1-NE 3.55Å; D16-R19 IonicContact OD2-CZ 3.19Å; D16-R19 IonicContact OD2-NE 2.71Å; D16-R19 PolarHBondContact OD2-NE 2.93Å; D16-R19 IonicContact OD2-NH2 2.79Å; D16-R19 PolarHBondContact OD2-NH2 3.07Å; L17-R19 VanDerWaalsContact C-N 3.34Å; R19-Q21 VanDerWaalsContact C-N 3.27Å; R19-Q21 HydrophobicContact CB-CB 4.4Å; R19-Q21 PolarHBondContact O-N 3.24Å; R19-K49 PolarHBondContact NH2-O 3Å; R19-A51 PolarHBondContact NH1-O 3.02Å
20N97Very high97.7Very high136 Ų13653.5 Ų53.573%0.72729%0.294SS*.THydrogen-bonded Turntrans49.945.7-174-171.745.8000112.7D16 L17D16-N20 CarbonylContact O-C 3.58Å; D16-N20 WeakPolarHBondContact O-CA 3.16Å; D16-N20 PolarHBondContact O-N 3.01Å; L17-N20 PolarHBondContact O-N 2.83Å
21Q97.2Very high97.6Very high55 Ų5556.1 Ų56.126%0.25730%0.304SS..EExtended strand (participates in β ladder)trans-126.1132.3-174.2-176.8-177.6-36.900111D16 R19 A51D16-Q21 WeakPolarHBondContact CA-O 3.23Å; D16-Q21 HydrophobicContact CB-CB 4.45Å; D16-Q21 PolarHBondContact N-O 3.13Å; D16-Q21 PolarHBondContact O-N 3.07Å; R19-Q21 VanDerWaalsContact C-N 3.27Å; R19-Q21 HydrophobicContact CB-CB 4.4Å; R19-Q21 PolarHBondContact O-N 3.24Å; Q21-A51 PolarHBondContact NE2-O 2.88Å
22F98.1Very high97.2Very high138 Ų13855.6 Ų55.661%0.60530%0.296SS*.EExtended strand (participates in β ladder)trans-118.8127.1172.6-64.5-98.4000108.6V14 A15 L17V14-F22 CarbonylContact O-C 3.56Å; V14-F22 VanDerWaalsContact O-CA 3.3Å; V14-F22 WeakPolarHBondContact O-CA 3.36Å; A15-F22 HydrophobicContact CB-CD1 3.78Å; A15-F22 HydrophobicContact CB-CE1 3.62Å; L17-F22 HydrophobicContact CD2-CZ 3.89Å
23L98.2Very high96.9Very high25 Ų2558.1 Ų58.113%0.13131%0.312CS..EExtended strand (participates in β ladder)trans-140.2129.4-174.8-177.869.4000111.3V14 W47 A51 E53V14-L23 PolarHBondContact N-O 3.26Å; V14-L23 PolarHBondContact O-N 3.03Å; L23-W47 HydrophobicContact CD2-CH2 3.69Å; L23-W47 HydrophobicContact CD2-CZ2 4.41Å; L23-W47 HydrophobicContact CD2-CZ3 4.48Å; L23-A51 HydrophobicContact CD2-CB 4.01Å; L23-E53 HydrophobicContact CD1-CB 4.3Å
24D98.3Very high96.6Very high120 Ų12059.7 Ų59.764%0.64233%0.327SS*.EExtended strand (participates in β ladder)trans-103.1130164.4-71-58.1000109.5V12 N13V12-D24 WeakPolarHBondContact O-CA 3.32Å; N13-D24 WeakPolarHBondContact CB-OD1 3.47Å; N13-D24 PolarHBondContact ND2-OD1 2.99Å
25A98.2Very high96.4Very high18 Ų1860 Ų6015%0.14933%0.328CS..EExtended strand (participates in β ladder)trans-141.3148.3178.900000112.6V12 L27 W47V12-A25 HydrophobicContact CG2-CB 3.81Å; V12-A25 PolarHBondContact N-O 2.96Å; V12-A25 PolarHBondContact O-N 3.4Å; A25-L27 HydrophobicContact CB-CD2 4.04Å; A25-W47 HydrophobicContact CB-CH2 3.52Å; A25-W47 HydrophobicContact CB-CZ2 4.08Å; A25-W47 HydrophobicContact CB-CZ3 4.37Å
26S97.9Very high96.3Very high102 Ų10262.8 Ų62.871%0.71334%0.344SS*.EExtended strand (participates in β ladder)trans-109.5105.5172.1-70.80000109.8
27L98Very high96.2Very high17 Ų1765.9 Ų65.99%0.08936%0.359CS..EExtended strand (participates in β ladder)trans-97.6147.7-174.3-50179.1000111.6K9 A10 V12 A25 L29 L44 W47 F57K9-L27 WeakPolarHBondContact CA-O 3.48Å; A10-L27 HydrophobicContact CB-CB 4.25Å; A10-L27 PolarHBondContact N-O 3.35Å; A10-L27 PolarHBondContact O-N 2.82Å; V12-L27 HydrophobicContact CG1-CD1 3.93Å; V12-L27 HydrophobicContact CG1-CG 4.49Å; V12-L27 HydrophobicContact CG2-CD1 3.85Å; V12-L27 HydrophobicContact CG2-CG 4.08Å; A25-L27 HydrophobicContact CB-CD2 4.04Å; L27-L29 HydrophobicContact CB-CD1 4.23Å; L27-L44 HydrophobicContact CD1-CD1 3.49Å; L27-L44 VanDerWaalsContact CD1-CD1 3.49Å; L27-W47 HydrophobicContact CD1-CD2 3.72Å; L27-W47 HydrophobicContact CD1-CE3 3.66Å; L27-W47 HydrophobicContact CD1-CG 4.23Å; L27-W47 HydrophobicContact CD1-CH2 4.46Å; L27-W47 HydrophobicContact CD1-CZ2 4.5Å; L27-W47 HydrophobicContact CD1-CZ3 4.06Å; L27-W47 HydrophobicContact CD2-CD2 4.08Å; L27-W47 HydrophobicContact CD2-CE3 4.44Å; L27-W47 HydrophobicContact CD2-CH2 3.98Å; L27-W47 HydrophobicContact CD2-CZ2 3.55Å; L27-W47 HydrophobicContact CD2-CZ3 4.41Å; L27-F57 HydrophobicContact CB-CE2 4.38Å; L27-F57 HydrophobicContact CD1-CE2 4.32Å
28T97.1Very high96.2Very high66 Ų6665.9 Ų65.941%0.40536%0.357SS..EExtended strand (participates in β ladder)trans-127.2118.8172.4-58.30000108.9I7 Y8 K9I7-T28 HydrophobicContact CG2-CG2 3.71Å; Y8-T28 WeakPolarHBondContact O-CA 3.22Å; K9-T28 HydrophobicContact CD-CG2 4.12Å; K9-T28 WeakPolarHBondContact CD-OG1 3.36Å; K9-T28 PolarHBondContact NZ-OG1 2.86Å
29L95.9Very high96.2Very high1 Ų163.1 Ų63.11%0.00534%0.341CS..EExtended strand (participates in β ladder)trans-110.8123.6179.4-58.191.3000109.3I7 Y8 A10 L27 M40 L44 F57I7-L29 CarbonylContact C-O 3.59Å; I7-L29 WeakPolarHBondContact CA-O 3.3Å; Y8-L29 PolarHBondContact N-O 2.99Å; Y8-L29 PolarHBondContact O-N 2.78Å; A10-L29 HydrophobicContact CB-CD1 4.4Å; L27-L29 HydrophobicContact CB-CD1 4.23Å; L29-M40 HydrophobicContact CD2-CG 4.21Å; L29-L44 HydrophobicContact CD2-CB 4.1Å; L29-F57 HydrophobicContact CD1-CE2 4.18Å; L29-F57 HydrophobicContact CD2-CD2 4.42Å; L29-F57 HydrophobicContact CD2-CE1 4.34Å; L29-F57 HydrophobicContact CD2-CE2 3.8Å; L29-F57 HydrophobicContact CD2-CZ 3.76Å; L29-F57 HydrophobicContact CG-CD2 4.01Å; L29-F57 HydrophobicContact CG-CE2 3.65Å; L29-F57 HydrophobicContact CG-CZ 4.15Å
30A94.5Very high96.3Very high50 Ų5058.4 Ų58.441%0.41332%0.323SS..EExtended strand (participates in β ladder)trans-92.2111.8169.500000109A5 I7A5-A30 HydrophobicContact CB-CB 4.19Å; I7-A30 HydrophobicContact CD1-CB 3.78Å
31R94.8Very high96.3Very high59 Ų5952 Ų5222%0.22329%0.288CS..EExtended strand (participates in β ladder)trans-88.8110.7175.6-165.8-178.9116-162.31.3109.9A5 T6 Y8 E35 M40A5-R31 CarbonylContact C-O 3.56Å; A5-R31 VanDerWaalsContact CA-O 3.27Å; A5-R31 WeakPolarHBondContact CA-O 3.35Å; A5-R31 WeakPolarHBondContact CB-O 3.41Å; T6-R31 PolarHBondContact N-O 2.79Å; T6-R31 WeakPolarHBondContact O-CB 3.4Å; T6-R31 PolarHBondContact O-N 2.71Å; Y8-R31 HydrophobicContact CD2-CB 4.2Å; Y8-R31 HydrophobicContact CE2-CB 4.06Å; Y8-R31 PolarHBondContact OH-NH1 2.93Å; R31-E35 WeakPolarHBondContact CA-OE2 3.39Å; R31-E35 HydrophobicContact CG-CB 3.96Å; R31-E35 HydrophobicContact CG-CG 4.2Å; R31-E35 PolarHBondContact NE-O 2.86Å; R31-E35 VanDerWaalsContact NE-O 3.11Å; R31-M40 HydrophobicContact CB-SD 3.96Å; R31-M40 HydrophobicContact CG-CB 4.27Å; R31-M40 HydrophobicContact CG-CG 4.42Å; R31-M40 HydrophobicContact CG-SD 4.1Å
32H92.1Very high96.4Very high60 Ų6049.4 Ų49.428%0.27828%0.276SS..  trans-68.1148.8173.6-176.3-102.7000109.9S34 E35 C62H32-S34 WeakPolarHBondContact ND1-CB 3.47Å; H32-S34 PolarHBondContact ND1-N 3.2Å; H32-S34 VanDerWaalsContact ND1-N 3.19Å; H32-S34 PolarHBondContact ND1-OG 2.71Å; H32-S34 PolarHBondContact O-N 2.83Å; H32-S34 VanDerWaalsContact O-N 3.13Å; H32-E35 WeakPolarHBondContact O-CA 3.5Å; H32-E35 WeakPolarHBondContact O-CB 3.43Å; H32-E35 PolarHBondContact O-N 3.4Å; H32-C62 VanDerWaalsContact CD2-SG 3.51Å; H32-C62 VanDerWaalsContact CG-SG 3.55Å
33P91.5Very high96.4Very high54 Ų5443.2 Ų43.235%0.35125%0.249SC..THydrogen-bonded Turntrans-63.6-18.8-178.2-34.746.7000116.1L3 E35L3-P33 HydrophobicContact CB-CB 4.22Å; L3-P33 HydrophobicContact CB-CG 3.81Å; L3-P33 HydrophobicContact CD2-CB 3.84Å; L3-P33 HydrophobicContact CD2-CG 3.83Å; L3-P33 HydrophobicContact CG-CB 4.41Å; L3-P33 HydrophobicContact CG-CG 4.36Å; P33-E35 VanDerWaalsContact C-N 3.28Å
34S91.9Very high96.4Very high81 Ų8142.1 Ų42.157%0.56624%0.243SC*.THydrogen-bonded Turntrans-80.4-8.9169.769.70000113.7H32H32-S34 WeakPolarHBondContact ND1-CB 3.47Å; H32-S34 PolarHBondContact ND1-N 3.2Å; H32-S34 VanDerWaalsContact ND1-N 3.19Å; H32-S34 PolarHBondContact ND1-OG 2.71Å; H32-S34 PolarHBondContact O-N 2.83Å; H32-S34 VanDerWaalsContact O-N 3.13Å
35E94.4Very high96.4Very high7 Ų736.5 Ų36.53%0.03321%0.213CC..SBendtrans-90.4126.7-179.8-170.8-179.7-163.800111R31 H32 P33 R39 M40 R43 L61R31-E35 WeakPolarHBondContact CA-OE2 3.39Å; R31-E35 HydrophobicContact CG-CB 3.96Å; R31-E35 HydrophobicContact CG-CG 4.2Å; R31-E35 PolarHBondContact NE-O 2.86Å; R31-E35 VanDerWaalsContact NE-O 3.11Å; H32-E35 WeakPolarHBondContact O-CA 3.5Å; H32-E35 WeakPolarHBondContact O-CB 3.43Å; H32-E35 PolarHBondContact O-N 3.4Å; P33-E35 VanDerWaalsContact C-N 3.28Å; E35-R39 HydrophobicContact CG-CB 4.03Å; E35-R39 HydrophobicContact CG-CG 4.22Å; E35-M40 WeakPolarHBondContact OE1-CA 3.33Å; E35-M40 PolarHBondContact OE1-N 3.29Å; E35-R43 IonicContact OE1-CZ 3.44Å; E35-R43 IonicContact OE1-NE 2.94Å; E35-R43 PolarHBondContact OE1-NE 2.95Å; E35-R43 IonicContact OE1-NH2 3.11Å; E35-R43 PolarHBondContact OE1-NH2 3.13Å; E35-R43 IonicContact OE2-CZ 3.19Å; E35-R43 IonicContact OE2-NH2 2.77Å; E35-R43 PolarHBondContact OE2-NH2 3.46Å; E35-L61 HydrophobicContact CB-CD1 3.84Å; E35-L61 HydrophobicContact CG-CD1 3.95Å
36T96Very high96.4Very high68 Ų6835.7 Ų35.742%0.41721%0.206SC..  trans-72.8154.8174.466.60000110.9E38 R39 M40T36-E38 PolarHBondContact O-N 3.13Å; T36-R39 PolarHBondContact O-N 3.35Å; T36-R39 WeakPolarHBondContact OG1-CB 3.05Å; T36-R39 PolarHBondContact OG1-N 2.97Å; T36-R39 VanDerWaalsContact OG1-N 3.17Å; T36-M40 PolarHBondContact O-N 2.9Å; T36-M40 VanDerWaalsContact O-N 3.12Å
37Q97.3Very high96.4Very high70 Ų7031 Ų3133%0.32717%0.173SC..Hα-helixtrans-58.3-40.1174.2-177.3174-69.500111.7R39 M40 M41 S143 A146Q37-R39 PolarHBondContact O-N 2.71Å; Q37-M40 PolarHBondContact O-N 3.2Å; Q37-M41 HydrophobicContact CG-CG 4.47Å; Q37-M41 WeakPolarHBondContact O-CG 3.43Å; Q37-M41 PolarHBondContact O-N 2.95Å; Q37-S143 PolarHBondContact NE2-O 3.49Å; Q37-S143 PolarHBondContact NE2-OG 3.37Å; Q37-A146 VanDerWaalsContact CD-CB 3.49Å; Q37-A146 HydrophobicContact CG-CB 3.63Å
38E97.8Very high96.4Very high77 Ų7730.3 Ų30.336%0.3617%0.169SC..Hα-helixtrans-58-48.2176.3-68.5170.4157.800111.8T36 M40 M41 L42 L139T36-E38 PolarHBondContact O-N 3.13Å; E38-M40 VanDerWaalsContact C-N 3.33Å; E38-M40 PolarHBondContact O-N 3.24Å; E38-M41 PolarHBondContact O-N 2.89Å; E38-L42 WeakPolarHBondContact O-CB 3.39Å; E38-L42 PolarHBondContact O-N 2.81Å; E38-L139 HydrophobicContact CB-CD1 4.09Å; E38-L139 HydrophobicContact CB-CD2 4.05Å; E38-L139 HydrophobicContact CB-CG 3.96Å; E38-L139 HydrophobicContact CG-CG 4.22Å
39R97.4Very high96.5Very high22 Ų2228.5 Ų28.58%0.08316%0.156CC..Hα-helixtrans-63.2-41.2178.8-174.7178.1178.786.1-1111.6E35 T36 Q37 L42 R43 E68 L84 Y107E35-R39 HydrophobicContact CG-CB 4.03Å; E35-R39 HydrophobicContact CG-CG 4.22Å; T36-R39 PolarHBondContact O-N 3.35Å; T36-R39 WeakPolarHBondContact OG1-CB 3.05Å; T36-R39 PolarHBondContact OG1-N 2.97Å; T36-R39 VanDerWaalsContact OG1-N 3.17Å; Q37-R39 PolarHBondContact O-N 2.71Å; R39-L42 PolarHBondContact O-N 2.9Å; R39-R43 PolarHBondContact O-N 2.86Å; R39-E68 IonicContact CZ-OE1 2.69Å; R39-E68 IonicContact NE-OE1 3.52Å; R39-E68 IonicContact NH2-OE1 2.67Å; R39-E68 PolarHBondContact NH2-OE1 3.06Å; R39-L84 HydrophobicContact CG-CD2 4.08Å; R39-L84 PolarHBondContact NH1-O 3.19Å; R39-L84 VanDerWaalsContact NH1-O 3.07Å; R39-L84 PolarHBondContact NH2-O 3.45Å; R39-Y107 PolarHBondContact NH1-OH 3.46Å; R39-Y107 VanDerWaalsContact NH1-OH 3.16Å
40M97.7Very high96.6Very high0 Ų029.7 Ų29.70%016%0.16CC..Hα-helixtrans-61-45.4176.2-178.9-159.877.400111.4Y8 L29 R31 E35 T36 Q37 E38 R43 L44 A146Y8-M40 HydrophobicContact CD1-CE 3.65Å; Y8-M40 HydrophobicContact CD1-SD 3.88Å; Y8-M40 HydrophobicContact CD2-CE 4.34Å; Y8-M40 HydrophobicContact CD2-SD 3.47Å; Y8-M40 WeakPolarHBondContact CD2-SD 3.46Å; Y8-M40 HydrophobicContact CE1-CE 3.72Å; Y8-M40 HydrophobicContact CE1-SD 4.09Å; Y8-M40 HydrophobicContact CE2-CE 4.38Å; Y8-M40 HydrophobicContact CE2-SD 3.66Å; Y8-M40 HydrophobicContact CG-CE 4.02Å; Y8-M40 HydrophobicContact CG-SD 3.61Å; L29-M40 HydrophobicContact CD2-CG 4.21Å; R31-M40 HydrophobicContact CB-SD 3.96Å; R31-M40 HydrophobicContact CG-CB 4.27Å; R31-M40 HydrophobicContact CG-CG 4.42Å; R31-M40 HydrophobicContact CG-SD 4.1Å; E35-M40 WeakPolarHBondContact OE1-CA 3.33Å; E35-M40 PolarHBondContact OE1-N 3.29Å; T36-M40 PolarHBondContact O-N 2.9Å; T36-M40 VanDerWaalsContact O-N 3.12Å; Q37-M40 PolarHBondContact O-N 3.2Å; E38-M40 VanDerWaalsContact C-N 3.33Å; E38-M40 PolarHBondContact O-N 3.24Å; M40-R43 VanDerWaalsContact O-CB 3.25Å; M40-R43 WeakPolarHBondContact O-CB 3.35Å; M40-R43 PolarHBondContact O-N 3.07Å; M40-L44 PolarHBondContact O-N 2.96Å; M40-A146 HydrophobicContact CE-CB 4.18Å
41M98.3Very high96.8Very high2 Ų227.3 Ų27.31%0.0114%0.141CC..Hα-helixtrans-71.1-33.3179.1-70.2-55.6-64.500112.7Q37 E38 R43 L44 L45 V142 F145 A146 M150Q37-M41 HydrophobicContact CG-CG 4.47Å; Q37-M41 WeakPolarHBondContact O-CG 3.43Å; Q37-M41 PolarHBondContact O-N 2.95Å; E38-M41 PolarHBondContact O-N 2.89Å; M41-R43 VanDerWaalsContact C-N 3.26Å; M41-R43 PolarHBondContact O-N 3.4Å; M41-L44 HydrophobicContact CE-CD2 3.92Å; M41-L44 PolarHBondContact O-N 2.88Å; M41-L44 HydrophobicContact SD-CD2 4.11Å; M41-L45 WeakPolarHBondContact O-CB 3.38Å; M41-L45 PolarHBondContact O-N 2.81Å; M41-V142 HydrophobicContact CB-CG1 4.14Å; M41-F145 HydrophobicContact CE-CB 3.92Å; M41-A146 HydrophobicContact CG-CB 3.83Å; M41-A146 HydrophobicContact SD-CB 3.8Å; M41-M150 HydrophobicContact CE-SD 4.12Å; M41-M150 HydrophobicContact SD-CE 4.5Å; M41-M150 HydrophobicContact SD-SD 3.9Å
42L98.3Very high96.9Very high0 Ų026.6 Ų26.60%014%0.141CC..Hα-helixtrans-62.7-35.7169.4-176.160.8000111.3E38 R39 L45 A46 L84 F105 Y107 L134 L139E38-L42 WeakPolarHBondContact O-CB 3.39Å; E38-L42 PolarHBondContact O-N 2.81Å; R39-L42 PolarHBondContact O-N 2.9Å; L42-L45 HydrophobicContact CD1-CD2 4.26Å; L42-L45 PolarHBondContact O-N 2.96Å; L42-A46 WeakPolarHBondContact O-CB 3.18Å; L42-A46 PolarHBondContact O-N 3.43Å; L42-L84 HydrophobicContact CB-CD2 4Å; L42-L84 HydrophobicContact CD2-CD2 4.06Å; L42-L84 HydrophobicContact CD2-CG 4.18Å; L42-L84 HydrophobicContact CG-CD2 3.9Å; L42-L84 HydrophobicContact CG-CG 4.23Å; L42-F105 HydrophobicContact CD1-CB 4.42Å; L42-F105 HydrophobicContact CD1-CD1 4.31Å; L42-F105 HydrophobicContact CD2-CB 4.31Å; L42-F105 HydrophobicContact CG-CB 4.33Å; L42-Y107 HydrophobicContact CD2-CD1 3.37Å; L42-Y107 HydrophobicContact CD2-CE1 4.01Å; L42-Y107 HydrophobicContact CD2-CG 3.86Å; L42-L134 HydrophobicContact CD1-CB 4.33Å; L42-L134 HydrophobicContact CD1-CD2 3.95Å; L42-L139 HydrophobicContact CB-CD1 4.01Å
43R97.7Very high97.1Very high8 Ų831.6 Ų31.63%0.0317%0.165CC..Hα-helixtrans-65.9-41.5175.7-142.8-165.1-37168.924111.4E35 R39 M40 M41 A46 W47 F57 E68 L84E35-R43 IonicContact OE1-CZ 3.44Å; E35-R43 IonicContact OE1-NE 2.94Å; E35-R43 PolarHBondContact OE1-NE 2.95Å; E35-R43 IonicContact OE1-NH2 3.11Å; E35-R43 PolarHBondContact OE1-NH2 3.13Å; E35-R43 IonicContact OE2-CZ 3.19Å; E35-R43 IonicContact OE2-NH2 2.77Å; E35-R43 PolarHBondContact OE2-NH2 3.46Å; R39-R43 PolarHBondContact O-N 2.86Å; M40-R43 VanDerWaalsContact O-CB 3.25Å; M40-R43 WeakPolarHBondContact O-CB 3.35Å; M40-R43 PolarHBondContact O-N 3.07Å; M41-R43 VanDerWaalsContact C-N 3.26Å; M41-R43 PolarHBondContact O-N 3.4Å; R43-A46 PolarHBondContact O-N 3.38Å; R43-W47 PolarHBondContact O-N 3.02Å; R43-F57 HydrophobicContact CB-CE1 4.27Å; R43-F57 HydrophobicContact CG-CD1 4.11Å; R43-F57 HydrophobicContact CG-CE1 3.85Å; R43-E68 WeakPolarHBondContact CD-OE2 3.41Å; R43-E68 HydrophobicContact CG-CB 3.87Å; R43-E68 IonicContact CZ-OE2 3.45Å; R43-E68 IonicContact NE-OE2 3.56Å; R43-E68 IonicContact NH1-OE2 3.28Å; R43-L84 HydrophobicContact CB-CD2 3.91Å; R43-L84 HydrophobicContact CG-CD1 4.3Å; R43-L84 HydrophobicContact CG-CD2 4.05Å
44L98.3Very high97.4Very high3 Ų333.4 Ų33.42%0.01617%0.165CC..Hα-helixtrans-63.7-45.1173.7-178.955.1000111.3A10 V12 L27 L29 M40 M41 A46 W47 L48 M150 L152A10-L44 HydrophobicContact CB-CD1 4.47Å; A10-L44 HydrophobicContact CB-CD2 4.32Å; V12-L44 HydrophobicContact CG1-CD1 4.45Å; L27-L44 HydrophobicContact CD1-CD1 3.49Å; L27-L44 VanDerWaalsContact CD1-CD1 3.49Å; L29-L44 HydrophobicContact CD2-CB 4.1Å; M40-L44 PolarHBondContact O-N 2.96Å; M41-L44 HydrophobicContact CE-CD2 3.92Å; M41-L44 PolarHBondContact O-N 2.88Å; M41-L44 HydrophobicContact SD-CD2 4.11Å; L44-A46 VanDerWaalsContact C-N 3.32Å; L44-A46 PolarHBondContact O-N 3.2Å; L44-W47 WeakPolarHBondContact O-CB 3.46Å; L44-W47 PolarHBondContact O-N 3.08Å; L44-W47 VanDerWaalsContact O-N 3.14Å; L44-L48 WeakPolarHBondContact O-CG 3.45Å; L44-L48 PolarHBondContact O-N 3.41Å; L44-M150 HydrophobicContact CD2-CE 4.22Å; L44-M150 HydrophobicContact CD2-SD 4.27Å; L44-L152 HydrophobicContact CD2-CD1 3.59Å; L44-L152 HydrophobicContact CG-CD1 4.43Å
45L98.5Very high97.7Very high2 Ų229.9 Ų29.91%0.0114%0.14CC..Hα-helixtrans-59.9-41.8175.2-175.371.2000112M41 L42 W47 L48 K49 L134 I161 V172 L174M41-L45 WeakPolarHBondContact O-CB 3.38Å; M41-L45 PolarHBondContact O-N 2.81Å; L42-L45 HydrophobicContact CD1-CD2 4.26Å; L42-L45 PolarHBondContact O-N 2.96Å; L45-W47 VanDerWaalsContact C-N 3.31Å; L45-W47 PolarHBondContact O-N 3.18Å; L45-L48 PolarHBondContact O-N 3.03Å; L45-K49 PolarHBondContact O-N 3.36Å; L45-L134 HydrophobicContact CD2-CD2 3.93Å; L45-I161 HydrophobicContact CD1-CD1 3.87Å; L45-I161 HydrophobicContact CD1-CG2 4.17Å; L45-I161 HydrophobicContact CG-CD1 4.37Å; L45-V172 HydrophobicContact CD1-CG1 4.26Å; L45-V172 HydrophobicContact CD2-CG1 3.81Å; L45-L174 HydrophobicContact CD2-CD2 4.3Å
46A98.5Very high97.8Very high0 Ų034.5 Ų34.50%016%0.161CC..Hα-helixtrans-61.7-40.6174.900000111.9L42 R43 L44 K49 Y50 I82 L84 F105L42-A46 WeakPolarHBondContact O-CB 3.18Å; L42-A46 PolarHBondContact O-N 3.43Å; R43-A46 PolarHBondContact O-N 3.38Å; L44-A46 VanDerWaalsContact C-N 3.32Å; L44-A46 PolarHBondContact O-N 3.2Å; A46-K49 PolarHBondContact O-N 3.3Å; A46-Y50 PolarHBondContact O-N 2.93Å; A46-I82 HydrophobicContact CB-CG2 3.82Å; A46-L84 HydrophobicContact CB-CD1 4.3Å; A46-F105 HydrophobicContact CB-CD1 4.11Å; A46-F105 HydrophobicContact CB-CD2 3.63Å; A46-F105 HydrophobicContact CB-CE1 3.89Å; A46-F105 HydrophobicContact CB-CE2 3.41Å; A46-F105 VanDerWaalsContact CB-CE2 3.41Å; A46-F105 HydrophobicContact CB-CG 3.97Å; A46-F105 HydrophobicContact CB-CZ 3.52Å
47W98.6Very high97.9Very high4 Ų433.1 Ų33.12%0.01515%0.149CC..Hα-helixtrans-61.4-44.9172.4-170.1101.7000111.4V12 V14 L23 A25 L27 R43 L44 L45 K49 Y50 A51 D52 L55 F57V12-W47 HydrophobicContact CG2-CE3 4.36Å; V12-W47 HydrophobicContact CG2-CH2 4.13Å; V12-W47 HydrophobicContact CG2-CZ3 3.62Å; V14-W47 HydrophobicContact CG2-CZ3 4.24Å; L23-W47 HydrophobicContact CD2-CH2 3.69Å; L23-W47 HydrophobicContact CD2-CZ2 4.41Å; L23-W47 HydrophobicContact CD2-CZ3 4.48Å; A25-W47 HydrophobicContact CB-CH2 3.52Å; A25-W47 HydrophobicContact CB-CZ2 4.08Å; A25-W47 HydrophobicContact CB-CZ3 4.37Å; L27-W47 HydrophobicContact CD1-CD2 3.72Å; L27-W47 HydrophobicContact CD1-CE3 3.66Å; L27-W47 HydrophobicContact CD1-CG 4.23Å; L27-W47 HydrophobicContact CD1-CH2 4.46Å; L27-W47 HydrophobicContact CD1-CZ2 4.5Å; L27-W47 HydrophobicContact CD1-CZ3 4.06Å; L27-W47 HydrophobicContact CD2-CD2 4.08Å; L27-W47 HydrophobicContact CD2-CE3 4.44Å; L27-W47 HydrophobicContact CD2-CH2 3.98Å; L27-W47 HydrophobicContact CD2-CZ2 3.55Å; L27-W47 HydrophobicContact CD2-CZ3 4.41Å; R43-W47 PolarHBondContact O-N 3.02Å; L44-W47 WeakPolarHBondContact O-CB 3.46Å; L44-W47 PolarHBondContact O-N 3.08Å; L44-W47 VanDerWaalsContact O-N 3.14Å; L45-W47 VanDerWaalsContact C-N 3.31Å; L45-W47 PolarHBondContact O-N 3.18Å; W47-K49 PolarHBondContact O-N 2.97Å; W47-Y50 CarbonylContact O-C 3.57Å; W47-Y50 VanDerWaalsContact O-C 3.28Å; W47-Y50 PolarHBondContact O-N 2.69Å; W47-A51 HydrophobicContact CE3-CB 4.17Å; W47-A51 HydrophobicContact CH2-CB 4.09Å; W47-A51 HydrophobicContact CZ3-CB 3.68Å; W47-A51 WeakPolarHBondContact O-CA 3.31Å; W47-A51 PolarHBondContact O-N 3.27Å; W47-D52 WeakPolarHBondContact CZ2-O 3.49Å; W47-L55 HydrophobicContact CB-CD2 4.34Å; W47-L55 HydrophobicContact CD2-CD2 4.33Å; W47-L55 HydrophobicContact CG-CD2 3.85Å; W47-L55 HydrophobicContact CG-CG 4.36Å; W47-L55 PolarHBondContact NE1-O 2.85Å; W47-F57 HydrophobicContact CB-CE1 3.97Å; W47-F57 HydrophobicContact CB-CZ 3.59Å; W47-F57 AromaticContact CD1-CZ 3.76Å; W47-F57 HydrophobicContact CG-CE1 4.38Å; W47-F57 HydrophobicContact CG-CE2 4.31Å; W47-F57 AromaticContact CG-CZ 3.82Å; W47-F57 HydrophobicContact CG-CZ 3.82Å
48L98.4Very high97.8Very high2 Ų231 Ų311%0.0114%0.141CC..Hα-helixtrans-61.2-44.2178.4-66.3170.5000111.9V12 V14 L44 L45 Y50 A51 A154 I156 L163V12-L48 HydrophobicContact CB-CD2 3.98Å; V12-L48 HydrophobicContact CG1-CD2 4.1Å; V12-L48 HydrophobicContact CG2-CD2 4.29Å; V14-L48 HydrophobicContact CG2-CD2 3.62Å; L44-L48 WeakPolarHBondContact O-CG 3.45Å; L44-L48 PolarHBondContact O-N 3.41Å; L45-L48 PolarHBondContact O-N 3.03Å; L48-Y50 PolarHBondContact O-N 3.23Å; L48-A51 WeakPolarHBondContact O-CB 3.29Å; L48-A51 PolarHBondContact O-N 3.03Å; L48-A154 HydrophobicContact CB-CB 4.48Å; L48-A154 HydrophobicContact CD1-CB 4.16Å; L48-A154 HydrophobicContact CD2-CB 4.11Å; L48-A154 HydrophobicContact CG-CB 4.49Å; L48-I156 WeakPolarHBondContact O-CD1 3.27Å; L48-L163 HydrophobicContact CD1-CD1 3.82Å
49K98.2Very high97.3Very high29 Ų2934.4 Ų34.413%0.12615%0.151CC..Hα-helixtrans-59.4-35.1177.7177.9166.3176.362.10113R19 L45 A46 W47 F105 W132 I161 L174R19-K49 PolarHBondContact NH2-O 3Å; L45-K49 PolarHBondContact O-N 3.36Å; A46-K49 PolarHBondContact O-N 3.3Å; W47-K49 PolarHBondContact O-N 2.97Å; K49-F105 HydrophobicContact CB-CZ 4.33Å; K49-F105 HydrophobicContact CD-CE1 4.09Å; K49-F105 HydrophobicContact CD-CZ 3.89Å; K49-W132 HydrophobicContact CD-CD2 4.45Å; K49-W132 VanDerWaalsContact CE-CH2 3.46Å; K49-I161 HydrophobicContact CB-CD1 4.09Å; K49-L174 HydrophobicContact CD-CD1 3.58Å
50Y98.2Very high96.7Very high26 Ų2633.5 Ų33.510%0.10215%0.149CC..THydrogen-bonded Turntrans-111.525.6-177.8-73.3-84.8000112.1A46 W47 L48 D52 L55 L80 I82 E101 A103 F105 W132A46-Y50 PolarHBondContact O-N 2.93Å; W47-Y50 CarbonylContact O-C 3.57Å; W47-Y50 VanDerWaalsContact O-C 3.28Å; W47-Y50 PolarHBondContact O-N 2.69Å; L48-Y50 PolarHBondContact O-N 3.23Å; Y50-D52 PolarHBondContact O-N 3.31Å; Y50-L55 WeakPolarHBondContact O-CD2 3.45Å; Y50-L80 HydrophobicContact CD1-CD1 4.17Å; Y50-L80 HydrophobicContact CD1-CD2 3.5Å; Y50-L80 VanDerWaalsContact CD1-CD2 3.5Å; Y50-L80 HydrophobicContact CD1-CG 4.5Å; Y50-L80 HydrophobicContact CE1-CD1 4.1Å; Y50-L80 HydrophobicContact CE1-CD2 4.26Å; Y50-L80 HydrophobicContact CG-CD2 3.63Å; Y50-I82 HydrophobicContact CD2-CD1 4.24Å; Y50-I82 HydrophobicContact CG-CD1 4.4Å; Y50-E101 WeakPolarHBondContact CE1-OE1 3.17Å; Y50-E101 PolarHBondContact OH-OE1 3.41Å; Y50-A103 HydrophobicContact CD2-CB 4.27Å; Y50-A103 HydrophobicContact CE1-CB 4.37Å; Y50-A103 HydrophobicContact CE2-CB 3.46Å; Y50-A103 VanDerWaalsContact CE2-CB 3.46Å; Y50-A103 WeakPolarHBondContact OH-CB 3.47Å; Y50-F105 HydrophobicContact CD2-CE2 4.19Å; Y50-F105 HydrophobicContact CD2-CZ 4.02Å; Y50-F105 AromaticContact CE2-CE2 3.9Å; Y50-F105 HydrophobicContact CE2-CE2 3.9Å; Y50-F105 AromaticContact CE2-CZ 3.78Å; Y50-F105 HydrophobicContact CE2-CZ 3.78Å; Y50-W132 AromaticContact CE2-NE1 3.95Å; Y50-W132 AromaticContact CZ-NE1 3.93Å; Y50-W132 PolarHBondContact OH-NE1 3.14Å
51A98.3Very high95.9Very high0 Ų037.3 Ų37.30%017%0.168CC..  trans-51.9128.1-168.900000111.7V14 R19 Q21 L23 W47 L48V14-A51 HydrophobicContact CB-CB 4.2Å; V14-A51 HydrophobicContact CG1-CB 4Å; V14-A51 HydrophobicContact CG2-CB 3.93Å; R19-A51 PolarHBondContact NH1-O 3.02Å; Q21-A51 PolarHBondContact NE2-O 2.88Å; L23-A51 HydrophobicContact CD2-CB 4.01Å; W47-A51 HydrophobicContact CE3-CB 4.17Å; W47-A51 HydrophobicContact CH2-CB 4.09Å; W47-A51 HydrophobicContact CZ3-CB 3.68Å; W47-A51 WeakPolarHBondContact O-CA 3.31Å; W47-A51 PolarHBondContact O-N 3.27Å; L48-A51 WeakPolarHBondContact O-CB 3.29Å; L48-A51 PolarHBondContact O-N 3.03Å
52D98.1Very high95.1Very high44 Ų4440.6 Ų40.624%0.23519%0.191CC..  trans-156.5144.2179.5-173.6-71.8000107.9W47 Y50 R54 L55 L71W47-D52 WeakPolarHBondContact CZ2-O 3.49Å; Y50-D52 PolarHBondContact O-N 3.31Å; D52-R54 PolarHBondContact O-N 2.72Å; D52-R54 WeakPolarHBondContact OD1-CB 3.49Å; D52-R54 PolarHBondContact OD1-N 2.75Å; D52-L55 HydrophobicContact CB-CB 4.08Å; D52-L55 WeakPolarHBondContact O-CB 3.37Å; D52-L55 PolarHBondContact O-N 3.25Å; D52-L55 VanDerWaalsContact O-N 3.13Å; D52-L71 HydrophobicContact CB-CD1 3.96Å; D52-L71 VanDerWaalsContact OD1-CD1 3.27Å; D52-L71 WeakPolarHBondContact OD1-CD1 3.27Å
53E96.1Very high94.5Very high164 Ų16441 Ų4177%0.76620%0.195SC*.THydrogen-bonded Turntrans-61.4-26.1-178.272.7-176.2175.500113.1L23L23-E53 HydrophobicContact CD1-CB 4.3Å
54R97.2Very high93.7Very high92 Ų9247.9 Ų47.935%0.34723%0.232SC..THydrogen-bonded Turntrans-97-5.4-180-60.2164.365.8144.512.8112.8D52 Q56 L71 R72 N73 D74D52-R54 PolarHBondContact O-N 2.72Å; D52-R54 WeakPolarHBondContact OD1-CB 3.49Å; D52-R54 PolarHBondContact OD1-N 2.75Å; R54-Q56 PolarHBondContact O-N 3.49Å; R54-L71 HydrophobicContact CB-CD1 3.5Å; R54-R72 PolarHBondContact NE-O 2.86Å; R54-R72 VanDerWaalsContact NE-O 3.09Å; R54-R72 PolarHBondContact NH2-O 2.91Å; R54-N73 PolarHBondContact NH2-O 2.84Å; R54-D74 IonicContact CZ-OD1 3.69Å; R54-D74 IonicContact NH1-OD1 3.9Å; R54-D74 PolarHBondContact NH1-OD1 3.36Å; R54-D74 IonicContact NH2-OD1 3.21Å; R54-D74 PolarHBondContact NH2-OD1 3.17Å
55L98.2Very high93.3Very high8 Ų852.1 Ų52.14%0.04225%0.254CS..  trans-71.1116.3177.8-179.261.5000109.9W47 Y50 D52 A69 W70 L71 L80 I82W47-L55 HydrophobicContact CB-CD2 4.34Å; W47-L55 HydrophobicContact CD2-CD2 4.33Å; W47-L55 HydrophobicContact CG-CD2 3.85Å; W47-L55 HydrophobicContact CG-CG 4.36Å; W47-L55 PolarHBondContact NE1-O 2.85Å; Y50-L55 WeakPolarHBondContact O-CD2 3.45Å; D52-L55 HydrophobicContact CB-CB 4.08Å; D52-L55 WeakPolarHBondContact O-CB 3.37Å; D52-L55 PolarHBondContact O-N 3.25Å; D52-L55 VanDerWaalsContact O-N 3.13Å; L55-A69 HydrophobicContact CD1-CB 4.07Å; L55-W70 VanDerWaalsContact CD1-C 3.46Å; L55-L71 HydrophobicContact CB-CD1 4.39Å; L55-L71 HydrophobicContact CD1-CB 4.36Å; L55-L80 HydrophobicContact CD1-CD2 4.41Å; L55-I82 HydrophobicContact CD1-CD1 4.06Å; L55-I82 HydrophobicContact CD2-CD1 3.97Å
56Q97.5Very high93Very high104 Ų10453.3 Ų53.349%0.48626%0.26SS..EExtended strand (participates in β ladder)trans-119.2133.1-173.2-70.4177.5-13.200111.8R54 A69 W70R54-Q56 PolarHBondContact O-N 3.49Å; Q56-A69 CarbonylContact O-C 3.57Å; Q56-A69 WeakPolarHBondContact O-CA 3.39Å; Q56-A69 WeakPolarHBondContact O-CB 3.34Å; Q56-W70 PolarHBondContact N-O 2.88Å; Q56-W70 PolarHBondContact O-N 3.16Å
57F97.1Very high92.9Very high39 Ų3953.3 Ų53.317%0.17126%0.26CS..EExtended strand (participates in β ladder)trans-65.1145.7163.3-63.9-61.4000110.4L27 L29 R43 W47 A69L27-F57 HydrophobicContact CB-CE2 4.38Å; L27-F57 HydrophobicContact CD1-CE2 4.32Å; L29-F57 HydrophobicContact CD1-CE2 4.18Å; L29-F57 HydrophobicContact CD2-CD2 4.42Å; L29-F57 HydrophobicContact CD2-CE1 4.34Å; L29-F57 HydrophobicContact CD2-CE2 3.8Å; L29-F57 HydrophobicContact CD2-CZ 3.76Å; L29-F57 HydrophobicContact CG-CD2 4.01Å; L29-F57 HydrophobicContact CG-CE2 3.65Å; L29-F57 HydrophobicContact CG-CZ 4.15Å; R43-F57 HydrophobicContact CB-CE1 4.27Å; R43-F57 HydrophobicContact CG-CD1 4.11Å; R43-F57 HydrophobicContact CG-CE1 3.85Å; W47-F57 HydrophobicContact CB-CE1 3.97Å; W47-F57 HydrophobicContact CB-CZ 3.59Å; W47-F57 AromaticContact CD1-CZ 3.76Å; W47-F57 HydrophobicContact CG-CE1 4.38Å; W47-F57 HydrophobicContact CG-CE2 4.31Å; W47-F57 AromaticContact CG-CZ 3.82Å; W47-F57 HydrophobicContact CG-CZ 3.82Å; F57-A69 HydrophobicContact CD1-CB 3.96Å; F57-A69 HydrophobicContact CE1-CB 4.41Å
58T95Very high92.8Very high26 Ų2653.3 Ų53.316%0.1626%0.26CS..  trans-117.7-163.4177.385.90000109.9G60 E66 P67 E68 W70T58-G60 VanDerWaalsContact C-N 3.28Å; T58-G60 PolarHBondContact OG1-N 2.91Å; T58-E66 WeakPolarHBondContact CB-OE2 3.33Å; T58-E66 WeakPolarHBondContact OG1-CB 3.38Å; T58-E66 PolarHBondContact OG1-OE2 3.46Å; T58-P67 HydrophobicContact CG2-CG 4.3Å; T58-P67 PolarHBondContact OG1-O 3.14Å; T58-E68 PolarHBondContact N-O 2.88Å; T58-W70 HydrophobicContact CG2-CD2 4.02Å; T58-W70 HydrophobicContact CG2-CG 3.97Å; T58-W70 HydrophobicContact CG2-CZ2 4.36Å
59R88.6Confident92.8Very high147 Ų14753.2 Ų53.256%0.55526%0.26SS*.  trans-73.5-15.9172.7-62.9177.8-71.7165.4-1.1113.6L61 C62 A63 E66R59-L61 PolarHBondContact O-N 2.84Å; R59-L61 VanDerWaalsContact O-N 3.16Å; R59-C62 HydrophobicContact CB-CB 4.28Å; R59-C62 PolarHBondContact O-N 3.17Å; R59-A63 HydrophobicContact CB-CB 3.86Å; R59-E66 VanDerWaalsContact CB-OE2 3.31Å; R59-E66 WeakPolarHBondContact CB-OE2 3.42Å; R59-E66 IonicContact CZ-OE1 2.62Å; R59-E66 PolarHBondContact N-OE2 2.94Å; R59-E66 IonicContact NE-OE1 3.8Å; R59-E66 PolarHBondContact NE-OE1 3.24Å; R59-E66 VanDerWaalsContact NE-OE1 3.14Å; R59-E66 IonicContact NE-OE2 3.29Å; R59-E66 PolarHBondContact NE-OE2 3.47Å; R59-E66 IonicContact NH2-OE1 2.67Å; R59-E66 PolarHBondContact NH2-OE1 3.47Å
60G84.8Confident92.8Very high4 Ų453.9 Ų53.94%0.04126%0.262CS..G310 helixtrans46.3-117.3174.500000113T58 C62 A63 P67T58-G60 VanDerWaalsContact C-N 3.28Å; T58-G60 PolarHBondContact OG1-N 2.91Å; G60-C62 PolarHBondContact O-N 2.8Å; G60-A63 CarbonylContact O-C 3.57Å; G60-A63 PolarHBondContact O-N 3.26Å; G60-P67 VanDerWaalsContact CA-O 3.3Å; G60-P67 WeakPolarHBondContact CA-O 3.49Å
61L80.9Confident92.8Very high79 Ų7953.9 Ų53.941%0.41426%0.263SS..G310 helixtrans-45.4-23.1175.7-71.7177.2000116.6E35 R59E35-L61 HydrophobicContact CB-CD1 3.84Å; E35-L61 HydrophobicContact CG-CD1 3.95Å; R59-L61 PolarHBondContact O-N 2.84Å; R59-L61 VanDerWaalsContact O-N 3.16Å
62C80.9Confident92.8Very high72 Ų7258.1 Ų58.149%0.48628%0.279SS..G310 helixtrans-93.5-0179.9-61.10000113.9H32 R59 G60H32-C62 VanDerWaalsContact CD2-SG 3.51Å; H32-C62 VanDerWaalsContact CG-SG 3.55Å; R59-C62 HydrophobicContact CB-CB 4.28Å; R59-C62 PolarHBondContact O-N 3.17Å; G60-C62 PolarHBondContact O-N 2.8Å
63A85.1Confident92.8Very high9 Ų957.9 Ų57.97%0.07428%0.278CS..  trans-143.7114-177.500000111.3R59 G60 D65 E66R59-A63 HydrophobicContact CB-CB 3.86Å; G60-A63 CarbonylContact O-C 3.57Å; G60-A63 PolarHBondContact O-N 3.26Å; A63-D65 PolarHBondContact O-N 3.29Å; A63-E66 HydrophobicContact CB-CB 4.08Å; A63-E66 HydrophobicContact CB-CG 4.15Å; A63-E66 PolarHBondContact O-N 2.86Å
64D81.7Confident92.8Very high151 Ų15156.2 Ų56.281%0.80727%0.274SS*.THydrogen-bonded Turntrans-64.4-11.5-179.4-61.9-27.3000113.7R91 K94D64-R91 PolarHBondContact O-NH1 3.11Å; D64-K94 PolarHBondContact O-NZ 2.78Å
65D88.8Confident92.7Very high92 Ų9260.1 Ų60.149%0.49230%0.296SS..THydrogen-bonded Turntrans-107.8-8.8-177.467-35.5000115.8A63 K94A63-D65 PolarHBondContact O-N 3.29Å; D65-K94 VanDerWaalsContact CA-NZ 3.34Å
66E93.3Very high92.5Very high28 Ų2866.3 Ų66.313%0.13133%0.328CS..SBendtrans-108.7144.5179.7-65.2176.9-17300111.4T58 R59 A63 R91T58-E66 WeakPolarHBondContact CB-OE2 3.33Å; T58-E66 WeakPolarHBondContact OG1-CB 3.38Å; T58-E66 PolarHBondContact OG1-OE2 3.46Å; R59-E66 VanDerWaalsContact CB-OE2 3.31Å; R59-E66 WeakPolarHBondContact CB-OE2 3.42Å; R59-E66 IonicContact CZ-OE1 2.62Å; R59-E66 PolarHBondContact N-OE2 2.94Å; R59-E66 IonicContact NE-OE1 3.8Å; R59-E66 PolarHBondContact NE-OE1 3.24Å; R59-E66 VanDerWaalsContact NE-OE1 3.14Å; R59-E66 IonicContact NE-OE2 3.29Å; R59-E66 PolarHBondContact NE-OE2 3.47Å; R59-E66 IonicContact NH2-OE1 2.67Å; R59-E66 PolarHBondContact NH2-OE1 3.47Å; A63-E66 HydrophobicContact CB-CB 4.08Å; A63-E66 HydrophobicContact CB-CG 4.15Å; A63-E66 PolarHBondContact O-N 2.86Å; E66-R91 PolarHBondContact O-NH2 3.24Å
67P96.9Very high92.5Very high0 Ų062.7 Ų62.70%032%0.32CS..  trans-65.8-178.3168.519-22.8000111.6T58 G60 A69 W70 W81 I82T58-P67 HydrophobicContact CG2-CG 4.3Å; T58-P67 PolarHBondContact OG1-O 3.14Å; G60-P67 VanDerWaalsContact CA-O 3.3Å; G60-P67 WeakPolarHBondContact CA-O 3.49Å; P67-A69 VanDerWaalsContact CB-O 3.31Å; P67-A69 WeakPolarHBondContact CB-O 3.48Å; P67-A69 WeakPolarHBondContact CG-O 3.15Å; P67-W70 HydrophobicContact CG-CB 3.69Å; P67-W70 HydrophobicContact CG-CD2 4.04Å; P67-W70 HydrophobicContact CG-CE3 3.86Å; P67-W70 HydrophobicContact CG-CG 4Å; P67-W81 HydrophobicContact CB-CD2 3.73Å; P67-W81 VanDerWaalsContact CB-CE2 3.45Å; P67-W81 HydrophobicContact CB-CE3 4.45Å; P67-W81 HydrophobicContact CB-CG 3.87Å; P67-W81 HydrophobicContact CB-CZ2 3.92Å; P67-W81 HydrophobicContact CG-CD2 3.88Å; P67-W81 HydrophobicContact CG-CE3 4.12Å; P67-W81 HydrophobicContact CG-CG 4.31Å; P67-W81 HydrophobicContact CG-CH2 4.38Å; P67-W81 HydrophobicContact CG-CZ2 4.17Å; P67-W81 HydrophobicContact CG-CZ3 4.36Å; P67-I82 VanDerWaalsContact CB-O 3.29Å; P67-I82 WeakPolarHBondContact CB-O 3.36Å
68E96.6Very high92.5Very high3 Ų362 Ų621%0.01432%0.318CS..SBendtrans-72.8-36.6165.3-67-64.7170.800112.2R39 R43 T58 I82 L84R39-E68 IonicContact CZ-OE1 2.69Å; R39-E68 IonicContact NE-OE1 3.52Å; R39-E68 IonicContact NH2-OE1 2.67Å; R39-E68 PolarHBondContact NH2-OE1 3.06Å; R43-E68 WeakPolarHBondContact CD-OE2 3.41Å; R43-E68 HydrophobicContact CG-CB 3.87Å; R43-E68 IonicContact CZ-OE2 3.45Å; R43-E68 IonicContact NE-OE2 3.56Å; R43-E68 IonicContact NH1-OE2 3.28Å; T58-E68 PolarHBondContact N-O 2.88Å; E68-I82 WeakPolarHBondContact CB-O 3.31Å; E68-I82 PolarHBondContact N-O 2.98Å; E68-L84 HydrophobicContact CB-CD1 4.1Å; E68-L84 HydrophobicContact CG-CB 4.08Å; E68-L84 HydrophobicContact CG-CD1 4.06Å; E68-L84 HydrophobicContact CG-CG 4.49Å
69A97.9Very high92.7Very high1 Ų163.7 Ų63.71%0.00833%0.325CS..EExtended strand (participates in β ladder)trans-150.8155170.200000110.8L55 Q56 F57 P67 I82L55-A69 HydrophobicContact CD1-CB 4.07Å; Q56-A69 CarbonylContact O-C 3.57Å; Q56-A69 WeakPolarHBondContact O-CA 3.39Å; Q56-A69 WeakPolarHBondContact O-CB 3.34Å; F57-A69 HydrophobicContact CD1-CB 3.96Å; F57-A69 HydrophobicContact CE1-CB 4.41Å; P67-A69 VanDerWaalsContact CB-O 3.31Å; P67-A69 WeakPolarHBondContact CB-O 3.48Å; P67-A69 WeakPolarHBondContact CG-O 3.15Å; A69-I82 HydrophobicContact CB-CB 4.19Å; A69-I82 HydrophobicContact CB-CD1 4.31Å; A69-I82 PolarHBondContact N-O 2.84Å; A69-I82 PolarHBondContact O-N 3.38Å
70W98Very high93.2Very high43 Ų4357.1 Ų57.116%0.16330%0.301CS..EExtended strand (participates in β ladder)trans-142.6150.8175.255.78.5000113.9L55 Q56 T58 P67 R72 I78 L80L55-W70 VanDerWaalsContact CD1-C 3.46Å; Q56-W70 PolarHBondContact N-O 2.88Å; Q56-W70 PolarHBondContact O-N 3.16Å; T58-W70 HydrophobicContact CG2-CD2 4.02Å; T58-W70 HydrophobicContact CG2-CG 3.97Å; T58-W70 HydrophobicContact CG2-CZ2 4.36Å; P67-W70 HydrophobicContact CG-CB 3.69Å; P67-W70 HydrophobicContact CG-CD2 4.04Å; P67-W70 HydrophobicContact CG-CE3 3.86Å; P67-W70 HydrophobicContact CG-CG 4Å; W70-R72 HydrophobicContact CD2-CG 4.34Å; W70-R72 HydrophobicContact CG-CG 4.45Å; W70-I78 HydrophobicContact CB-CG2 4.22Å; W70-I78 HydrophobicContact CE3-CD1 3.73Å; W70-I78 HydrophobicContact CE3-CG1 4.05Å; W70-I78 HydrophobicContact CZ3-CD1 3.97Å; W70-I78 HydrophobicContact CZ3-CG1 4.47Å; W70-L80 CarbonylContact C-O 3.59Å; W70-L80 WeakPolarHBondContact CA-O 3.49Å; W70-L80 WeakPolarHBondContact CB-O 3.43Å
71L98.4Very high93.8Very high26 Ų2657 Ų5714%0.13630%0.299CS..EExtended strand (participates in β ladder)trans-104.5127.2165.1-172.770.9000107.7D52 R54 L55 I78 D79 L80D52-L71 HydrophobicContact CB-CD1 3.96Å; D52-L71 VanDerWaalsContact OD1-CD1 3.27Å; D52-L71 WeakPolarHBondContact OD1-CD1 3.27Å; R54-L71 HydrophobicContact CB-CD1 3.5Å; L55-L71 HydrophobicContact CB-CD1 4.39Å; L55-L71 HydrophobicContact CD1-CB 4.36Å; L71-I78 CarbonylContact O-C 3.5Å; L71-D79 HydrophobicContact CB-CB 4.47Å; L71-D79 HydrophobicContact CD2-CB 4.09Å; L71-D79 HydrophobicContact CG-CB 4.33Å; L71-D79 PolarHBondContact O-N 2.98Å; L71-L80 HydrophobicContact CB-CB 3.72Å; L71-L80 PolarHBondContact N-O 3.3Å; L71-L80 PolarHBondContact O-N 2.9Å
72R97.9Very high94.6Very high88 Ų8853.3 Ų53.333%0.33228%0.28SS..EExtended strand (participates in β ladder)trans-115.7138.6176.4-71.4-176.3-72.2-179.7-3.5111.1R54 W70 G77 I78R54-R72 PolarHBondContact NE-O 2.86Å; R54-R72 VanDerWaalsContact NE-O 3.09Å; R54-R72 PolarHBondContact NH2-O 2.91Å; W70-R72 HydrophobicContact CD2-CG 4.34Å; W70-R72 HydrophobicContact CG-CG 4.45Å; R72-G77 CarbonylContact C-O 3.54Å; R72-G77 WeakPolarHBondContact CA-O 3.4Å; R72-G77 WeakPolarHBondContact CB-O 3.41Å; R72-I78 HydrophobicContact CG-CG1 4.31Å
73N97.2Very high95.4Very high39 Ų3950.7 Ų50.721%0.20926%0.261CS..  trans-79.8176.7175.361.350.9000112.8R54 H75 L76 G77 D79R54-N73 PolarHBondContact NH2-O 2.84Å; N73-H75 PolarHBondContact O-N 3.47Å; N73-H75 WeakPolarHBondContact OD1-CA 3.41Å; N73-H75 WeakPolarHBondContact OD1-CB 3.39Å; N73-H75 PolarHBondContact OD1-N 2.87Å; N73-L76 PolarHBondContact O-N 3.24Å; N73-L76 PolarHBondContact OD1-N 2.84Å; N73-G77 PolarHBondContact N-O 2.81Å; N73-G77 PolarHBondContact OD1-N 3.19Å; N73-D79 WeakPolarHBondContact CB-OD1 3.5Å; N73-D79 WeakPolarHBondContact CB-OD2 3.38Å; N73-D79 PolarHBondContact ND2-OD1 2.81Å
74D96.5Very high96Very high130 Ų13050.5 Ų50.570%0.69526%0.259SS*.THydrogen-bonded Turntrans-65.9-16.7-177.2-62.7-15.3000113.5R54R54-D74 IonicContact CZ-OD1 3.69Å; R54-D74 IonicContact NH1-OD1 3.9Å; R54-D74 PolarHBondContact NH1-OD1 3.36Å; R54-D74 IonicContact NH2-OD1 3.21Å; R54-D74 PolarHBondContact NH2-OD1 3.17Å
75H96.1Very high96.7Very high173 Ų17343.6 Ų43.680%0.80122%0.223SC*.THydrogen-bonded Turntrans-96.812.9176.1-53.189.8000112.4N73 G77N73-H75 PolarHBondContact O-N 3.47Å; N73-H75 WeakPolarHBondContact OD1-CA 3.41Å; N73-H75 WeakPolarHBondContact OD1-CB 3.39Å; N73-H75 PolarHBondContact OD1-N 2.87Å; H75-G77 PolarHBondContact O-N 3.23Å
76L93.2Very high97.1Very high138 Ų13842.2 Ų42.272%0.72322%0.215SC*.SBendtrans64.611.5-177.5-52.4173000114.8N73N73-L76 PolarHBondContact O-N 3.24Å; N73-L76 PolarHBondContact OD1-N 2.84Å
77G97Very high97.3Very high29 Ų2941.6 Ų41.630%0.29921%0.214SC..  trans-72.4157.2168.700000111.4R72 N73 H75R72-G77 CarbonylContact C-O 3.54Å; R72-G77 WeakPolarHBondContact CA-O 3.4Å; R72-G77 WeakPolarHBondContact CB-O 3.41Å; N73-G77 PolarHBondContact N-O 2.81Å; N73-G77 PolarHBondContact OD1-N 3.19Å; H75-G77 PolarHBondContact O-N 3.23Å
78I98.1Very high97.2Very high25 Ų2546.4 Ų46.413%0.12824%0.239CC..EExtended strand (participates in β ladder)trans-93.2112.3178.2-55.5170.3000108.2W70 L71 R72 L80 W81 A99 A100W70-I78 HydrophobicContact CB-CG2 4.22Å; W70-I78 HydrophobicContact CE3-CD1 3.73Å; W70-I78 HydrophobicContact CE3-CG1 4.05Å; W70-I78 HydrophobicContact CZ3-CD1 3.97Å; W70-I78 HydrophobicContact CZ3-CG1 4.47Å; L71-I78 CarbonylContact O-C 3.5Å; R72-I78 HydrophobicContact CG-CG1 4.31Å; I78-L80 WeakPolarHBondContact CG2-O 3.31Å; I78-W81 HydrophobicContact CD1-CE3 3.77Å; I78-W81 HydrophobicContact CD1-CZ3 3.73Å; I78-W81 HydrophobicContact CG2-CB 4.35Å; I78-W81 HydrophobicContact CG2-CE3 4.39Å; I78-A99 HydrophobicContact CB-CB 4.03Å; I78-A99 HydrophobicContact CG2-CB 3.64Å; I78-A99 CarbonylContact O-C 3.58Å; I78-A99 VanDerWaalsContact O-CA 3.23Å; I78-A99 WeakPolarHBondContact O-CA 3.34Å; I78-A100 PolarHBondContact O-N 2.88Å
79D98.4Very high97Very high60 Ų6050.8 Ų50.832%0.32126%0.26SS..EExtended strand (participates in β ladder)trans-80.3-42.4175.7-73.2-5.5000110.5L71 N73 A100 E101L71-D79 HydrophobicContact CB-CB 4.47Å; L71-D79 HydrophobicContact CD2-CB 4.09Å; L71-D79 HydrophobicContact CG-CB 4.33Å; L71-D79 PolarHBondContact O-N 2.98Å; N73-D79 WeakPolarHBondContact CB-OD1 3.5Å; N73-D79 WeakPolarHBondContact CB-OD2 3.38Å; N73-D79 PolarHBondContact ND2-OD1 2.81Å; D79-A100 WeakPolarHBondContact O-CB 3.39Å; D79-E101 PolarHBondContact O-N 2.91Å
80L98.6Very high96.9Very high9 Ų960.8 Ų60.85%0.04730%0.297CS..EExtended strand (participates in β ladder)trans-131131.5178.6-179.266.5000110.9Y50 L55 W70 L71 I78 I82 E101 A103Y50-L80 HydrophobicContact CD1-CD1 4.17Å; Y50-L80 HydrophobicContact CD1-CD2 3.5Å; Y50-L80 VanDerWaalsContact CD1-CD2 3.5Å; Y50-L80 HydrophobicContact CD1-CG 4.5Å; Y50-L80 HydrophobicContact CE1-CD1 4.1Å; Y50-L80 HydrophobicContact CE1-CD2 4.26Å; Y50-L80 HydrophobicContact CG-CD2 3.63Å; L55-L80 HydrophobicContact CD1-CD2 4.41Å; W70-L80 CarbonylContact C-O 3.59Å; W70-L80 WeakPolarHBondContact CA-O 3.49Å; W70-L80 WeakPolarHBondContact CB-O 3.43Å; L71-L80 HydrophobicContact CB-CB 3.72Å; L71-L80 PolarHBondContact N-O 3.3Å; L71-L80 PolarHBondContact O-N 2.9Å; I78-L80 WeakPolarHBondContact CG2-O 3.31Å; L80-I82 HydrophobicContact CD2-CD1 4.03Å; L80-I82 HydrophobicContact CD2-CG1 3.98Å; L80-I82 HydrophobicContact CG-CG1 4.05Å; L80-E101 CarbonylContact C-O 3.55Å; L80-E101 WeakPolarHBondContact CA-O 3.23Å; L80-E101 HydrophobicContact CD1-CB 3.96Å; L80-E101 HydrophobicContact CD1-CG 3.89Å; L80-A103 HydrophobicContact CD1-CB 4.21Å
81W98.4Very high96.8Very high2 Ų260.6 Ų60.61%0.00830%0.296CS..EExtended strand (participates in β ladder)trans-114115.9171.3-175.6-65000110.2P67 I78 E83 A95 Q98 A99 E101 V102 A103P67-W81 HydrophobicContact CB-CD2 3.73Å; P67-W81 VanDerWaalsContact CB-CE2 3.45Å; P67-W81 HydrophobicContact CB-CE3 4.45Å; P67-W81 HydrophobicContact CB-CG 3.87Å; P67-W81 HydrophobicContact CB-CZ2 3.92Å; P67-W81 HydrophobicContact CG-CD2 3.88Å; P67-W81 HydrophobicContact CG-CE3 4.12Å; P67-W81 HydrophobicContact CG-CG 4.31Å; P67-W81 HydrophobicContact CG-CH2 4.38Å; P67-W81 HydrophobicContact CG-CZ2 4.17Å; P67-W81 HydrophobicContact CG-CZ3 4.36Å; I78-W81 HydrophobicContact CD1-CE3 3.77Å; I78-W81 HydrophobicContact CD1-CZ3 3.73Å; I78-W81 HydrophobicContact CG2-CB 4.35Å; I78-W81 HydrophobicContact CG2-CE3 4.39Å; W81-E83 PolarHBondContact NE1-OE2 2.99Å; W81-A95 HydrophobicContact CD2-CB 3.9Å; W81-A95 HydrophobicContact CG-CB 3.87Å; W81-A95 HydrophobicContact CZ2-CB 4.47Å; W81-Q98 HydrophobicContact CZ3-CB 4.35Å; W81-A99 HydrophobicContact CB-CB 3.61Å; W81-E101 PolarHBondContact N-O 3.42Å; W81-V102 HydrophobicContact CB-CG2 4.21Å; W81-V102 CarbonylContact O-C 3.57Å; W81-V102 WeakPolarHBondContact O-CA 3.37Å; W81-A103 PolarHBondContact O-N 2.85Å
82I98.6Very high96.7Very high1 Ų159.8 Ų59.81%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-99.4122.9175.9-59.3-174.6000109.7A46 Y50 L55 P67 E68 A69 L80 L84 A103 F105A46-I82 HydrophobicContact CB-CG2 3.82Å; Y50-I82 HydrophobicContact CD2-CD1 4.24Å; Y50-I82 HydrophobicContact CG-CD1 4.4Å; L55-I82 HydrophobicContact CD1-CD1 4.06Å; L55-I82 HydrophobicContact CD2-CD1 3.97Å; P67-I82 VanDerWaalsContact CB-O 3.29Å; P67-I82 WeakPolarHBondContact CB-O 3.36Å; E68-I82 WeakPolarHBondContact CB-O 3.31Å; E68-I82 PolarHBondContact N-O 2.98Å; A69-I82 HydrophobicContact CB-CB 4.19Å; A69-I82 HydrophobicContact CB-CD1 4.31Å; A69-I82 PolarHBondContact N-O 2.84Å; A69-I82 PolarHBondContact O-N 3.38Å; L80-I82 HydrophobicContact CD2-CD1 4.03Å; L80-I82 HydrophobicContact CD2-CG1 3.98Å; L80-I82 HydrophobicContact CG-CG1 4.05Å; I82-L84 HydrophobicContact CG2-CD1 3.85Å; I82-A103 WeakPolarHBondContact CA-O 3.36Å; I82-A103 HydrophobicContact CG1-CB 4.47Å; I82-F105 HydrophobicContact CG2-CD2 4.08Å; I82-F105 HydrophobicContact CG2-CE2 4.12Å
83E97.7Very high96.6Very high17 Ų1761.4 Ų61.48%0.07930%0.302CS..EExtended strand (participates in β ladder)trans-120.2145.5178.2-165.772-160.800109.9W81 P87 R91 A103 L104 F105W81-E83 PolarHBondContact NE1-OE2 2.99Å; E83-P87 HydrophobicContact CG-CG 4.28Å; E83-R91 IonicContact OE1-CZ 2.71Å; E83-R91 IonicContact OE1-NE 3.14Å; E83-R91 PolarHBondContact OE1-NE 3.05Å; E83-R91 IonicContact OE1-NH2 2.69Å; E83-R91 PolarHBondContact OE1-NH2 2.77Å; E83-R91 VanDerWaalsContact OE1-NH2 3.11Å; E83-R91 IonicContact OE2-CZ 3.12Å; E83-R91 IonicContact OE2-NE 3.33Å; E83-R91 PolarHBondContact OE2-NE 2.77Å; E83-R91 IonicContact OE2-NH2 2.71Å; E83-R91 PolarHBondContact OE2-NH2 3.28Å; E83-A103 PolarHBondContact N-O 2.86Å; E83-L104 HydrophobicContact CB-CD1 3.92Å; E83-L104 HydrophobicContact CG-CD1 3.96Å; E83-L104 CarbonylContact O-C 3.55Å; E83-L104 WeakPolarHBondContact O-CA 3.42Å; E83-F105 PolarHBondContact O-N 2.86Å
84L97.4Very high96.6Very high6 Ų662.7 Ų62.73%0.03131%0.305CS..EExtended strand (participates in β ladder)trans-123.8145.6175.6-86.363.8000112R39 L42 R43 A46 E68 I82 F105R39-L84 HydrophobicContact CG-CD2 4.08Å; R39-L84 PolarHBondContact NH1-O 3.19Å; R39-L84 VanDerWaalsContact NH1-O 3.07Å; R39-L84 PolarHBondContact NH2-O 3.45Å; L42-L84 HydrophobicContact CB-CD2 4Å; L42-L84 HydrophobicContact CD2-CD2 4.06Å; L42-L84 HydrophobicContact CD2-CG 4.18Å; L42-L84 HydrophobicContact CG-CD2 3.9Å; L42-L84 HydrophobicContact CG-CG 4.23Å; R43-L84 HydrophobicContact CB-CD2 3.91Å; R43-L84 HydrophobicContact CG-CD1 4.3Å; R43-L84 HydrophobicContact CG-CD2 4.05Å; A46-L84 HydrophobicContact CB-CD1 4.3Å; E68-L84 HydrophobicContact CB-CD1 4.1Å; E68-L84 HydrophobicContact CG-CB 4.08Å; E68-L84 HydrophobicContact CG-CD1 4.06Å; E68-L84 HydrophobicContact CG-CG 4.49Å; I82-L84 HydrophobicContact CG2-CD1 3.85Å; L84-F105 CarbonylContact C-O 3.54Å; L84-F105 WeakPolarHBondContact CA-O 3.34Å; L84-F105 HydrophobicContact CD1-CB 4.11Å; L84-F105 HydrophobicContact CD1-CD2 4.42Å; L84-F105 HydrophobicContact CG-CB 4.03Å
85G96.7Very high96.6Very high6 Ų656.6 Ų56.66%0.06227%0.273CS..SBendtrans99.8-144.217300000112.6P87 F105G85-P87 VanDerWaalsContact C-CD 3.44Å; G85-P87 WeakPolarHBondContact O-CD 3.3Å; G85-F105 PolarHBondContact N-O 2.83Å
86L97Very high96.7Very high63 Ų6348.8 Ų48.833%0.3324%0.238SC..  trans-122.867.3-172.5-52.2179.6000109.9T106 A111 V112 W115L86-T106 HydrophobicContact CD2-CG2 4.39Å; L86-A111 HydrophobicContact CD1-CB 3.52Å; L86-V112 HydrophobicContact CD2-CB 3.84Å; L86-V112 HydrophobicContact CD2-CG2 3.58Å; L86-W115 HydrophobicContact CB-CB 4.48Å; L86-W115 HydrophobicContact CB-CD2 4.4Å; L86-W115 HydrophobicContact CB-CG 3.98Å; L86-W115 HydrophobicContact CD1-CB 4.27Å; L86-W115 HydrophobicContact CD2-CB 4.23Å; L86-W115 HydrophobicContact CD2-CD2 4.13Å; L86-W115 HydrophobicContact CD2-CE3 4.24Å; L86-W115 HydrophobicContact CD2-CG 4.12Å; L86-W115 HydrophobicContact CG-CG 4.46Å
87P96.1Very high96.9Very high15 Ų1547 Ų4710%0.09723%0.233CC..  trans-63153.9-176.127.5-35.5000111.6E83 G85 R91 I92 L104 W115E83-P87 HydrophobicContact CG-CG 4.28Å; G85-P87 VanDerWaalsContact C-CD 3.44Å; G85-P87 WeakPolarHBondContact O-CD 3.3Å; P87-R91 HydrophobicContact CB-CB 3.94Å; P87-R91 HydrophobicContact CB-CG 3.73Å; P87-I92 HydrophobicContact CB-CG1 4.08Å; P87-I92 HydrophobicContact CG-CD1 4.2Å; P87-I92 HydrophobicContact CG-CG1 3.66Å; P87-L104 HydrophobicContact CG-CD1 3.79Å; P87-L104 HydrophobicContact CG-CD2 3.9Å; P87-W115 HydrophobicContact CG-CZ2 4.45Å; P87-W115 PolarHBondContact O-NE1 3.07Å
88D95Very high96.9Very high101 Ų10150.1 Ų50.154%0.5424%0.24SC..  trans-73.8167.4170.771.713000111.6R90 R91 I92D88-R90 PolarHBondContact O-N 2.52Å; D88-R90 PolarHBondContact OD1-N 2.86Å; D88-R91 PolarHBondContact O-N 2.74Å; D88-R91 VanDerWaalsContact OD1-CB 3.31Å; D88-R91 WeakPolarHBondContact OD1-CB 3.31Å; D88-R91 PolarHBondContact OD1-N 2.86Å; D88-I92 WeakPolarHBondContact O-CG1 3.37Å; D88-I92 PolarHBondContact O-N 2.94Å
89E93.6Very high96.9Very high94 Ų9449.4 Ų49.444%0.43924%0.237SC..Hα-helixtrans-56.6-35.7-179.9-176.1-178.616300112.5K93 K122E89-K93 VanDerWaalsContact O-CB 3.27Å; E89-K93 WeakPolarHBondContact O-CB 3.4Å; E89-K93 PolarHBondContact O-N 3.07Å; E89-K122 HydrophobicContact CG-CD 4.29Å; E89-K122 WeakPolarHBondContact OE2-CD 3.38Å; E89-K122 WeakPolarHBondContact OE2-CE 3.39Å; E89-K122 IonicContact OE2-NZ 3.92Å; E89-K122 PolarHBondContact OE2-NZ 2.96Å
90R94.9Very high96.9Very high211 Ų21149.8 Ų49.880%0.79625%0.249SC*.Hα-helixtrans-67.6-42.3-178.6-174.4-179.6178.7-172.5-1111.1D88 K94D88-R90 PolarHBondContact O-N 2.52Å; D88-R90 PolarHBondContact OD1-N 2.86Å; R90-K94 WeakPolarHBondContact O-CB 3.39Å; R90-K94 PolarHBondContact O-N 3.2Å
91R95.9Very high96.9Very high39 Ų3952.6 Ų52.615%0.14726%0.262CS..Hα-helixtrans-66.9-43.8177.2178.364.5175.8-172.96111.3D64 E66 E83 P87 D88 K94 A95D64-R91 PolarHBondContact O-NH1 3.11Å; E66-R91 PolarHBondContact O-NH2 3.24Å; E83-R91 IonicContact OE1-CZ 2.71Å; E83-R91 IonicContact OE1-NE 3.14Å; E83-R91 PolarHBondContact OE1-NE 3.05Å; E83-R91 IonicContact OE1-NH2 2.69Å; E83-R91 PolarHBondContact OE1-NH2 2.77Å; E83-R91 VanDerWaalsContact OE1-NH2 3.11Å; E83-R91 IonicContact OE2-CZ 3.12Å; E83-R91 IonicContact OE2-NE 3.33Å; E83-R91 PolarHBondContact OE2-NE 2.77Å; E83-R91 IonicContact OE2-NH2 2.71Å; E83-R91 PolarHBondContact OE2-NH2 3.28Å; P87-R91 HydrophobicContact CB-CB 3.94Å; P87-R91 HydrophobicContact CB-CG 3.73Å; D88-R91 PolarHBondContact O-N 2.74Å; D88-R91 VanDerWaalsContact OD1-CB 3.31Å; D88-R91 WeakPolarHBondContact OD1-CB 3.31Å; D88-R91 PolarHBondContact OD1-N 2.86Å; R91-K94 WeakPolarHBondContact O-CB 3.35Å; R91-K94 PolarHBondContact O-N 3.2Å; R91-A95 PolarHBondContact O-N 3.19Å
92I96.8Very high96.9Very high9 Ų952.6 Ų52.65%0.04626%0.262CS..Hα-helixtrans-60-50.4175.8-61.9164.6000110.3P87 D88 K94 A95 C96 W115 F126 L129P87-I92 HydrophobicContact CB-CG1 4.08Å; P87-I92 HydrophobicContact CG-CD1 4.2Å; P87-I92 HydrophobicContact CG-CG1 3.66Å; D88-I92 WeakPolarHBondContact O-CG1 3.37Å; D88-I92 PolarHBondContact O-N 2.94Å; I92-K94 VanDerWaalsContact C-N 3.3Å; I92-K94 PolarHBondContact O-N 2.73Å; I92-A95 PolarHBondContact O-N 3.36Å; I92-C96 PolarHBondContact O-N 2.94Å; I92-C96 PolarHBondContact O-SG 2.94Å; I92-W115 HydrophobicContact CD1-CH2 4.41Å; I92-W115 HydrophobicContact CD1-CZ2 3.71Å; I92-F126 HydrophobicContact CG2-CD2 3.92Å; I92-F126 HydrophobicContact CG2-CE2 3.88Å; I92-L129 HydrophobicContact CG2-CD2 3.85Å
93K96.6Very high96.9Very high123 Ų12352.6 Ų52.654%0.53526%0.262SS..Hα-helixtrans-57.4-44.9178.3-177.6174-178.2173.70111.4E89 C96 T97 F126E89-K93 VanDerWaalsContact O-CB 3.27Å; E89-K93 WeakPolarHBondContact O-CB 3.4Å; E89-K93 PolarHBondContact O-N 3.07Å; K93-C96 PolarHBondContact O-N 2.94Å; K93-T97 HydrophobicContact CG-CG2 4.26Å; K93-T97 WeakPolarHBondContact O-CB 3.33Å; K93-T97 WeakPolarHBondContact O-CG2 3.32Å; K93-T97 PolarHBondContact O-N 3.29Å; K93-T97 PolarHBondContact O-OG1 2.86Å; K93-F126 HydrophobicContact CB-CE1 4.2Å; K93-F126 HydrophobicContact CB-CZ 3.8Å; K93-F126 HydrophobicContact CG-CE1 4.11Å; K93-F126 HydrophobicContact CG-CZ 4.08Å
94K96.4Very high96.9Very high65 Ų6551.9 Ų51.928%0.28326%0.259SS..Hα-helixtrans-55.9-54177177.5179.9174.81790110.7D64 D65 R90 R91 I92 C96 T97 Q98D64-K94 PolarHBondContact O-NZ 2.78Å; D65-K94 VanDerWaalsContact CA-NZ 3.34Å; R90-K94 WeakPolarHBondContact O-CB 3.39Å; R90-K94 PolarHBondContact O-N 3.2Å; R91-K94 WeakPolarHBondContact O-CB 3.35Å; R91-K94 PolarHBondContact O-N 3.2Å; I92-K94 VanDerWaalsContact C-N 3.3Å; I92-K94 PolarHBondContact O-N 2.73Å; K94-C96 PolarHBondContact O-N 3.07Å; K94-T97 PolarHBondContact O-N 2.97Å; K94-T97 PolarHBondContact O-OG1 2.9Å; K94-Q98 VanDerWaalsContact CE-OE1 3.29Å; K94-Q98 WeakPolarHBondContact O-CB 3.41Å; K94-Q98 WeakPolarHBondContact O-CG 3.43Å; K94-Q98 PolarHBondContact O-N 3.44Å; K94-Q98 VanDerWaalsContact O-N 3.13Å
95A97.5Very high97Very high2 Ų251.6 Ų51.62%0.01726%0.257CS..Hα-helixtrans-55.8-50.7178.900000111.6W81 R91 I92 T97 Q98 A99 V102W81-A95 HydrophobicContact CD2-CB 3.9Å; W81-A95 HydrophobicContact CG-CB 3.87Å; W81-A95 HydrophobicContact CZ2-CB 4.47Å; R91-A95 PolarHBondContact O-N 3.19Å; I92-A95 PolarHBondContact O-N 3.36Å; A95-T97 VanDerWaalsContact C-N 3.25Å; A95-T97 PolarHBondContact O-N 2.86Å; A95-Q98 PolarHBondContact O-N 2.82Å; A95-A99 PolarHBondContact O-N 2.75Å; A95-V102 HydrophobicContact CB-CG1 3.98Å; A95-V102 HydrophobicContact CB-CG2 3.99Å
96C97.5Very high97.1Very high10 Ų1051.3 Ų51.37%0.06825%0.254CS..Hα-helixtrans-66-26.8-176.2-59.20000113.2I92 K93 K94 V102 F126 N128I92-C96 PolarHBondContact O-N 2.94Å; I92-C96 PolarHBondContact O-SG 2.94Å; K93-C96 PolarHBondContact O-N 2.94Å; K94-C96 PolarHBondContact O-N 3.07Å; C96-V102 HydrophobicContact CB-CG2 4.27Å; C96-F126 HydrophobicContact CB-CB 4.11Å; C96-F126 HydrophobicContact CB-CD1 3.49Å; C96-F126 VanDerWaalsContact CB-CD1 3.49Å; C96-F126 HydrophobicContact CB-CE1 4.11Å; C96-F126 HydrophobicContact CB-CG 3.9Å; C96-N128 PolarHBondContact O-ND2 2.9Å
97T97.1Very high97.1Very high100 Ų10050.3 Ų50.361%0.61325%0.247SC*.Hα-helixtrans-84.2-18.1175.359.80000114.2K93 K94 A95K93-T97 HydrophobicContact CG-CG2 4.26Å; K93-T97 WeakPolarHBondContact O-CB 3.33Å; K93-T97 WeakPolarHBondContact O-CG2 3.32Å; K93-T97 PolarHBondContact O-N 3.29Å; K93-T97 PolarHBondContact O-OG1 2.86Å; K94-T97 PolarHBondContact O-N 2.97Å; K94-T97 PolarHBondContact O-OG1 2.9Å; A95-T97 VanDerWaalsContact C-N 3.25Å; A95-T97 PolarHBondContact O-N 2.86Å
98Q96.9Very high97.1Very high95 Ų9553.3 Ų53.344%0.44426%0.261SS..Hα-helixtrans-101.1-21.6-175.5-72.4-173-39.800113.5W81 K94 A95W81-Q98 HydrophobicContact CZ3-CB 4.35Å; K94-Q98 VanDerWaalsContact CE-OE1 3.29Å; K94-Q98 WeakPolarHBondContact O-CB 3.41Å; K94-Q98 WeakPolarHBondContact O-CG 3.43Å; K94-Q98 PolarHBondContact O-N 3.44Å; K94-Q98 VanDerWaalsContact O-N 3.13Å; A95-Q98 PolarHBondContact O-N 2.82Å
99A98Very high97.1Very high9 Ų950 Ų507%0.07425%0.246CC..EExtended strand (participates in β ladder)trans-120.1152.4-175.500000112.6I78 W81 A95 E101 V102 N128I78-A99 HydrophobicContact CB-CB 4.03Å; I78-A99 HydrophobicContact CG2-CB 3.64Å; I78-A99 CarbonylContact O-C 3.58Å; I78-A99 VanDerWaalsContact O-CA 3.23Å; I78-A99 WeakPolarHBondContact O-CA 3.34Å; W81-A99 HydrophobicContact CB-CB 3.61Å; A95-A99 PolarHBondContact O-N 2.75Å; A99-E101 WeakPolarHBondContact CB-O 3.4Å; A99-V102 HydrophobicContact CB-CG2 4.29Å; A99-N128 PolarHBondContact O-ND2 2.81Å
100A98Very high97.2Very high68 Ų6855.4 Ų55.456%0.56226%0.263SS*.EExtended strand (participates in β ladder)trans-66.6-44173.700000111.1I78 D79 N128I78-A100 PolarHBondContact O-N 2.88Å; D79-A100 WeakPolarHBondContact O-CB 3.39Å; A100-N128 WeakPolarHBondContact O-CB 3.47Å; A100-N128 PolarHBondContact O-ND2 3.19Å
101E98.5Very high97.3Very high68 Ų6847 Ų4732%0.31824%0.239SC..EExtended strand (participates in β ladder)trans-126.3144.2173.2-171.8-177.9161.100111.2Y50 D79 L80 W81 A99Y50-E101 WeakPolarHBondContact CE1-OE1 3.17Å; Y50-E101 PolarHBondContact OH-OE1 3.41Å; D79-E101 PolarHBondContact O-N 2.91Å; L80-E101 CarbonylContact C-O 3.55Å; L80-E101 WeakPolarHBondContact CA-O 3.23Å; L80-E101 HydrophobicContact CD1-CB 3.96Å; L80-E101 HydrophobicContact CD1-CG 3.89Å; W81-E101 PolarHBondContact N-O 3.42Å; A99-E101 WeakPolarHBondContact CB-O 3.4Å
102V98.6Very high97.3Very high3 Ų345.2 Ų45.22%0.01823%0.232CC..EExtended strand (participates in β ladder)trans-122.2129.1171.6-176.60000110.1W81 A95 C96 A99 N128 L129 S130W81-V102 HydrophobicContact CB-CG2 4.21Å; W81-V102 CarbonylContact O-C 3.57Å; W81-V102 WeakPolarHBondContact O-CA 3.37Å; A95-V102 HydrophobicContact CB-CG1 3.98Å; A95-V102 HydrophobicContact CB-CG2 3.99Å; C96-V102 HydrophobicContact CB-CG2 4.27Å; A99-V102 HydrophobicContact CB-CG2 4.29Å; V102-N128 PolarHBondContact N-O 3.46Å; V102-L129 HydrophobicContact CB-CD1 3.89Å; V102-L129 HydrophobicContact CG1-CD1 3.63Å; V102-S130 PolarHBondContact O-N 2.98Å
103A98.6Very high97.3Very high0 Ų048.9 Ų48.90%025%0.249CC..EExtended strand (participates in β ladder)trans-115.6110.8173.100000110.4Y50 L80 W81 I82 E83 F105Y50-A103 HydrophobicContact CD2-CB 4.27Å; Y50-A103 HydrophobicContact CE1-CB 4.37Å; Y50-A103 HydrophobicContact CE2-CB 3.46Å; Y50-A103 VanDerWaalsContact CE2-CB 3.46Å; Y50-A103 WeakPolarHBondContact OH-CB 3.47Å; L80-A103 HydrophobicContact CD1-CB 4.21Å; W81-A103 PolarHBondContact O-N 2.85Å; I82-A103 WeakPolarHBondContact CA-O 3.36Å; I82-A103 HydrophobicContact CG1-CB 4.47Å; E83-A103 PolarHBondContact N-O 2.86Å; A103-F105 HydrophobicContact CB-CE2 3.99Å
104L98.6Very high97.3Very high2 Ų247.1 Ų47.11%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-99.5120.9176.8173.859.3000110.7E83 P87 T106 W115 L129 S130 V131 W132E83-L104 HydrophobicContact CB-CD1 3.92Å; E83-L104 HydrophobicContact CG-CD1 3.96Å; E83-L104 CarbonylContact O-C 3.55Å; E83-L104 WeakPolarHBondContact O-CA 3.42Å; P87-L104 HydrophobicContact CG-CD1 3.79Å; P87-L104 HydrophobicContact CG-CD2 3.9Å; L104-T106 HydrophobicContact CD1-CG2 4.41Å; L104-T106 HydrophobicContact CD2-CG2 4.05Å; L104-T106 HydrophobicContact CG-CG2 3.83Å; L104-W115 HydrophobicContact CD2-CH2 3.5Å; L104-W115 VanDerWaalsContact CD2-CH2 3.5Å; L104-W115 HydrophobicContact CD2-CZ2 3.99Å; L104-W115 HydrophobicContact CD2-CZ3 4.38Å; L104-L129 HydrophobicContact CB-CD1 4.22Å; L104-S130 PolarHBondContact N-O 2.9Å; L104-V131 HydrophobicContact CB-CG2 4.47Å; L104-V131 HydrophobicContact CD2-CG1 4.43Å; L104-V131 HydrophobicContact CD2-CG2 4.42Å; L104-V131 WeakPolarHBondContact O-CA 3.46Å; L104-W132 PolarHBondContact O-N 3.37Å
105F98.6Very high97.4Very high1 Ų145 Ų450%0.00423%0.234CC..EExtended strand (participates in β ladder)trans-102.7110.1175.1-70.7-102.8000110.7L42 A46 K49 Y50 I82 E83 L84 G85 A103 W132 L174L42-F105 HydrophobicContact CD1-CB 4.42Å; L42-F105 HydrophobicContact CD1-CD1 4.31Å; L42-F105 HydrophobicContact CD2-CB 4.31Å; L42-F105 HydrophobicContact CG-CB 4.33Å; A46-F105 HydrophobicContact CB-CD1 4.11Å; A46-F105 HydrophobicContact CB-CD2 3.63Å; A46-F105 HydrophobicContact CB-CE1 3.89Å; A46-F105 HydrophobicContact CB-CE2 3.41Å; A46-F105 VanDerWaalsContact CB-CE2 3.41Å; A46-F105 HydrophobicContact CB-CG 3.97Å; A46-F105 HydrophobicContact CB-CZ 3.52Å; K49-F105 HydrophobicContact CB-CZ 4.33Å; K49-F105 HydrophobicContact CD-CE1 4.09Å; K49-F105 HydrophobicContact CD-CZ 3.89Å; Y50-F105 HydrophobicContact CD2-CE2 4.19Å; Y50-F105 HydrophobicContact CD2-CZ 4.02Å; Y50-F105 AromaticContact CE2-CE2 3.9Å; Y50-F105 HydrophobicContact CE2-CE2 3.9Å; Y50-F105 AromaticContact CE2-CZ 3.78Å; Y50-F105 HydrophobicContact CE2-CZ 3.78Å; I82-F105 HydrophobicContact CG2-CD2 4.08Å; I82-F105 HydrophobicContact CG2-CE2 4.12Å; E83-F105 PolarHBondContact O-N 2.86Å; L84-F105 CarbonylContact C-O 3.54Å; L84-F105 WeakPolarHBondContact CA-O 3.34Å; L84-F105 HydrophobicContact CD1-CB 4.11Å; L84-F105 HydrophobicContact CD1-CD2 4.42Å; L84-F105 HydrophobicContact CG-CB 4.03Å; G85-F105 PolarHBondContact N-O 2.83Å; A103-F105 HydrophobicContact CB-CE2 3.99Å; F105-W132 HydrophobicContact CD1-CB 3.95Å; F105-W132 HydrophobicContact CD1-CG 4.49Å; F105-W132 HydrophobicContact CE1-CB 4.14Å; F105-W132 HydrophobicContact CE1-CG 4.25Å; F105-W132 HydrophobicContact CG-CB 4.38Å; F105-W132 AromaticContact CZ-CD1 3.93Å; F105-W132 HydrophobicContact CZ-CG 4.42Å; F105-L174 HydrophobicContact CD1-CD2 4.28Å; F105-L174 HydrophobicContact CE1-CD1 3.85Å; F105-L174 HydrophobicContact CE1-CD2 4.35Å
106T98.4Very high97.4Very high0 Ų046 Ų460%024%0.238CC..EExtended strand (participates in β ladder)trans-99.8148.8-178.868.30000111.1L86 L104 V112 W115 V131 W132 Y133 L134L86-T106 HydrophobicContact CD2-CG2 4.39Å; L104-T106 HydrophobicContact CD1-CG2 4.41Å; L104-T106 HydrophobicContact CD2-CG2 4.05Å; L104-T106 HydrophobicContact CG-CG2 3.83Å; T106-V112 HydrophobicContact CG2-CG2 4.27Å; T106-W115 HydrophobicContact CG2-CH2 4.47Å; T106-W115 HydrophobicContact CG2-CZ3 4.01Å; T106-V131 HydrophobicContact CG2-CG1 3.89Å; T106-W132 PolarHBondContact N-O 3.38Å; T106-W132 PolarHBondContact OG1-O 3.26Å; T106-Y133 WeakPolarHBondContact O-CA 3.49Å; T106-Y133 WeakPolarHBondContact OG1-CA 3.29Å; T106-Y133 WeakPolarHBondContact OG1-CB 3.45Å; T106-L134 PolarHBondContact O-N 2.72Å; T106-L134 VanDerWaalsContact O-N 3.09Å
107Y98Very high97.3Very high42 Ų4252.7 Ų52.717%0.16527%0.268CS..  trans-155.5179.9-179.466.3-78.3000109.4R39 L42 L139R39-Y107 PolarHBondContact NH1-OH 3.46Å; R39-Y107 VanDerWaalsContact NH1-OH 3.16Å; L42-Y107 HydrophobicContact CD2-CD1 3.37Å; L42-Y107 HydrophobicContact CD2-CE1 4.01Å; L42-Y107 HydrophobicContact CD2-CG 3.86Å; Y107-L139 HydrophobicContact CD2-CD2 3.64Å; Y107-L139 HydrophobicContact CG-CD2 3.99Å
108N96.3Very high97.3Very high77 Ų7754 Ų5441%0.41227%0.267SS..  trans69.786.9-171.5-175.9-25000111.4R110 A111 V112 D136N108-R110 PolarHBondContact O-N 3.27Å; N108-R110 VanDerWaalsContact O-N 3.09Å; N108-A111 HydrophobicContact CB-CB 4.41Å; N108-A111 PolarHBondContact O-N 3.05Å; N108-A111 VanDerWaalsContact O-N 3.08Å; N108-A111 PolarHBondContact OD1-N 3.43Å; N108-V112 WeakPolarHBondContact O-CB 3.25Å; N108-V112 VanDerWaalsContact O-CG1 3.29Å; N108-V112 WeakPolarHBondContact O-CG1 3.37Å; N108-V112 PolarHBondContact O-N 2.89Å; N108-D136 VanDerWaalsContact CA-OD1 3.23Å; N108-D136 WeakPolarHBondContact CA-OD1 3.39Å; N108-D136 PolarHBondContact N-OD1 2.9Å
109S94.4Very high97.3Very high31 Ų3150.2 Ų50.222%0.21725%0.25CC..Hα-helixtrans-53.4-37.7-168.7-49.80000113.5V112 Q113 Y133 D136S109-V112 WeakPolarHBondContact O-CG1 3.38Å; S109-Q113 WeakPolarHBondContact O-CG 3.45Å; S109-Y133 WeakPolarHBondContact CB-OH 3.48Å; S109-Y133 PolarHBondContact OG-OH 3.43Å; S109-D136 WeakPolarHBondContact CB-OD2 3.45Å; S109-D136 PolarHBondContact N-OD1 3.35Å; S109-D136 PolarHBondContact N-OD2 2.76Å; S109-D136 PolarHBondContact OG-OD1 3.12Å; S109-D136 PolarHBondContact OG-OD2 3Å
110R95.1Very high97.2Very high209 Ų20954.7 Ų54.779%0.78927%0.269SS*.Hα-helixtrans-70.8-46.8-179.9-175.2177.4177.9-179.30112.2N108N108-R110 PolarHBondContact O-N 3.27Å; N108-R110 VanDerWaalsContact O-N 3.09Å
111A97.2Very high97Very high35 Ų3555.3 Ų55.329%0.28927%0.269SS..Hα-helixtrans-74.5-38.1-175.800000111.6L86 N108 Q113 I114 W115L86-A111 HydrophobicContact CD1-CB 3.52Å; N108-A111 HydrophobicContact CB-CB 4.41Å; N108-A111 PolarHBondContact O-N 3.05Å; N108-A111 VanDerWaalsContact O-N 3.08Å; N108-A111 PolarHBondContact OD1-N 3.43Å; A111-Q113 PolarHBondContact O-N 3.18Å; A111-I114 PolarHBondContact O-N 2.96Å; A111-W115 WeakPolarHBondContact O-CB 3.34Å; A111-W115 PolarHBondContact O-N 2.77Å
112V97Very high96.9Very high0 Ų055.6 Ų55.60%027%0.27CS..Hα-helixtrans-66.6-36.7-17674.30000112.7L86 T106 N108 S109 I114 W115 W116 Y133 W177L86-V112 HydrophobicContact CD2-CB 3.84Å; L86-V112 HydrophobicContact CD2-CG2 3.58Å; T106-V112 HydrophobicContact CG2-CG2 4.27Å; N108-V112 WeakPolarHBondContact O-CB 3.25Å; N108-V112 VanDerWaalsContact O-CG1 3.29Å; N108-V112 WeakPolarHBondContact O-CG1 3.37Å; N108-V112 PolarHBondContact O-N 2.89Å; S109-V112 WeakPolarHBondContact O-CG1 3.38Å; V112-I114 PolarHBondContact O-N 2.83Å; V112-W115 PolarHBondContact O-N 2.67Å; V112-W116 WeakPolarHBondContact O-CB 3.34Å; V112-W116 PolarHBondContact O-N 2.85Å; V112-Y133 HydrophobicContact CG1-CD2 4.01Å; V112-Y133 HydrophobicContact CG1-CE2 3.66Å; V112-Y133 HydrophobicContact CG2-CD2 4.4Å; V112-W177 HydrophobicContact CB-CH2 4.1Å; V112-W177 HydrophobicContact CG1-CH2 3.83Å; V112-W177 HydrophobicContact CG1-CZ2 4.5Å; V112-W177 HydrophobicContact CG2-CH2 3.29Å; V112-W177 HydrophobicContact CG2-CZ2 4.44Å; V112-W177 HydrophobicContact CG2-CZ3 3.36Å
113Q96.3Very high96.7Very high86 Ų8655.5 Ų55.540%0.40227%0.269SS..Hα-helixtrans-64-42.1178.6-67.2-64.9-29.700111.6S109 A111 W116 Q117S109-Q113 WeakPolarHBondContact O-CG 3.45Å; A111-Q113 PolarHBondContact O-N 3.18Å; Q113-W116 PolarHBondContact O-N 2.84Å; Q113-Q117 VanDerWaalsContact O-CG 3.31Å; Q113-Q117 WeakPolarHBondContact O-CG 3.49Å; Q113-Q117 PolarHBondContact O-N 3.47Å; Q113-Q117 VanDerWaalsContact O-N 3.1Å
114I97.1Very high96.6Very high86 Ų8660.1 Ų60.144%0.44130%0.297SS..Hα-helixtrans-65.9-45.7176-61166.5000109.9A111 V112 W116 Q117 Q118A111-I114 PolarHBondContact O-N 2.96Å; V112-I114 PolarHBondContact O-N 2.83Å; I114-W116 VanDerWaalsContact C-N 3.34Å; I114-W116 PolarHBondContact O-N 3.1Å; I114-Q117 PolarHBondContact O-N 3.1Å; I114-Q118 WeakPolarHBondContact O-CG 3.33Å; I114-Q118 PolarHBondContact O-N 3.15Å
115W97.9Very high96.5Very high21 Ų2167.3 Ų67.38%0.0833%0.331CS..Hα-helixtrans-60.5-43.3178.5177.291000111.6L86 P87 I92 L104 T106 A111 V112 Q118 N119L86-W115 HydrophobicContact CB-CB 4.48Å; L86-W115 HydrophobicContact CB-CD2 4.4Å; L86-W115 HydrophobicContact CB-CG 3.98Å; L86-W115 HydrophobicContact CD1-CB 4.27Å; L86-W115 HydrophobicContact CD2-CB 4.23Å; L86-W115 HydrophobicContact CD2-CD2 4.13Å; L86-W115 HydrophobicContact CD2-CE3 4.24Å; L86-W115 HydrophobicContact CD2-CG 4.12Å; L86-W115 HydrophobicContact CG-CG 4.46Å; P87-W115 HydrophobicContact CG-CZ2 4.45Å; P87-W115 PolarHBondContact O-NE1 3.07Å; I92-W115 HydrophobicContact CD1-CH2 4.41Å; I92-W115 HydrophobicContact CD1-CZ2 3.71Å; L104-W115 HydrophobicContact CD2-CH2 3.5Å; L104-W115 VanDerWaalsContact CD2-CH2 3.5Å; L104-W115 HydrophobicContact CD2-CZ2 3.99Å; L104-W115 HydrophobicContact CD2-CZ3 4.38Å; T106-W115 HydrophobicContact CG2-CH2 4.47Å; T106-W115 HydrophobicContact CG2-CZ3 4.01Å; A111-W115 WeakPolarHBondContact O-CB 3.34Å; A111-W115 PolarHBondContact O-N 2.77Å; V112-W115 PolarHBondContact O-N 2.67Å; W115-Q118 PolarHBondContact O-N 2.62Å; W115-N119 HydrophobicContact CD2-CB 4.48Å; W115-N119 HydrophobicContact CZ2-CB 4.33Å; W115-N119 WeakPolarHBondContact O-CB 3.36Å; W115-N119 PolarHBondContact O-N 3.45Å; W115-N119 PolarHBondContact O-ND2 3.29Å
116W97.5Very high96.4Very high23 Ų2369.1 Ų69.19%0.08734%0.338CS..Hα-helixtrans-66.3-45.7-179.6-167.5-124.4000112.2V112 Q113 I114 Q118 N119 Q120 C123 V131 W177 Q178V112-W116 WeakPolarHBondContact O-CB 3.34Å; V112-W116 PolarHBondContact O-N 2.85Å; Q113-W116 PolarHBondContact O-N 2.84Å; I114-W116 VanDerWaalsContact C-N 3.34Å; I114-W116 PolarHBondContact O-N 3.1Å; W116-Q118 PolarHBondContact O-N 2.99Å; W116-Q118 VanDerWaalsContact O-N 3.15Å; W116-N119 PolarHBondContact O-N 3.49Å; W116-N119 VanDerWaalsContact O-N 3.1Å; W116-Q120 HydrophobicContact CD2-CB 4.07Å; W116-Q120 HydrophobicContact CD2-CG 4.47Å; W116-Q120 HydrophobicContact CE3-CB 4.44Å; W116-Q120 HydrophobicContact CG-CB 4.48Å; W116-Q120 HydrophobicContact CH2-CG 4.38Å; W116-Q120 HydrophobicContact CZ2-CB 4.17Å; W116-Q120 HydrophobicContact CZ2-CG 3.74Å; W116-Q120 VanDerWaalsContact O-CB 3.23Å; W116-Q120 WeakPolarHBondContact O-CB 3.25Å; W116-Q120 PolarHBondContact O-N 2.8Å; W116-C123 HydrophobicContact CH2-CB 4.23Å; W116-C123 HydrophobicContact CZ3-CB 3.99Å; W116-V131 HydrophobicContact CH2-CB 4.2Å; W116-V131 HydrophobicContact CH2-CG1 4.32Å; W116-V131 HydrophobicContact CH2-CG2 4.1Å; W116-V131 HydrophobicContact CZ3-CB 4.24Å; W116-V131 HydrophobicContact CZ3-CG1 3.97Å; W116-V131 HydrophobicContact CZ3-CG2 4Å; W116-W177 HydrophobicContact CB-CE3 4.09Å; W116-W177 HydrophobicContact CB-CH2 3.91Å; W116-W177 HydrophobicContact CB-CZ3 3.48Å; W116-W177 VanDerWaalsContact CB-CZ3 3.48Å; W116-W177 HydrophobicContact CD2-CD2 4.21Å; W116-W177 AromaticContact CD2-CE3 3.45Å; W116-W177 HydrophobicContact CD2-CE3 3.45Å; W116-W177 VanDerWaalsContact CD2-CE3 3.45Å; W116-W177 AromaticContact CD2-CZ3 3.81Å; W116-W177 HydrophobicContact CD2-CZ3 3.81Å; W116-W177 AromaticContact CE2-CE3 3.84Å; W116-W177 AromaticContact CE3-CE3 3.77Å; W116-W177 HydrophobicContact CE3-CE3 3.77Å; W116-W177 HydrophobicContact CE3-CZ3 4.14Å; W116-W177 HydrophobicContact CG-CD2 4.29Å; W116-W177 AromaticContact CG-CE3 3.61Å; W116-W177 HydrophobicContact CG-CE3 3.61Å; W116-W177 HydrophobicContact CG-CH2 4.16Å; W116-W177 AromaticContact CG-CZ3 3.54Å; W116-W177 HydrophobicContact CG-CZ3 3.54Å; W116-W177 HydrophobicContact CH2-CB 4.11Å; W116-W177 HydrophobicContact CZ2-CB 3.66Å; W116-W177 HydrophobicContact CZ2-CE3 4.46Å; W116-W177 HydrophobicContact CZ2-CG 4.46Å; W116-W177 HydrophobicContact CZ3-CE3 4.38Å; W116-Q178 HydrophobicContact CH2-CB 4.01Å
117Q95.8Very high96.3Very high151 Ų15172.3 Ų72.371%0.70637%0.365SS*.Hα-helixtrans-55.9-33.8175.5-74.31773.200112.6Q113 I114Q113-Q117 VanDerWaalsContact O-CG 3.31Å; Q113-Q117 WeakPolarHBondContact O-CG 3.49Å; Q113-Q117 PolarHBondContact O-N 3.47Å; Q113-Q117 VanDerWaalsContact O-N 3.1Å; I114-Q117 PolarHBondContact O-N 3.1Å
118Q96.2Very high96.3Very high126 Ų12672.1 Ų72.159%0.58937%0.367SS*.Hα-helixtrans-83.9-25.9179.7-68.4175.3-2.100114I114 W115 W116I114-Q118 WeakPolarHBondContact O-CG 3.33Å; I114-Q118 PolarHBondContact O-N 3.15Å; W115-Q118 PolarHBondContact O-N 2.62Å; W116-Q118 PolarHBondContact O-N 2.99Å; W116-Q118 VanDerWaalsContact O-N 3.15Å
119N96.5Very high96.4Very high16 Ų1668.5 Ų68.59%0.08635%0.348CS..Hα-helixtrans-118-11.7-168.2-66-77.4000114.6W115 W116 S121 K122 C123W115-N119 HydrophobicContact CD2-CB 4.48Å; W115-N119 HydrophobicContact CZ2-CB 4.33Å; W115-N119 WeakPolarHBondContact O-CB 3.36Å; W115-N119 PolarHBondContact O-N 3.45Å; W115-N119 PolarHBondContact O-ND2 3.29Å; W116-N119 PolarHBondContact O-N 3.49Å; W116-N119 VanDerWaalsContact O-N 3.1Å; N119-S121 VanDerWaalsContact C-N 3.35Å; N119-S121 PolarHBondContact O-N 2.8Å; N119-K122 WeakPolarHBondContact O-CA 3.43Å; N119-K122 WeakPolarHBondContact O-CB 3.39Å; N119-K122 PolarHBondContact O-N 3.26Å; N119-C123 PolarHBondContact O-N 3.16Å; N119-C123 PolarHBondContact O-SG 2.87Å
120Q95.7Very high96.6Very high104 Ų10467.2 Ų67.249%0.48634%0.339SS..Hα-helixtrans-53.7-48.3-177.2179.9-177.124.300112.5W116 K122 C123 V124W116-Q120 HydrophobicContact CD2-CB 4.07Å; W116-Q120 HydrophobicContact CD2-CG 4.47Å; W116-Q120 HydrophobicContact CE3-CB 4.44Å; W116-Q120 HydrophobicContact CG-CB 4.48Å; W116-Q120 HydrophobicContact CH2-CG 4.38Å; W116-Q120 HydrophobicContact CZ2-CB 4.17Å; W116-Q120 HydrophobicContact CZ2-CG 3.74Å; W116-Q120 VanDerWaalsContact O-CB 3.23Å; W116-Q120 WeakPolarHBondContact O-CB 3.25Å; W116-Q120 PolarHBondContact O-N 2.8Å; Q120-K122 PolarHBondContact O-N 3.22Å; Q120-C123 PolarHBondContact O-N 2.69Å; Q120-V124 PolarHBondContact O-N 3.38Å
121S95.3Very high96.8Very high80 Ų8057.3 Ų57.356%0.55930%0.301SS*.Hα-helixtrans-65.4-19.2-179.859.20000114N119 V124N119-S121 VanDerWaalsContact C-N 3.35Å; N119-S121 PolarHBondContact O-N 2.8Å; S121-V124 WeakPolarHBondContact O-CG1 3.48Å
122K94.8Very high96.8Very high75 Ų7556.7 Ų56.733%0.32629%0.291SS..Hα-helixtrans-90.6-42.4175-56.6173.6177.8-172.50110.8E89 N119 Q120 V124 Q125E89-K122 HydrophobicContact CG-CD 4.29Å; E89-K122 WeakPolarHBondContact OE2-CD 3.38Å; E89-K122 WeakPolarHBondContact OE2-CE 3.39Å; E89-K122 IonicContact OE2-NZ 3.92Å; E89-K122 PolarHBondContact OE2-NZ 2.96Å; N119-K122 WeakPolarHBondContact O-CA 3.43Å; N119-K122 WeakPolarHBondContact O-CB 3.39Å; N119-K122 PolarHBondContact O-N 3.26Å; Q120-K122 PolarHBondContact O-N 3.22Å; K122-V124 VanDerWaalsContact C-N 3.3Å; K122-V124 PolarHBondContact O-N 2.86Å; K122-Q125 WeakPolarHBondContact O-CB 3.49Å; K122-Q125 PolarHBondContact O-N 3.45Å
123C96.2Very high96.9Very high0 Ų057.9 Ų57.90%030%0.296CS..Hα-helixtrans-60.8-39.7178.9-66.20000111.7W116 N119 Q120 Q125 F126 L129 Q178W116-C123 HydrophobicContact CH2-CB 4.23Å; W116-C123 HydrophobicContact CZ3-CB 3.99Å; N119-C123 PolarHBondContact O-N 3.16Å; N119-C123 PolarHBondContact O-SG 2.87Å; Q120-C123 PolarHBondContact O-N 2.69Å; C123-Q125 PolarHBondContact O-N 2.8Å; C123-Q125 VanDerWaalsContact O-N 3.08Å; C123-F126 PolarHBondContact O-N 2.82Å; C123-L129 HydrophobicContact CB-CD2 3.9Å; C123-Q178 PolarHBondContact O-NE2 2.81Å; C123-Q178 PolarHBondContact O-OE1 3.23Å
124V95.5Very high97Very high97 Ų9753.8 Ų53.859%0.58828%0.277SS*.THydrogen-bonded Turntrans-63.4-16.7179.976.50000113.4Q120 S121 K122 F126 Q178Q120-V124 PolarHBondContact O-N 3.38Å; S121-V124 WeakPolarHBondContact O-CG1 3.48Å; K122-V124 VanDerWaalsContact C-N 3.3Å; K122-V124 PolarHBondContact O-N 2.86Å; V124-F126 VanDerWaalsContact C-N 3.25Å; V124-F126 PolarHBondContact O-N 2.84Å; V124-Q178 VanDerWaalsContact N-OE1 3.14Å
125Q95.8Very high97Very high154 Ų15451.7 Ų51.772%0.7227%0.267SS*.THydrogen-bonded Turntrans-74.3-17.5176.1-57.1-171.6-5.500112.7K122 C123K122-Q125 WeakPolarHBondContact O-CB 3.49Å; K122-Q125 PolarHBondContact O-N 3.45Å; C123-Q125 PolarHBondContact O-N 2.8Å; C123-Q125 VanDerWaalsContact O-N 3.08Å
126F97Very high97Very high38 Ų3854.1 Ų54.117%0.16728%0.281CS..  trans-94.698.6178.3-59-71.4000109.9I92 K93 C96 C123 V124 N128 L129 Q178I92-F126 HydrophobicContact CG2-CD2 3.92Å; I92-F126 HydrophobicContact CG2-CE2 3.88Å; K93-F126 HydrophobicContact CB-CE1 4.2Å; K93-F126 HydrophobicContact CB-CZ 3.8Å; K93-F126 HydrophobicContact CG-CE1 4.11Å; K93-F126 HydrophobicContact CG-CZ 4.08Å; C96-F126 HydrophobicContact CB-CB 4.11Å; C96-F126 HydrophobicContact CB-CD1 3.49Å; C96-F126 VanDerWaalsContact CB-CD1 3.49Å; C96-F126 HydrophobicContact CB-CE1 4.11Å; C96-F126 HydrophobicContact CB-CG 3.9Å; C123-F126 PolarHBondContact O-N 2.82Å; V124-F126 VanDerWaalsContact C-N 3.25Å; V124-F126 PolarHBondContact O-N 2.84Å; F126-N128 PolarHBondContact O-N 2.87Å; F126-N128 VanDerWaalsContact O-N 3.15Å; F126-L129 HydrophobicContact CB-CB 3.76Å; F126-L129 HydrophobicContact CB-CD2 4.32Å; F126-L129 HydrophobicContact CD2-CD2 4.35Å; F126-L129 WeakPolarHBondContact O-CB 3.49Å; F126-L129 PolarHBondContact O-N 3.09Å; F126-L129 VanDerWaalsContact O-N 3.13Å; F126-Q178 PolarHBondContact O-NE2 2.71Å
127A97Very high97.1Very high68 Ų6859 Ų5956%0.56231%0.305SS*.THydrogen-bonded Turntrans-63.4-18.9-177.100000114P180A127-P180 WeakPolarHBondContact O-CA 3.45Å; A127-P180 VanDerWaalsContact O-CB 3.3Å; A127-P180 WeakPolarHBondContact O-CB 3.34Å
128N98Very high97.2Very high38 Ų3853.2 Ų53.220%0.20328%0.278CS..THydrogen-bonded Turntrans-100.912.7178.465.6-28.8000114.2C96 A99 A100 V102 F126C96-N128 PolarHBondContact O-ND2 2.9Å; A99-N128 PolarHBondContact O-ND2 2.81Å; A100-N128 WeakPolarHBondContact O-CB 3.47Å; A100-N128 PolarHBondContact O-ND2 3.19Å; V102-N128 PolarHBondContact N-O 3.46Å; F126-N128 PolarHBondContact O-N 2.87Å; F126-N128 VanDerWaalsContact O-N 3.15Å
129L98.4Very high97.3Very high1 Ų147.3 Ų47.31%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-100.9120.3-178.5177.765.1000111.6I92 V102 L104 C123 F126 V131 Q178I92-L129 HydrophobicContact CG2-CD2 3.85Å; V102-L129 HydrophobicContact CB-CD1 3.89Å; V102-L129 HydrophobicContact CG1-CD1 3.63Å; L104-L129 HydrophobicContact CB-CD1 4.22Å; C123-L129 HydrophobicContact CB-CD2 3.9Å; F126-L129 HydrophobicContact CB-CB 3.76Å; F126-L129 HydrophobicContact CB-CD2 4.32Å; F126-L129 HydrophobicContact CD2-CD2 4.35Å; F126-L129 WeakPolarHBondContact O-CB 3.49Å; F126-L129 PolarHBondContact O-N 3.09Å; F126-L129 VanDerWaalsContact O-N 3.13Å; L129-V131 HydrophobicContact CD1-CG2 4.34Å; L129-V131 HydrophobicContact CD2-CG2 4.04Å; L129-V131 HydrophobicContact CG-CG2 3.93Å; L129-Q178 PolarHBondContact O-NE2 2.67Å
130S98.4Very high97.4Very high4 Ų448.9 Ų48.93%0.02827%0.266CS..EExtended strand (participates in β ladder)trans-95.6134.2162.7-65.30000110.3V102 L104 Q178 P180V102-S130 PolarHBondContact O-N 2.98Å; L104-S130 PolarHBondContact N-O 2.9Å; S130-Q178 CarbonylContact C-O 3.28Å; S130-Q178 WeakPolarHBondContact CA-O 3.42Å; S130-P180 WeakPolarHBondContact OG-CD 3.49Å
131V98.3Very high97.5Very high0 Ų048.2 Ų48.20%026%0.261CS..EExtended strand (participates in β ladder)trans-121.3116.5173.7-174.30000109.4L104 T106 W116 L129 W177 Q178L104-V131 HydrophobicContact CB-CG2 4.47Å; L104-V131 HydrophobicContact CD2-CG1 4.43Å; L104-V131 HydrophobicContact CD2-CG2 4.42Å; L104-V131 WeakPolarHBondContact O-CA 3.46Å; T106-V131 HydrophobicContact CG2-CG1 3.89Å; W116-V131 HydrophobicContact CH2-CB 4.2Å; W116-V131 HydrophobicContact CH2-CG1 4.32Å; W116-V131 HydrophobicContact CH2-CG2 4.1Å; W116-V131 HydrophobicContact CZ3-CB 4.24Å; W116-V131 HydrophobicContact CZ3-CG1 3.97Å; W116-V131 HydrophobicContact CZ3-CG2 4Å; L129-V131 HydrophobicContact CD1-CG2 4.34Å; L129-V131 HydrophobicContact CD2-CG2 4.04Å; L129-V131 HydrophobicContact CG-CG2 3.93Å; V131-W177 HydrophobicContact CB-CB 4.31Å; V131-W177 HydrophobicContact CG1-CB 4.24Å; V131-W177 HydrophobicContact CG1-CE3 4.09Å; V131-W177 PolarHBondContact O-N 2.82Å; V131-Q178 HydrophobicContact CB-CB 4.07Å; V131-Q178 HydrophobicContact CG2-CB 4.04Å; V131-Q178 PolarHBondContact N-O 3.09Å; V131-Q178 PolarHBondContact O-N 3.08Å
132W98.5Very high97.6Very high23 Ų2344.5 Ų44.59%0.08724%0.235CC..EExtended strand (participates in β ladder)trans-108.1142.1178.4-55.9103.4000109.7K49 Y50 L104 F105 T106 L174 T175 A176 Q179K49-W132 HydrophobicContact CD-CD2 4.45Å; K49-W132 VanDerWaalsContact CE-CH2 3.46Å; Y50-W132 AromaticContact CE2-NE1 3.95Å; Y50-W132 AromaticContact CZ-NE1 3.93Å; Y50-W132 PolarHBondContact OH-NE1 3.14Å; L104-W132 PolarHBondContact O-N 3.37Å; F105-W132 HydrophobicContact CD1-CB 3.95Å; F105-W132 HydrophobicContact CD1-CG 4.49Å; F105-W132 HydrophobicContact CE1-CB 4.14Å; F105-W132 HydrophobicContact CE1-CG 4.25Å; F105-W132 HydrophobicContact CG-CB 4.38Å; F105-W132 AromaticContact CZ-CD1 3.93Å; F105-W132 HydrophobicContact CZ-CG 4.42Å; T106-W132 PolarHBondContact N-O 3.38Å; T106-W132 PolarHBondContact OG1-O 3.26Å; W132-L174 HydrophobicContact CE3-CB 4.08Å; W132-T175 CarbonylContact C-O 3.6Å; W132-T175 WeakPolarHBondContact CA-O 3.41Å; W132-A176 HydrophobicContact CE3-CB 3.97Å; W132-A176 HydrophobicContact CH2-CB 4.32Å; W132-A176 HydrophobicContact CZ3-CB 3.62Å; W132-Q179 HydrophobicContact CH2-CG 4.47Å
133Y98.4Very high97.8Very high24 Ų2441.5 Ų41.59%0.09422%0.223CC..EExtended strand (participates in β ladder)trans-123.2134.1175.1166.1-117.4000110.3T106 S109 V112 D135 T175 W177T106-Y133 WeakPolarHBondContact O-CA 3.49Å; T106-Y133 WeakPolarHBondContact OG1-CA 3.29Å; T106-Y133 WeakPolarHBondContact OG1-CB 3.45Å; S109-Y133 WeakPolarHBondContact CB-OH 3.48Å; S109-Y133 PolarHBondContact OG-OH 3.43Å; V112-Y133 HydrophobicContact CG1-CD2 4.01Å; V112-Y133 HydrophobicContact CG1-CE2 3.66Å; V112-Y133 HydrophobicContact CG2-CD2 4.4Å; Y133-D135 HydrophobicContact CE1-CB 4.08Å; Y133-D135 WeakPolarHBondContact OH-CA 3.47Å; Y133-D135 WeakPolarHBondContact OH-CB 3.48Å; Y133-T175 PolarHBondContact N-O 2.92Å; Y133-T175 PolarHBondContact O-N 3.37Å; Y133-W177 AromaticContact CD1-CZ2 3.86Å; Y133-W177 HydrophobicContact CD1-CZ2 3.86Å; Y133-W177 AromaticContact CD1-NE1 3.99Å; Y133-W177 HydrophobicContact CD2-CH2 4.45Å; Y133-W177 HydrophobicContact CD2-CZ2 4.23Å; Y133-W177 HydrophobicContact CE1-CZ2 4.43Å; Y133-W177 AromaticContact CG-CE2 3.93Å; Y133-W177 HydrophobicContact CG-CH2 4.32Å; Y133-W177 AromaticContact CG-CZ2 3.73Å; Y133-W177 HydrophobicContact CG-CZ2 3.73Å
134L98.4Very high97.9Very high1 Ų145.1 Ų45.11%0.00525%0.253CS..  trans-118.2124.2168.1-165.869.5000109.1L42 L45 T106 Q138 L139 V142 V172 L174L42-L134 HydrophobicContact CD1-CB 4.33Å; L42-L134 HydrophobicContact CD1-CD2 3.95Å; L45-L134 HydrophobicContact CD2-CD2 3.93Å; T106-L134 PolarHBondContact O-N 2.72Å; T106-L134 VanDerWaalsContact O-N 3.09Å; L134-Q138 HydrophobicContact CD1-CB 3.63Å; L134-Q138 HydrophobicContact CD1-CG 4.45Å; L134-Q138 HydrophobicContact CG-CB 3.97Å; L134-L139 HydrophobicContact CD2-CB 3.98Å; L134-L139 HydrophobicContact CD2-CD1 4.05Å; L134-L139 HydrophobicContact CG-CB 4.37Å; L134-V142 HydrophobicContact CD2-CG2 4.39Å; L134-V172 HydrophobicContact CD1-CG1 3.76Å; L134-L174 HydrophobicContact CB-CD2 3.93Å; L134-L174 HydrophobicContact CD1-CD2 3.87Å; L134-L174 HydrophobicContact CG-CD2 4.4Å
135D97.9Very high98Very high42 Ų4241.1 Ų41.123%0.22523%0.228CC..  trans-70.5164.3178.167.769000112.7Y133 E137 Q138 L139Y133-D135 HydrophobicContact CE1-CB 4.08Å; Y133-D135 WeakPolarHBondContact OH-CA 3.47Å; Y133-D135 WeakPolarHBondContact OH-CB 3.48Å; D135-E137 VanDerWaalsContact C-N 3.28Å; D135-E137 PolarHBondContact O-N 2.68Å; D135-E137 WeakPolarHBondContact OD1-CA 3.49Å; D135-E137 WeakPolarHBondContact OD1-CB 3.47Å; D135-E137 PolarHBondContact OD1-N 2.78Å; D135-Q138 PolarHBondContact O-N 3.16Å; D135-Q138 PolarHBondContact OD1-N 2.89Å; D135-Q138 WeakPolarHBondContact OD2-CG 3.34Å; D135-Q138 PolarHBondContact OD2-NE2 3.38Å; D135-L139 VanDerWaalsContact O-CB 3.27Å; D135-L139 WeakPolarHBondContact O-CB 3.34Å; D135-L139 PolarHBondContact O-N 3.46Å
136D98Very high98.1Very high72 Ų7234.8 Ų34.839%0.38520%0.202SC..Hα-helixtrans-66.8-29.3-173.3-56.7-32.7000112.4N108 S109 A140N108-D136 VanDerWaalsContact CA-OD1 3.23Å; N108-D136 WeakPolarHBondContact CA-OD1 3.39Å; N108-D136 PolarHBondContact N-OD1 2.9Å; S109-D136 WeakPolarHBondContact CB-OD2 3.45Å; S109-D136 PolarHBondContact N-OD1 3.35Å; S109-D136 PolarHBondContact N-OD2 2.76Å; S109-D136 PolarHBondContact OG-OD1 3.12Å; S109-D136 PolarHBondContact OG-OD2 3Å; D136-A140 WeakPolarHBondContact O-CB 3.47Å; D136-A140 PolarHBondContact O-N 3.46Å
137E98.1Very high98.2Very high126 Ų12637.4 Ų37.459%0.58922%0.218SC*.Hα-helixtrans-70.7-49.4178.5-173.6-172.5154.400110.5D135 A140 K141D135-E137 VanDerWaalsContact C-N 3.28Å; D135-E137 PolarHBondContact O-N 2.68Å; D135-E137 WeakPolarHBondContact OD1-CA 3.49Å; D135-E137 WeakPolarHBondContact OD1-CB 3.47Å; D135-E137 PolarHBondContact OD1-N 2.78Å; E137-A140 PolarHBondContact O-N 2.89Å; E137-K141 WeakPolarHBondContact O-CG 3.22Å; E137-K141 PolarHBondContact O-N 3.13Å; E137-K141 VanDerWaalsContact O-N 3.15Å; E137-K141 WeakPolarHBondContact OE1-CE 3.46Å; E137-K141 IonicContact OE1-NZ 2.73Å; E137-K141 PolarHBondContact OE1-NZ 3.22Å
138Q98.2Very high98.2Very high28 Ų2839.6 Ų39.613%0.13121%0.212CC..Hα-helixtrans-64.4-41.4176.7-67.6-168.284.600111.4L134 D135 A140 K141 V142 N173L134-Q138 HydrophobicContact CD1-CB 3.63Å; L134-Q138 HydrophobicContact CD1-CG 4.45Å; L134-Q138 HydrophobicContact CG-CB 3.97Å; D135-Q138 PolarHBondContact O-N 3.16Å; D135-Q138 PolarHBondContact OD1-N 2.89Å; D135-Q138 WeakPolarHBondContact OD2-CG 3.34Å; D135-Q138 PolarHBondContact OD2-NE2 3.38Å; Q138-A140 VanDerWaalsContact C-N 3.33Å; Q138-A140 PolarHBondContact O-N 2.84Å; Q138-K141 PolarHBondContact O-N 3Å; Q138-K141 VanDerWaalsContact O-N 3.17Å; Q138-V142 WeakPolarHBondContact O-CG2 3.49Å; Q138-V142 PolarHBondContact O-N 3.19Å; Q138-N173 PolarHBondContact NE2-O 3Å; Q138-N173 PolarHBondContact OE1-O 3.11Å
139L98.3Very high98.2Very high3 Ų342.5 Ų42.52%0.01623%0.231CC..Hα-helixtrans-61.6-40.3177.5-179.259.3000112.1E38 L42 Y107 L134 D135 K141 V142 S143E38-L139 HydrophobicContact CB-CD1 4.09Å; E38-L139 HydrophobicContact CB-CD2 4.05Å; E38-L139 HydrophobicContact CB-CG 3.96Å; E38-L139 HydrophobicContact CG-CG 4.22Å; L42-L139 HydrophobicContact CB-CD1 4.01Å; Y107-L139 HydrophobicContact CD2-CD2 3.64Å; Y107-L139 HydrophobicContact CG-CD2 3.99Å; L134-L139 HydrophobicContact CD2-CB 3.98Å; L134-L139 HydrophobicContact CD2-CD1 4.05Å; L134-L139 HydrophobicContact CG-CB 4.37Å; D135-L139 VanDerWaalsContact O-CB 3.27Å; D135-L139 WeakPolarHBondContact O-CB 3.34Å; D135-L139 PolarHBondContact O-N 3.46Å; L139-K141 VanDerWaalsContact C-N 3.35Å; L139-K141 PolarHBondContact O-N 3.29Å; L139-V142 PolarHBondContact O-N 2.78Å; L139-S143 VanDerWaalsContact O-CB 3.24Å; L139-S143 WeakPolarHBondContact O-CB 3.31Å; L139-S143 PolarHBondContact O-N 3.31Å
140A98.4Very high98.2Very high49 Ų4942.7 Ų42.741%0.40523%0.232SC..Hα-helixtrans-62.6-41.4174.900000111.8D136 E137 Q138 S143 A144D136-A140 WeakPolarHBondContact O-CB 3.47Å; D136-A140 PolarHBondContact O-N 3.46Å; E137-A140 PolarHBondContact O-N 2.89Å; Q138-A140 VanDerWaalsContact C-N 3.33Å; Q138-A140 PolarHBondContact O-N 2.84Å; A140-S143 WeakPolarHBondContact O-CB 3.27Å; A140-S143 PolarHBondContact O-N 3.04Å; A140-A144 PolarHBondContact O-N 3.42Å
141K98.4Very high98.2Very high90 Ų9047.2 Ų47.239%0.39126%0.259SS..Hα-helixtrans-66.1-44.1176.3-66.9173.9-172.3168.60112E137 Q138 L139 S143 A144 F145 L170E137-K141 WeakPolarHBondContact O-CG 3.22Å; E137-K141 PolarHBondContact O-N 3.13Å; E137-K141 VanDerWaalsContact O-N 3.15Å; E137-K141 WeakPolarHBondContact OE1-CE 3.46Å; E137-K141 IonicContact OE1-NZ 2.73Å; E137-K141 PolarHBondContact OE1-NZ 3.22Å; Q138-K141 PolarHBondContact O-N 3Å; Q138-K141 VanDerWaalsContact O-N 3.17Å; L139-K141 VanDerWaalsContact C-N 3.35Å; L139-K141 PolarHBondContact O-N 3.29Å; K141-S143 VanDerWaalsContact C-N 3.3Å; K141-S143 PolarHBondContact O-N 2.79Å; K141-A144 WeakPolarHBondContact O-CB 3.44Å; K141-A144 PolarHBondContact O-N 3.39Å; K141-A144 VanDerWaalsContact O-N 3.17Å; K141-F145 WeakPolarHBondContact O-CD2 3.36Å; K141-L170 HydrophobicContact CB-CD1 3.8Å; K141-L170 HydrophobicContact CB-CD2 3.65Å; K141-L170 HydrophobicContact CB-CG 4.41Å; K141-L170 HydrophobicContact CD-CD1 3.75Å; K141-L170 HydrophobicContact CG-CD1 4.35Å
142V98.5Very high98.2Very high1 Ų147.6 Ų47.61%0.00626%0.261CS..Hα-helixtrans-62.2-40.1174.91730000110.8M41 L134 Q138 L139 A144 F145 L170 V172M41-V142 HydrophobicContact CB-CG1 4.14Å; L134-V142 HydrophobicContact CD2-CG2 4.39Å; Q138-V142 WeakPolarHBondContact O-CG2 3.49Å; Q138-V142 PolarHBondContact O-N 3.19Å; L139-V142 PolarHBondContact O-N 2.78Å; V142-A144 PolarHBondContact O-N 3.39Å; V142-F145 PolarHBondContact O-N 2.76Å; V142-L170 HydrophobicContact CB-CD2 4.48Å; V142-L170 HydrophobicContact CG2-CD2 3.72Å; V142-V172 HydrophobicContact CG2-CG1 4.12Å; V142-V172 HydrophobicContact CG2-CG2 3.67Å
143S98.1Very high98.2Very high12 Ų1250.9 Ų50.98%0.08428%0.278CS..Hα-helixtrans-61.1-26.9176.9-172.20000113.2Q37 L139 A140 K141 F145 A146Q37-S143 PolarHBondContact NE2-O 3.49Å; Q37-S143 PolarHBondContact NE2-OG 3.37Å; L139-S143 VanDerWaalsContact O-CB 3.24Å; L139-S143 WeakPolarHBondContact O-CB 3.31Å; L139-S143 PolarHBondContact O-N 3.31Å; A140-S143 WeakPolarHBondContact O-CB 3.27Å; A140-S143 PolarHBondContact O-N 3.04Å; K141-S143 VanDerWaalsContact C-N 3.3Å; K141-S143 PolarHBondContact O-N 2.79Å; S143-F145 VanDerWaalsContact C-N 3.27Å; S143-F145 PolarHBondContact O-N 3.34Å; S143-A146 VanDerWaalsContact O-CB 3.3Å; S143-A146 WeakPolarHBondContact O-CB 3.34Å; S143-A146 PolarHBondContact O-N 3.25Å
144A98.1Very high98.2Very high76 Ų7649.8 Ų49.863%0.62827%0.273SS*.THydrogen-bonded Turntrans-70.8-17.9-179.600000114.1A140 K141 V142 A146A140-A144 PolarHBondContact O-N 3.42Å; K141-A144 WeakPolarHBondContact O-CB 3.44Å; K141-A144 PolarHBondContact O-N 3.39Å; K141-A144 VanDerWaalsContact O-N 3.17Å; V142-A144 PolarHBondContact O-N 3.39Å; A144-A146 PolarHBondContact O-N 3.37Å
145F98.4Very high98.2Very high13 Ų1351.8 Ų51.86%0.05729%0.286CS..THydrogen-bonded Turntrans-74-7.2173.8-75-98.8000113.4M41 K141 V142 S143 D147 L152 L163 D165 N168 L170M41-F145 HydrophobicContact CE-CB 3.92Å; K141-F145 WeakPolarHBondContact O-CD2 3.36Å; V142-F145 PolarHBondContact O-N 2.76Å; S143-F145 VanDerWaalsContact C-N 3.27Å; S143-F145 PolarHBondContact O-N 3.34Å; F145-D147 PolarHBondContact O-N 3.26Å; F145-L152 HydrophobicContact CB-CD2 4.37Å; F145-L152 HydrophobicContact CD1-CD2 3.95Å; F145-L163 HydrophobicContact CD1-CD2 4.41Å; F145-L163 HydrophobicContact CD1-CG 4.41Å; F145-L163 HydrophobicContact CD2-CD2 4.11Å; F145-L163 HydrophobicContact CE1-CG 4.29Å; F145-L163 HydrophobicContact CE2-CD2 4.33Å; F145-L163 HydrophobicContact CG-CD2 4.16Å; F145-L163 HydrophobicContact CZ-CG 4.42Å; F145-D165 HydrophobicContact CD1-CB 4.06Å; F145-D165 WeakPolarHBondContact CD1-OD2 3.45Å; F145-D165 HydrophobicContact CE1-CB 4.2Å; F145-N168 HydrophobicContact CE1-CB 3.82Å; F145-N168 HydrophobicContact CZ-CB 3.74Å; F145-L170 HydrophobicContact CD2-CD2 4.38Å; F145-L170 HydrophobicContact CE2-CB 3.59Å; F145-L170 HydrophobicContact CE2-CD2 3.68Å; F145-L170 HydrophobicContact CE2-CG 4.27Å; F145-L170 HydrophobicContact CZ-CB 3.65Å
146A98Very high98.3Very high21 Ų2150 Ų5017%0.17428%0.276CS..  trans-69.5117.8-174.600000112.5Q37 M40 M41 S143 A144Q37-A146 VanDerWaalsContact CD-CB 3.49Å; Q37-A146 HydrophobicContact CG-CB 3.63Å; M40-A146 HydrophobicContact CE-CB 4.18Å; M41-A146 HydrophobicContact CG-CB 3.83Å; M41-A146 HydrophobicContact SD-CB 3.8Å; S143-A146 VanDerWaalsContact O-CB 3.3Å; S143-A146 WeakPolarHBondContact O-CB 3.34Å; S143-A146 PolarHBondContact O-N 3.25Å; A144-A146 PolarHBondContact O-N 3.37Å
147D97.7Very high98.3Very high94 Ų9451.1 Ų51.150%0.50328%0.279SS..  trans-131.8159166.5-164.7-74.5000110Y8 F145 T149 M150Y8-D147 WeakPolarHBondContact CD1-O 3.47Å; F145-D147 PolarHBondContact O-N 3.26Å; D147-T149 PolarHBondContact O-N 3.44Å; D147-T149 PolarHBondContact OD1-N 3.37Å; D147-T149 VanDerWaalsContact OD1-N 3.07Å; D147-M150 HydrophobicContact CB-CG 4.09Å; D147-M150 WeakPolarHBondContact O-CE 3.46Å; D147-M150 WeakPolarHBondContact O-CG 3.44Å
148R97.3Very high98.2Very high114 Ų11451.8 Ų51.843%0.4329%0.287SS..SBendtrans-54.2-35.6174.3-60.5-65.8-67.2130.28.7111.3I7 K9I7-R148 PolarHBondContact O-NH1 2.74Å; I7-R148 PolarHBondContact O-NH2 3.4Å; K9-R148 PolarHBondContact N-O 3.25Å
149T98Very high98Very high98 Ų9852 Ų5260%0.60130%0.296SS*.EExtended strand (participates in β ladder)trans-129110.7174.1-49.60000109.4K9 D147K9-T149 WeakPolarHBondContact O-CA 3.45Å; D147-T149 PolarHBondContact O-N 3.44Å; D147-T149 PolarHBondContact OD1-N 3.37Å; D147-T149 VanDerWaalsContact OD1-N 3.07Å
150M98.4Very high98Very high6 Ų653.1 Ų53.13%0.0330%0.303CS..EExtended strand (participates in β ladder)trans-105.1143.2-178.3-67.5167.4-73.400110.7Y8 K9 A10 T11 M41 L44 D147 L152Y8-M150 HydrophobicContact CD1-CE 3.97Å; K9-M150 PolarHBondContact O-N 2.85Å; A10-M150 WeakPolarHBondContact CA-O 3.14Å; A10-M150 HydrophobicContact CB-CB 4.17Å; A10-M150 HydrophobicContact CB-CE 4.13Å; T11-M150 PolarHBondContact N-O 3.02Å; M41-M150 HydrophobicContact CE-SD 4.12Å; M41-M150 HydrophobicContact SD-CE 4.5Å; M41-M150 HydrophobicContact SD-SD 3.9Å; L44-M150 HydrophobicContact CD2-CE 4.22Å; L44-M150 HydrophobicContact CD2-SD 4.27Å; D147-M150 HydrophobicContact CB-CG 4.09Å; D147-M150 WeakPolarHBondContact O-CE 3.46Å; D147-M150 WeakPolarHBondContact O-CG 3.44Å; M150-L152 HydrophobicContact CB-CD1 4.35Å; M150-L152 HydrophobicContact CB-CD2 4.42Å; M150-L152 HydrophobicContact CB-CG 4.09Å; M150-L152 HydrophobicContact SD-CD1 4.49Å
151T98.6Very high98Very high99 Ų9950.8 Ų50.861%0.60728%0.284SS*.EExtended strand (participates in β ladder)trans-122.5112.1163.6-56.80000106.4T11T11-T151 WeakPolarHBondContact O-CA 3.42Å
152L98.7Very high98Very high7 Ų751.3 Ų51.34%0.03728%0.283CS..EExtended strand (participates in β ladder)trans-123142-172.6-56.6174.4000110.5T11 V12 N13 L44 F145 M150 L163 S164 D165T11-L152 PolarHBondContact O-N 3.29Å; V12-L152 WeakPolarHBondContact CA-O 3.35Å; V12-L152 HydrophobicContact CG1-CB 4.32Å; N13-L152 PolarHBondContact N-O 3.23Å; L44-L152 HydrophobicContact CD2-CD1 3.59Å; L44-L152 HydrophobicContact CG-CD1 4.43Å; F145-L152 HydrophobicContact CB-CD2 4.37Å; F145-L152 HydrophobicContact CD1-CD2 3.95Å; M150-L152 HydrophobicContact CB-CD1 4.35Å; M150-L152 HydrophobicContact CB-CD2 4.42Å; M150-L152 HydrophobicContact CB-CG 4.09Å; M150-L152 HydrophobicContact SD-CD1 4.49Å; L152-L163 HydrophobicContact CB-CD1 4.23Å; L152-L163 HydrophobicContact CD1-CD1 4.42Å; L152-S164 WeakPolarHBondContact CA-O 3.34Å; L152-D165 HydrophobicContact CD2-CB 4.09Å
153Q98.6Very high98Very high93 Ų9351.4 Ų51.444%0.43528%0.284SS..EExtended strand (participates in β ladder)trans-116.6130.8167.4-174.6168.421.900109.2N13 S164N13-Q153 HydrophobicContact CB-CG 4.48Å; N13-Q153 CarbonylContact O-C 3.54Å; N13-Q153 WeakPolarHBondContact O-CA 3.24Å; N13-Q153 PolarHBondContact OD1-NE2 2.79Å; Q153-S164 PolarHBondContact N-O 3.18Å; Q153-S164 PolarHBondContact O-N 3.07Å; Q153-S164 PolarHBondContact O-OG 3.28Å
154A98.7Very high98Very high0 Ų052.1 Ų52.10%029%0.289CS..EExtended strand (participates in β ladder)trans-122.7120.4177.100000109.7N13 V14 A15 L48 I161 W162 L163N13-A154 PolarHBondContact O-N 3.42Å; V14-A154 CarbonylContact C-O 3.6Å; V14-A154 WeakPolarHBondContact CA-O 3.27Å; A15-A154 PolarHBondContact N-O 3.5Å; L48-A154 HydrophobicContact CB-CB 4.48Å; L48-A154 HydrophobicContact CD1-CB 4.16Å; L48-A154 HydrophobicContact CD2-CB 4.11Å; L48-A154 HydrophobicContact CG-CB 4.49Å; A154-I161 HydrophobicContact CB-CG2 4.39Å; A154-W162 VanDerWaalsContact CA-O 3.32Å; A154-W162 WeakPolarHBondContact CA-O 3.38Å; A154-L163 HydrophobicContact CB-CD1 4.46Å
155T98.7Very high98Very high43 Ų4350.5 Ų50.526%0.26427%0.269SS..EExtended strand (participates in β ladder)trans-105.8128.5168-56.80000108.8A15 L17 W162A15-T155 HydrophobicContact CB-CG2 4.46Å; A15-T155 CarbonylContact O-C 3.56Å; A15-T155 VanDerWaalsContact O-CA 3.31Å; A15-T155 WeakPolarHBondContact O-CA 3.42Å; L17-T155 HydrophobicContact CD1-CG2 4.32Å; L17-T155 HydrophobicContact CG-CG2 4.49Å; T155-W162 PolarHBondContact N-O 2.87Å; T155-W162 PolarHBondContact O-N 3.17Å
156I98.6Very high97.9Very high5 Ų556.4 Ų56.43%0.02630%0.302CS..EExtended strand (participates in β ladder)trans-114122.4-179.8-50.6-178.8000108.5V14 A15 D16 L17 L48 V160 I161V14-I156 HydrophobicContact CG1-CD1 4.34Å; A15-I156 PolarHBondContact O-N 3.09Å; D16-I156 HydrophobicContact CB-CB 4.34Å; D16-I156 HydrophobicContact CB-CD1 4.49Å; L17-I156 WeakPolarHBondContact CB-O 3.42Å; L17-I156 PolarHBondContact N-O 3.41Å; L48-I156 WeakPolarHBondContact O-CD1 3.27Å; I156-V160 WeakPolarHBondContact CA-O 3.46Å; I156-I161 HydrophobicContact CD1-CG1 4.38Å; I156-I161 HydrophobicContact CG1-CG1 4.16Å; I156-I161 HydrophobicContact CG1-CG2 4.42Å; I156-I161 HydrophobicContact CG2-CG1 4.47Å
157Q97.9Very high97.8Very high96 Ų9663.1 Ų63.145%0.44933%0.327SS..EExtended strand (participates in β ladder)trans-150.9133.5178.6-173.5178.57.600110.1L17 D18 G159 V160L17-Q157 HydrophobicContact CB-CB 4.49Å; L17-Q157 HydrophobicContact CD1-CB 4.26Å; L17-Q157 HydrophobicContact CD1-CG 4.33Å; D18-Q157 WeakPolarHBondContact OD1-CA 3.4Å; Q157-G159 PolarHBondContact O-N 3.5Å; Q157-G159 VanDerWaalsContact O-N 3.17Å; Q157-V160 PolarHBondContact N-O 2.83Å; Q157-V160 WeakPolarHBondContact O-CB 3.38Å; Q157-V160 PolarHBondContact O-N 2.9Å
158D96Very high97.8Very high140 Ų14062.4 Ų62.475%0.74932%0.323SS*.THydrogen-bonded Turntrans52.434.3-178.3-60.9-49.7000112.3D18 V160D18-D158 PolarHBondContact OD1-N 3.39Å; D18-D158 PolarHBondContact OD2-N 3.04Å; D158-V160 PolarHBondContact O-N 3.17Å
159G94Very high97.8Very high32 Ų3262.2 Ų62.233%0.3333%0.331SS..THydrogen-bonded Turntrans76.4-5.1-176.700000115.8D18 Q157D18-G159 PolarHBondContact OD2-N 3.18Å; Q157-G159 PolarHBondContact O-N 3.5Å; Q157-G159 VanDerWaalsContact O-N 3.17Å
160V98.1Very high97.8Very high26 Ų2658.8 Ų58.816%0.15831%0.308CS..EExtended strand (participates in β ladder)trans-84.7137.8176.4-174.30000109.7I156 Q157 D158 E171 N173I156-V160 WeakPolarHBondContact CA-O 3.46Å; Q157-V160 PolarHBondContact N-O 2.83Å; Q157-V160 WeakPolarHBondContact O-CB 3.38Å; Q157-V160 PolarHBondContact O-N 2.9Å; D158-V160 PolarHBondContact O-N 3.17Å; V160-E171 HydrophobicContact CG1-CG 3.51Å; V160-N173 WeakPolarHBondContact CG2-OD1 3.05Å
161I98.7Very high97.8Very high0 Ų062.5 Ų62.50%033%0.326CS..EExtended strand (participates in β ladder)trans-108.8110.7176.8-54173.1000108.7L45 K49 A154 I156 L163 V172 L174L45-I161 HydrophobicContact CD1-CD1 3.87Å; L45-I161 HydrophobicContact CD1-CG2 4.17Å; L45-I161 HydrophobicContact CG-CD1 4.37Å; K49-I161 HydrophobicContact CB-CD1 4.09Å; A154-I161 HydrophobicContact CB-CG2 4.39Å; I156-I161 HydrophobicContact CD1-CG1 4.38Å; I156-I161 HydrophobicContact CG1-CG1 4.16Å; I156-I161 HydrophobicContact CG1-CG2 4.42Å; I156-I161 HydrophobicContact CG2-CG1 4.47Å; I161-L163 PolarHBondContact O-N 3.34Å; I161-V172 HydrophobicContact CB-CB 4.22Å; I161-V172 PolarHBondContact N-O 3.43Å; I161-V172 WeakPolarHBondContact O-CB 3.3Å; I161-V172 PolarHBondContact O-N 2.98Å; I161-L174 HydrophobicContact CD1-CD1 3.9Å
162W98.7Very high97.8Very high102 Ų10257.8 Ų57.839%0.38630%0.297SS..EExtended strand (participates in β ladder)trans-86.1102.6168.6-74.292.1000109.5A154 T155 E171A154-W162 VanDerWaalsContact CA-O 3.32Å; A154-W162 WeakPolarHBondContact CA-O 3.38Å; T155-W162 PolarHBondContact N-O 2.87Å; T155-W162 PolarHBondContact O-N 3.17Å; W162-E171 HydrophobicContact CD2-CB 4.35Å; W162-E171 HydrophobicContact CD2-CG 4.3Å; W162-E171 HydrophobicContact CE3-CB 4.07Å; W162-E171 HydrophobicContact CE3-CG 4.5Å; W162-E171 HydrophobicContact CH2-CB 3.82Å; W162-E171 HydrophobicContact CH2-CG 4.01Å; W162-E171 WeakPolarHBondContact CH2-OE2 3.46Å; W162-E171 HydrophobicContact CZ2-CB 4.1Å; W162-E171 HydrophobicContact CZ2-CG 3.77Å; W162-E171 WeakPolarHBondContact CZ2-OE2 3.23Å; W162-E171 HydrophobicContact CZ3-CB 3.8Å; W162-E171 HydrophobicContact CZ3-CG 4.37Å
163L98.8Very high97.8Very high2 Ų260.6 Ų60.61%0.0131%0.312CS..EExtended strand (participates in β ladder)trans-99.5128.2-179.8-177.367.1000110.4L48 F145 L152 A154 I161 N169 L170 V172L48-L163 HydrophobicContact CD1-CD1 3.82Å; F145-L163 HydrophobicContact CD1-CD2 4.41Å; F145-L163 HydrophobicContact CD1-CG 4.41Å; F145-L163 HydrophobicContact CD2-CD2 4.11Å; F145-L163 HydrophobicContact CE1-CG 4.29Å; F145-L163 HydrophobicContact CE2-CD2 4.33Å; F145-L163 HydrophobicContact CG-CD2 4.16Å; F145-L163 HydrophobicContact CZ-CG 4.42Å; L152-L163 HydrophobicContact CB-CD1 4.23Å; L152-L163 HydrophobicContact CD1-CD1 4.42Å; A154-L163 HydrophobicContact CB-CD1 4.46Å; I161-L163 PolarHBondContact O-N 3.34Å; L163-N169 PolarHBondContact O-OD1 2.89Å; L163-L170 PolarHBondContact N-O 3.25Å; L163-L170 PolarHBondContact O-N 2.66Å; L163-V172 HydrophobicContact CB-CG2 4.38Å
164S98.5Very high97.8Very high27 Ų2757.1 Ų57.119%0.18930%0.296CS..EExtended strand (participates in β ladder)trans-141.4156.1-18056.10000112.9L152 Q153 N168L152-S164 WeakPolarHBondContact CA-O 3.34Å; Q153-S164 PolarHBondContact N-O 3.18Å; Q153-S164 PolarHBondContact O-N 3.07Å; Q153-S164 PolarHBondContact O-OG 3.28Å; S164-N168 VanDerWaalsContact CA-O 3.25Å; S164-N168 WeakPolarHBondContact CA-O 3.43Å; S164-N168 WeakPolarHBondContact CB-O 3.16Å
165D98Very high97.7Very high42 Ų4260 Ų6023%0.22531%0.314CS..  trans-130.9-160.7169.666.516000109.5F145 L152 K167 N168F145-D165 HydrophobicContact CD1-CB 4.06Å; F145-D165 WeakPolarHBondContact CD1-OD2 3.45Å; F145-D165 HydrophobicContact CE1-CB 4.2Å; L152-D165 HydrophobicContact CD2-CB 4.09Å; D165-K167 PolarHBondContact O-N 2.88Å; D165-K167 WeakPolarHBondContact OD1-CA 3.36Å; D165-K167 PolarHBondContact OD1-N 3.4Å; D165-N168 PolarHBondContact N-O 3.05Å; D165-N168 WeakPolarHBondContact OD1-CB 3.13Å; D165-N168 PolarHBondContact OD1-N 3.28Å; D165-N168 PolarHBondContact OD1-ND2 3.49Å; D165-N168 PolarHBondContact OD2-ND2 3.28Å
166D96Very high97.6Very high137 Ų13760.2 Ų60.273%0.73332%0.32SS*.SBendtrans-70.8-11.7179.266.7-27.8000114.5
167K96.1Very high97.5Very high162 Ų16262.5 Ų62.570%0.70433%0.328SS*.SBendtrans-125.9-30.7-170.7-68.9164.3-166.6168.70113.6D165D165-K167 PolarHBondContact O-N 2.88Å; D165-K167 WeakPolarHBondContact OD1-CA 3.36Å; D165-K167 PolarHBondContact OD1-N 3.4Å
168N96.7Very high97.5Very high79 Ų7959 Ų5942%0.42231%0.312SS..  trans-131.3149.1-164.6-53.2-61.4000110.5F145 S164 D165F145-N168 HydrophobicContact CE1-CB 3.82Å; F145-N168 HydrophobicContact CZ-CB 3.74Å; S164-N168 VanDerWaalsContact CA-O 3.25Å; S164-N168 WeakPolarHBondContact CA-O 3.43Å; S164-N168 WeakPolarHBondContact CB-O 3.16Å; D165-N168 PolarHBondContact N-O 3.05Å; D165-N168 WeakPolarHBondContact OD1-CB 3.13Å; D165-N168 PolarHBondContact OD1-N 3.28Å; D165-N168 PolarHBondContact OD1-ND2 3.49Å; D165-N168 PolarHBondContact OD2-ND2 3.28Å
169N97.7Very high97.3Very high110 Ų11057.9 Ų57.959%0.58830%0.302SS*.EExtended strand (participates in β ladder)trans-132.6131.3167.7-175.513.8000108L163L163-N169 PolarHBondContact O-OD1 2.89Å
170L98.5Very high97.1Very high26 Ų2659 Ų5914%0.13630%0.303CS..EExtended strand (participates in β ladder)trans-135.2126.7-174.9176.867.3000109.9K141 V142 F145 L163 V172K141-L170 HydrophobicContact CB-CD1 3.8Å; K141-L170 HydrophobicContact CB-CD2 3.65Å; K141-L170 HydrophobicContact CB-CG 4.41Å; K141-L170 HydrophobicContact CD-CD1 3.75Å; K141-L170 HydrophobicContact CG-CD1 4.35Å; V142-L170 HydrophobicContact CB-CD2 4.48Å; V142-L170 HydrophobicContact CG2-CD2 3.72Å; F145-L170 HydrophobicContact CD2-CD2 4.38Å; F145-L170 HydrophobicContact CE2-CB 3.59Å; F145-L170 HydrophobicContact CE2-CD2 3.68Å; F145-L170 HydrophobicContact CE2-CG 4.27Å; F145-L170 HydrophobicContact CZ-CB 3.65Å; L163-L170 PolarHBondContact N-O 3.25Å; L163-L170 PolarHBondContact O-N 2.66Å; L170-V172 HydrophobicContact CD2-CG2 3.76Å; L170-V172 HydrophobicContact CG-CG2 3.84Å
171E98.5Very high95.8Very high85 Ų8565.9 Ų65.940%0.39735%0.353SS..EExtended strand (participates in β ladder)trans-81.3128.2165.4-166.2-173.114000109.6V160 W162 N173V160-E171 HydrophobicContact CG1-CG 3.51Å; W162-E171 HydrophobicContact CD2-CB 4.35Å; W162-E171 HydrophobicContact CD2-CG 4.3Å; W162-E171 HydrophobicContact CE3-CB 4.07Å; W162-E171 HydrophobicContact CE3-CG 4.5Å; W162-E171 HydrophobicContact CH2-CB 3.82Å; W162-E171 HydrophobicContact CH2-CG 4.01Å; W162-E171 WeakPolarHBondContact CH2-OE2 3.46Å; W162-E171 HydrophobicContact CZ2-CB 4.1Å; W162-E171 HydrophobicContact CZ2-CG 3.77Å; W162-E171 WeakPolarHBondContact CZ2-OE2 3.23Å; W162-E171 HydrophobicContact CZ3-CB 3.8Å; W162-E171 HydrophobicContact CZ3-CG 4.37Å; E171-N173 PolarHBondContact OE1-ND2 3.17Å
172V98.6Very high95.7Very high0 Ų069.2 Ų69.20%037%0.371CS..EExtended strand (participates in β ladder)trans-121.6120179.3-173.30000109.6L45 L134 V142 I161 L163 L170L45-V172 HydrophobicContact CD1-CG1 4.26Å; L45-V172 HydrophobicContact CD2-CG1 3.81Å; L134-V172 HydrophobicContact CD1-CG1 3.76Å; V142-V172 HydrophobicContact CG2-CG1 4.12Å; V142-V172 HydrophobicContact CG2-CG2 3.67Å; I161-V172 HydrophobicContact CB-CB 4.22Å; I161-V172 PolarHBondContact N-O 3.43Å; I161-V172 WeakPolarHBondContact O-CB 3.3Å; I161-V172 PolarHBondContact O-N 2.98Å; L163-V172 HydrophobicContact CB-CG2 4.38Å; L170-V172 HydrophobicContact CD2-CG2 3.76Å; L170-V172 HydrophobicContact CG-CG2 3.84Å
173N98.2Very high95.5Very high65 Ų6567.5 Ų67.535%0.34837%0.37SS..EExtended strand (participates in β ladder)trans-113.6104-178.3-74.4-76.2000109.9Q138 V160 E171Q138-N173 PolarHBondContact NE2-O 3Å; Q138-N173 PolarHBondContact OE1-O 3.11Å; V160-N173 WeakPolarHBondContact CG2-OD1 3.05Å; E171-N173 PolarHBondContact OE1-ND2 3.17Å
174L98Very high95.3Very high20 Ų2071.1 Ų71.111%0.10539%0.39CS..  trans-82.2126174-71.4163.8000109.8L45 K49 F105 W132 L134 I161 A176L45-L174 HydrophobicContact CD2-CD2 4.3Å; K49-L174 HydrophobicContact CD-CD1 3.58Å; F105-L174 HydrophobicContact CD1-CD2 4.28Å; F105-L174 HydrophobicContact CE1-CD1 3.85Å; F105-L174 HydrophobicContact CE1-CD2 4.35Å; W132-L174 HydrophobicContact CE3-CB 4.08Å; L134-L174 HydrophobicContact CB-CD2 3.93Å; L134-L174 HydrophobicContact CD1-CD2 3.87Å; L134-L174 HydrophobicContact CG-CD2 4.4Å; I161-L174 HydrophobicContact CD1-CD1 3.9Å; L174-A176 PolarHBondContact O-N 3.26Å
175T97.8Very high95.2Very high62 Ų6273.7 Ų73.738%0.3840%0.402SS..EExtended strand (participates in β ladder)trans-78.5122.2173.9-51.80000109.3W132 Y133 W177W132-T175 CarbonylContact C-O 3.6Å; W132-T175 WeakPolarHBondContact CA-O 3.41Å; Y133-T175 PolarHBondContact N-O 2.92Å; Y133-T175 PolarHBondContact O-N 3.37Å; T175-W177 PolarHBondContact O-N 3.35Å
176A97.2Very high95Very high46 Ų4675.7 Ų75.738%0.3841%0.413SS..EExtended strand (participates in β ladder)trans-81.1112.9170.800000109.7W132 L174 Q179W132-A176 HydrophobicContact CE3-CB 3.97Å; W132-A176 HydrophobicContact CH2-CB 4.32Å; W132-A176 HydrophobicContact CZ3-CB 3.62Å; L174-A176 PolarHBondContact O-N 3.26Å; A176-Q179 HydrophobicContact CB-CG 4.13Å
177W96.5Very high94.9Very high53 Ų5371.6 Ų71.620%0.20139%0.391CS..EExtended strand (participates in β ladder)trans-92.1-29.7173.6-76.8-4.1000113.1V112 W116 V131 Y133 T175V112-W177 HydrophobicContact CB-CH2 4.1Å; V112-W177 HydrophobicContact CG1-CH2 3.83Å; V112-W177 HydrophobicContact CG1-CZ2 4.5Å; V112-W177 HydrophobicContact CG2-CH2 3.29Å; V112-W177 HydrophobicContact CG2-CZ2 4.44Å; V112-W177 HydrophobicContact CG2-CZ3 3.36Å; W116-W177 HydrophobicContact CB-CE3 4.09Å; W116-W177 HydrophobicContact CB-CH2 3.91Å; W116-W177 HydrophobicContact CB-CZ3 3.48Å; W116-W177 VanDerWaalsContact CB-CZ3 3.48Å; W116-W177 HydrophobicContact CD2-CD2 4.21Å; W116-W177 AromaticContact CD2-CE3 3.45Å; W116-W177 HydrophobicContact CD2-CE3 3.45Å; W116-W177 VanDerWaalsContact CD2-CE3 3.45Å; W116-W177 AromaticContact CD2-CZ3 3.81Å; W116-W177 HydrophobicContact CD2-CZ3 3.81Å; W116-W177 AromaticContact CE2-CE3 3.84Å; W116-W177 AromaticContact CE3-CE3 3.77Å; W116-W177 HydrophobicContact CE3-CE3 3.77Å; W116-W177 HydrophobicContact CE3-CZ3 4.14Å; W116-W177 HydrophobicContact CG-CD2 4.29Å; W116-W177 AromaticContact CG-CE3 3.61Å; W116-W177 HydrophobicContact CG-CE3 3.61Å; W116-W177 HydrophobicContact CG-CH2 4.16Å; W116-W177 AromaticContact CG-CZ3 3.54Å; W116-W177 HydrophobicContact CG-CZ3 3.54Å; W116-W177 HydrophobicContact CH2-CB 4.11Å; W116-W177 HydrophobicContact CZ2-CB 3.66Å; W116-W177 HydrophobicContact CZ2-CE3 4.46Å; W116-W177 HydrophobicContact CZ2-CG 4.46Å; W116-W177 HydrophobicContact CZ3-CE3 4.38Å; V131-W177 HydrophobicContact CB-CB 4.31Å; V131-W177 HydrophobicContact CG1-CB 4.24Å; V131-W177 HydrophobicContact CG1-CE3 4.09Å; V131-W177 PolarHBondContact O-N 2.82Å; Y133-W177 AromaticContact CD1-CZ2 3.86Å; Y133-W177 HydrophobicContact CD1-CZ2 3.86Å; Y133-W177 AromaticContact CD1-NE1 3.99Å; Y133-W177 HydrophobicContact CD2-CH2 4.45Å; Y133-W177 HydrophobicContact CD2-CZ2 4.23Å; Y133-W177 HydrophobicContact CE1-CZ2 4.43Å; Y133-W177 AromaticContact CG-CE2 3.93Å; Y133-W177 HydrophobicContact CG-CH2 4.32Å; Y133-W177 AromaticContact CG-CZ2 3.73Å; Y133-W177 HydrophobicContact CG-CZ2 3.73Å; T175-W177 PolarHBondContact O-N 3.35Å
178Q96.4Very high94.8Very high23 Ų2365.1 Ų65.111%0.10737%0.369CS..EExtended strand (participates in β ladder)trans-149.6142.1173.5-179.4177.2-45.900108.5W116 C123 V124 F126 L129 S130 V131W116-Q178 HydrophobicContact CH2-CB 4.01Å; C123-Q178 PolarHBondContact O-NE2 2.81Å; C123-Q178 PolarHBondContact O-OE1 3.23Å; V124-Q178 VanDerWaalsContact N-OE1 3.14Å; F126-Q178 PolarHBondContact O-NE2 2.71Å; L129-Q178 PolarHBondContact O-NE2 2.67Å; S130-Q178 CarbonylContact C-O 3.28Å; S130-Q178 WeakPolarHBondContact CA-O 3.42Å; V131-Q178 HydrophobicContact CB-CB 4.07Å; V131-Q178 HydrophobicContact CG2-CB 4.04Å; V131-Q178 PolarHBondContact N-O 3.09Å; V131-Q178 PolarHBondContact O-N 3.08Å
179Q92.8Very high94.7Very high116 Ų11664.1 Ų64.154%0.54237%0.365SS..  trans-133.1152.7169.8-69-180-23.800108.7W132 A176 S181W132-Q179 HydrophobicContact CH2-CG 4.47Å; A176-Q179 HydrophobicContact CB-CG 4.13Å; Q179-S181 PolarHBondContact O-N 3.15Å
180P88.6Confident94.4Very high55 Ų5560.3 Ų60.336%0.35735%0.346SS..  trans-50.5137.6168.7-27.533.9000111A127 S130A127-P180 WeakPolarHBondContact O-CA 3.45Å; A127-P180 VanDerWaalsContact O-CB 3.3Å; A127-P180 WeakPolarHBondContact O-CB 3.34Å; S130-P180 WeakPolarHBondContact OG-CD 3.49Å
181S72.1Confident94.1Very high172 Ų17263.4 Ų63.4100%1.20337%0.365SS*.  trans-750175.859.40000112.5Q179Q179-S181 PolarHBondContact O-N 3.15Å

Retrieved 181 of 181 residues in 128.5 ms (Link to these results)

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