A0A077ZLB7_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZLB7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 746 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
1M42.1Very low69.1Low130 Ų13083 Ų8364%0.6440%0.403SS*.  01770-67.996.7151.500110.7E103M1-E103 WeakPolarHBondContact CE-OE1 3.36Å; M1-E103 VanDerWaalsContact CE-OE2 3.31Å; M1-E103 WeakPolarHBondContact CE-OE2 3.44Å
2R38.7Very low70.8Confident185 Ų18582.7 Ų82.770%0.69840%0.401SS*.  trans-89.9141.3146-77.7178.2168.1-171.9-6.1108.8M4 D94R2-M4 HydrophobicContact CB-CG 4.43Å; R2-D94 HydrophobicContact CB-CB 3.75Å; R2-D94 WeakPolarHBondContact O-CB 3.32Å; R2-D94 PolarHBondContact O-N 3.48Å
3I47.8Very low71.9Confident134 Ų13477 Ų7769%0.68737%0.374SS*.EExtended strand (participates in β ladder)trans-89.8129.6166.4-58.9176.8000105.9T91I3-T91 HydrophobicContact CG2-CG2 3.55Å
4M50.2Low72.5Confident64 Ų6473.6 Ų73.632%0.31536%0.358SS..EExtended strand (participates in β ladder)trans-130148177.4-59.2-166-60.700109.5R2 K6 T91 I92 D94R2-M4 HydrophobicContact CB-CG 4.43Å; M4-K6 PolarHBondContact O-N 3.49Å; M4-T91 CarbonylContact O-C 3.59Å; M4-T91 VanDerWaalsContact O-CA 3.27Å; M4-T91 WeakPolarHBondContact O-CA 3.42Å; M4-T91 WeakPolarHBondContact O-CB 3.43Å; M4-I92 PolarHBondContact N-O 3Å; M4-I92 PolarHBondContact O-N 3.24Å; M4-I92 VanDerWaalsContact O-O 3.06Å; M4-D94 HydrophobicContact CE-CB 3.8Å; M4-D94 VanDerWaalsContact CE-OD1 3.3Å; M4-D94 WeakPolarHBondContact CE-OD1 3.48Å; M4-D94 HydrophobicContact CG-CB 4.43Å; M4-D94 HydrophobicContact SD-CB 4.3Å
5N70.7Confident72.3Confident89 Ų8972.5 Ų72.548%0.47637%0.374SS..EExtended strand (participates in β ladder)trans-63133.4171.8-66.340.9000109.1Y7 V72N5-Y7 PolarHBondContact O-N 2.86Å; N5-V72 WeakPolarHBondContact O-CG1 3.2Å
6K75.5Confident72.5Confident47 Ų4779 Ų7920%0.20440%0.402CS..SBendtrans-58.6-34.1-179.5174.6174.8179.9178.50112.5M4 D71 V72 D90 I92M4-K6 PolarHBondContact O-N 3.49Å; K6-D71 CarbonylContact O-C 3.59Å; K6-D71 VanDerWaalsContact O-CA 3.23Å; K6-D71 WeakPolarHBondContact O-CA 3.41Å; K6-V72 PolarHBondContact O-N 2.87Å; K6-D90 HydrophobicContact CB-CB 3.77Å; K6-D90 WeakPolarHBondContact CB-O 3.33Å; K6-D90 HydrophobicContact CD-CB 3.42Å; K6-D90 VanDerWaalsContact CD-CB 3.42Å; K6-D90 VanDerWaalsContact CD-OD2 3.26Å; K6-D90 WeakPolarHBondContact CD-OD2 3.48Å; K6-D90 WeakPolarHBondContact CE-OD2 3.36Å; K6-D90 HydrophobicContact CG-CB 4.27Å; K6-D90 PolarHBondContact N-O 3.42Å; K6-D90 IonicContact NZ-OD2 2.72Å; K6-D90 PolarHBondContact NZ-OD2 2.79Å; K6-I92 HydrophobicContact CB-CD1 4.17Å; K6-I92 HydrophobicContact CB-CG1 4.02Å; K6-I92 HydrophobicContact CD-CD1 4.37Å; K6-I92 HydrophobicContact CD-CG1 4.46Å; K6-I92 HydrophobicContact CG-CD1 3.71Å; K6-I92 HydrophobicContact CG-CG1 4.03Å
7Y82.8Confident72.9Confident17 Ų1777.7 Ų77.77%0.06740%0.397CS..EExtended strand (participates in β ladder)trans-102.1130.5-179.2-58.9-74.7000111.2N5 A69 Q70 E77 M79 W84 R87 D90N5-Y7 PolarHBondContact O-N 2.86Å; Y7-A69 HydrophobicContact CD1-CB 3.54Å; Y7-A69 HydrophobicContact CE1-CB 3.82Å; Y7-A69 HydrophobicContact CG-CB 4.24Å; Y7-Q70 WeakPolarHBondContact CA-O 3.43Å; Y7-E77 VanDerWaalsContact CE1-OE2 3.28Å; Y7-E77 WeakPolarHBondContact CE1-OE2 3.15Å; Y7-E77 VanDerWaalsContact CZ-OE2 3.31Å; Y7-E77 PolarHBondContact OH-OE2 3.46Å; Y7-M79 HydrophobicContact CE1-CE 3.91Å; Y7-W84 HydrophobicContact CD1-CZ3 4.27Å; Y7-W84 HydrophobicContact CD2-CH2 4.31Å; Y7-W84 AromaticContact CD2-CZ3 3.75Å; Y7-W84 HydrophobicContact CD2-CZ3 3.75Å; Y7-W84 HydrophobicContact CE2-CZ3 4.21Å; Y7-W84 HydrophobicContact CG-CH2 4.18Å; Y7-W84 AromaticContact CG-CZ3 3.78Å; Y7-W84 HydrophobicContact CG-CZ3 3.78Å; Y7-R87 HydrophobicContact CE2-CB 4.32Å; Y7-R87 VanDerWaalsContact CE2-O 3.24Å; Y7-R87 WeakPolarHBondContact CE2-O 3.38Å; Y7-R87 PolarHBondContact OH-NE 3.06Å; Y7-R87 PolarHBondContact OH-NH2 2.66Å; Y7-D90 HydrophobicContact CE2-CB 4.15Å
8K81.7Confident73.1Confident108 Ų10875.5 Ų75.547%0.4739%0.385SS..EExtended strand (participates in β ladder)trans-100.4-19178.269.5-179175.8-126.70113.7Q70 D71 V72K8-Q70 PolarHBondContact N-O 3.48Å; K8-D71 WeakPolarHBondContact CD-O 3.4Å; K8-D71 VanDerWaalsContact CE-O 3.22Å; K8-D71 WeakPolarHBondContact CE-O 3.47Å; K8-D71 PolarHBondContact NZ-O 3.39Å; K8-V72 PolarHBondContact NZ-O 3.17Å
9T88.5Confident73.3Confident65 Ų6580.4 Ų80.440%0.39940%0.404SS..EExtended strand (participates in β ladder)trans-159.3157.3174.1-174.80000110.6Q70 W76T9-Q70 HydrophobicContact CG2-CB 3.66Å; T9-Q70 PolarHBondContact O-N 2.94Å; T9-W76 HydrophobicContact CG2-CH2 4.36Å
10S91.8Very high73.8Confident55 Ų5578.2 Ų78.239%0.38540%0.398SS..EExtended strand (participates in β ladder)trans-151135.2-176.856.90000111L68S10-L68 CarbonylContact C-O 3.56Å; S10-L68 WeakPolarHBondContact CA-O 3.43Å
11I90.5Very high74.3Confident19 Ų1974.7 Ų74.710%0.09738%0.38CS..EExtended strand (participates in β ladder)trans-118.4114.3178-51.9170.3000108.7N17 A20 L21 C24 L68 W76I11-N17 HydrophobicContact CG2-CB 4.06Å; I11-A20 HydrophobicContact CD1-CB 4.03Å; I11-A20 HydrophobicContact CG1-CB 4.36Å; I11-A20 HydrophobicContact CG2-CB 3.98Å; I11-L21 HydrophobicContact CG2-CD2 3.68Å; I11-L21 HydrophobicContact CG2-CG 4.19Å; I11-C24 HydrophobicContact CD1-CB 4.07Å; I11-L68 HydrophobicContact CB-CB 4.45Å; I11-L68 PolarHBondContact N-O 2.87Å; I11-L68 PolarHBondContact O-N 2.82Å; I11-W76 HydrophobicContact CD1-CH2 3.7Å; I11-W76 HydrophobicContact CD1-CZ3 3.88Å; I11-W76 HydrophobicContact CG1-CH2 4.31Å; I11-W76 HydrophobicContact CG1-CZ3 4.26Å
12E89.6Confident76.1Confident79 Ų7975 Ų7537%0.36938%0.379SS..EExtended strand (participates in β ladder)trans-76.4132.9172.5-163.6-133.114000110.3N14 N17 V67E12-N14 VanDerWaalsContact C-N 3.33Å; E12-N14 PolarHBondContact O-N 3.39Å; E12-N14 PolarHBondContact OE2-ND2 2.6Å; E12-N17 WeakPolarHBondContact O-CB 3.44Å; E12-N17 PolarHBondContact O-ND2 3.09Å; E12-V67 HydrophobicContact CG-CG2 4.45Å
13V84.6Confident78.2Confident9 Ų972.6 Ų72.66%0.05538%0.379CS..  trans-8081.6-178.9-177.90000109.9L21 V50 V62 R64 G65 S66 L68V13-L21 HydrophobicContact CG1-CD1 4.26Å; V13-L21 HydrophobicContact CG2-CD2 4.02Å; V13-V50 HydrophobicContact CG1-CB 4.43Å; V13-V50 HydrophobicContact CG1-CG2 4.02Å; V13-V62 HydrophobicContact CB-CG1 4.49Å; V13-V62 HydrophobicContact CG1-CG1 4.48Å; V13-V62 HydrophobicContact CG2-CG1 3.84Å; V13-R64 CarbonylContact O-C 3.6Å; V13-R64 VanDerWaalsContact O-CA 3.28Å; V13-R64 WeakPolarHBondContact O-CA 3.44Å; V13-G65 PolarHBondContact O-N 3.34Å; V13-S66 WeakPolarHBondContact CB-O 3.46Å; V13-S66 WeakPolarHBondContact CG2-O 3.3Å; V13-S66 PolarHBondContact N-O 3.28Å; V13-L68 HydrophobicContact CG2-CD1 4.35Å; V13-L68 HydrophobicContact CG2-CG 4.08Å
14N81.2Confident79.9Confident29 Ų2966.4 Ų66.416%0.15535%0.348CS..SBendtrans-127.5-178.617872.332.8000111.9E12 E16 N17E12-N14 VanDerWaalsContact C-N 3.33Å; E12-N14 PolarHBondContact O-N 3.39Å; E12-N14 PolarHBondContact OE2-ND2 2.6Å; N14-E16 VanDerWaalsContact C-N 3.31Å; N14-E16 PolarHBondContact O-N 3.28Å; N14-E16 WeakPolarHBondContact OD1-CA 3.4Å; N14-E16 PolarHBondContact OD1-N 2.65Å; N14-N17 PolarHBondContact ND2-ND2 3.25Å; N14-N17 WeakPolarHBondContact OD1-CB 3.49Å; N14-N17 PolarHBondContact OD1-N 2.71Å
15G68.9Low81.6Confident58 Ų5868.3 Ų68.360%0.59837%0.365SS*.SBendtrans-77.2-11.7-177.600000115.3I18G15-I18 WeakPolarHBondContact O-CD1 3.38Å; G15-I18 WeakPolarHBondContact O-CG1 3.46Å
16E75.5Confident82.3Confident176 Ų17665.3 Ų65.382%0.82235%0.349SS*.SBendtrans-95.8-40-175.3-57.4-178.4162.700110.1N14 I18N14-E16 VanDerWaalsContact C-N 3.31Å; N14-E16 PolarHBondContact O-N 3.28Å; N14-E16 WeakPolarHBondContact OD1-CA 3.4Å; N14-E16 PolarHBondContact OD1-N 2.65Å; E16-I18 PolarHBondContact O-N 2.84Å; E16-I18 VanDerWaalsContact O-N 3.12Å
17N79.6Confident82.9Confident57 Ų5764.3 Ų64.331%0.30535%0.347SS..THydrogen-bonded Turntrans-75.28.1179.3-68.9-22.8000114.9I11 E12 N14 K19 A20 L21I11-N17 HydrophobicContact CG2-CB 4.06Å; E12-N17 WeakPolarHBondContact O-CB 3.44Å; E12-N17 PolarHBondContact O-ND2 3.09Å; N14-N17 PolarHBondContact ND2-ND2 3.25Å; N14-N17 WeakPolarHBondContact OD1-CB 3.49Å; N14-N17 PolarHBondContact OD1-N 2.71Å; N17-K19 PolarHBondContact O-N 3.13Å; N17-A20 PolarHBondContact O-N 3.41Å; N17-L21 PolarHBondContact O-N 3.05Å; N17-L21 VanDerWaalsContact O-N 3.1Å
18I75.4Confident83Confident38 Ų3866.9 Ų66.920%0.19536%0.364CS..Hα-helixtrans-52.3-36.6-174.1-70.4174000113.1G15 E16 L21 F22 Y48G15-I18 WeakPolarHBondContact O-CD1 3.38Å; G15-I18 WeakPolarHBondContact O-CG1 3.46Å; E16-I18 PolarHBondContact O-N 2.84Å; E16-I18 VanDerWaalsContact O-N 3.12Å; I18-L21 PolarHBondContact O-N 2.71Å; I18-F22 HydrophobicContact CG2-CD2 4.14Å; I18-F22 HydrophobicContact CG2-CE2 3.86Å; I18-F22 VanDerWaalsContact O-CD2 3.29Å; I18-F22 WeakPolarHBondContact O-CD2 3.3Å; I18-F22 PolarHBondContact O-N 3.19Å; I18-Y48 HydrophobicContact CD1-CD2 3.48Å; I18-Y48 VanDerWaalsContact CD1-CD2 3.48Å; I18-Y48 HydrophobicContact CD1-CE2 3.41Å; I18-Y48 VanDerWaalsContact CD1-CE2 3.41Å; I18-Y48 HydrophobicContact CG1-CD2 4.46Å
19K78.4Confident83.1Confident169 Ų16964.8 Ų64.874%0.73536%0.358SS*.Hα-helixtrans-62.8-52.4175.2-73-174.1175.9-176.90112N17 L21 F22 D23N17-K19 PolarHBondContact O-N 3.13Å; K19-L21 PolarHBondContact O-N 2.73Å; K19-L21 VanDerWaalsContact O-N 3.15Å; K19-F22 WeakPolarHBondContact O-CB 3.42Å; K19-F22 PolarHBondContact O-N 3.16Å; K19-D23 PolarHBondContact O-N 2.9Å
20A83Confident82.7Confident36 Ų3662.9 Ų62.930%0.29835%0.345SS..Hα-helixtrans-59.6-28.2178.600000112.5I11 N17 D23 C24I11-A20 HydrophobicContact CD1-CB 4.03Å; I11-A20 HydrophobicContact CG1-CB 4.36Å; I11-A20 HydrophobicContact CG2-CB 3.98Å; N17-A20 PolarHBondContact O-N 3.41Å; A20-D23 PolarHBondContact O-N 3.37Å; A20-C24 WeakPolarHBondContact O-CB 3.36Å; A20-C24 PolarHBondContact O-N 3.3Å; A20-C24 VanDerWaalsContact O-N 3.1Å
21L83.6Confident81.7Confident4 Ų466.1 Ų66.12%0.02135%0.352CS..Hα-helixtrans-70.9-29.6172.6-62.4174.1000113.5I11 V13 N17 I18 K19 V27 I30 V50 L68I11-L21 HydrophobicContact CG2-CD2 3.68Å; I11-L21 HydrophobicContact CG2-CG 4.19Å; V13-L21 HydrophobicContact CG1-CD1 4.26Å; V13-L21 HydrophobicContact CG2-CD2 4.02Å; N17-L21 PolarHBondContact O-N 3.05Å; N17-L21 VanDerWaalsContact O-N 3.1Å; I18-L21 PolarHBondContact O-N 2.71Å; K19-L21 PolarHBondContact O-N 2.73Å; K19-L21 VanDerWaalsContact O-N 3.15Å; L21-V27 VanDerWaalsContact O-CB 3.29Å; L21-V27 WeakPolarHBondContact O-CB 3.2Å; L21-V27 WeakPolarHBondContact O-CG1 3.45Å; L21-V27 WeakPolarHBondContact O-CG2 3.42Å; L21-I30 HydrophobicContact CB-CD1 3.92Å; L21-V50 HydrophobicContact CD1-CG2 4.24Å; L21-L68 HydrophobicContact CD2-CD1 3.64Å
22F80.1Confident80.4Confident138 Ų13871 Ų7161%0.60537%0.373SS*.Hα-helixtrans-72.2-32.6171.1-83.4-74.5000112.4I18 K19 I30I18-F22 HydrophobicContact CG2-CD2 4.14Å; I18-F22 HydrophobicContact CG2-CE2 3.86Å; I18-F22 VanDerWaalsContact O-CD2 3.29Å; I18-F22 WeakPolarHBondContact O-CD2 3.3Å; I18-F22 PolarHBondContact O-N 3.19Å; K19-F22 WeakPolarHBondContact O-CB 3.42Å; K19-F22 PolarHBondContact O-N 3.16Å; F22-I30 HydrophobicContact CD1-CD1 3.91Å; F22-I30 HydrophobicContact CD2-CD1 3.93Å; F22-I30 HydrophobicContact CE1-CB 4.32Å; F22-I30 HydrophobicContact CE1-CD1 3.96Å; F22-I30 HydrophobicContact CE2-CD1 3.98Å; F22-I30 HydrophobicContact CG-CD1 3.89Å; F22-I30 HydrophobicContact CZ-CB 4.13Å; F22-I30 HydrophobicContact CZ-CD1 3.99Å; F22-I30 HydrophobicContact CZ-CG2 4.34Å
23D82.1Confident78.9Confident133 Ų13369.8 Ų69.871%0.71138%0.376SS*.Hα-helixtrans-85.9-7-179.8-58.5-48000113.1K19 A20 P25K19-D23 PolarHBondContact O-N 2.9Å; A20-D23 PolarHBondContact O-N 3.37Å; D23-P25 WeakPolarHBondContact O-CD 3.42Å
24C84.9Confident76.9Confident4 Ų473.9 Ų73.93%0.02740%0.401CS..  trans-77.8117.2-178.2-176.50000111.8I11 A20 I26 V27I11-C24 HydrophobicContact CD1-CB 4.07Å; A20-C24 WeakPolarHBondContact O-CB 3.36Å; A20-C24 PolarHBondContact O-N 3.3Å; A20-C24 VanDerWaalsContact O-N 3.1Å; C24-I26 PolarHBondContact O-N 3.16Å; C24-V27 HydrophobicContact CB-CB 4.43Å; C24-V27 HydrophobicContact CB-CG2 3.82Å; C24-V27 PolarHBondContact O-N 2.98Å
25P84.4Confident75Confident104 Ų10480.9 Ų80.968%0.67544%0.439SS*.THydrogen-bonded Turntrans-61.8-18.9-169.8-27.235.7000117D23D23-P25 WeakPolarHBondContact O-CD 3.42Å
26I87Confident73.4Confident27 Ų2782.8 Ų82.814%0.13845%0.449CS..THydrogen-bonded Turntrans-91.6-10.4176.955.8158.5000113.7C24 A52 V53 L68 W76 I78C24-I26 PolarHBondContact O-N 3.16Å; I26-A52 HydrophobicContact CD1-CB 4.34Å; I26-A52 CarbonylContact O-C 3.51Å; I26-A52 WeakPolarHBondContact O-CA 3.26Å; I26-A52 WeakPolarHBondContact O-CB 3.45Å; I26-V53 PolarHBondContact O-N 2.9Å; I26-L68 HydrophobicContact CD1-CD2 4.08Å; I26-W76 HydrophobicContact CB-CB 4.47Å; I26-W76 HydrophobicContact CD1-CB 3.6Å; I26-W76 HydrophobicContact CD1-CG 4.35Å; I26-W76 HydrophobicContact CG1-CB 3.88Å; I26-W76 HydrophobicContact CG1-CD2 4.48Å; I26-W76 HydrophobicContact CG1-CG 4.17Å; I26-W76 HydrophobicContact CG2-CB 3.78Å; I26-W76 HydrophobicContact CG2-CG 4.22Å; I26-I78 HydrophobicContact CD1-CD1 4.34Å; I26-I78 HydrophobicContact CD1-CG1 3.86Å
27V87.3Confident71.5Confident26 Ų2681.1 Ų81.116%0.15845%0.451CS..EExtended strand (participates in β ladder)trans-78.7128.7177.6178.40000109.4L21 C24 I30 V50 A52 L68L21-V27 VanDerWaalsContact O-CB 3.29Å; L21-V27 WeakPolarHBondContact O-CB 3.2Å; L21-V27 WeakPolarHBondContact O-CG1 3.45Å; L21-V27 WeakPolarHBondContact O-CG2 3.42Å; C24-V27 HydrophobicContact CB-CB 4.43Å; C24-V27 HydrophobicContact CB-CG2 3.82Å; C24-V27 PolarHBondContact O-N 2.98Å; V27-I30 HydrophobicContact CG1-CD1 3.94Å; V27-I30 HydrophobicContact CG1-CG1 3.7Å; V27-V50 HydrophobicContact CG1-CG1 3.99Å; V27-V50 HydrophobicContact CG2-CG1 4.26Å; V27-A52 HydrophobicContact CG2-CB 4.35Å; V27-L68 HydrophobicContact CG2-CD1 3.75Å
28T86Confident69.4Low70 Ų7085.7 Ų85.743%0.42948%0.475SS..EExtended strand (participates in β ladder)trans-116.4-21.3-172.453.60000114T51 V53 H59T28-T51 PolarHBondContact N-O 3Å; T28-T51 PolarHBondContact OG1-O 3.26Å; T28-V53 HydrophobicContact CG2-CG2 3.61Å; T28-H59 PolarHBondContact OG1-ND1 3.35Å; T28-H59 VanDerWaalsContact OG1-ND1 3.12Å
29D82.4Confident67.5Low65 Ų6590.8 Ų90.835%0.34850%0.503SS..EExtended strand (participates in β ladder)trans-157.1142.4175.3-157.2-21.1000110.6K31 T51D29-K31 WeakPolarHBondContact OD1-CG 3.5Å; D29-K31 WeakPolarHBondContact OD2-CE 3.31Å; D29-K31 IonicContact OD2-NZ 3.33Å; D29-T51 PolarHBondContact N-O 3.34Å; D29-T51 PolarHBondContact O-N 3.38Å
30I80.1Confident65.5Low25 Ų2587 Ų8713%0.12851%0.511CS..EExtended strand (participates in β ladder)trans-13490.9173.9-58.4174000107.5L21 F22 V27 Y48 S49 V50L21-I30 HydrophobicContact CB-CD1 3.92Å; F22-I30 HydrophobicContact CD1-CD1 3.91Å; F22-I30 HydrophobicContact CD2-CD1 3.93Å; F22-I30 HydrophobicContact CE1-CB 4.32Å; F22-I30 HydrophobicContact CE1-CD1 3.96Å; F22-I30 HydrophobicContact CE2-CD1 3.98Å; F22-I30 HydrophobicContact CG-CD1 3.89Å; F22-I30 HydrophobicContact CZ-CB 4.13Å; F22-I30 HydrophobicContact CZ-CD1 3.99Å; F22-I30 HydrophobicContact CZ-CG2 4.34Å; V27-I30 HydrophobicContact CG1-CD1 3.94Å; V27-I30 HydrophobicContact CG1-CG1 3.7Å; I30-Y48 HydrophobicContact CG2-CD1 3.98Å; I30-Y48 HydrophobicContact CG2-CG 4.2Å; I30-S49 WeakPolarHBondContact CA-O 3.35Å; I30-V50 HydrophobicContact CG1-CG2 4.46Å
31K71.2Confident63.2Low122 Ų12292.7 Ų92.753%0.5354%0.536SS..EExtended strand (participates in β ladder)trans-89.8131.4-178.9-59.6-169.4-173.3-176.20110.8D29 Y48 S49D29-K31 WeakPolarHBondContact OD1-CG 3.5Å; D29-K31 WeakPolarHBondContact OD2-CE 3.31Å; D29-K31 IonicContact OD2-NZ 3.33Å; K31-Y48 CarbonylContact O-C 3.56Å; K31-Y48 WeakPolarHBondContact O-CA 3.21Å; K31-S49 PolarHBondContact N-O 3.07Å; K31-S49 PolarHBondContact O-N 2.92Å
32K64.1Low60.9Low122 Ų12299.5 Ų99.553%0.5357%0.572SS.*EExtended strand (participates in β ladder)trans-66.6135.8171.1-159.1168.9-169.4172.60110.1T34 L47 Y48K32-T34 PolarHBondContact O-N 2.77Å; K32-L47 WeakPolarHBondContact CA-O 3.48Å; K32-L47 WeakPolarHBondContact CG-O 3.3Å; K32-Y48 HydrophobicContact CB-CD1 3.91Å; K32-Y48 HydrophobicContact CB-CE1 3.76Å; K32-Y48 HydrophobicContact CD-CE1 3.97Å; K32-Y48 HydrophobicContact CG-CD1 4.02Å; K32-Y48 HydrophobicContact CG-CE1 3.6Å
33A56.7Low58.7Low53 Ų5399.4 Ų99.444%0.43858%0.583SS.*SBendtrans-80.860.2-174.700000112M46 L47A33-M46 HydrophobicContact CB-CB 4.31Å; A33-M46 WeakPolarHBondContact CB-O 3.49Å; A33-L47 PolarHBondContact N-O 2.96Å
34T43.1Very low56.5Low95 Ų9598.1 Ų98.158%0.58358%0.58SS**  trans-143.591.6177.252.30000108.9K32K32-T34 PolarHBondContact O-N 2.77Å
35D40.7Very low54.5Low176 Ų176103.6 Ų103.694%0.94161%0.609SS**SBendtrans170.138.8157.2-87.3-14.6000111.4
36A36.9Very low52.6Low99 Ų99104.1 Ų104.182%0.81860%0.604SS**  trans-130.9100.3176.900000110
37V34.3Very low51.1Low140 Ų140108.6 Ų108.685%0.84863%0.627SS**  trans-122.883.3172.2-178.40000107.9
38D34.9Very low50Low154 Ų154110.8 Ų110.882%0.82463%0.633SS**  trans-165.4161.6157.1-103.7-30.4000109.9
39D36.1Very low49.2Very low145 Ų145108.9 Ų108.978%0.77562%0.623SS**SBendtrans54.853.9165.4-65.6-19.3000119.3L41D39-L41 VanDerWaalsContact C-N 3.34Å; D39-L41 PolarHBondContact O-N 3.41Å
40G37.6Very low49.1Very low88 Ų88106.1 Ų106.191%0.90761%0.608SS**  68.311.2129.100000120.1
41L32.9Very low49.3Very low156 Ų156106.5 Ų106.582%0.81761%0.612SS**  trans-80.9145.8174.1-79.2160.6000112.2D39 V43D39-L41 VanDerWaalsContact C-N 3.34Å; D39-L41 PolarHBondContact O-N 3.41Å; L41-V43 WeakPolarHBondContact O-CG2 3.47Å; L41-V43 PolarHBondContact O-N 3.16Å
42D37Very low50Low147 Ų147100.7 Ų100.779%0.78659%0.586SS**  trans-68.3121.7-176.1-167.94.9000111.6T44D42-T44 PolarHBondContact O-N 3.09Å
43V33.1Very low50.9Low136 Ų13696.5 Ų96.582%0.82457%0.571SS**  trans-97.182.7-168.1-170.90000110.5L41L41-V43 WeakPolarHBondContact O-CG2 3.47Å; L41-V43 PolarHBondContact O-N 3.16Å
44T36.8Very low51.8Low106 Ų10696.5 Ų96.565%0.6556%0.564SS**  trans-118.9119.8167.943.50000112.1D42 M46D42-T44 PolarHBondContact O-N 3.09Å; T44-M46 PolarHBondContact O-N 3.08Å
45D42.4Very low53Low119 Ų11998 Ų9864%0.63657%0.565SS**SBendtrans46.357.6158.8-53.7-4.3000120.1R64D45-R64 PolarHBondContact O-NH1 2.99Å; D45-R64 IonicContact OD2-NH1 2.87Å
46M44.2Very low54.5Low115 Ų11593.9 Ų93.957%0.56756%0.556SS**  trans-112.8123.3146.2-67.2-158.8-165.300110.5A33 T44A33-M46 HydrophobicContact CB-CB 4.31Å; A33-M46 WeakPolarHBondContact CB-O 3.49Å; T44-M46 PolarHBondContact O-N 3.08Å
47L56.2Low56.2Low121 Ų12191.7 Ų91.763%0.63454%0.543SS*.SBendtrans-95.1-24.1167.7-130.281.8000112K32 A33K32-L47 WeakPolarHBondContact CA-O 3.48Å; K32-L47 WeakPolarHBondContact CG-O 3.3Å; A33-L47 PolarHBondContact N-O 2.96Å
48Y62.5Low58.3Low73 Ų7387.2 Ų87.229%0.28652%0.521SS..EExtended strand (participates in β ladder)trans-145.5154179.2-58.5-88.1000110.7I18 I30 K31 K32I18-Y48 HydrophobicContact CD1-CD2 3.48Å; I18-Y48 VanDerWaalsContact CD1-CD2 3.48Å; I18-Y48 HydrophobicContact CD1-CE2 3.41Å; I18-Y48 VanDerWaalsContact CD1-CE2 3.41Å; I18-Y48 HydrophobicContact CG1-CD2 4.46Å; I30-Y48 HydrophobicContact CG2-CD1 3.98Å; I30-Y48 HydrophobicContact CG2-CG 4.2Å; K31-Y48 CarbonylContact O-C 3.56Å; K31-Y48 WeakPolarHBondContact O-CA 3.21Å; K32-Y48 HydrophobicContact CB-CD1 3.91Å; K32-Y48 HydrophobicContact CB-CE1 3.76Å; K32-Y48 HydrophobicContact CD-CE1 3.97Å; K32-Y48 HydrophobicContact CG-CD1 4.02Å; K32-Y48 HydrophobicContact CG-CE1 3.6Å
49S71Confident60.6Low30 Ų3086 Ų8621%0.2151%0.51CS..EExtended strand (participates in β ladder)trans-116.3135.2167.165.20000109.5I30 K31I30-S49 WeakPolarHBondContact CA-O 3.35Å; K31-S49 PolarHBondContact N-O 3.07Å; K31-S49 PolarHBondContact O-N 2.92Å
50V79.9Confident62.8Low7 Ų784.4 Ų84.44%0.04250%0.496CS..EExtended strand (participates in β ladder)trans-110.6135.9-173.4-179.20000109.6V13 L21 V27 I30 V62V13-V50 HydrophobicContact CG1-CB 4.43Å; V13-V50 HydrophobicContact CG1-CG2 4.02Å; L21-V50 HydrophobicContact CD1-CG2 4.24Å; V27-V50 HydrophobicContact CG1-CG1 3.99Å; V27-V50 HydrophobicContact CG2-CG1 4.26Å; I30-V50 HydrophobicContact CG1-CG2 4.46Å; V50-V62 HydrophobicContact CB-CB 4.32Å; V50-V62 HydrophobicContact CG1-CB 4.41Å; V50-V62 HydrophobicContact CG1-CG2 4.46Å; V50-V62 PolarHBondContact O-N 3.33Å
51T84.5Confident64.9Low32 Ų3287.1 Ų87.120%0.19649%0.485CS..EExtended strand (participates in β ladder)trans-121.9118.5175.7-51.20000109.6T28 D29 H59T28-T51 PolarHBondContact N-O 3Å; T28-T51 PolarHBondContact OG1-O 3.26Å; D29-T51 PolarHBondContact N-O 3.34Å; D29-T51 PolarHBondContact O-N 3.38Å; T51-H59 HydrophobicContact CG2-CB 4.02Å
52A84.8Confident67.3Low0 Ų080.3 Ų80.30%045%0.45CS..EExtended strand (participates in β ladder)trans-124.3153.3-178.900000111.9I26 V27 K60 V62 I78I26-A52 HydrophobicContact CD1-CB 4.34Å; I26-A52 CarbonylContact O-C 3.51Å; I26-A52 WeakPolarHBondContact O-CA 3.26Å; I26-A52 WeakPolarHBondContact O-CB 3.45Å; V27-A52 HydrophobicContact CG2-CB 4.35Å; A52-K60 PolarHBondContact N-O 2.8Å; A52-K60 PolarHBondContact O-N 3.23Å; A52-V62 HydrophobicContact CB-CG2 3.74Å; A52-I78 HydrophobicContact CB-CD1 3.82Å
53V83.1Confident69.4Low34 Ų3481.1 Ų81.121%0.20645%0.447CS..EExtended strand (participates in β ladder)trans-91.2130177.2169.70000109.9I26 T28 A58 H59I26-V53 PolarHBondContact O-N 2.9Å; T28-V53 HydrophobicContact CG2-CG2 3.61Å; V53-A58 WeakPolarHBondContact CA-O 3.27Å; V53-H59 WeakPolarHBondContact CG2-ND1 3.5Å
54N76.7Confident71.5Confident54 Ų5481.9 Ų81.929%0.28944%0.435SS..  trans-84.7173.9174.5741.9000112.1A56 G57 A58 I78N54-A56 PolarHBondContact O-N 2.99Å; N54-A56 WeakPolarHBondContact OD1-CA 3.36Å; N54-A56 WeakPolarHBondContact OD1-CB 3.45Å; N54-A56 PolarHBondContact OD1-N 3.29Å; N54-G57 PolarHBondContact O-N 3.42Å; N54-G57 PolarHBondContact OD1-N 2.81Å; N54-A58 PolarHBondContact N-O 3.03Å; N54-A58 WeakPolarHBondContact OD1-CB 3.5Å; N54-A58 PolarHBondContact OD1-N 3.08Å; N54-A58 PolarHBondContact OD1-O 2.93Å; N54-I78 HydrophobicContact CB-CD1 4.24Å
55M66.7Low73.7Confident125 Ų12577.8 Ų77.862%0.61641%0.413SS*.THydrogen-bonded Turntrans-58.1-17.9177.5-64.9-165.4-71.400114.8G57 E77M55-G57 VanDerWaalsContact C-N 3.33Å; M55-E77 HydrophobicContact CE-CG 4.1Å
56A71.9Confident75.9Confident90 Ų9072.7 Ų72.774%0.74439%0.387SS*.THydrogen-bonded Turntrans-88.96174.900000113.6N54 A58N54-A56 PolarHBondContact O-N 2.99Å; N54-A56 WeakPolarHBondContact OD1-CA 3.36Å; N54-A56 WeakPolarHBondContact OD1-CB 3.45Å; N54-A56 PolarHBondContact OD1-N 3.29Å; A56-A58 VanDerWaalsContact C-N 3.25Å; A56-A58 PolarHBondContact O-N 2.74Å
57G74.6Confident78.1Confident53 Ų5367.5 Ų67.555%0.54636%0.362SS..SBendtrans75.77.5-177.400000114.5N54 M55N54-G57 PolarHBondContact O-N 3.42Å; N54-G57 PolarHBondContact OD1-N 2.81Å; M55-G57 VanDerWaalsContact C-N 3.33Å
58A77.9Confident79.8Confident47 Ų4761.8 Ų61.839%0.38833%0.332SS..  trans-90.1128.6-179.200000111.2V53 N54 A56 K60V53-A58 WeakPolarHBondContact CA-O 3.27Å; N54-A58 PolarHBondContact N-O 3.03Å; N54-A58 WeakPolarHBondContact OD1-CB 3.5Å; N54-A58 PolarHBondContact OD1-N 3.08Å; N54-A58 PolarHBondContact OD1-O 2.93Å; A56-A58 VanDerWaalsContact C-N 3.25Å; A56-A58 PolarHBondContact O-N 2.74Å; A58-K60 PolarHBondContact O-N 3.06Å
59H82.8Confident81.1Confident128 Ų12858.3 Ų58.359%0.59332%0.318SS*.EExtended strand (participates in β ladder)trans-67.5125.6169.5-62.7-97000109.8T28 T51 V53T28-H59 PolarHBondContact OG1-ND1 3.35Å; T28-H59 VanDerWaalsContact OG1-ND1 3.12Å; T51-H59 HydrophobicContact CG2-CB 4.02Å; V53-H59 WeakPolarHBondContact CG2-ND1 3.5Å
60K81.5Confident81.8Confident111 Ų11158.7 Ų58.748%0.48332%0.317SS..EExtended strand (participates in β ladder)trans-124132.3179.6-164.8-179.7-178.5-171.50108.4A52 A58A52-K60 PolarHBondContact N-O 2.8Å; A52-K60 PolarHBondContact O-N 3.23Å; A58-K60 PolarHBondContact O-N 3.06Å
61Q82.9Confident81.8Confident146 Ų14659.7 Ų59.768%0.68232%0.322SS*.EExtended strand (participates in β ladder)trans-74129171.9-155.7179.12900108.5
62V82.4Confident81Confident12 Ų1260.5 Ų60.57%0.07333%0.327CS..EExtended strand (participates in β ladder)trans-102.3129.9-172.1-168.20000109.5V13 V50 A52 S66 L68 I78V13-V62 HydrophobicContact CB-CG1 4.49Å; V13-V62 HydrophobicContact CG1-CG1 4.48Å; V13-V62 HydrophobicContact CG2-CG1 3.84Å; V50-V62 HydrophobicContact CB-CB 4.32Å; V50-V62 HydrophobicContact CG1-CB 4.41Å; V50-V62 HydrophobicContact CG1-CG2 4.46Å; V50-V62 PolarHBondContact O-N 3.33Å; A52-V62 HydrophobicContact CB-CG2 3.74Å; V62-S66 VanDerWaalsContact CG1-CB 3.46Å; V62-L68 HydrophobicContact CG1-CD2 4.45Å; V62-I78 HydrophobicContact CG1-CG2 4.11Å; V62-I78 HydrophobicContact CG2-CG2 4.22Å
63K81.8Confident79.9Confident164 Ų16464.9 Ų64.971%0.71336%0.357SS*.PPolyproline II helixtrans-80.3151.5-179.2-67.3-176.8177.9-1790110.9G65 S66K63-G65 PolarHBondContact O-N 2.93Å; K63-S66 PolarHBondContact N-OG 3.12Å; K63-S66 VanDerWaalsContact O-CB 3.23Å; K63-S66 WeakPolarHBondContact O-CB 3.34Å; K63-S66 PolarHBondContact O-N 2.93Å; K63-S66 PolarHBondContact O-OG 3.39Å
64R77.7Confident79.4Confident152 Ų15264.5 Ų64.557%0.57436%0.36SS*.THydrogen-bonded Turntrans-53.6136.7165.5-178.3177.7171.6-169.6-5.8110V13 D45 S66V13-R64 CarbonylContact O-C 3.6Å; V13-R64 VanDerWaalsContact O-CA 3.28Å; V13-R64 WeakPolarHBondContact O-CA 3.44Å; D45-R64 PolarHBondContact O-NH1 2.99Å; D45-R64 IonicContact OD2-NH1 2.87Å; R64-S66 VanDerWaalsContact C-N 3.28Å; R64-S66 PolarHBondContact O-N 3.31Å
65G82.2Confident79.4Confident20 Ų2065 Ų6521%0.20636%0.36CS..THydrogen-bonded Turntrans76.75.4-174.700000115.3V13 K63 A81V13-G65 PolarHBondContact O-N 3.34Å; K63-G65 PolarHBondContact O-N 2.93Å; G65-A81 WeakPolarHBondContact O-CB 3.39Å; G65-A81 PolarHBondContact O-N 3.26Å
66S88.3Confident80.3Confident12 Ų1260.5 Ų60.58%0.08434%0.336CS..  trans-74.2156.6163.9-47.90000109.7V13 V62 K63 R64 M79V13-S66 WeakPolarHBondContact CB-O 3.46Å; V13-S66 WeakPolarHBondContact CG2-O 3.3Å; V13-S66 PolarHBondContact N-O 3.28Å; V62-S66 VanDerWaalsContact CG1-CB 3.46Å; K63-S66 PolarHBondContact N-OG 3.12Å; K63-S66 VanDerWaalsContact O-CB 3.23Å; K63-S66 WeakPolarHBondContact O-CB 3.34Å; K63-S66 PolarHBondContact O-N 2.93Å; K63-S66 PolarHBondContact O-OG 3.39Å; R64-S66 VanDerWaalsContact C-N 3.28Å; R64-S66 PolarHBondContact O-N 3.31Å; S66-M79 CarbonylContact C-O 3.48Å; S66-M79 VanDerWaalsContact CA-O 3.28Å; S66-M79 WeakPolarHBondContact CA-O 3.49Å; S66-M79 VanDerWaalsContact CB-O 3.25Å; S66-M79 WeakPolarHBondContact CB-O 3.46Å
67V90.5Very high81Confident7 Ų758.1 Ų58.14%0.04231%0.31CS..EExtended strand (participates in β ladder)trans-114.6132.1176.3-177.70000110.4E12 A69 M79 W84E12-V67 HydrophobicContact CG-CG2 4.45Å; V67-A69 HydrophobicContact CG1-CB 4.38Å; V67-M79 PolarHBondContact N-O 2.82Å; V67-M79 PolarHBondContact O-N 3.05Å; V67-W84 HydrophobicContact CB-CB 4.12Å; V67-W84 HydrophobicContact CB-CD2 4.3Å; V67-W84 HydrophobicContact CB-CG 4.04Å; V67-W84 HydrophobicContact CG1-CD2 3.9Å; V67-W84 HydrophobicContact CG1-CE3 4.17Å; V67-W84 HydrophobicContact CG1-CG 4.15Å; V67-W84 HydrophobicContact CG2-CB 3.88Å; V67-W84 HydrophobicContact CG2-CD2 4.35Å; V67-W84 HydrophobicContact CG2-CG 3.72Å
68L91.2Very high81.7Confident0 Ų056.8 Ų56.80%029%0.29CS..EExtended strand (participates in β ladder)trans-97.3105.5167.2-53.3179.3000107.2S10 I11 V13 L21 I26 V27 V62 W76 E77 I78S10-L68 CarbonylContact C-O 3.56Å; S10-L68 WeakPolarHBondContact CA-O 3.43Å; I11-L68 HydrophobicContact CB-CB 4.45Å; I11-L68 PolarHBondContact N-O 2.87Å; I11-L68 PolarHBondContact O-N 2.82Å; V13-L68 HydrophobicContact CG2-CD1 4.35Å; V13-L68 HydrophobicContact CG2-CG 4.08Å; L21-L68 HydrophobicContact CD2-CD1 3.64Å; I26-L68 HydrophobicContact CD1-CD2 4.08Å; V27-L68 HydrophobicContact CG2-CD1 3.75Å; V62-L68 HydrophobicContact CG1-CD2 4.45Å; L68-W76 HydrophobicContact CB-CE3 4.08Å; L68-W76 HydrophobicContact CB-CZ3 4.12Å; L68-W76 WeakPolarHBondContact O-CZ3 3.48Å; L68-E77 WeakPolarHBondContact CA-O 3.42Å; L68-I78 HydrophobicContact CD2-CB 4.26Å; L68-I78 HydrophobicContact CD2-CG1 3.86Å; L68-I78 HydrophobicContact CD2-CG2 3.99Å
69A89.9Confident82.2Confident0 Ų054.9 Ų54.90%027%0.273CS..EExtended strand (participates in β ladder)trans-109.4140.4-176.400000111.1Y7 V67 W76 E77 M79 W84Y7-A69 HydrophobicContact CD1-CB 3.54Å; Y7-A69 HydrophobicContact CE1-CB 3.82Å; Y7-A69 HydrophobicContact CG-CB 4.24Å; V67-A69 HydrophobicContact CG1-CB 4.38Å; A69-W76 CarbonylContact O-C 3.47Å; A69-W76 WeakPolarHBondContact O-CA 3.23Å; A69-E77 PolarHBondContact N-O 3.08Å; A69-E77 PolarHBondContact O-N 2.91Å; A69-M79 HydrophobicContact CB-CE 3.47Å; A69-M79 VanDerWaalsContact CB-CE 3.47Å; A69-W84 HydrophobicContact CB-CE3 4.17Å; A69-W84 HydrophobicContact CB-CH2 4.33Å; A69-W84 HydrophobicContact CB-CZ3 3.65Å
70Q87.2Confident82.5Confident39 Ų3951.3 Ų51.318%0.18226%0.26CS..EExtended strand (participates in β ladder)trans-106.1127174.9-156.8-173.926.200111Y7 K8 T9 G74 H75 W76Y7-Q70 WeakPolarHBondContact CA-O 3.43Å; K8-Q70 PolarHBondContact N-O 3.48Å; T9-Q70 HydrophobicContact CG2-CB 3.66Å; T9-Q70 PolarHBondContact O-N 2.94Å; Q70-G74 PolarHBondContact NE2-O 3.02Å; Q70-H75 CarbonylContact C-O 3.53Å; Q70-H75 VanDerWaalsContact CA-O 3.23Å; Q70-H75 WeakPolarHBondContact CA-O 3.45Å; Q70-H75 VanDerWaalsContact CG-O 3.25Å; Q70-H75 WeakPolarHBondContact CG-O 3.22Å; Q70-W76 HydrophobicContact CB-CD2 3.93Å; Q70-W76 HydrophobicContact CB-CE3 4.13Å; Q70-W76 HydrophobicContact CB-CG 4.47Å; Q70-W76 HydrophobicContact CB-CH2 4.23Å; Q70-W76 HydrophobicContact CB-CZ2 4.04Å; Q70-W76 HydrophobicContact CB-CZ3 4.28Å; Q70-W76 HydrophobicContact CG-CD2 4.02Å; Q70-W76 HydrophobicContact CG-CG 4.16Å; Q70-W76 HydrophobicContact CG-CZ2 4.21Å
71D79.6Confident82.7Confident28 Ų2848.4 Ų48.415%0.1526%0.257CS..EExtended strand (participates in β ladder)trans-73.1167.5176.376.46.7000112.3K6 K8 C73 G74 H75K6-D71 CarbonylContact O-C 3.59Å; K6-D71 VanDerWaalsContact O-CA 3.23Å; K6-D71 WeakPolarHBondContact O-CA 3.41Å; K8-D71 WeakPolarHBondContact CD-O 3.4Å; K8-D71 VanDerWaalsContact CE-O 3.22Å; K8-D71 WeakPolarHBondContact CE-O 3.47Å; K8-D71 PolarHBondContact NZ-O 3.39Å; D71-C73 PolarHBondContact O-N 3.47Å; D71-C73 VanDerWaalsContact OD1-C 3.28Å; D71-C73 WeakPolarHBondContact OD1-CA 3.31Å; D71-C73 WeakPolarHBondContact OD1-CB 3.45Å; D71-C73 PolarHBondContact OD1-N 3.47Å; D71-G74 PolarHBondContact O-N 2.99Å; D71-G74 VanDerWaalsContact O-N 3.15Å; D71-G74 PolarHBondContact OD1-N 3.05Å; D71-H75 PolarHBondContact N-O 2.97Å; D71-H75 IonicContact OD1-CG 3.44Å; D71-H75 PolarHBondContact OD1-N 3.36Å; D71-H75 IonicContact OD1-ND1 2.6Å; D71-H75 PolarHBondContact OD1-ND1 3.38Å; D71-H75 IonicContact OD2-CG 3.71Å; D71-H75 IonicContact OD2-ND1 2.86Å; D71-H75 PolarHBondContact OD2-ND1 3.01Å
72V67.9Low82.9Confident49 Ų4947.2 Ų47.230%0.29726%0.255SS..THydrogen-bonded Turntrans-54.1-37.1174-74.40000112.4N5 K6 K8 G74 I92N5-V72 WeakPolarHBondContact O-CG1 3.2Å; K6-V72 PolarHBondContact O-N 2.87Å; K8-V72 PolarHBondContact NZ-O 3.17Å; V72-G74 PolarHBondContact O-N 2.99Å; V72-I92 HydrophobicContact CG2-CD1 4.1Å; V72-I92 HydrophobicContact CG2-CG2 4.3Å
73C61.4Low83.1Confident92 Ų9251 Ų5162%0.62227%0.272SS*.THydrogen-bonded Turntrans-72.2-20.2179.5-600000114.7D71D71-C73 PolarHBondContact O-N 3.47Å; D71-C73 VanDerWaalsContact OD1-C 3.28Å; D71-C73 WeakPolarHBondContact OD1-CA 3.31Å; D71-C73 WeakPolarHBondContact OD1-CB 3.45Å; D71-C73 PolarHBondContact OD1-N 3.47Å
74G72.6Confident83.5Confident26 Ų2645.2 Ų45.227%0.26825%0.246SC..SBendtrans109.7-2.9-17900000116.9Q70 D71 V72Q70-G74 PolarHBondContact NE2-O 3.02Å; D71-G74 PolarHBondContact O-N 2.99Å; D71-G74 VanDerWaalsContact O-N 3.15Å; D71-G74 PolarHBondContact OD1-N 3.05Å; V72-G74 PolarHBondContact O-N 2.99Å
75H77Confident84Confident64 Ų6443.5 Ų43.530%0.29624%0.244SC..  trans-75.1151.6176.8-48.192.5000111.3Q70 D71 T159Q70-H75 CarbonylContact C-O 3.53Å; Q70-H75 VanDerWaalsContact CA-O 3.23Å; Q70-H75 WeakPolarHBondContact CA-O 3.45Å; Q70-H75 VanDerWaalsContact CG-O 3.25Å; Q70-H75 WeakPolarHBondContact CG-O 3.22Å; D71-H75 PolarHBondContact N-O 2.97Å; D71-H75 IonicContact OD1-CG 3.44Å; D71-H75 PolarHBondContact OD1-N 3.36Å; D71-H75 IonicContact OD1-ND1 2.6Å; D71-H75 PolarHBondContact OD1-ND1 3.38Å; D71-H75 IonicContact OD2-CG 3.71Å; D71-H75 IonicContact OD2-ND1 2.86Å; D71-H75 PolarHBondContact OD2-ND1 3.01Å; H75-T159 WeakPolarHBondContact CE1-CG2 3.37Å
76W85.5Confident84.1Confident31 Ų3149.6 Ų49.612%0.11727%0.271CS..EExtended strand (participates in β ladder)trans-109.9126.9175.2-71.183.3000111T9 I11 I26 L68 A69 Q70T9-W76 HydrophobicContact CG2-CH2 4.36Å; I11-W76 HydrophobicContact CD1-CH2 3.7Å; I11-W76 HydrophobicContact CD1-CZ3 3.88Å; I11-W76 HydrophobicContact CG1-CH2 4.31Å; I11-W76 HydrophobicContact CG1-CZ3 4.26Å; I26-W76 HydrophobicContact CB-CB 4.47Å; I26-W76 HydrophobicContact CD1-CB 3.6Å; I26-W76 HydrophobicContact CD1-CG 4.35Å; I26-W76 HydrophobicContact CG1-CB 3.88Å; I26-W76 HydrophobicContact CG1-CD2 4.48Å; I26-W76 HydrophobicContact CG1-CG 4.17Å; I26-W76 HydrophobicContact CG2-CB 3.78Å; I26-W76 HydrophobicContact CG2-CG 4.22Å; L68-W76 HydrophobicContact CB-CE3 4.08Å; L68-W76 HydrophobicContact CB-CZ3 4.12Å; L68-W76 WeakPolarHBondContact O-CZ3 3.48Å; A69-W76 CarbonylContact O-C 3.47Å; A69-W76 WeakPolarHBondContact O-CA 3.23Å; Q70-W76 HydrophobicContact CB-CD2 3.93Å; Q70-W76 HydrophobicContact CB-CE3 4.13Å; Q70-W76 HydrophobicContact CB-CG 4.47Å; Q70-W76 HydrophobicContact CB-CH2 4.23Å; Q70-W76 HydrophobicContact CB-CZ2 4.04Å; Q70-W76 HydrophobicContact CB-CZ3 4.28Å; Q70-W76 HydrophobicContact CG-CD2 4.02Å; Q70-W76 HydrophobicContact CG-CG 4.16Å; Q70-W76 HydrophobicContact CG-CZ2 4.21Å
77E86.8Confident84Confident40 Ų4052.3 Ų52.319%0.18728%0.28CS..EExtended strand (participates in β ladder)trans-102.2152169.9-75-176120.300111Y7 M55 L68 A69 M79 R87Y7-E77 VanDerWaalsContact CE1-OE2 3.28Å; Y7-E77 WeakPolarHBondContact CE1-OE2 3.15Å; Y7-E77 VanDerWaalsContact CZ-OE2 3.31Å; Y7-E77 PolarHBondContact OH-OE2 3.46Å; M55-E77 HydrophobicContact CE-CG 4.1Å; L68-E77 WeakPolarHBondContact CA-O 3.42Å; A69-E77 PolarHBondContact N-O 3.08Å; A69-E77 PolarHBondContact O-N 2.91Å; E77-M79 HydrophobicContact CB-CE 4.27Å; E77-R87 VanDerWaalsContact CD-NH2 3.3Å; E77-R87 IonicContact OE1-CZ 3.17Å; E77-R87 IonicContact OE1-NH1 2.78Å; E77-R87 PolarHBondContact OE1-NH1 3.46Å; E77-R87 VanDerWaalsContact OE1-NH1 3.16Å; E77-R87 IonicContact OE1-NH2 3.73Å; E77-R87 PolarHBondContact OE1-NH2 3Å; E77-R87 IonicContact OE2-CZ 2.73Å; E77-R87 IonicContact OE2-NH1 3.55Å; E77-R87 IonicContact OE2-NH2 3.65Å; E77-R87 PolarHBondContact OE2-NH2 2.95Å
78I89.5Confident83.6Confident25 Ų2554.8 Ų54.813%0.12829%0.29CS..EExtended strand (participates in β ladder)trans-114110.2173.9-51.7171.9000107.4I26 A52 N54 V62 L68I26-I78 HydrophobicContact CD1-CD1 4.34Å; I26-I78 HydrophobicContact CD1-CG1 3.86Å; A52-I78 HydrophobicContact CB-CD1 3.82Å; N54-I78 HydrophobicContact CB-CD1 4.24Å; V62-I78 HydrophobicContact CG1-CG2 4.11Å; V62-I78 HydrophobicContact CG2-CG2 4.22Å; L68-I78 HydrophobicContact CD2-CB 4.26Å; L68-I78 HydrophobicContact CD2-CG1 3.86Å; L68-I78 HydrophobicContact CD2-CG2 3.99Å
79M88.4Confident83.2Confident6 Ų660.2 Ų60.23%0.0332%0.319CS..EExtended strand (participates in β ladder)trans-118.1153.7-176.4-73.5179.5-77.100112.2Y7 S66 V67 A69 E77 E83 W84 R87Y7-M79 HydrophobicContact CE1-CE 3.91Å; S66-M79 CarbonylContact C-O 3.48Å; S66-M79 VanDerWaalsContact CA-O 3.28Å; S66-M79 WeakPolarHBondContact CA-O 3.49Å; S66-M79 VanDerWaalsContact CB-O 3.25Å; S66-M79 WeakPolarHBondContact CB-O 3.46Å; V67-M79 PolarHBondContact N-O 2.82Å; V67-M79 PolarHBondContact O-N 3.05Å; A69-M79 HydrophobicContact CB-CE 3.47Å; A69-M79 VanDerWaalsContact CB-CE 3.47Å; E77-M79 HydrophobicContact CB-CE 4.27Å; M79-E83 VanDerWaalsContact CA-OE2 3.25Å; M79-E83 WeakPolarHBondContact CA-OE2 3.42Å; M79-E83 HydrophobicContact CB-CB 3.87Å; M79-E83 HydrophobicContact CG-CB 4.12Å; M79-W84 HydrophobicContact CE-CE3 3.62Å; M79-W84 HydrophobicContact CE-CZ3 4.03Å; M79-R87 HydrophobicContact SD-CB 4.33Å
80T89Confident82.5Confident54 Ų5462.3 Ų62.333%0.33133%0.33SS..  trans-71.3170162.972.70000111.1D82 E83 W84T80-D82 VanDerWaalsContact C-N 3.27Å; T80-D82 PolarHBondContact O-N 3.1Å; T80-D82 PolarHBondContact OG1-N 3.17Å; T80-E83 PolarHBondContact N-OE2 3.47Å; T80-E83 PolarHBondContact O-N 3.16Å; T80-E83 WeakPolarHBondContact OG1-CG 3.46Å; T80-E83 PolarHBondContact OG1-N 2.82Å; T80-W84 WeakPolarHBondContact O-CB 3.34Å; T80-W84 PolarHBondContact O-N 3.37Å
81A85.3Confident81.3Confident49 Ų4964.3 Ų64.341%0.40535%0.345SS..Hα-helixtrans-57-42.717000000111.8G65 W84 E85G65-A81 WeakPolarHBondContact O-CB 3.39Å; G65-A81 PolarHBondContact O-N 3.26Å; A81-W84 PolarHBondContact O-N 2.85Å; A81-E85 PolarHBondContact O-N 3.42Å
82D85.9Confident80.1Confident122 Ų12265.7 Ų65.765%0.65235%0.352SS*.Hα-helixtrans-67.9-42.4-179.3-37-67000111.6T80 W84 E85 L86T80-D82 VanDerWaalsContact C-N 3.27Å; T80-D82 PolarHBondContact O-N 3.1Å; T80-D82 PolarHBondContact OG1-N 3.17Å; D82-W84 VanDerWaalsContact C-N 3.3Å; D82-W84 PolarHBondContact O-N 2.91Å; D82-E85 PolarHBondContact O-N 2.84Å; D82-L86 PolarHBondContact O-N 3.19Å
83E86.9Confident79.1Confident91 Ų9164.5 Ų64.543%0.42535%0.346SS..Hα-helixtrans-64-34.8174.9-72.8170.3164.500111.8M79 T80 R87M79-E83 VanDerWaalsContact CA-OE2 3.25Å; M79-E83 WeakPolarHBondContact CA-OE2 3.42Å; M79-E83 HydrophobicContact CB-CB 3.87Å; M79-E83 HydrophobicContact CG-CB 4.12Å; T80-E83 PolarHBondContact N-OE2 3.47Å; T80-E83 PolarHBondContact O-N 3.16Å; T80-E83 WeakPolarHBondContact OG1-CG 3.46Å; T80-E83 PolarHBondContact OG1-N 2.82Å; E83-R87 WeakPolarHBondContact O-CB 3.39Å; E83-R87 WeakPolarHBondContact O-CG 3.15Å; E83-R87 PolarHBondContact O-N 2.99Å
84W91.5Very high78.2Confident43 Ų4364.3 Ų64.316%0.16334%0.339CS..Hα-helixtrans-72.1-46.5175.9176.2-112.8000112.5Y7 V67 A69 M79 T80 A81 D82 L86 R87 K88Y7-W84 HydrophobicContact CD1-CZ3 4.27Å; Y7-W84 HydrophobicContact CD2-CH2 4.31Å; Y7-W84 AromaticContact CD2-CZ3 3.75Å; Y7-W84 HydrophobicContact CD2-CZ3 3.75Å; Y7-W84 HydrophobicContact CE2-CZ3 4.21Å; Y7-W84 HydrophobicContact CG-CH2 4.18Å; Y7-W84 AromaticContact CG-CZ3 3.78Å; Y7-W84 HydrophobicContact CG-CZ3 3.78Å; V67-W84 HydrophobicContact CB-CB 4.12Å; V67-W84 HydrophobicContact CB-CD2 4.3Å; V67-W84 HydrophobicContact CB-CG 4.04Å; V67-W84 HydrophobicContact CG1-CD2 3.9Å; V67-W84 HydrophobicContact CG1-CE3 4.17Å; V67-W84 HydrophobicContact CG1-CG 4.15Å; V67-W84 HydrophobicContact CG2-CB 3.88Å; V67-W84 HydrophobicContact CG2-CD2 4.35Å; V67-W84 HydrophobicContact CG2-CG 3.72Å; A69-W84 HydrophobicContact CB-CE3 4.17Å; A69-W84 HydrophobicContact CB-CH2 4.33Å; A69-W84 HydrophobicContact CB-CZ3 3.65Å; M79-W84 HydrophobicContact CE-CE3 3.62Å; M79-W84 HydrophobicContact CE-CZ3 4.03Å; T80-W84 WeakPolarHBondContact O-CB 3.34Å; T80-W84 PolarHBondContact O-N 3.37Å; A81-W84 PolarHBondContact O-N 2.85Å; D82-W84 VanDerWaalsContact C-N 3.3Å; D82-W84 PolarHBondContact O-N 2.91Å; W84-L86 PolarHBondContact O-N 3.01Å; W84-R87 PolarHBondContact O-N 2.85Å; W84-K88 HydrophobicContact CD2-CB 3.94Å; W84-K88 HydrophobicContact CE3-CB 4.19Å; W84-K88 HydrophobicContact CH2-CB 3.97Å; W84-K88 HydrophobicContact CZ2-CB 3.68Å; W84-K88 HydrophobicContact CZ3-CB 4.21Å; W84-K88 WeakPolarHBondContact O-CB 3.35Å; W84-K88 PolarHBondContact O-N 3.18Å
85E88.5Confident77.2Confident116 Ų11664.2 Ų64.254%0.54234%0.338SS..Hα-helixtrans-60.7-29.8178.1-81.2-66.511200112.7A81 D82 K88A81-E85 PolarHBondContact O-N 3.42Å; D82-E85 PolarHBondContact O-N 2.84Å; E85-K88 WeakPolarHBondContact OE1-CD 3.38Å; E85-K88 IonicContact OE1-NZ 2.71Å; E85-K88 PolarHBondContact OE1-NZ 2.96Å; E85-K88 IonicContact OE2-NZ 3.45Å; E85-K88 PolarHBondContact OE2-NZ 3.25Å
86L83.9Confident76.7Confident148 Ų14864.8 Ų64.878%0.77535%0.349SS*.Hα-helixtrans-76.7-21.8172.7-97.1144.8000114.9D82 W84D82-L86 PolarHBondContact O-N 3.19Å; W84-L86 PolarHBondContact O-N 3.01Å
87R85.4Confident76.3Confident69 Ų6964.5 Ų64.526%0.2635%0.352SS..Hα-helixtrans-124.1-10.2-169-68.6-179.665.1-172.4-3.9115.6Y7 E77 M79 E83 W84 D89 D90Y7-R87 HydrophobicContact CE2-CB 4.32Å; Y7-R87 VanDerWaalsContact CE2-O 3.24Å; Y7-R87 WeakPolarHBondContact CE2-O 3.38Å; Y7-R87 PolarHBondContact OH-NE 3.06Å; Y7-R87 PolarHBondContact OH-NH2 2.66Å; E77-R87 VanDerWaalsContact CD-NH2 3.3Å; E77-R87 IonicContact OE1-CZ 3.17Å; E77-R87 IonicContact OE1-NH1 2.78Å; E77-R87 PolarHBondContact OE1-NH1 3.46Å; E77-R87 VanDerWaalsContact OE1-NH1 3.16Å; E77-R87 IonicContact OE1-NH2 3.73Å; E77-R87 PolarHBondContact OE1-NH2 3Å; E77-R87 IonicContact OE2-CZ 2.73Å; E77-R87 IonicContact OE2-NH1 3.55Å; E77-R87 IonicContact OE2-NH2 3.65Å; E77-R87 PolarHBondContact OE2-NH2 2.95Å; M79-R87 HydrophobicContact SD-CB 4.33Å; E83-R87 WeakPolarHBondContact O-CB 3.39Å; E83-R87 WeakPolarHBondContact O-CG 3.15Å; E83-R87 PolarHBondContact O-N 2.99Å; W84-R87 PolarHBondContact O-N 2.85Å; R87-D89 PolarHBondContact O-N 2.68Å; R87-D89 VanDerWaalsContact O-N 3.15Å; R87-D90 IonicContact NE-OD2 2.63Å; R87-D90 PolarHBondContact NE-OD2 2.65Å; R87-D90 IonicContact NH2-OD2 2.68Å; R87-D90 WeakPolarHBondContact O-CB 3.3Å; R87-D90 PolarHBondContact O-N 2.89Å
88K82.4Confident76Confident58 Ų5865.8 Ų65.825%0.25236%0.357SS..THydrogen-bonded Turntrans-55.4-33.218064.7-173.9174.3-177.70113.3W84 E85W84-K88 HydrophobicContact CD2-CB 3.94Å; W84-K88 HydrophobicContact CE3-CB 4.19Å; W84-K88 HydrophobicContact CH2-CB 3.97Å; W84-K88 HydrophobicContact CZ2-CB 3.68Å; W84-K88 HydrophobicContact CZ3-CB 4.21Å; W84-K88 WeakPolarHBondContact O-CB 3.35Å; W84-K88 PolarHBondContact O-N 3.18Å; E85-K88 WeakPolarHBondContact OE1-CD 3.38Å; E85-K88 IonicContact OE1-NZ 2.71Å; E85-K88 PolarHBondContact OE1-NZ 2.96Å; E85-K88 IonicContact OE2-NZ 3.45Å; E85-K88 PolarHBondContact OE2-NZ 3.25Å
89D82.2Confident75.2Confident114 Ų11465.5 Ų65.561%0.6136%0.361SS*.THydrogen-bonded Turntrans-9810.4178.5-59-54.2000112.3R87 T91R87-D89 PolarHBondContact O-N 2.68Å; R87-D89 VanDerWaalsContact O-N 3.15Å; D89-T91 PolarHBondContact O-N 2.93Å
90D75.8Confident74.8Confident44 Ų4467.6 Ų67.624%0.23537%0.372CS..  trans-51.6127.5165.3-81.7-7.7000107.9K6 Y7 R87K6-D90 HydrophobicContact CB-CB 3.77Å; K6-D90 WeakPolarHBondContact CB-O 3.33Å; K6-D90 HydrophobicContact CD-CB 3.42Å; K6-D90 VanDerWaalsContact CD-CB 3.42Å; K6-D90 VanDerWaalsContact CD-OD2 3.26Å; K6-D90 WeakPolarHBondContact CD-OD2 3.48Å; K6-D90 WeakPolarHBondContact CE-OD2 3.36Å; K6-D90 HydrophobicContact CG-CB 4.27Å; K6-D90 PolarHBondContact N-O 3.42Å; K6-D90 IonicContact NZ-OD2 2.72Å; K6-D90 PolarHBondContact NZ-OD2 2.79Å; Y7-D90 HydrophobicContact CE2-CB 4.15Å; R87-D90 IonicContact NE-OD2 2.63Å; R87-D90 PolarHBondContact NE-OD2 2.65Å; R87-D90 IonicContact NH2-OD2 2.68Å; R87-D90 WeakPolarHBondContact O-CB 3.3Å; R87-D90 PolarHBondContact O-N 2.89Å
91T61.4Low74.6Confident82 Ų8265 Ų6550%0.50336%0.356SS..EExtended strand (participates in β ladder)trans-106.1146.9172.657.20000111.5I3 M4 D89I3-T91 HydrophobicContact CG2-CG2 3.55Å; M4-T91 CarbonylContact O-C 3.59Å; M4-T91 VanDerWaalsContact O-CA 3.27Å; M4-T91 WeakPolarHBondContact O-CA 3.42Å; M4-T91 WeakPolarHBondContact O-CB 3.43Å; D89-T91 PolarHBondContact O-N 2.93Å
92I55.7Low74.4Confident57 Ų5763.5 Ų63.529%0.29234%0.341SS..EExtended strand (participates in β ladder)trans-113.9134.5167.4-83.8-178.6000106.8M4 K6 V72M4-I92 PolarHBondContact N-O 3Å; M4-I92 PolarHBondContact O-N 3.24Å; M4-I92 VanDerWaalsContact O-O 3.06Å; K6-I92 HydrophobicContact CB-CD1 4.17Å; K6-I92 HydrophobicContact CB-CG1 4.02Å; K6-I92 HydrophobicContact CD-CD1 4.37Å; K6-I92 HydrophobicContact CD-CG1 4.46Å; K6-I92 HydrophobicContact CG-CD1 3.71Å; K6-I92 HydrophobicContact CG-CG1 4.03Å; V72-I92 HydrophobicContact CG2-CD1 4.1Å; V72-I92 HydrophobicContact CG2-CG2 4.3Å
93S45.8Very low74.1Confident24 Ų2461.6 Ų61.617%0.16833%0.328CS..EExtended strand (participates in β ladder)trans-68.9141.9168.179.50000108.9G95 L100S93-G95 PolarHBondContact O-N 3.38Å; S93-L100 WeakPolarHBondContact OG-CD2 3.39Å
94D43.3Very low73.9Confident88 Ų8859.3 Ų59.347%0.47133%0.325SS..SBendtrans-70.737173.3-165.423.9000111.5R2 M4R2-D94 HydrophobicContact CB-CB 3.75Å; R2-D94 WeakPolarHBondContact O-CB 3.32Å; R2-D94 PolarHBondContact O-N 3.48Å; M4-D94 HydrophobicContact CE-CB 3.8Å; M4-D94 VanDerWaalsContact CE-OD1 3.3Å; M4-D94 WeakPolarHBondContact CE-OD1 3.48Å; M4-D94 HydrophobicContact CG-CB 4.43Å; M4-D94 HydrophobicContact SD-CB 4.3Å
95G51.8Low73.6Confident24 Ų2457.7 Ų57.725%0.24732%0.321CS..  trans-84.4135.5170.300000109.9S93S93-G95 PolarHBondContact O-N 3.38Å
96S66.5Low73.3Confident76 Ų7656 Ų5653%0.53132%0.322SS..  trans-56.4165.8153.951.60000110E98 G99 L100S96-E98 PolarHBondContact O-N 3.41Å; S96-E98 WeakPolarHBondContact OG-CB 3.49Å; S96-G99 WeakPolarHBondContact O-CA 3.22Å; S96-G99 PolarHBondContact O-N 2.92Å; S96-G99 PolarHBondContact OG-N 3.26Å; S96-L100 PolarHBondContact O-N 3.31Å; S96-L100 VanDerWaalsContact O-N 3.15Å
97S76.8Confident73.1Confident25 Ų2549.7 Ų49.718%0.17529%0.289CS..Hα-helixtrans-54.3-25.217055.80000112.4A101 C139 Y140 F157S97-A101 VanDerWaalsContact O-CB 3.29Å; S97-A101 WeakPolarHBondContact O-CB 3.42Å; S97-A101 PolarHBondContact O-N 3.08Å; S97-C139 WeakPolarHBondContact OG-CA 3.32Å; S97-Y140 PolarHBondContact OG-N 3Å; S97-F157 VanDerWaalsContact CB-O 3.31Å; S97-F157 WeakPolarHBondContact CB-O 3.46Å
98E79.5Confident72.3Confident66 Ų6651.5 Ų51.531%0.30830%0.3SS..Hα-helixtrans-63.2-49.6168.8-160.3175.8119.600112.4S96 L100 A101 L102 L112 Y140S96-E98 PolarHBondContact O-N 3.41Å; S96-E98 WeakPolarHBondContact OG-CB 3.49Å; E98-L100 VanDerWaalsContact C-N 3.34Å; E98-L100 PolarHBondContact O-N 2.96Å; E98-A101 PolarHBondContact O-N 2.96Å; E98-L102 HydrophobicContact CG-CD1 4.13Å; E98-L102 WeakPolarHBondContact O-CB 3.28Å; E98-L102 VanDerWaalsContact O-CG 3.23Å; E98-L102 WeakPolarHBondContact O-CG 3.46Å; E98-L102 PolarHBondContact O-N 2.99Å; E98-L112 VanDerWaalsContact CD-CD1 3.44Å; E98-L112 HydrophobicContact CG-CD1 3.86Å; E98-L112 HydrophobicContact CG-CG 4.15Å; E98-Y140 HydrophobicContact CB-CD2 3.5Å; E98-Y140 VanDerWaalsContact CB-CD2 3.5Å; E98-Y140 HydrophobicContact CB-CE2 3.39Å; E98-Y140 HydrophobicContact CB-CG 4.36Å; E98-Y140 HydrophobicContact CG-CD2 3.89Å; E98-Y140 HydrophobicContact CG-CE1 4.43Å; E98-Y140 HydrophobicContact CG-CE2 3.48Å; E98-Y140 VanDerWaalsContact CG-CE2 3.48Å; E98-Y140 HydrophobicContact CG-CG 4.49Å; E98-Y140 WeakPolarHBondContact OE2-CE2 3.49Å; E98-Y140 VanDerWaalsContact OE2-CZ 3.26Å; E98-Y140 PolarHBondContact OE2-OH 2.64Å
99G73.2Confident71Confident20 Ų2054.4 Ų54.421%0.20632%0.323CS..Hα-helixtrans-60.7-42178.900000112.6S96 L102 E103S96-G99 WeakPolarHBondContact O-CA 3.22Å; S96-G99 PolarHBondContact O-N 2.92Å; S96-G99 PolarHBondContact OG-N 3.26Å; G99-L102 PolarHBondContact O-N 3.36Å; G99-E103 WeakPolarHBondContact O-CB 3.37Å; G99-E103 PolarHBondContact O-N 2.85Å
100L80Confident70.3Confident50 Ų5056.7 Ų56.726%0.26233%0.328SS..Hα-helixtrans-68.1-37175.4-64.4172.2000112.3S93 S96 E98 E103 A104 F157S93-L100 WeakPolarHBondContact OG-CD2 3.39Å; S96-L100 PolarHBondContact O-N 3.31Å; S96-L100 VanDerWaalsContact O-N 3.15Å; E98-L100 VanDerWaalsContact C-N 3.34Å; E98-L100 PolarHBondContact O-N 2.96Å; L100-E103 WeakPolarHBondContact O-CB 3.37Å; L100-E103 PolarHBondContact O-N 2.9Å; L100-A104 WeakPolarHBondContact O-CB 3.31Å; L100-A104 PolarHBondContact O-N 3.41Å; L100-F157 HydrophobicContact CB-CB 4.01Å; L100-F157 HydrophobicContact CB-CD1 3.53Å; L100-F157 HydrophobicContact CB-CE1 4.17Å; L100-F157 HydrophobicContact CB-CG 3.84Å; L100-F157 HydrophobicContact CD1-CB 4.28Å; L100-F157 HydrophobicContact CD1-CD1 4.48Å
101A84.4Confident70.1Confident0 Ų055.8 Ų55.80%033%0.329CS..Hα-helixtrans-69-37.917400000112.7S97 E98 E103 A105 V128 I142 F157S97-A101 VanDerWaalsContact O-CB 3.29Å; S97-A101 WeakPolarHBondContact O-CB 3.42Å; S97-A101 PolarHBondContact O-N 3.08Å; E98-A101 PolarHBondContact O-N 2.96Å; A101-E103 VanDerWaalsContact C-N 3.32Å; A101-A105 VanDerWaalsContact O-CB 3.22Å; A101-A105 WeakPolarHBondContact O-CB 3.45Å; A101-A105 PolarHBondContact O-N 2.96Å; A101-V128 HydrophobicContact CB-CG1 3.92Å; A101-V128 HydrophobicContact CB-CG2 4.48Å; A101-I142 HydrophobicContact CB-CD1 4.35Å; A101-F157 VanDerWaalsContact CA-CE2 3.43Å; A101-F157 HydrophobicContact CB-CD2 3.64Å; A101-F157 HydrophobicContact CB-CE2 3.6Å; A101-F157 HydrophobicContact CB-CZ 4.5Å
102L82.7Confident71Confident16 Ų1654.3 Ų54.38%0.08432%0.317CS..Hα-helixtrans-70.6-28.6174.3-68.9174.6000112.1E98 G99 S106 L107 Q108 G111 L112E98-L102 HydrophobicContact CG-CD1 4.13Å; E98-L102 WeakPolarHBondContact O-CB 3.28Å; E98-L102 VanDerWaalsContact O-CG 3.23Å; E98-L102 WeakPolarHBondContact O-CG 3.46Å; E98-L102 PolarHBondContact O-N 2.99Å; G99-L102 PolarHBondContact O-N 3.36Å; L102-S106 PolarHBondContact O-N 2.79Å; L102-L107 HydrophobicContact CB-CB 4.38Å; L102-L107 HydrophobicContact CD2-CB 3.65Å; L102-L107 HydrophobicContact CD2-CD1 4.07Å; L102-L107 WeakPolarHBondContact O-CA 3.27Å; L102-L107 PolarHBondContact O-N 3.43Å; L102-Q108 PolarHBondContact O-N 2.87Å; L102-G111 WeakPolarHBondContact CD2-O 3.46Å; L102-L112 HydrophobicContact CD2-CD2 4.32Å; L102-L112 HydrophobicContact CD2-CG 4.32Å
103E78.4Confident72.5Confident82 Ų8253 Ų5338%0.38331%0.312SS..Hα-helixtrans-66.9-56169.7-179154.5-123.700111.2M1 G99 L100 A101 A105 S106 Q108M1-E103 WeakPolarHBondContact CE-OE1 3.36Å; M1-E103 VanDerWaalsContact CE-OE2 3.31Å; M1-E103 WeakPolarHBondContact CE-OE2 3.44Å; G99-E103 WeakPolarHBondContact O-CB 3.37Å; G99-E103 PolarHBondContact O-N 2.85Å; L100-E103 WeakPolarHBondContact O-CB 3.37Å; L100-E103 PolarHBondContact O-N 2.9Å; A101-E103 VanDerWaalsContact C-N 3.32Å; E103-A105 PolarHBondContact O-N 3.44Å; E103-S106 PolarHBondContact O-N 2.83Å; E103-Q108 HydrophobicContact CB-CG 4.23Å; E103-Q108 VanDerWaalsContact CD-NE2 3.27Å; E103-Q108 VanDerWaalsContact CG-NE2 3.28Å; E103-Q108 PolarHBondContact OE1-NE2 2.6Å
104A83Confident74.4Confident43 Ų4358.1 Ų58.136%0.35533%0.332SS..Hα-helixtrans-61.8-26.2178.800000114.2L100 I142 F157L100-A104 WeakPolarHBondContact O-CB 3.31Å; L100-A104 PolarHBondContact O-N 3.41Å; A104-I142 HydrophobicContact CB-CD1 4.49Å; A104-I142 HydrophobicContact CB-CG1 4.27Å; A104-F157 HydrophobicContact CB-CE1 4.05Å; A104-F157 HydrophobicContact CB-CZ 3.51Å
105A84.7Confident76.7Confident9 Ų960.7 Ų60.77%0.07434%0.335CS..THydrogen-bonded Turntrans-89.2-2174.800000114.3A101 E103 L107 V128 I142 Y172A101-A105 VanDerWaalsContact O-CB 3.22Å; A101-A105 WeakPolarHBondContact O-CB 3.45Å; A101-A105 PolarHBondContact O-N 2.96Å; E103-A105 PolarHBondContact O-N 3.44Å; A105-L107 VanDerWaalsContact C-N 3.32Å; A105-L107 HydrophobicContact CB-CB 4.45Å; A105-L107 HydrophobicContact CB-CD1 3.67Å; A105-L107 HydrophobicContact CB-CG 3.78Å; A105-L107 WeakPolarHBondContact O-CG 3.32Å; A105-L107 PolarHBondContact O-N 2.77Å; A105-V128 HydrophobicContact CB-CG2 3.87Å; A105-I142 HydrophobicContact CB-CD1 4.27Å; A105-Y172 HydrophobicContact CB-CD1 4.1Å; A105-Y172 HydrophobicContact CB-CD2 4.39Å; A105-Y172 HydrophobicContact CB-CE1 3.75Å; A105-Y172 HydrophobicContact CB-CE2 4.06Å; A105-Y172 HydrophobicContact CB-CG 4.39Å
106S81.7Confident78.5Confident82 Ų8262 Ų6257%0.57333%0.333SS*.THydrogen-bonded Turntrans59.138.4-174-46.90000113.8L102 E103L102-S106 PolarHBondContact O-N 2.79Å; E103-S106 PolarHBondContact O-N 2.83Å
107L79.9Confident79.4Confident15 Ų1561.2 Ų61.28%0.07933%0.325CS..  trans-114.84.4-175.3-61.7177.9000114.4L102 A105 T109 K110 G111 P113 V128 Y172L102-L107 HydrophobicContact CB-CB 4.38Å; L102-L107 HydrophobicContact CD2-CB 3.65Å; L102-L107 HydrophobicContact CD2-CD1 4.07Å; L102-L107 WeakPolarHBondContact O-CA 3.27Å; L102-L107 PolarHBondContact O-N 3.43Å; A105-L107 VanDerWaalsContact C-N 3.32Å; A105-L107 HydrophobicContact CB-CB 4.45Å; A105-L107 HydrophobicContact CB-CD1 3.67Å; A105-L107 HydrophobicContact CB-CG 3.78Å; A105-L107 WeakPolarHBondContact O-CG 3.32Å; A105-L107 PolarHBondContact O-N 2.77Å; L107-T109 PolarHBondContact O-N 2.9Å; L107-K110 HydrophobicContact CD2-CD 4Å; L107-K110 PolarHBondContact O-N 3.32Å; L107-G111 PolarHBondContact O-N 2.79Å; L107-P113 HydrophobicContact CD1-CG 3.72Å; L107-V128 HydrophobicContact CD1-CG2 4.34Å; L107-Y172 HydrophobicContact CD1-CD1 4.28Å; L107-Y172 HydrophobicContact CD1-CG 4.08Å
108Q68.9Low79.6Confident107 Ų10766.2 Ų66.250%0.535%0.349SS..THydrogen-bonded Turntrans-46.5-37.9-176.1-64.2-177.4-21.800114.5L102 E103L102-Q108 PolarHBondContact O-N 2.87Å; E103-Q108 HydrophobicContact CB-CG 4.23Å; E103-Q108 VanDerWaalsContact CD-NE2 3.27Å; E103-Q108 VanDerWaalsContact CG-NE2 3.28Å; E103-Q108 PolarHBondContact OE1-NE2 2.6Å
109T54.8Low79.5Confident119 Ų11966.7 Ų66.773%0.7337%0.372SS*.THydrogen-bonded Turntrans-84.7-22.2179.753.70000114.1L107L107-T109 PolarHBondContact O-N 2.9Å
110K68.8Low79.9Confident161 Ų16173.9 Ų73.970%0.740%0.398SS*.THydrogen-bonded Turntrans-95.4-27-175.7-65.5171.1-177.3166.30112.8L107L107-K110 HydrophobicContact CD2-CD 4Å; L107-K110 PolarHBondContact O-N 3.32Å
111G70.6Confident79.9Confident25 Ų2572.6 Ų72.626%0.25839%0.391SS..  trans76.2-168.6-172.500000113L102 L107L102-G111 WeakPolarHBondContact CD2-O 3.46Å; L107-G111 PolarHBondContact O-N 2.79Å
112L81.5Confident80Confident51 Ų5176.1 Ų76.127%0.26741%0.414SS..SBendtrans-64.6131.2179.6-84.8166000111.9E98 L102 V128 Y140 H170E98-L112 VanDerWaalsContact CD-CD1 3.44Å; E98-L112 HydrophobicContact CG-CD1 3.86Å; E98-L112 HydrophobicContact CG-CG 4.15Å; L102-L112 HydrophobicContact CD2-CD2 4.32Å; L102-L112 HydrophobicContact CD2-CG 4.32Å; L112-V128 HydrophobicContact CD2-CB 4.32Å; L112-V128 HydrophobicContact CD2-CG1 3.66Å; L112-Y140 HydrophobicContact CD1-CE1 3.96Å; L112-Y140 VanDerWaalsContact CD1-OH 3.28Å; L112-Y140 WeakPolarHBondContact CD1-OH 3.35Å; L112-Y140 HydrophobicContact CD2-CD1 4.35Å; L112-Y140 HydrophobicContact CD2-CE1 3.87Å; L112-H170 HydrophobicContact CD2-CB 4.28Å
113P85.4Confident80.3Confident29 Ų2976.8 Ų76.819%0.18842%0.416CS..PPolyproline II helixtrans-59.9165.7172.8-22.131000113L107 R115 H170 P171L107-P113 HydrophobicContact CD1-CG 3.72Å; P113-R115 PolarHBondContact O-N 3.43Å; P113-H170 HydrophobicContact CB-CB 4.16Å; P113-H170 HydrophobicContact CG-CB 4.27Å; P113-H170 PolarHBondContact O-ND1 2.99Å; P113-P171 WeakPolarHBondContact CB-O 3.16Å
114K87.6Confident81Confident133 Ų13373 Ų7358%0.57840%0.399SS*.PPolyproline II helixtrans-52.2131.4167.6-178.4-162.8167.1-162.60110Y116 D121K114-Y116 PolarHBondContact O-N 3.39Å; K114-D121 IonicContact NZ-OD1 3.2Å; K114-D121 PolarHBondContact NZ-OD1 2.86Å; K114-D121 IonicContact NZ-OD2 2.71Å; K114-D121 PolarHBondContact NZ-OD2 2.88Å
115R89.9Confident81.5Confident142 Ų14271 Ų7154%0.53638%0.382SS..PPolyproline II helixtrans-62.1129.3174.6-174.5-178.7-175.9-176.77.1110.9P113 K167 I169P113-R115 PolarHBondContact O-N 3.43Å; R115-K167 PolarHBondContact NH2-O 2.84Å; R115-I169 CarbonylContact C-O 3.53Å; R115-I169 WeakPolarHBondContact CA-O 3.5Å
116Y89.8Confident82Confident51 Ų5171.4 Ų71.420%0.238%0.382CS..PPolyproline II helixtrans-57.3133.3175.1179.3-104000111.4K114 D118 D121 W124 I169 P171K114-Y116 PolarHBondContact O-N 3.39Å; Y116-D118 HydrophobicContact CE1-CB 3.85Å; Y116-D118 PolarHBondContact OH-OD1 2.95Å; Y116-D121 HydrophobicContact CD2-CB 3.68Å; Y116-D121 HydrophobicContact CE2-CB 3.83Å; Y116-W124 AromaticContact CD2-CD1 3.64Å; Y116-W124 AromaticContact CD2-NE1 3.87Å; Y116-W124 AromaticContact CE2-CD1 3.59Å; Y116-W124 AromaticContact CE2-NE1 3.85Å; Y116-I169 PolarHBondContact N-O 3.04Å; Y116-P171 HydrophobicContact CD2-CG 4.13Å; Y116-P171 HydrophobicContact CG-CG 4.33Å
117T86.3Confident82.6Confident59 Ų5967.5 Ų67.536%0.36236%0.355SS..  trans-119113.3172.3-520000109.3K120 D121T117-K120 HydrophobicContact CG2-CB 4.32Å; T117-K120 HydrophobicContact CG2-CD 3.84Å; T117-K120 HydrophobicContact CG2-CG 4.19Å; T117-K120 PolarHBondContact O-N 3.32Å; T117-K120 VanDerWaalsContact O-N 3.1Å; T117-D121 PolarHBondContact N-OD2 3.41Å; T117-D121 PolarHBondContact O-N 2.6Å
118D79.8Confident83.2Confident130 Ų13066.8 Ų66.870%0.69535%0.351SS*.THydrogen-bonded Turntrans-58.9140.5-176.4-167.235.9000112.6Y116 K120Y116-D118 HydrophobicContact CE1-CB 3.85Å; Y116-D118 PolarHBondContact OH-OD1 2.95Å; D118-K120 PolarHBondContact O-N 2.9Å
119G77.3Confident84.4Confident76 Ų7661.7 Ų61.778%0.78433%0.327SS*.THydrogen-bonded Turntrans6611-174.100000115.9
120K81.8Confident86.3Confident171 Ų17157.2 Ų57.274%0.74330%0.299SS*.THydrogen-bonded Turntrans-127.8-40.8175.4-64.7-169.2-174.31770114.5T117 D118T117-K120 HydrophobicContact CG2-CB 4.32Å; T117-K120 HydrophobicContact CG2-CD 3.84Å; T117-K120 HydrophobicContact CG2-CG 4.19Å; T117-K120 PolarHBondContact O-N 3.32Å; T117-K120 VanDerWaalsContact O-N 3.1Å; D118-K120 PolarHBondContact O-N 2.9Å
121D81Confident87.5Confident24 Ų2449.6 Ų49.613%0.12827%0.266CS..SBendtrans-87.8146.7177.4-66.6-54.1000110.2K114 Y116 T117 Y174K114-D121 IonicContact NZ-OD1 3.2Å; K114-D121 PolarHBondContact NZ-OD1 2.86Å; K114-D121 IonicContact NZ-OD2 2.71Å; K114-D121 PolarHBondContact NZ-OD2 2.88Å; Y116-D121 HydrophobicContact CD2-CB 3.68Å; Y116-D121 HydrophobicContact CE2-CB 3.83Å; T117-D121 PolarHBondContact N-OD2 3.41Å; T117-D121 PolarHBondContact O-N 2.6Å; D121-Y174 HydrophobicContact CB-CE1 4.39Å
122P86.3Confident88.4Confident74 Ų7450.6 Ų50.648%0.48126%0.264SS..  trans-71.1175.4-176.127.2-31.5000112.7W124 Y174P122-W124 PolarHBondContact O-N 3.04Å; P122-Y174 HydrophobicContact CB-CD1 4.43Å; P122-Y174 HydrophobicContact CG-CD1 3.66Å; P122-Y174 HydrophobicContact CG-CE1 4.04Å; P122-Y174 HydrophobicContact CG-CG 4.28Å; P122-Y174 WeakPolarHBondContact O-CD1 3.45Å
123F89.2Confident88.8Confident29 Ų2948.1 Ų48.113%0.12725%0.251CS..  trans-59130.6179.6-164.8-78000110.8Q145 N146 K149 L175 L219 I223F123-Q145 HydrophobicContact CE1-CG 4.23Å; F123-Q145 HydrophobicContact CZ-CG 3.94Å; F123-N146 WeakPolarHBondContact CZ-O 3.07Å; F123-K149 HydrophobicContact CE2-CG 4.06Å; F123-L175 HydrophobicContact CB-CB 4.39Å; F123-L175 HydrophobicContact CD1-CB 4.15Å; F123-L175 HydrophobicContact CD1-CD2 4.25Å; F123-L175 PolarHBondContact O-N 2.59Å; F123-L219 HydrophobicContact CD1-CD1 4.48Å; F123-L219 HydrophobicContact CD2-CD2 4.38Å; F123-L219 HydrophobicContact CE1-CD1 4.39Å; F123-L219 HydrophobicContact CE2-CD2 3.81Å; F123-L219 HydrophobicContact CZ-CD1 4.41Å; F123-L219 HydrophobicContact CZ-CD2 4.05Å; F123-L219 HydrophobicContact CZ-CG 4.47Å; F123-I223 HydrophobicContact CE1-CD1 3.8Å; F123-I223 HydrophobicContact CE1-CG1 4.45Å; F123-I223 HydrophobicContact CZ-CD1 4.14Å
124W93.2Very high88.7Confident3 Ų355.4 Ų55.41%0.01128%0.275CS..EExtended strand (participates in β ladder)trans-114.7148.5-179.362.8-89.6000112Y116 P122 A127 Q145 M151 I169 P171 Y174Y116-W124 AromaticContact CD2-CD1 3.64Å; Y116-W124 AromaticContact CD2-NE1 3.87Å; Y116-W124 AromaticContact CE2-CD1 3.59Å; Y116-W124 AromaticContact CE2-NE1 3.85Å; P122-W124 PolarHBondContact O-N 3.04Å; W124-A127 HydrophobicContact CD2-CB 4.31Å; W124-A127 HydrophobicContact CE3-CB 3.66Å; W124-A127 HydrophobicContact CH2-CB 4.04Å; W124-A127 HydrophobicContact CZ3-CB 3.51Å; W124-Q145 HydrophobicContact CD2-CB 4.17Å; W124-Q145 HydrophobicContact CE3-CB 3.83Å; W124-Q145 HydrophobicContact CH2-CB 3.66Å; W124-Q145 HydrophobicContact CZ2-CB 4Å; W124-Q145 HydrophobicContact CZ3-CB 3.57Å; W124-Q145 WeakPolarHBondContact O-CB 3.39Å; W124-M151 HydrophobicContact CH2-CE 3.92Å; W124-M151 HydrophobicContact CH2-CG 3.9Å; W124-M151 HydrophobicContact CH2-SD 4Å; W124-M151 HydrophobicContact CZ2-CE 4.36Å; W124-M151 HydrophobicContact CZ2-CG 4.18Å; W124-M151 HydrophobicContact CZ2-SD 3.99Å; W124-I169 HydrophobicContact CH2-CG2 4.26Å; W124-I169 HydrophobicContact CZ2-CD1 4.27Å; W124-I169 HydrophobicContact CZ2-CG2 3.85Å; W124-P171 HydrophobicContact CB-CB 3.61Å; W124-P171 HydrophobicContact CB-CG 4.09Å; W124-P171 HydrophobicContact CD2-CB 4.28Å; W124-P171 HydrophobicContact CD2-CG 4.26Å; W124-P171 HydrophobicContact CG-CB 3.84Å; W124-P171 HydrophobicContact CG-CG 3.85Å; W124-Y174 HydrophobicContact CB-CD1 3.83Å; W124-Y174 HydrophobicContact CB-CE1 3.99Å
125I93.3Very high88.3Confident0 Ų052.5 Ų52.50%027%0.266CS..EExtended strand (participates in β ladder)trans-104.1-44.6-179.4-50.8179.9000110Q144 Q145 M173 L175 I223 Q226 M227I125-Q144 CarbonylContact O-C 3.47Å; I125-Q144 VanDerWaalsContact O-CA 3.22Å; I125-Q144 WeakPolarHBondContact O-CA 3.39Å; I125-Q145 PolarHBondContact O-N 3.36Å; I125-M173 HydrophobicContact CB-CG 4.26Å; I125-M173 HydrophobicContact CB-SD 4.04Å; I125-M173 HydrophobicContact CD1-SD 4.22Å; I125-M173 HydrophobicContact CG2-SD 4.25Å; I125-M173 PolarHBondContact N-O 2.93Å; I125-L175 HydrophobicContact CD1-CB 4.22Å; I125-L175 HydrophobicContact CD1-CD1 3.98Å; I125-L175 HydrophobicContact CG1-CB 4.21Å; I125-I223 HydrophobicContact CD1-CG1 4.29Å; I125-I223 HydrophobicContact CG1-CG1 4.3Å; I125-I223 HydrophobicContact CG2-CG2 3.86Å; I125-Q226 HydrophobicContact CD1-CB 4.13Å; I125-Q226 HydrophobicContact CD1-CG 4.2Å; I125-M227 HydrophobicContact CG2-CG 4.09Å; I125-M227 HydrophobicContact CG2-SD 3.7Å
126M94.2Very high87.9Confident18 Ų1851.9 Ų51.99%0.08927%0.272CS..EExtended strand (participates in β ladder)trans-130.6135.2-176.2-57.1-76.2-7700111.9I142 Y143 Q144 L154 P171 Y172 M173 M227M126-I142 HydrophobicContact CE-CG2 3.89Å; M126-Y143 WeakPolarHBondContact CA-O 3.44Å; M126-Q144 HydrophobicContact SD-CB 3.9Å; M126-Q144 HydrophobicContact SD-CG 4.05Å; M126-L154 HydrophobicContact CE-CD1 3.53Å; M126-L154 HydrophobicContact SD-CD1 3.85Å; M126-P171 WeakPolarHBondContact O-CA 3.31Å; M126-Y172 HydrophobicContact CB-CD2 4.39Å; M126-Y172 HydrophobicContact CB-CE1 3.96Å; M126-Y172 HydrophobicContact CB-CE2 3.81Å; M126-Y172 WeakPolarHBondContact CE-OH 3.5Å; M126-Y172 PolarHBondContact O-N 3.43Å; M126-M173 HydrophobicContact CB-CB 3.81Å; M126-M173 HydrophobicContact CG-CB 4.14Å; M126-M173 HydrophobicContact CG-CE 4.38Å; M126-M173 HydrophobicContact CG-SD 3.99Å; M126-M173 PolarHBondContact N-O 3Å; M126-M173 PolarHBondContact O-N 2.79Å; M126-M227 HydrophobicContact CE-CE 4.4Å; M126-M227 HydrophobicContact CG-CE 4.5Å; M126-M227 HydrophobicContact CG-SD 4.02Å; M126-M227 HydrophobicContact SD-CE 3.95Å; M126-M227 HydrophobicContact SD-SD 4.13Å
127A94.6Very high87.4Confident0 Ų051.8 Ų51.80%027%0.274CS..EExtended strand (participates in β ladder)trans-140.8145.8179.300000113.8W124 V129 Y143 I169 P171W124-A127 HydrophobicContact CD2-CB 4.31Å; W124-A127 HydrophobicContact CE3-CB 3.66Å; W124-A127 HydrophobicContact CH2-CB 4.04Å; W124-A127 HydrophobicContact CZ3-CB 3.51Å; A127-V129 HydrophobicContact CB-CG2 4.03Å; A127-Y143 PolarHBondContact N-O 3.12Å; A127-Y143 PolarHBondContact O-N 3.35Å; A127-I169 HydrophobicContact CB-CG2 3.62Å; A127-P171 HydrophobicContact CB-CB 4.22Å; A127-P171 HydrophobicContact CB-CG 4.43Å
128V93.7Very high87.6Confident0 Ų053.7 Ų53.70%028%0.278CS..EExtended strand (participates in β ladder)trans-81.9122.8161.4173.20000107.1A101 A105 L107 L112 Y140 I142 H170 Y172A101-V128 HydrophobicContact CB-CG1 3.92Å; A101-V128 HydrophobicContact CB-CG2 4.48Å; A105-V128 HydrophobicContact CB-CG2 3.87Å; L107-V128 HydrophobicContact CD1-CG2 4.34Å; L112-V128 HydrophobicContact CD2-CB 4.32Å; L112-V128 HydrophobicContact CD2-CG1 3.66Å; V128-Y140 HydrophobicContact CG1-CD1 3.64Å; V128-Y140 HydrophobicContact CG1-CE1 4.39Å; V128-Y140 HydrophobicContact CG1-CG 4.29Å; V128-I142 HydrophobicContact CG2-CD1 3.88Å; V128-H170 HydrophobicContact CB-CB 4.47Å; V128-H170 PolarHBondContact N-O 3.12Å; V128-H170 WeakPolarHBondContact O-CA 3.41Å; V128-H170 WeakPolarHBondContact O-CB 3.45Å; V128-H170 PolarHBondContact O-N 3.02Å; V128-Y172 HydrophobicContact CG2-CD1 4Å; V128-Y172 HydrophobicContact CG2-CE1 3.99Å
129V94.4Very high88Confident0 Ų047.5 Ų47.50%025%0.245CC..EExtended strand (participates in β ladder)trans-123.4122.9-171.8-176.70000109.7A127 V131 Y140 C141 Y143 M151 I166 S168 I169A127-V129 HydrophobicContact CB-CG2 4.03Å; V129-V131 HydrophobicContact CG1-CG1 3.79Å; V129-Y140 CarbonylContact O-C 3.58Å; V129-Y140 VanDerWaalsContact O-CA 3.31Å; V129-Y140 WeakPolarHBondContact O-CA 3.37Å; V129-C141 PolarHBondContact N-O 3.02Å; V129-C141 PolarHBondContact O-N 2.86Å; V129-Y143 HydrophobicContact CB-CD2 3.65Å; V129-Y143 HydrophobicContact CB-CE2 4.14Å; V129-Y143 HydrophobicContact CG1-CD2 4.13Å; V129-Y143 HydrophobicContact CG1-CE2 4.23Å; V129-Y143 HydrophobicContact CG2-CD2 3.62Å; V129-Y143 HydrophobicContact CG2-CG 4.03Å; V129-M151 HydrophobicContact CG1-CE 4.36Å; V129-M151 HydrophobicContact CG2-CE 3.99Å; V129-I166 HydrophobicContact CG1-CB 4.45Å; V129-I166 HydrophobicContact CG1-CG1 4.14Å; V129-I166 HydrophobicContact CG1-CG2 3.63Å; V129-S168 CarbonylContact C-O 3.58Å; V129-S168 WeakPolarHBondContact CA-O 3.33Å; V129-S168 WeakPolarHBondContact CG1-O 3.14Å; V129-I169 HydrophobicContact CG1-CG1 4.16Å; V129-I169 HydrophobicContact CG2-CG1 4.28Å; V129-I169 HydrophobicContact CG2-CG2 4.3Å
130L93.5Very high88.7Confident26 Ų2645.2 Ų45.214%0.13621%0.213CC..EExtended strand (participates in β ladder)trans-80.1121169-176.160.6000108.5E138 Y140 K167 S168L130-E138 HydrophobicContact CD1-CB 4.18Å; L130-Y140 HydrophobicContact CB-CD1 3.91Å; L130-Y140 HydrophobicContact CB-CE1 3.69Å; L130-Y140 HydrophobicContact CD1-CD1 4.2Å; L130-Y140 HydrophobicContact CD1-CD2 3.97Å; L130-Y140 HydrophobicContact CD1-CE1 4.06Å; L130-Y140 HydrophobicContact CD1-CE2 3.83Å; L130-Y140 HydrophobicContact CD1-CG 4.19Å; L130-Y140 HydrophobicContact CG-CE1 4.32Å; L130-K167 HydrophobicContact CB-CB 4.27Å; L130-K167 HydrophobicContact CD2-CB 4.01Å; L130-K167 HydrophobicContact CG-CB 3.97Å; L130-K167 PolarHBondContact O-N 2.78Å; L130-S168 WeakPolarHBondContact CB-OG 3.35Å; L130-S168 PolarHBondContact N-O 3.38Å; L130-S168 PolarHBondContact O-N 2.85Å
131V93.2Very high89.2Confident0 Ų037.1 Ų37.10%018%0.178CC..EExtended strand (participates in β ladder)trans-119.1149.9177.9-59.80000110.9V129 E138 C139 C141 Y143 I163 S165 I166V129-V131 HydrophobicContact CG1-CG1 3.79Å; V131-E138 WeakPolarHBondContact O-CA 3.47Å; V131-C139 WeakPolarHBondContact CG2-O 3.4Å; V131-C139 PolarHBondContact N-O 3.07Å; V131-C139 PolarHBondContact O-N 3.03Å; V131-C141 WeakPolarHBondContact CG2-SG 3.33Å; V131-Y143 HydrophobicContact CG1-CE2 4.08Å; V131-I163 HydrophobicContact CB-CD1 4.39Å; V131-I163 HydrophobicContact CB-CG1 4.34Å; V131-I163 HydrophobicContact CB-CG2 3.86Å; V131-I163 HydrophobicContact CG1-CD1 4.32Å; V131-I163 HydrophobicContact CG1-CG2 4.09Å; V131-I163 HydrophobicContact CG2-CD1 3.94Å; V131-I163 HydrophobicContact CG2-CG1 3.92Å; V131-I163 HydrophobicContact CG2-CG2 4.39Å; V131-S165 CarbonylContact C-O 3.58Å; V131-S165 WeakPolarHBondContact CA-O 3.38Å; V131-I166 HydrophobicContact CG1-CG1 4.19Å
132Q90.7Very high89.8Confident46 Ų4636.2 Ų36.222%0.21517%0.173CC..EExtended strand (participates in β ladder)trans-104.2129.5165.9-175.7166.740.600110.1L136 E137 E138 M164 S165 K167Q132-L136 PolarHBondContact NE2-O 2.84Å; Q132-L136 VanDerWaalsContact NE2-O 3.15Å; Q132-E137 CarbonylContact C-O 3.57Å; Q132-E137 WeakPolarHBondContact CA-O 3.45Å; Q132-E138 HydrophobicContact CB-CG 4.22Å; Q132-E138 HydrophobicContact CG-CG 4.22Å; Q132-M164 PolarHBondContact O-N 2.84Å; Q132-S165 PolarHBondContact N-O 3.29Å; Q132-S165 PolarHBondContact O-N 3.29Å; Q132-S165 VanDerWaalsContact O-N 3.16Å; Q132-K167 HydrophobicContact CB-CG 4.33Å; Q132-K167 VanDerWaalsContact OE1-CE 3.3Å
133K89.2Confident90.2Very high0 Ų033.7 Ų33.70%015%0.154CC..EExtended strand (participates in β ladder)trans-96.4168.9-178.9-76.2172.1168170.60112.9N135 L136 E137 C139 D156 G158 T159 S161 P162 I163K133-N135 VanDerWaalsContact C-N 3.28Å; K133-N135 WeakPolarHBondContact CB-OD1 3.43Å; K133-N135 PolarHBondContact O-N 3.15Å; K133-L136 WeakPolarHBondContact O-CA 3.43Å; K133-L136 PolarHBondContact O-N 3.19Å; K133-E137 HydrophobicContact CB-CB 4.44Å; K133-E137 PolarHBondContact N-O 3.02Å; K133-C139 WeakPolarHBondContact CE-SG 3.25Å; K133-C139 PolarHBondContact NZ-SG 3.26Å; K133-D156 WeakPolarHBondContact CE-OD2 3.37Å; K133-D156 IonicContact NZ-OD1 2.72Å; K133-D156 PolarHBondContact NZ-OD1 2.91Å; K133-D156 IonicContact NZ-OD2 3.5Å; K133-D156 PolarHBondContact NZ-OD2 2.8Å; K133-G158 PolarHBondContact NZ-O 2.79Å; K133-T159 WeakPolarHBondContact CE-O 3.5Å; K133-T159 PolarHBondContact NZ-O 3.45Å; K133-S161 WeakPolarHBondContact CG-O 3.43Å; K133-P162 CarbonylContact C-O 3.56Å; K133-P162 WeakPolarHBondContact CA-O 3.37Å; K133-I163 HydrophobicContact CG-CG1 4.1Å
134R82.9Confident90.4Very high182 Ų18233.2 Ų33.269%0.68715%0.152SC*.THydrogen-bonded Turntrans-68-23.3-175.2-170.4175.2-180-163.8-1.1114.5L136 P162 M164R134-L136 PolarHBondContact O-N 2.98Å; R134-P162 HydrophobicContact CB-CB 4.5Å; R134-P162 WeakPolarHBondContact CB-O 3.01Å; R134-P162 PolarHBondContact N-O 2.93Å; R134-M164 HydrophobicContact CB-CG 3.99Å; R134-M164 HydrophobicContact CB-SD 4.03Å; R134-M164 HydrophobicContact CG-CG 4.43Å; R134-M164 HydrophobicContact CG-SD 3.98Å
135N81Confident90.3Very high72 Ų7233.9 Ų33.939%0.38516%0.156SC..THydrogen-bonded Turntrans-75.22.6167.463-8.8000113.8K133 E137 T159 S161K133-N135 VanDerWaalsContact C-N 3.28Å; K133-N135 WeakPolarHBondContact CB-OD1 3.43Å; K133-N135 PolarHBondContact O-N 3.15Å; N135-E137 WeakPolarHBondContact ND2-CB 3.05Å; N135-E137 PolarHBondContact ND2-OE2 3.13Å; N135-E137 PolarHBondContact O-N 2.85Å; N135-E137 WeakPolarHBondContact OD1-CB 3.04Å; N135-E137 PolarHBondContact OD1-N 2.9Å; N135-T159 PolarHBondContact ND2-OG1 2.99Å; N135-S161 PolarHBondContact N-OG 2.73Å
136L80.4Confident90.2Very high129 Ų12936.8 Ų36.868%0.67517%0.171SC*.SBendtrans72.5-0.4-173.2-50.7176.8000116Q132 K133 R134Q132-L136 PolarHBondContact NE2-O 2.84Å; Q132-L136 VanDerWaalsContact NE2-O 3.15Å; K133-L136 WeakPolarHBondContact O-CA 3.43Å; K133-L136 PolarHBondContact O-N 3.19Å; R134-L136 PolarHBondContact O-N 2.98Å
137E80.2Confident90Very high49 Ų4936.3 Ų36.323%0.22917%0.17CC..  trans-59.1138.4173-176.9-172.3178.200111Q132 K133 N135 C139 G158 T159Q132-E137 CarbonylContact C-O 3.57Å; Q132-E137 WeakPolarHBondContact CA-O 3.45Å; K133-E137 HydrophobicContact CB-CB 4.44Å; K133-E137 PolarHBondContact N-O 3.02Å; N135-E137 WeakPolarHBondContact ND2-CB 3.05Å; N135-E137 PolarHBondContact ND2-OE2 3.13Å; N135-E137 PolarHBondContact O-N 2.85Å; N135-E137 WeakPolarHBondContact OD1-CB 3.04Å; N135-E137 PolarHBondContact OD1-N 2.9Å; E137-C139 HydrophobicContact CG-CB 4.37Å; E137-G158 WeakPolarHBondContact OE1-CA 3.36Å; E137-T159 PolarHBondContact OE1-N 2.86Å; E137-T159 WeakPolarHBondContact OE2-CB 3.31Å; E137-T159 WeakPolarHBondContact OE2-CG2 3.14Å; E137-T159 PolarHBondContact OE2-N 2.89Å; E137-T159 VanDerWaalsContact OE2-N 3.1Å; E137-T159 PolarHBondContact OE2-OG1 2.72Å
138E89.6Confident89.6Confident99 Ų9939.8 Ų39.846%0.46319%0.189SC..EExtended strand (participates in β ladder)trans-105.3122.1164.9-60-166.7148.800108.6L130 V131 Q132 K167L130-E138 HydrophobicContact CD1-CB 4.18Å; V131-E138 WeakPolarHBondContact O-CA 3.47Å; Q132-E138 HydrophobicContact CB-CG 4.22Å; Q132-E138 HydrophobicContact CG-CG 4.22Å; E138-K167 IonicContact OE1-NZ 2.8Å; E138-K167 PolarHBondContact OE1-NZ 3.1Å
139C88.9Confident89.1Confident0 Ų046.1 Ų46.10%022%0.216CC..EExtended strand (participates in β ladder)trans-139.6154.7-178.866.20000111S97 V131 K133 E137S97-C139 WeakPolarHBondContact OG-CA 3.32Å; V131-C139 WeakPolarHBondContact CG2-O 3.4Å; V131-C139 PolarHBondContact N-O 3.07Å; V131-C139 PolarHBondContact O-N 3.03Å; K133-C139 WeakPolarHBondContact CE-SG 3.25Å; K133-C139 PolarHBondContact NZ-SG 3.26Å; E137-C139 HydrophobicContact CG-CB 4.37Å
140Y91.6Very high88.8Confident28 Ų2854.3 Ų54.311%0.1125%0.248CC..EExtended strand (participates in β ladder)trans-85.8153.5171.4-65.2-91.5000111.5S97 E98 L112 V128 V129 L130 F157S97-Y140 PolarHBondContact OG-N 3Å; E98-Y140 HydrophobicContact CB-CD2 3.5Å; E98-Y140 VanDerWaalsContact CB-CD2 3.5Å; E98-Y140 HydrophobicContact CB-CE2 3.39Å; E98-Y140 HydrophobicContact CB-CG 4.36Å; E98-Y140 HydrophobicContact CG-CD2 3.89Å; E98-Y140 HydrophobicContact CG-CE1 4.43Å; E98-Y140 HydrophobicContact CG-CE2 3.48Å; E98-Y140 VanDerWaalsContact CG-CE2 3.48Å; E98-Y140 HydrophobicContact CG-CG 4.49Å; E98-Y140 WeakPolarHBondContact OE2-CE2 3.49Å; E98-Y140 VanDerWaalsContact OE2-CZ 3.26Å; E98-Y140 PolarHBondContact OE2-OH 2.64Å; L112-Y140 HydrophobicContact CD1-CE1 3.96Å; L112-Y140 VanDerWaalsContact CD1-OH 3.28Å; L112-Y140 WeakPolarHBondContact CD1-OH 3.35Å; L112-Y140 HydrophobicContact CD2-CD1 4.35Å; L112-Y140 HydrophobicContact CD2-CE1 3.87Å; V128-Y140 HydrophobicContact CG1-CD1 3.64Å; V128-Y140 HydrophobicContact CG1-CE1 4.39Å; V128-Y140 HydrophobicContact CG1-CG 4.29Å; V129-Y140 CarbonylContact O-C 3.58Å; V129-Y140 VanDerWaalsContact O-CA 3.31Å; V129-Y140 WeakPolarHBondContact O-CA 3.37Å; L130-Y140 HydrophobicContact CB-CD1 3.91Å; L130-Y140 HydrophobicContact CB-CE1 3.69Å; L130-Y140 HydrophobicContact CD1-CD1 4.2Å; L130-Y140 HydrophobicContact CD1-CD2 3.97Å; L130-Y140 HydrophobicContact CD1-CE1 4.06Å; L130-Y140 HydrophobicContact CD1-CE2 3.83Å; L130-Y140 HydrophobicContact CD1-CG 4.19Å; L130-Y140 HydrophobicContact CG-CE1 4.32Å; Y140-F157 WeakPolarHBondContact O-CD2 3.49Å; Y140-F157 PolarHBondContact O-N 2.79Å
141C92.1Very high88.7Confident0 Ų055.6 Ų55.60%026%0.255CS..EExtended strand (participates in β ladder)trans-142.3156.8177.1-57.90000109.7V129 V131 Y143 L153 Q155 D156V129-C141 PolarHBondContact N-O 3.02Å; V129-C141 PolarHBondContact O-N 2.86Å; V131-C141 WeakPolarHBondContact CG2-SG 3.33Å; C141-Y143 HydrophobicContact CB-CD2 4.05Å; C141-Y143 HydrophobicContact CB-CE2 3.87Å; C141-L153 HydrophobicContact CB-CD1 3.62Å; C141-Q155 CarbonylContact C-O 3.58Å; C141-Q155 VanDerWaalsContact CA-O 3.22Å; C141-Q155 WeakPolarHBondContact CA-O 3.27Å; C141-Q155 VanDerWaalsContact CB-O 3.27Å; C141-Q155 WeakPolarHBondContact CB-O 3.22Å; C141-D156 PolarHBondContact SG-OD1 2.84Å
142I93.7Very high88.6Confident6 Ų660.7 Ų60.73%0.03128%0.276CS..EExtended strand (participates in β ladder)trans-91.2130.1164.6-53.4-50000109.3A101 A104 A105 M126 V128 L154 Q155 F157 Y172A101-I142 HydrophobicContact CB-CD1 4.35Å; A104-I142 HydrophobicContact CB-CD1 4.49Å; A104-I142 HydrophobicContact CB-CG1 4.27Å; A105-I142 HydrophobicContact CB-CD1 4.27Å; M126-I142 HydrophobicContact CE-CG2 3.89Å; V128-I142 HydrophobicContact CG2-CD1 3.88Å; I142-L154 HydrophobicContact CB-CB 4.44Å; I142-L154 HydrophobicContact CG2-CB 4.32Å; I142-L154 HydrophobicContact CG2-CD1 4.28Å; I142-L154 PolarHBondContact O-N 2.86Å; I142-Q155 HydrophobicContact CB-CB 4.21Å; I142-Q155 HydrophobicContact CG1-CB 4.24Å; I142-Q155 PolarHBondContact N-O 2.93Å; I142-Q155 PolarHBondContact O-N 3.4Å; I142-F157 HydrophobicContact CD1-CE2 4.05Å; I142-F157 HydrophobicContact CD1-CZ 4.44Å; I142-F157 HydrophobicContact CG1-CE2 3.8Å; I142-F157 HydrophobicContact CG1-CZ 3.94Å; I142-Y172 HydrophobicContact CD1-CE1 4.49Å; I142-Y172 WeakPolarHBondContact CG2-OH 3.47Å
143Y94.2Very high88.7Confident21 Ų2162 Ų628%0.08229%0.285CS..EExtended strand (participates in β ladder)trans-122.6142171.6-84.7-96.3000111.8M126 A127 V129 V131 C141 M151 K152 L153 I163M126-Y143 WeakPolarHBondContact CA-O 3.44Å; A127-Y143 PolarHBondContact N-O 3.12Å; A127-Y143 PolarHBondContact O-N 3.35Å; V129-Y143 HydrophobicContact CB-CD2 3.65Å; V129-Y143 HydrophobicContact CB-CE2 4.14Å; V129-Y143 HydrophobicContact CG1-CD2 4.13Å; V129-Y143 HydrophobicContact CG1-CE2 4.23Å; V129-Y143 HydrophobicContact CG2-CD2 3.62Å; V129-Y143 HydrophobicContact CG2-CG 4.03Å; V131-Y143 HydrophobicContact CG1-CE2 4.08Å; C141-Y143 HydrophobicContact CB-CD2 4.05Å; C141-Y143 HydrophobicContact CB-CE2 3.87Å; Y143-M151 HydrophobicContact CD1-CB 3.73Å; Y143-M151 HydrophobicContact CD1-CE 3.81Å; Y143-M151 HydrophobicContact CD2-CE 4.31Å; Y143-M151 HydrophobicContact CE1-CB 4.14Å; Y143-M151 HydrophobicContact CE1-CE 4.29Å; Y143-M151 HydrophobicContact CG-CE 3.78Å; Y143-K152 WeakPolarHBondContact CA-O 3.48Å; Y143-K152 VanDerWaalsContact CD1-C 3.44Å; Y143-K152 WeakPolarHBondContact CD1-O 3.49Å; Y143-L153 HydrophobicContact CD1-CB 4.26Å; Y143-L153 HydrophobicContact CD2-CD1 4.1Å; Y143-L153 HydrophobicContact CE1-CB 3.78Å; Y143-L153 HydrophobicContact CE1-CD1 4.41Å; Y143-L153 HydrophobicContact CE2-CD1 3.66Å; Y143-I163 VanDerWaalsContact OH-CD1 3.31Å; Y143-I163 WeakPolarHBondContact OH-CD1 3.36Å
144Q93.7Very high88.8Confident18 Ų1865.6 Ų65.68%0.08430%0.303CS..EExtended strand (participates in β ladder)trans-97.7143.2164.3-174.9179.31300109.4I125 M126 M151 K152 L154I125-Q144 CarbonylContact O-C 3.47Å; I125-Q144 VanDerWaalsContact O-CA 3.22Å; I125-Q144 WeakPolarHBondContact O-CA 3.39Å; M126-Q144 HydrophobicContact SD-CB 3.9Å; M126-Q144 HydrophobicContact SD-CG 4.05Å; Q144-M151 CarbonylContact O-C 3.54Å; Q144-M151 WeakPolarHBondContact O-CA 3.29Å; Q144-K152 HydrophobicContact CB-CB 4.41Å; Q144-K152 PolarHBondContact N-O 2.95Å; Q144-K152 PolarHBondContact O-N 2.99Å; Q144-K152 VanDerWaalsContact OE1-NZ 3.13Å; Q144-L154 HydrophobicContact CB-CD1 3.85Å; Q144-L154 HydrophobicContact CB-CD2 4.38Å; Q144-L154 HydrophobicContact CB-CG 4.04Å
145Q92.3Very high89.2Confident18 Ų1861.6 Ų61.68%0.08429%0.293CS..EExtended strand (participates in β ladder)trans-107.3127.1167.2167.5156.787.700110.1F123 W124 I125 K149F123-Q145 HydrophobicContact CE1-CG 4.23Å; F123-Q145 HydrophobicContact CZ-CG 3.94Å; W124-Q145 HydrophobicContact CD2-CB 4.17Å; W124-Q145 HydrophobicContact CE3-CB 3.83Å; W124-Q145 HydrophobicContact CH2-CB 3.66Å; W124-Q145 HydrophobicContact CZ2-CB 4Å; W124-Q145 HydrophobicContact CZ3-CB 3.57Å; W124-Q145 WeakPolarHBondContact O-CB 3.39Å; I125-Q145 PolarHBondContact O-N 3.36Å; Q145-K149 PolarHBondContact NE2-O 3.22Å
146N90.4Very high89.6Confident60 Ų6060.8 Ų60.832%0.32129%0.288SS..  trans-84.8168.1175.4-69.63.2000111F123 D148 K149 Y150F123-N146 WeakPolarHBondContact CZ-O 3.07Å; N146-D148 VanDerWaalsContact C-N 3.28Å; N146-D148 WeakPolarHBondContact CB-OD1 3.47Å; N146-D148 PolarHBondContact O-N 2.83Å; N146-K149 VanDerWaalsContact O-CA 3.27Å; N146-K149 WeakPolarHBondContact O-CA 3.47Å; N146-K149 PolarHBondContact O-N 3.34Å; N146-Y150 PolarHBondContact N-O 2.98Å
147A89.2Confident89.9Confident9 Ų956.3 Ų56.37%0.07426%0.263CS..THydrogen-bonded Turntrans-58.2-34.6179.200000114.3K149 L219 E220 I223A147-K149 PolarHBondContact O-N 3.47Å; A147-K149 VanDerWaalsContact O-N 3.12Å; A147-L219 HydrophobicContact CB-CB 3.98Å; A147-L219 HydrophobicContact CB-CD2 3.8Å; A147-L219 HydrophobicContact CB-CG 3.66Å; A147-E220 HydrophobicContact CB-CB 4.42Å; A147-E220 HydrophobicContact CB-CG 3.37Å; A147-I223 HydrophobicContact CB-CD1 4.24Å
148D86.7Confident90Very high73 Ų7354.9 Ų54.939%0.3926%0.262SS..THydrogen-bonded Turntrans-68.1-1.2172.664.95000113.7N146 Y150 H216N146-D148 VanDerWaalsContact C-N 3.28Å; N146-D148 WeakPolarHBondContact CB-OD1 3.47Å; N146-D148 PolarHBondContact O-N 2.83Å; D148-Y150 HydrophobicContact CB-CD2 3.94Å; D148-Y150 WeakPolarHBondContact O-CD2 3.3Å; D148-Y150 PolarHBondContact O-N 2.98Å; D148-Y150 WeakPolarHBondContact OD1-CB 3.44Å; D148-Y150 PolarHBondContact OD1-N 2.97Å; D148-Y150 WeakPolarHBondContact OD2-CD2 3.18Å; D148-H216 PolarHBondContact N-NE2 3.01Å
149K84.4Confident89.4Confident132 Ų13251.5 Ų51.557%0.57425%0.248SC*.  trans68.54.8-173.1-57.8-174177.2-171.60115.7F123 Q145 N146 A147F123-K149 HydrophobicContact CE2-CG 4.06Å; Q145-K149 PolarHBondContact NE2-O 3.22Å; N146-K149 VanDerWaalsContact O-CA 3.27Å; N146-K149 WeakPolarHBondContact O-CA 3.47Å; N146-K149 PolarHBondContact O-N 3.34Å; A147-K149 PolarHBondContact O-N 3.47Å; A147-K149 VanDerWaalsContact O-N 3.12Å
150Y87.5Confident89Confident172 Ų17257.2 Ų57.268%0.67529%0.285SS*.  trans-68.8141.4175-76.3-109.3000110.7N146 D148N146-Y150 PolarHBondContact N-O 2.98Å; D148-Y150 HydrophobicContact CB-CD2 3.94Å; D148-Y150 WeakPolarHBondContact O-CD2 3.3Å; D148-Y150 PolarHBondContact O-N 2.98Å; D148-Y150 WeakPolarHBondContact OD1-CB 3.44Å; D148-Y150 PolarHBondContact OD1-N 2.97Å; D148-Y150 WeakPolarHBondContact OD2-CD2 3.18Å
151M91Very high88.3Confident54 Ų5457.2 Ų57.227%0.26629%0.289SS..EExtended strand (participates in β ladder)trans-98.8111.7-177.1-72-179.85500110.8W124 V129 Y143 Q144 I166 I169W124-M151 HydrophobicContact CH2-CE 3.92Å; W124-M151 HydrophobicContact CH2-CG 3.9Å; W124-M151 HydrophobicContact CH2-SD 4Å; W124-M151 HydrophobicContact CZ2-CE 4.36Å; W124-M151 HydrophobicContact CZ2-CG 4.18Å; W124-M151 HydrophobicContact CZ2-SD 3.99Å; V129-M151 HydrophobicContact CG1-CE 4.36Å; V129-M151 HydrophobicContact CG2-CE 3.99Å; Y143-M151 HydrophobicContact CD1-CB 3.73Å; Y143-M151 HydrophobicContact CD1-CE 3.81Å; Y143-M151 HydrophobicContact CD2-CE 4.31Å; Y143-M151 HydrophobicContact CE1-CB 4.14Å; Y143-M151 HydrophobicContact CE1-CE 4.29Å; Y143-M151 HydrophobicContact CG-CE 3.78Å; Q144-M151 CarbonylContact O-C 3.54Å; Q144-M151 WeakPolarHBondContact O-CA 3.29Å; M151-I166 HydrophobicContact CE-CD1 3.7Å; M151-I166 HydrophobicContact SD-CD1 3.95Å; M151-I169 HydrophobicContact CE-CD1 4.07Å; M151-I169 HydrophobicContact CE-CG1 4.38Å; M151-I169 HydrophobicContact SD-CD1 3.88Å
152K91.8Very high88Confident106 Ų10661.3 Ų61.346%0.46132%0.316SS..EExtended strand (participates in β ladder)trans-90.9118.5176.2175.5-175.3167.4-156.80109.7Y143 Q144 L154Y143-K152 WeakPolarHBondContact CA-O 3.48Å; Y143-K152 VanDerWaalsContact CD1-C 3.44Å; Y143-K152 WeakPolarHBondContact CD1-O 3.49Å; Q144-K152 HydrophobicContact CB-CB 4.41Å; Q144-K152 PolarHBondContact N-O 2.95Å; Q144-K152 PolarHBondContact O-N 2.99Å; Q144-K152 VanDerWaalsContact OE1-NZ 3.13Å; K152-L154 HydrophobicContact CD-CD2 4.07Å; K152-L154 HydrophobicContact CG-CD2 4.15Å; K152-L154 PolarHBondContact O-N 3.34Å
153L92.2Very high87.7Confident74 Ų7463.6 Ų63.639%0.38733%0.328SS..EExtended strand (participates in β ladder)trans-66.5125.5170.9177.365.7000108.8C141 Y143 I163C141-L153 HydrophobicContact CB-CD1 3.62Å; Y143-L153 HydrophobicContact CD1-CB 4.26Å; Y143-L153 HydrophobicContact CD2-CD1 4.1Å; Y143-L153 HydrophobicContact CE1-CB 3.78Å; Y143-L153 HydrophobicContact CE1-CD1 4.41Å; Y143-L153 HydrophobicContact CE2-CD1 3.66Å; L153-I163 HydrophobicContact CD2-CD1 4.14Å
154L91.1Very high87.5Confident75 Ų7568.9 Ų68.939%0.39335%0.354SS..EExtended strand (participates in β ladder)trans-103-43.5175.7-66.3-175.8000112.1M126 I142 Q144 K152M126-L154 HydrophobicContact CE-CD1 3.53Å; M126-L154 HydrophobicContact SD-CD1 3.85Å; I142-L154 HydrophobicContact CB-CB 4.44Å; I142-L154 HydrophobicContact CG2-CB 4.32Å; I142-L154 HydrophobicContact CG2-CD1 4.28Å; I142-L154 PolarHBondContact O-N 2.86Å; Q144-L154 HydrophobicContact CB-CD1 3.85Å; Q144-L154 HydrophobicContact CB-CD2 4.38Å; Q144-L154 HydrophobicContact CB-CG 4.04Å; K152-L154 HydrophobicContact CD-CD2 4.07Å; K152-L154 HydrophobicContact CG-CD2 4.15Å; K152-L154 PolarHBondContact O-N 3.34Å
155Q90.2Very high87.3Confident99 Ų9970.3 Ų70.346%0.46337%0.366SS..EExtended strand (participates in β ladder)trans-148.2143.1-176.4-161.3171.710.100110.9C141 I142 F157C141-Q155 CarbonylContact C-O 3.58Å; C141-Q155 VanDerWaalsContact CA-O 3.22Å; C141-Q155 WeakPolarHBondContact CA-O 3.27Å; C141-Q155 VanDerWaalsContact CB-O 3.27Å; C141-Q155 WeakPolarHBondContact CB-O 3.22Å; I142-Q155 HydrophobicContact CB-CB 4.21Å; I142-Q155 HydrophobicContact CG1-CB 4.24Å; I142-Q155 PolarHBondContact N-O 2.93Å; I142-Q155 PolarHBondContact O-N 3.4Å; Q155-F157 HydrophobicContact CB-CE2 4.38Å; Q155-F157 HydrophobicContact CB-CZ 3.95Å; Q155-F157 HydrophobicContact CG-CD1 4.44Å; Q155-F157 HydrophobicContact CG-CE1 3.66Å; Q155-F157 HydrophobicContact CG-CE2 4.32Å; Q155-F157 HydrophobicContact CG-CZ 3.56Å
156D90.1Very high87.3Confident55 Ų5573.1 Ų73.129%0.29438%0.381SS..EExtended strand (participates in β ladder)trans-127.9129.5-177.2-177.80.1000109.2K133 C141 G158K133-D156 WeakPolarHBondContact CE-OD2 3.37Å; K133-D156 IonicContact NZ-OD1 2.72Å; K133-D156 PolarHBondContact NZ-OD1 2.91Å; K133-D156 IonicContact NZ-OD2 3.5Å; K133-D156 PolarHBondContact NZ-OD2 2.8Å; C141-D156 PolarHBondContact SG-OD1 2.84Å; D156-G158 PolarHBondContact OD1-N 3.33Å
157F87.6Confident87.3Confident34 Ų3473.6 Ų73.615%0.14938%0.381CS..  trans-112.710.8-176.5-48.2-78.9000113.1S97 L100 A101 A104 Y140 I142 Q155S97-F157 VanDerWaalsContact CB-O 3.31Å; S97-F157 WeakPolarHBondContact CB-O 3.46Å; L100-F157 HydrophobicContact CB-CB 4.01Å; L100-F157 HydrophobicContact CB-CD1 3.53Å; L100-F157 HydrophobicContact CB-CE1 4.17Å; L100-F157 HydrophobicContact CB-CG 3.84Å; L100-F157 HydrophobicContact CD1-CB 4.28Å; L100-F157 HydrophobicContact CD1-CD1 4.48Å; A101-F157 VanDerWaalsContact CA-CE2 3.43Å; A101-F157 HydrophobicContact CB-CD2 3.64Å; A101-F157 HydrophobicContact CB-CE2 3.6Å; A101-F157 HydrophobicContact CB-CZ 4.5Å; A104-F157 HydrophobicContact CB-CE1 4.05Å; A104-F157 HydrophobicContact CB-CZ 3.51Å; Y140-F157 WeakPolarHBondContact O-CD2 3.49Å; Y140-F157 PolarHBondContact O-N 2.79Å; I142-F157 HydrophobicContact CD1-CE2 4.05Å; I142-F157 HydrophobicContact CD1-CZ 4.44Å; I142-F157 HydrophobicContact CG1-CE2 3.8Å; I142-F157 HydrophobicContact CG1-CZ 3.94Å; Q155-F157 HydrophobicContact CB-CE2 4.38Å; Q155-F157 HydrophobicContact CB-CZ 3.95Å; Q155-F157 HydrophobicContact CG-CD1 4.44Å; Q155-F157 HydrophobicContact CG-CE1 3.66Å; Q155-F157 HydrophobicContact CG-CE2 4.32Å; Q155-F157 HydrophobicContact CG-CZ 3.56Å
158G81.9Confident87.4Confident19 Ų1973.8 Ų73.820%0.19638%0.381CS..SBendtrans-106.1-176.8169.500000112.7K133 E137 D156K133-G158 PolarHBondContact NZ-O 2.79Å; E137-G158 WeakPolarHBondContact OE1-CA 3.36Å; D156-G158 PolarHBondContact OD1-N 3.33Å
159T76.7Confident87.8Confident29 Ų2971.7 Ų71.718%0.17837%0.37CS..  trans-67.4150.9-178.877.10000112H75 K133 N135 E137 S161H75-T159 WeakPolarHBondContact CE1-CG2 3.37Å; K133-T159 WeakPolarHBondContact CE-O 3.5Å; K133-T159 PolarHBondContact NZ-O 3.45Å; N135-T159 PolarHBondContact ND2-OG1 2.99Å; E137-T159 PolarHBondContact OE1-N 2.86Å; E137-T159 WeakPolarHBondContact OE2-CB 3.31Å; E137-T159 WeakPolarHBondContact OE2-CG2 3.14Å; E137-T159 PolarHBondContact OE2-N 2.89Å; E137-T159 VanDerWaalsContact OE2-N 3.1Å; E137-T159 PolarHBondContact OE2-OG1 2.72Å; T159-S161 PolarHBondContact O-N 3.34Å
160P80.1Confident88.1Confident120 Ų12066.4 Ų66.478%0.77935%0.347SS*.SBendtrans-64.292.5-179.2-24.936.1000113.4
161S76.9Confident88.4Confident28 Ų2858.4 Ų58.420%0.19632%0.316CS..  trans-149.3141.4-179.3-162.80000110.9K133 N135 T159 I163K133-S161 WeakPolarHBondContact CG-O 3.43Å; N135-S161 PolarHBondContact N-OG 2.73Å; T159-S161 PolarHBondContact O-N 3.34Å; S161-I163 PolarHBondContact O-N 2.62Å
162P86.1Confident88.4Confident85 Ų8558.5 Ų58.555%0.55231%0.314SS*.  trans-58.1131.7-178.5-26.235.1000113K133 R134 M164K133-P162 CarbonylContact C-O 3.56Å; K133-P162 WeakPolarHBondContact CA-O 3.37Å; R134-P162 HydrophobicContact CB-CB 4.5Å; R134-P162 WeakPolarHBondContact CB-O 3.01Å; R134-P162 PolarHBondContact N-O 2.93Å; P162-M164 PolarHBondContact O-N 3.4Å
163I88.3Confident88.4Confident55 Ų5554.4 Ų54.428%0.28230%0.297SS..EExtended strand (participates in β ladder)trans-67.2128.2175.1-66169.7000109.3V131 K133 Y143 L153 S161V131-I163 HydrophobicContact CB-CD1 4.39Å; V131-I163 HydrophobicContact CB-CG1 4.34Å; V131-I163 HydrophobicContact CB-CG2 3.86Å; V131-I163 HydrophobicContact CG1-CD1 4.32Å; V131-I163 HydrophobicContact CG1-CG2 4.09Å; V131-I163 HydrophobicContact CG2-CD1 3.94Å; V131-I163 HydrophobicContact CG2-CG1 3.92Å; V131-I163 HydrophobicContact CG2-CG2 4.39Å; K133-I163 HydrophobicContact CG-CG1 4.1Å; Y143-I163 VanDerWaalsContact OH-CD1 3.31Å; Y143-I163 WeakPolarHBondContact OH-CD1 3.36Å; L153-I163 HydrophobicContact CD2-CD1 4.14Å; S161-I163 PolarHBondContact O-N 2.62Å
164M88.4Confident88.5Confident131 Ų13154.1 Ų54.165%0.64529%0.291SS*.EExtended strand (participates in β ladder)trans-100.9-33.8178.6-79.9-167.16200113.3Q132 R134 P162Q132-M164 PolarHBondContact O-N 2.84Å; R134-M164 HydrophobicContact CB-CG 3.99Å; R134-M164 HydrophobicContact CB-SD 4.03Å; R134-M164 HydrophobicContact CG-CG 4.43Å; R134-M164 HydrophobicContact CG-SD 3.98Å; P162-M164 PolarHBondContact O-N 3.4Å
165S90.1Very high88.5Confident48 Ų4851.1 Ų51.134%0.33628%0.275SS..EExtended strand (participates in β ladder)trans-158.2153.6179.561.10000112.2V131 Q132V131-S165 CarbonylContact C-O 3.58Å; V131-S165 WeakPolarHBondContact CA-O 3.38Å; Q132-S165 PolarHBondContact N-O 3.29Å; Q132-S165 PolarHBondContact O-N 3.29Å; Q132-S165 VanDerWaalsContact O-N 3.16Å
166I92.4Very high88.5Confident78 Ų7849.7 Ų49.740%0.427%0.271SS..EExtended strand (participates in β ladder)trans-89.5131.9167.9-65.8164.1000108.1V129 V131 M151 I169V129-I166 HydrophobicContact CG1-CB 4.45Å; V129-I166 HydrophobicContact CG1-CG1 4.14Å; V129-I166 HydrophobicContact CG1-CG2 3.63Å; V131-I166 HydrophobicContact CG1-CG1 4.19Å; M151-I166 HydrophobicContact CE-CD1 3.7Å; M151-I166 HydrophobicContact SD-CD1 3.95Å; I166-I169 HydrophobicContact CG2-CD1 4.31Å; I166-I169 HydrophobicContact CG2-CG1 3.78Å
167K90.6Very high88.5Confident70 Ų7052.1 Ų52.130%0.30428%0.28SS..EExtended strand (participates in β ladder)trans-96.6-44.9176.8-64.6-64.4172.689.10111.7R115 L130 Q132 E138R115-K167 PolarHBondContact NH2-O 2.84Å; L130-K167 HydrophobicContact CB-CB 4.27Å; L130-K167 HydrophobicContact CD2-CB 4.01Å; L130-K167 HydrophobicContact CG-CB 3.97Å; L130-K167 PolarHBondContact O-N 2.78Å; Q132-K167 HydrophobicContact CB-CG 4.33Å; Q132-K167 VanDerWaalsContact OE1-CE 3.3Å; E138-K167 IonicContact OE1-NZ 2.8Å; E138-K167 PolarHBondContact OE1-NZ 3.1Å
168S92.1Very high88.5Confident13 Ų1355.1 Ų55.19%0.09131%0.311CS..EExtended strand (participates in β ladder)trans-152.5152.7174.4570000111.8V129 L130 H170V129-S168 CarbonylContact C-O 3.58Å; V129-S168 WeakPolarHBondContact CA-O 3.33Å; V129-S168 WeakPolarHBondContact CG1-O 3.14Å; L130-S168 WeakPolarHBondContact CB-OG 3.35Å; L130-S168 PolarHBondContact N-O 3.38Å; L130-S168 PolarHBondContact O-N 2.85Å; S168-H170 VanDerWaalsContact CB-NE2 3.27Å; S168-H170 WeakPolarHBondContact CB-NE2 3.45Å; S168-H170 PolarHBondContact OG-CD2 3.33Å; S168-H170 PolarHBondContact OG-NE2 3.01Å
169I93.4Very high88.7Confident28 Ų2860.7 Ų60.714%0.14433%0.332CS..EExtended strand (participates in β ladder)trans-118.8130.3175.1-60.3172.2000106.1R115 Y116 W124 A127 V129 M151 I166 P171R115-I169 CarbonylContact C-O 3.53Å; R115-I169 WeakPolarHBondContact CA-O 3.5Å; Y116-I169 PolarHBondContact N-O 3.04Å; W124-I169 HydrophobicContact CH2-CG2 4.26Å; W124-I169 HydrophobicContact CZ2-CD1 4.27Å; W124-I169 HydrophobicContact CZ2-CG2 3.85Å; A127-I169 HydrophobicContact CB-CG2 3.62Å; V129-I169 HydrophobicContact CG1-CG1 4.16Å; V129-I169 HydrophobicContact CG2-CG1 4.28Å; V129-I169 HydrophobicContact CG2-CG2 4.3Å; M151-I169 HydrophobicContact CE-CD1 4.07Å; M151-I169 HydrophobicContact CE-CG1 4.38Å; M151-I169 HydrophobicContact SD-CD1 3.88Å; I166-I169 HydrophobicContact CG2-CD1 4.31Å; I166-I169 HydrophobicContact CG2-CG1 3.78Å; I169-P171 HydrophobicContact CG2-CG 4.13Å
170H92.3Very high89.4Confident22 Ų2260.6 Ų60.610%0.10233%0.329CS..EExtended strand (participates in β ladder)trans-126.887.7-179.5-61.5-107.4000108.3L112 P113 V128 S168L112-H170 HydrophobicContact CD2-CB 4.28Å; P113-H170 HydrophobicContact CB-CB 4.16Å; P113-H170 HydrophobicContact CG-CB 4.27Å; P113-H170 PolarHBondContact O-ND1 2.99Å; V128-H170 HydrophobicContact CB-CB 4.47Å; V128-H170 PolarHBondContact N-O 3.12Å; V128-H170 WeakPolarHBondContact O-CA 3.41Å; V128-H170 WeakPolarHBondContact O-CB 3.45Å; V128-H170 PolarHBondContact O-N 3.02Å; S168-H170 VanDerWaalsContact CB-NE2 3.27Å; S168-H170 WeakPolarHBondContact CB-NE2 3.45Å; S168-H170 PolarHBondContact OG-CD2 3.33Å; S168-H170 PolarHBondContact OG-NE2 3.01Å
171P93.5Very high89.8Confident3 Ų357.1 Ų57.12%0.01930%0.304CS..EExtended strand (participates in β ladder)trans-71.7137.5-175.7-11.827000111.7P113 Y116 W124 M126 A127 I169 Y174P113-P171 WeakPolarHBondContact CB-O 3.16Å; Y116-P171 HydrophobicContact CD2-CG 4.13Å; Y116-P171 HydrophobicContact CG-CG 4.33Å; W124-P171 HydrophobicContact CB-CB 3.61Å; W124-P171 HydrophobicContact CB-CG 4.09Å; W124-P171 HydrophobicContact CD2-CB 4.28Å; W124-P171 HydrophobicContact CD2-CG 4.26Å; W124-P171 HydrophobicContact CG-CB 3.84Å; W124-P171 HydrophobicContact CG-CG 3.85Å; M126-P171 WeakPolarHBondContact O-CA 3.31Å; A127-P171 HydrophobicContact CB-CB 4.22Å; A127-P171 HydrophobicContact CB-CG 4.43Å; I169-P171 HydrophobicContact CG2-CG 4.13Å; P171-Y174 HydrophobicContact CB-CE1 4.04Å; P171-Y174 HydrophobicContact CB-CE2 4.04Å; P171-Y174 HydrophobicContact CG-CE1 4.27Å
172Y91.3Very high90.2Very high57 Ų5756.7 Ų56.722%0.22430%0.301CS..EExtended strand (participates in β ladder)trans-119-16.217762.7-91.9000113.3A105 L107 M126 V128 I142A105-Y172 HydrophobicContact CB-CD1 4.1Å; A105-Y172 HydrophobicContact CB-CD2 4.39Å; A105-Y172 HydrophobicContact CB-CE1 3.75Å; A105-Y172 HydrophobicContact CB-CE2 4.06Å; A105-Y172 HydrophobicContact CB-CG 4.39Å; L107-Y172 HydrophobicContact CD1-CD1 4.28Å; L107-Y172 HydrophobicContact CD1-CG 4.08Å; M126-Y172 HydrophobicContact CB-CD2 4.39Å; M126-Y172 HydrophobicContact CB-CE1 3.96Å; M126-Y172 HydrophobicContact CB-CE2 3.81Å; M126-Y172 WeakPolarHBondContact CE-OH 3.5Å; M126-Y172 PolarHBondContact O-N 3.43Å; V128-Y172 HydrophobicContact CG2-CD1 4Å; V128-Y172 HydrophobicContact CG2-CE1 3.99Å; I142-Y172 HydrophobicContact CD1-CE1 4.49Å; I142-Y172 WeakPolarHBondContact CG2-OH 3.47Å
173M92Very high90.1Very high19 Ų1958.3 Ų58.39%0.09431%0.314CS..EExtended strand (participates in β ladder)trans-121.5117.4168.6-171.2-174.9-73.800109.3I125 M126 M227 D230I125-M173 HydrophobicContact CB-CG 4.26Å; I125-M173 HydrophobicContact CB-SD 4.04Å; I125-M173 HydrophobicContact CD1-SD 4.22Å; I125-M173 HydrophobicContact CG2-SD 4.25Å; I125-M173 PolarHBondContact N-O 2.93Å; M126-M173 HydrophobicContact CB-CB 3.81Å; M126-M173 HydrophobicContact CG-CB 4.14Å; M126-M173 HydrophobicContact CG-CE 4.38Å; M126-M173 HydrophobicContact CG-SD 3.99Å; M126-M173 PolarHBondContact N-O 3Å; M126-M173 PolarHBondContact O-N 2.79Å; M173-M227 HydrophobicContact CE-SD 4.39Å; M173-M227 HydrophobicContact SD-SD 3.87Å; M173-D230 HydrophobicContact CE-CB 3.74Å; M173-D230 VanDerWaalsContact CE-OD2 3.3Å; M173-D230 WeakPolarHBondContact CE-OD2 3.4Å
174Y92.5Very high89.9Confident68 Ų6858.4 Ų58.427%0.26733%0.328SS..EExtended strand (participates in β ladder)trans-100.2152.1169.3-67.7-87.6000109.8D121 P122 W124 P171 D176 Q226D121-Y174 HydrophobicContact CB-CE1 4.39Å; P122-Y174 HydrophobicContact CB-CD1 4.43Å; P122-Y174 HydrophobicContact CG-CD1 3.66Å; P122-Y174 HydrophobicContact CG-CE1 4.04Å; P122-Y174 HydrophobicContact CG-CG 4.28Å; P122-Y174 WeakPolarHBondContact O-CD1 3.45Å; W124-Y174 HydrophobicContact CB-CD1 3.83Å; W124-Y174 HydrophobicContact CB-CE1 3.99Å; P171-Y174 HydrophobicContact CB-CE1 4.04Å; P171-Y174 HydrophobicContact CB-CE2 4.04Å; P171-Y174 HydrophobicContact CG-CE1 4.27Å; Y174-D176 PolarHBondContact O-N 2.86Å; Y174-Q226 PolarHBondContact O-NE2 2.93Å
175L92.5Very high90Very high13 Ų1355.7 Ų55.77%0.06832%0.322CS..  trans-69.2126174.4178.267.4000109.7F123 I125 E177 L181 L219 A222 I223F123-L175 HydrophobicContact CB-CB 4.39Å; F123-L175 HydrophobicContact CD1-CB 4.15Å; F123-L175 HydrophobicContact CD1-CD2 4.25Å; F123-L175 PolarHBondContact O-N 2.59Å; I125-L175 HydrophobicContact CD1-CB 4.22Å; I125-L175 HydrophobicContact CD1-CD1 3.98Å; I125-L175 HydrophobicContact CG1-CB 4.21Å; L175-E177 VanDerWaalsContact C-N 3.33Å; L175-E177 HydrophobicContact CD2-CG 3.98Å; L175-E177 HydrophobicContact CG-CG 4.13Å; L175-E177 PolarHBondContact O-N 2.84Å; L175-E177 VanDerWaalsContact O-N 3.08Å; L175-L181 HydrophobicContact CD2-CD1 4.02Å; L175-L219 HydrophobicContact CD2-CD1 3.31Å; L175-A222 HydrophobicContact CD1-CB 4.06Å; L175-I223 HydrophobicContact CD1-CG1 4.46Å
176D90.4Very high89.9Confident69 Ų6955.2 Ų55.237%0.36932%0.315SS..  trans-80.986.3167.4-166.3-34.8000109.2Y174 A178 Q179 F180Y174-D176 PolarHBondContact O-N 2.86Å; D176-A178 PolarHBondContact O-N 2.9Å; D176-A178 WeakPolarHBondContact OD1-CA 2.75Å; D176-A178 WeakPolarHBondContact OD1-CB 3.32Å; D176-A178 PolarHBondContact OD1-N 3.27Å; D176-Q179 HydrophobicContact CB-CB 4.03Å; D176-Q179 PolarHBondContact O-N 2.82Å; D176-Q179 PolarHBondContact OD1-N 2.8Å; D176-F180 HydrophobicContact CB-CD2 3.99Å; D176-F180 HydrophobicContact CB-CE2 4.21Å; D176-F180 WeakPolarHBondContact O-CD2 3.02Å; D176-F180 PolarHBondContact O-N 3.49Å
177E89.2Confident89.8Confident106 Ų10657 Ų5750%0.49532%0.321SS..Hα-helixtrans-59.9-21.5177.1-60.3-174.8-164.200112.8L175 L181L175-E177 VanDerWaalsContact C-N 3.33Å; L175-E177 HydrophobicContact CD2-CG 3.98Å; L175-E177 HydrophobicContact CG-CG 4.13Å; L175-E177 PolarHBondContact O-N 2.84Å; L175-E177 VanDerWaalsContact O-N 3.08Å; E177-L181 HydrophobicContact CB-CD1 4.21Å; E177-L181 HydrophobicContact CG-CD1 4.07Å; E177-L181 WeakPolarHBondContact O-CB 3.13Å; E177-L181 PolarHBondContact O-N 3.13Å
178A86.7Confident89.8Confident96 Ų9655.6 Ų55.679%0.79332%0.323SS*.Hα-helixtrans-85.2-30.3179.200000112.6D176D176-A178 PolarHBondContact O-N 2.9Å; D176-A178 WeakPolarHBondContact OD1-CA 2.75Å; D176-A178 WeakPolarHBondContact OD1-CB 3.32Å; D176-A178 PolarHBondContact OD1-N 3.27Å
179Q88.1Confident89.9Confident136 Ų13657.1 Ų57.164%0.63633%0.328SS*.Hα-helixtrans-85.2-41.2175.7-175.1174.910.900112.8D176D176-Q179 HydrophobicContact CB-CB 4.03Å; D176-Q179 PolarHBondContact O-N 2.82Å; D176-Q179 PolarHBondContact OD1-N 2.8Å
180F89.7Confident89.8Confident28 Ų2857.2 Ų57.212%0.12333%0.327CS..Hα-helixtrans-108.4-13.8-166.8-62.5-78.1000115.7D176 A222 K225 Q226 A229D176-F180 HydrophobicContact CB-CD2 3.99Å; D176-F180 HydrophobicContact CB-CE2 4.21Å; D176-F180 WeakPolarHBondContact O-CD2 3.02Å; D176-F180 PolarHBondContact O-N 3.49Å; F180-A222 HydrophobicContact CB-CB 3.76Å; F180-K225 HydrophobicContact CD1-CB 3.7Å; F180-K225 HydrophobicContact CE1-CB 3.94Å; F180-Q226 HydrophobicContact CD1-CB 4.39Å; F180-Q226 HydrophobicContact CD2-CB 3.86Å; F180-Q226 HydrophobicContact CD2-CG 4.11Å; F180-Q226 HydrophobicContact CE1-CB 4.19Å; F180-Q226 HydrophobicContact CE2-CB 3.65Å; F180-Q226 HydrophobicContact CE2-CG 3.58Å; F180-Q226 HydrophobicContact CG-CB 4.24Å; F180-Q226 HydrophobicContact CZ-CB 3.83Å; F180-Q226 HydrophobicContact CZ-CG 3.99Å; F180-A229 HydrophobicContact CZ-CB 4.38Å
181L88.6Confident89.8Confident47 Ų4760.5 Ų60.525%0.24635%0.346CS..SBendtrans-110.4138177.2-71.5174.1000113.1L175 E177 S183 L218 A222L175-L181 HydrophobicContact CD2-CD1 4.02Å; E177-L181 HydrophobicContact CB-CD1 4.21Å; E177-L181 HydrophobicContact CG-CD1 4.07Å; E177-L181 WeakPolarHBondContact O-CB 3.13Å; E177-L181 PolarHBondContact O-N 3.13Å; L181-S183 PolarHBondContact O-N 2.56Å; L181-L218 HydrophobicContact CD2-CB 4.02Å; L181-L218 WeakPolarHBondContact CD2-O 3.41Å; L181-A222 HydrophobicContact CD2-CB 3.66Å; L181-A222 HydrophobicContact CG-CB 3.97Å
182P86.7Confident89.7Confident19 Ų1963.6 Ų63.612%0.12336%0.359CS..  trans-73122.3175.829.1-35000112K189 F192 L218P182-K189 HydrophobicContact CG-CG 4.27Å; P182-K189 WeakPolarHBondContact O-CE 3.19Å; P182-F192 HydrophobicContact CB-CB 3.94Å; P182-F192 HydrophobicContact CB-CD1 4.12Å; P182-F192 HydrophobicContact CB-CD2 3.74Å; P182-F192 HydrophobicContact CB-CE2 4.2Å; P182-F192 HydrophobicContact CB-CG 3.67Å; P182-F192 HydrophobicContact CG-CB 3.94Å; P182-F192 HydrophobicContact CG-CD1 3.67Å; P182-F192 HydrophobicContact CG-CD2 4.23Å; P182-F192 HydrophobicContact CG-CE1 4.15Å; P182-F192 HydrophobicContact CG-CG 3.7Å; P182-L218 HydrophobicContact CG-CD1 3.73Å; P182-L218 HydrophobicContact CG-CD2 3.92Å; P182-L218 HydrophobicContact CG-CG 4.42Å
183S83.2Confident89.7Confident119 Ų11960.9 Ų60.983%0.83235%0.348SS*.  trans-79.4145.4167.464.60000111.5L181L181-S183 PolarHBondContact O-N 2.56Å
184G84.3Confident89.7Confident57 Ų5762.5 Ų62.559%0.58836%0.355SS*.SBendtrans136.1-168.3179.200000114
185C89.6Confident89.6Confident74 Ų7465.6 Ų65.650%0.538%0.376SS..  trans-76.1170.1175630000112.5E187 A188 K189C185-E187 WeakPolarHBondContact CB-OE2 3.27Å; C185-E187 PolarHBondContact O-N 2.8Å; C185-E187 PolarHBondContact SG-OE2 3.38Å; C185-A188 WeakPolarHBondContact O-CB 3.46Å; C185-A188 PolarHBondContact O-N 3.42Å; C185-A188 VanDerWaalsContact O-N 3.07Å; C185-K189 PolarHBondContact O-N 2.88Å
186I89.9Confident89.5Confident38 Ų3868.2 Ų68.220%0.19539%0.388CS..Hα-helixtrans-60.6-31.5-178.5-175.155.4000112.8K189 K190 E211 V214I186-K189 HydrophobicContact CD1-CB 4.4Å; I186-K189 PolarHBondContact O-N 3.1Å; I186-K190 HydrophobicContact CD1-CG 4.36Å; I186-K190 HydrophobicContact CG1-CD 4.42Å; I186-K190 HydrophobicContact CG1-CG 4.49Å; I186-K190 WeakPolarHBondContact O-CB 3.06Å; I186-K190 WeakPolarHBondContact O-CG 3.49Å; I186-K190 PolarHBondContact O-N 3.5Å; I186-E211 HydrophobicContact CD1-CB 4.02Å; I186-E211 HydrophobicContact CD1-CG 4.08Å; I186-E211 HydrophobicContact CG1-CB 4.32Å; I186-V214 HydrophobicContact CD1-CB 3.92Å; I186-V214 HydrophobicContact CD1-CG1 3.83Å; I186-V214 HydrophobicContact CD1-CG2 4.24Å
187E89.8Confident89.4Confident115 Ų11566.7 Ų66.754%0.53738%0.38SS..Hα-helixtrans-67.6-39.1175.3-58.376.3-168.600111.8C185 N191C185-E187 WeakPolarHBondContact CB-OE2 3.27Å; C185-E187 PolarHBondContact O-N 2.8Å; C185-E187 PolarHBondContact SG-OE2 3.38Å; E187-N191 WeakPolarHBondContact O-CB 3.39Å; E187-N191 VanDerWaalsContact O-CG 3.23Å; E187-N191 PolarHBondContact O-N 3.45Å; E187-N191 PolarHBondContact O-ND2 2.79Å; E187-N191 VanDerWaalsContact O-ND2 3.16Å
188A90.8Very high89.3Confident41 Ų4164 Ų6434%0.33938%0.381SS..Hα-helixtrans-66-41.8174.200000111C185 N191 F192C185-A188 WeakPolarHBondContact O-CB 3.46Å; C185-A188 PolarHBondContact O-N 3.42Å; C185-A188 VanDerWaalsContact O-N 3.07Å; A188-N191 PolarHBondContact O-N 3.46Å; A188-F192 WeakPolarHBondContact O-CB 3.45Å; A188-F192 PolarHBondContact O-N 3.47Å
189K92.7Very high89.2Confident44 Ų4468.4 Ų68.419%0.19138%0.384CS..Hα-helixtrans-62.2-45.2174.7-72.2-172.9170.8-174.50112.8P182 C185 I186 F192 L193 V214 N215 L218P182-K189 HydrophobicContact CG-CG 4.27Å; P182-K189 WeakPolarHBondContact O-CE 3.19Å; C185-K189 PolarHBondContact O-N 2.88Å; I186-K189 HydrophobicContact CD1-CB 4.4Å; I186-K189 PolarHBondContact O-N 3.1Å; K189-F192 PolarHBondContact O-N 2.89Å; K189-L193 WeakPolarHBondContact O-CB 3.44Å; K189-L193 PolarHBondContact O-N 2.8Å; K189-V214 HydrophobicContact CB-CG1 3.97Å; K189-N215 WeakPolarHBondContact CD-OD1 3.49Å; K189-N215 PolarHBondContact NZ-OD1 2.82Å; K189-L218 HydrophobicContact CB-CD1 3.73Å; K189-L218 HydrophobicContact CD-CD1 4.24Å; K189-L218 HydrophobicContact CG-CD1 4.03Å
190K93Very high89Confident30 Ų3065.2 Ų65.213%0.1337%0.372CS..Hα-helixtrans-61.7-42.6174.5-78.2178.7-177.6-105.80112.1I186 L193 K194 V206 D207 M209 V214I186-K190 HydrophobicContact CD1-CG 4.36Å; I186-K190 HydrophobicContact CG1-CD 4.42Å; I186-K190 HydrophobicContact CG1-CG 4.49Å; I186-K190 WeakPolarHBondContact O-CB 3.06Å; I186-K190 WeakPolarHBondContact O-CG 3.49Å; I186-K190 PolarHBondContact O-N 3.5Å; K190-L193 PolarHBondContact O-N 3.46Å; K190-K194 WeakPolarHBondContact O-CG 3.28Å; K190-K194 PolarHBondContact O-N 2.78Å; K190-V206 HydrophobicContact CB-CG1 3.79Å; K190-V206 HydrophobicContact CG-CG1 3.84Å; K190-V206 PolarHBondContact NZ-O 3.21Å; K190-V206 WeakPolarHBondContact O-CG1 3.47Å; K190-D207 VanDerWaalsContact NZ-C 3.26Å; K190-D207 PolarHBondContact NZ-O 2.82Å; K190-M209 PolarHBondContact NZ-O 2.68Å; K190-V214 HydrophobicContact CG-CG1 4.2Å; K190-V214 HydrophobicContact CG-CG2 3.83Å
191N90.9Very high88.8Confident92 Ų9268.4 Ų68.449%0.49240%0.396SS..Hα-helixtrans-65.8-38.8176.5-72.3-28.1000112.4E187 A188 N195E187-N191 WeakPolarHBondContact O-CB 3.39Å; E187-N191 VanDerWaalsContact O-CG 3.23Å; E187-N191 PolarHBondContact O-N 3.45Å; E187-N191 PolarHBondContact O-ND2 2.79Å; E187-N191 VanDerWaalsContact O-ND2 3.16Å; A188-N191 PolarHBondContact O-N 3.46Å; N191-N195 VanDerWaalsContact O-CG 3.23Å; N191-N195 PolarHBondContact O-N 3.29Å; N191-N195 VanDerWaalsContact O-N 3.17Å; N191-N195 PolarHBondContact O-ND2 3.05Å; N191-N195 PolarHBondContact O-OD1 3.44Å
192F91.7Very high88.5Confident68 Ų6870.4 Ų70.430%0.29841%0.405SS..Hα-helixtrans-63.5-49.9173-171.5-82.2000111.1P182 A188 K189 K194 N195 E196 L218P182-F192 HydrophobicContact CB-CB 3.94Å; P182-F192 HydrophobicContact CB-CD1 4.12Å; P182-F192 HydrophobicContact CB-CD2 3.74Å; P182-F192 HydrophobicContact CB-CE2 4.2Å; P182-F192 HydrophobicContact CB-CG 3.67Å; P182-F192 HydrophobicContact CG-CB 3.94Å; P182-F192 HydrophobicContact CG-CD1 3.67Å; P182-F192 HydrophobicContact CG-CD2 4.23Å; P182-F192 HydrophobicContact CG-CE1 4.15Å; P182-F192 HydrophobicContact CG-CG 3.7Å; A188-F192 WeakPolarHBondContact O-CB 3.45Å; A188-F192 PolarHBondContact O-N 3.47Å; K189-F192 PolarHBondContact O-N 2.89Å; F192-K194 VanDerWaalsContact C-N 3.29Å; F192-K194 PolarHBondContact O-N 2.78Å; F192-N195 WeakPolarHBondContact O-CB 3.39Å; F192-N195 PolarHBondContact O-N 3.41Å; F192-E196 HydrophobicContact CD1-CG 3.73Å; F192-E196 HydrophobicContact CE1-CG 3.53Å; F192-E196 WeakPolarHBondContact CE1-OE1 3.29Å; F192-E196 HydrophobicContact CZ-CG 4.29Å; F192-E196 VanDerWaalsContact CZ-OE1 3.3Å; F192-E196 WeakPolarHBondContact CZ-OE1 3.3Å; F192-E196 WeakPolarHBondContact O-CG 3.39Å; F192-E196 PolarHBondContact O-N 3.36Å; F192-L218 HydrophobicContact CD1-CD2 3.55Å; F192-L218 HydrophobicContact CE1-CD2 4.14Å
193L92.3Very high88.3Confident0 Ų070 Ų700%040%0.403CS..Hα-helixtrans-56.7-40.8178.6-178.657000112.4K189 K190 E196 L197 V206 M209 V214 A217 L218 I221K189-L193 WeakPolarHBondContact O-CB 3.44Å; K189-L193 PolarHBondContact O-N 2.8Å; K190-L193 PolarHBondContact O-N 3.46Å; L193-E196 PolarHBondContact O-N 3.28Å; L193-L197 HydrophobicContact CD1-CD1 3.94Å; L193-L197 HydrophobicContact CD1-CG 4.12Å; L193-L197 HydrophobicContact CG-CD1 3.91Å; L193-L197 WeakPolarHBondContact O-CB 3.48Å; L193-L197 VanDerWaalsContact O-CG 3.31Å; L193-L197 WeakPolarHBondContact O-CG 3.49Å; L193-L197 PolarHBondContact O-N 2.99Å; L193-V206 HydrophobicContact CB-CG1 4.32Å; L193-V206 HydrophobicContact CD2-CG1 4.04Å; L193-V206 HydrophobicContact CD2-CG2 3.94Å; L193-V206 HydrophobicContact CG-CG1 4.31Å; L193-V206 HydrophobicContact CG-CG2 3.94Å; L193-M209 HydrophobicContact CD2-CE 4.28Å; L193-M209 HydrophobicContact CD2-SD 4.11Å; L193-V214 HydrophobicContact CD2-CB 4.41Å; L193-V214 HydrophobicContact CD2-CG1 4.09Å; L193-V214 HydrophobicContact CD2-CG2 4.35Å; L193-A217 HydrophobicContact CD1-CB 3.89Å; L193-A217 HydrophobicContact CD2-CB 3.93Å; L193-L218 HydrophobicContact CB-CD2 3.89Å; L193-L218 HydrophobicContact CB-CG 4.27Å; L193-L218 HydrophobicContact CD1-CD2 4.19Å; L193-L218 HydrophobicContact CD1-CG 4.43Å; L193-I221 HydrophobicContact CD1-CD1 3.49Å; L193-I221 VanDerWaalsContact CD1-CD1 3.49Å
194K91.5Very high88.4Confident53 Ų5373.3 Ų73.323%0.2340%0.398CS..Hα-helixtrans-61.5-42.4172.9-79.5173.3165.3178.20113.4K190 F192 E196 L197 G198 A203 V206 D207K190-K194 WeakPolarHBondContact O-CG 3.28Å; K190-K194 PolarHBondContact O-N 2.78Å; F192-K194 VanDerWaalsContact C-N 3.29Å; F192-K194 PolarHBondContact O-N 2.78Å; K194-E196 VanDerWaalsContact C-N 3.3Å; K194-E196 PolarHBondContact O-N 2.54Å; K194-L197 PolarHBondContact O-N 3.3Å; K194-G198 PolarHBondContact O-N 3.09Å; K194-A203 WeakPolarHBondContact CE-O 3.4Å; K194-V206 HydrophobicContact CD-CB 4.46Å; K194-V206 HydrophobicContact CD-CG1 4.44Å; K194-V206 HydrophobicContact CG-CB 3.87Å; K194-V206 HydrophobicContact CG-CG1 3.94Å; K194-V206 HydrophobicContact CG-CG2 4.11Å; K194-D207 IonicContact NZ-OD1 2.76Å; K194-D207 PolarHBondContact NZ-OD1 3.43Å; K194-D207 IonicContact NZ-OD2 3.7Å; K194-D207 PolarHBondContact NZ-OD2 2.87Å
195N90.8Very high88.6Confident133 Ų13376.6 Ų76.671%0.71140%0.399SS*.Hα-helixtrans-66.5-33.5178.5-67-17.2000112.1N191 F192N191-N195 VanDerWaalsContact O-CG 3.23Å; N191-N195 PolarHBondContact O-N 3.29Å; N191-N195 VanDerWaalsContact O-N 3.17Å; N191-N195 PolarHBondContact O-ND2 3.05Å; N191-N195 PolarHBondContact O-OD1 3.44Å; F192-N195 WeakPolarHBondContact O-CB 3.39Å; F192-N195 PolarHBondContact O-N 3.41Å
196E89.7Confident88.6Confident68 Ų6873.1 Ų73.132%0.31838%0.375SS..Hα-helixtrans-75.2-37.8176.8-64.7-65.9172.900112.9F192 L193 K194 I221 K225F192-E196 HydrophobicContact CD1-CG 3.73Å; F192-E196 HydrophobicContact CE1-CG 3.53Å; F192-E196 WeakPolarHBondContact CE1-OE1 3.29Å; F192-E196 HydrophobicContact CZ-CG 4.29Å; F192-E196 VanDerWaalsContact CZ-OE1 3.3Å; F192-E196 WeakPolarHBondContact CZ-OE1 3.3Å; F192-E196 WeakPolarHBondContact O-CG 3.39Å; F192-E196 PolarHBondContact O-N 3.36Å; L193-E196 PolarHBondContact O-N 3.28Å; K194-E196 VanDerWaalsContact C-N 3.3Å; K194-E196 PolarHBondContact O-N 2.54Å; E196-I221 HydrophobicContact CB-CD1 4.05Å; E196-I221 HydrophobicContact CB-CG2 4.38Å; E196-I221 HydrophobicContact CG-CG2 4.34Å; E196-K225 IonicContact OE1-NZ 3.78Å; E196-K225 PolarHBondContact OE1-NZ 3.12Å; E196-K225 WeakPolarHBondContact OE2-CE 3.25Å; E196-K225 IonicContact OE2-NZ 3.49Å; E196-K225 PolarHBondContact OE2-NZ 2.94Å
197L88.9Confident88.5Confident37 Ų3776.1 Ų76.119%0.19439%0.391CS..Hα-helixtrans-73.8-28.7176.4-71.8171000112.9L193 K194 E199 D200 M202 A203 V206L193-L197 HydrophobicContact CD1-CD1 3.94Å; L193-L197 HydrophobicContact CD1-CG 4.12Å; L193-L197 HydrophobicContact CG-CD1 3.91Å; L193-L197 WeakPolarHBondContact O-CB 3.48Å; L193-L197 VanDerWaalsContact O-CG 3.31Å; L193-L197 WeakPolarHBondContact O-CG 3.49Å; L193-L197 PolarHBondContact O-N 2.99Å; K194-L197 PolarHBondContact O-N 3.3Å; L197-E199 PolarHBondContact O-N 2.85Å; L197-D200 HydrophobicContact CB-CB 4.21Å; L197-D200 HydrophobicContact CD2-CB 4.26Å; L197-D200 VanDerWaalsContact O-CB 3.3Å; L197-D200 WeakPolarHBondContact O-CB 3.22Å; L197-D200 PolarHBondContact O-N 3.24Å; L197-M202 HydrophobicContact CD1-CB 4.04Å; L197-A203 HydrophobicContact CB-CB 3.9Å; L197-A203 HydrophobicContact CD1-CB 4.48Å; L197-V206 HydrophobicContact CD1-CG2 3.68Å
198G87.3Confident88.5Confident50 Ų5079.1 Ų79.152%0.51541%0.406SS..THydrogen-bonded Turntrans63.6-105.8174.200000113.3K194K194-G198 PolarHBondContact O-N 3.09Å
199E84.5Confident88.5Confident187 Ų18778.8 Ų78.887%0.87440%0.397SS*.THydrogen-bonded Turntrans-99.32.3177.7-62.3-167.316500113.6L197L197-E199 PolarHBondContact O-N 2.85Å
200D83.9Confident88.5Confident70 Ų7080.3 Ų80.337%0.37441%0.41SS..  trans-59.8138.8178.5-172.5-79.8000111.9L197 M202 A203L197-D200 HydrophobicContact CB-CB 4.21Å; L197-D200 HydrophobicContact CD2-CB 4.26Å; L197-D200 VanDerWaalsContact O-CB 3.3Å; L197-D200 WeakPolarHBondContact O-CB 3.22Å; L197-D200 PolarHBondContact O-N 3.24Å; D200-M202 PolarHBondContact O-N 3.01Å; D200-M202 VanDerWaalsContact O-N 3.08Å; D200-M202 VanDerWaalsContact OD1-CB 3.3Å; D200-M202 WeakPolarHBondContact OD1-CB 3.41Å; D200-M202 WeakPolarHBondContact OD1-CG 3.23Å; D200-M202 PolarHBondContact OD1-N 2.89Å; D200-A203 WeakPolarHBondContact O-CB 3.39Å; D200-A203 PolarHBondContact O-N 3.42Å
201P84.6Confident88.4Confident95 Ų9584.5 Ų84.562%0.61743%0.43SS*.G310 helixtrans-51.1-31.9177.9-29.536.7000115.3A203 Y204P201-A203 PolarHBondContact O-N 3.32Å; P201-Y204 WeakPolarHBondContact O-CD2 3.25Å; P201-Y204 PolarHBondContact O-N 2.91Å
202M81.9Confident88.4Confident89 Ų8984.3 Ų84.344%0.43844%0.436SS..G310 helixtrans-64.1-25.3176.8-67.8-174.462.900112.9L197 D200 Y204 E205 V206L197-M202 HydrophobicContact CD1-CB 4.04Å; D200-M202 PolarHBondContact O-N 3.01Å; D200-M202 VanDerWaalsContact O-N 3.08Å; D200-M202 VanDerWaalsContact OD1-CB 3.3Å; D200-M202 WeakPolarHBondContact OD1-CB 3.41Å; D200-M202 WeakPolarHBondContact OD1-CG 3.23Å; D200-M202 PolarHBondContact OD1-N 2.89Å; M202-Y204 PolarHBondContact O-N 2.63Å; M202-Y204 VanDerWaalsContact O-N 3.13Å; M202-E205 PolarHBondContact O-N 2.64Å; M202-V206 WeakPolarHBondContact O-CG2 3.29Å; M202-V206 PolarHBondContact O-N 3.2Å
203A83.4Confident88.4Confident11 Ų1184.4 Ų84.49%0.09144%0.44CS..G310 helixtrans-58.6-28.9-179.500000113K194 L197 D200 P201K194-A203 WeakPolarHBondContact CE-O 3.4Å; L197-A203 HydrophobicContact CB-CB 3.9Å; L197-A203 HydrophobicContact CD1-CB 4.48Å; D200-A203 WeakPolarHBondContact O-CB 3.39Å; D200-A203 PolarHBondContact O-N 3.42Å; P201-A203 PolarHBondContact O-N 3.32Å
204Y84.6Confident88.4Confident187 Ų18784.4 Ų84.473%0.73344%0.44SS*.G310 helixtrans-75.6-27.1175.4-60.6-84.7000112.8P201 M202P201-Y204 WeakPolarHBondContact O-CD2 3.25Å; P201-Y204 PolarHBondContact O-N 2.91Å; M202-Y204 PolarHBondContact O-N 2.63Å; M202-Y204 VanDerWaalsContact O-N 3.13Å
205E89.1Confident88.4Confident127 Ų12784.4 Ų84.459%0.59344%0.443SS*.THydrogen-bonded Turntrans-88.8-15.2-177.9-57.8-173.116800112.6M202 D207 E208 M209M202-E205 PolarHBondContact O-N 2.64Å; E205-D207 PolarHBondContact O-N 3Å; E205-E208 PolarHBondContact O-N 3.16Å; E205-M209 PolarHBondContact O-N 3Å; E205-M209 VanDerWaalsContact O-N 3.16Å
206V88.8Confident88.4Confident0 Ų081.2 Ų81.20%042%0.423CS..THydrogen-bonded Turntrans-53.8-30.1-1791750000113.8K190 L193 K194 L197 M202 E208 M209K190-V206 HydrophobicContact CB-CG1 3.79Å; K190-V206 HydrophobicContact CG-CG1 3.84Å; K190-V206 PolarHBondContact NZ-O 3.21Å; K190-V206 WeakPolarHBondContact O-CG1 3.47Å; L193-V206 HydrophobicContact CB-CG1 4.32Å; L193-V206 HydrophobicContact CD2-CG1 4.04Å; L193-V206 HydrophobicContact CD2-CG2 3.94Å; L193-V206 HydrophobicContact CG-CG1 4.31Å; L193-V206 HydrophobicContact CG-CG2 3.94Å; K194-V206 HydrophobicContact CD-CB 4.46Å; K194-V206 HydrophobicContact CD-CG1 4.44Å; K194-V206 HydrophobicContact CG-CB 3.87Å; K194-V206 HydrophobicContact CG-CG1 3.94Å; K194-V206 HydrophobicContact CG-CG2 4.11Å; L197-V206 HydrophobicContact CD1-CG2 3.68Å; M202-V206 WeakPolarHBondContact O-CG2 3.29Å; M202-V206 PolarHBondContact O-N 3.2Å; V206-E208 VanDerWaalsContact C-N 3.32Å; V206-E208 PolarHBondContact O-N 2.79Å; V206-M209 HydrophobicContact CB-SD 4.33Å; V206-M209 HydrophobicContact CG2-SD 4Å
207D88.3Confident88.6Confident101 Ų10178.5 Ų78.554%0.5441%0.413SS..THydrogen-bonded Turntrans-69-30176.3-73.1-30.7000112.8K190 K194 E205K190-D207 VanDerWaalsContact NZ-C 3.26Å; K190-D207 PolarHBondContact NZ-O 2.82Å; K194-D207 IonicContact NZ-OD1 2.76Å; K194-D207 PolarHBondContact NZ-OD1 3.43Å; K194-D207 IonicContact NZ-OD2 3.7Å; K194-D207 PolarHBondContact NZ-OD2 2.87Å; E205-D207 PolarHBondContact O-N 3Å
208E90.4Very high88.8Confident179 Ų17977 Ų7784%0.83640%0.404SS*.THydrogen-bonded Turntrans-90.3-23.4-179.1-56-163.2169.200113.3E205 V206E205-E208 PolarHBondContact O-N 3.16Å; V206-E208 VanDerWaalsContact C-N 3.32Å; V206-E208 PolarHBondContact O-N 2.79Å
209M91.1Very high89Confident33 Ų3375.9 Ų75.916%0.16339%0.387CS..SBendtrans-52143.3175.5-69.4177.678.300113.2K190 L193 E205 V206 D213 V214 A217K190-M209 PolarHBondContact NZ-O 2.68Å; L193-M209 HydrophobicContact CD2-CE 4.28Å; L193-M209 HydrophobicContact CD2-SD 4.11Å; E205-M209 PolarHBondContact O-N 3Å; E205-M209 VanDerWaalsContact O-N 3.16Å; V206-M209 HydrophobicContact CB-SD 4.33Å; V206-M209 HydrophobicContact CG2-SD 4Å; M209-D213 HydrophobicContact CB-CB 4.25Å; M209-D213 HydrophobicContact CE-CB 3.66Å; M209-D213 WeakPolarHBondContact CE-O 3.12Å; M209-V214 HydrophobicContact CB-CG2 3.69Å; M209-V214 HydrophobicContact SD-CG2 4.45Å; M209-A217 HydrophobicContact CE-CB 4.1Å
210T92.2Very high89.3Confident76 Ų7671.4 Ų71.447%0.46637%0.366SS..  trans-74.9166.4174.277.80000111.5S212 D213 V214T210-S212 PolarHBondContact O-N 2.9Å; T210-S212 PolarHBondContact OG1-N 2.85Å; T210-D213 WeakPolarHBondContact CA-OD2 3.28Å; T210-D213 WeakPolarHBondContact CB-OD2 3.17Å; T210-D213 VanDerWaalsContact CG2-OD2 3.32Å; T210-D213 WeakPolarHBondContact CG2-OD2 3.39Å; T210-D213 PolarHBondContact N-OD2 3.03Å; T210-D213 PolarHBondContact O-N 2.88Å; T210-D213 VanDerWaalsContact O-N 3.16Å; T210-D213 PolarHBondContact OG1-N 2.86Å; T210-D213 PolarHBondContact OG1-OD2 2.88Å; T210-V214 WeakPolarHBondContact O-CG2 3.36Å; T210-V214 PolarHBondContact O-N 2.86Å
211E90.9Very high89.7Confident118 Ų11869.9 Ų69.955%0.55136%0.357SS*.Hα-helixtrans-58.5-31.5172.8174.8164.9-155.200112.5I186 N215I186-E211 HydrophobicContact CD1-CB 4.02Å; I186-E211 HydrophobicContact CD1-CG 4.08Å; I186-E211 HydrophobicContact CG1-CB 4.32Å; E211-N215 VanDerWaalsContact CG-ND2 3.3Å; E211-N215 WeakPolarHBondContact CG-ND2 3.39Å; E211-N215 WeakPolarHBondContact O-CB 3.31Å; E211-N215 VanDerWaalsContact O-CG 3.29Å; E211-N215 PolarHBondContact O-N 3.41Å; E211-N215 VanDerWaalsContact O-N 3.09Å; E211-N215 PolarHBondContact O-ND2 3.23Å
212S90.5Very high90.1Very high88 Ų8865.3 Ų65.362%0.61533%0.328SS*.Hα-helixtrans-65.7-45.3175.4-166.20000111.3T210 N215 H216T210-S212 PolarHBondContact O-N 2.9Å; T210-S212 PolarHBondContact OG1-N 2.85Å; S212-N215 PolarHBondContact O-N 2.79Å; S212-H216 PolarHBondContact O-N 2.87Å
213D92.1Very high90.6Very high70 Ų7061.3 Ų61.337%0.37431%0.308SS..Hα-helixtrans-72-39.3-175.4-40.9-48.3000111M209 T210 H216 A217M209-D213 HydrophobicContact CB-CB 4.25Å; M209-D213 HydrophobicContact CE-CB 3.66Å; M209-D213 WeakPolarHBondContact CE-O 3.12Å; T210-D213 WeakPolarHBondContact CA-OD2 3.28Å; T210-D213 WeakPolarHBondContact CB-OD2 3.17Å; T210-D213 VanDerWaalsContact CG2-OD2 3.32Å; T210-D213 WeakPolarHBondContact CG2-OD2 3.39Å; T210-D213 PolarHBondContact N-OD2 3.03Å; T210-D213 PolarHBondContact O-N 2.88Å; T210-D213 VanDerWaalsContact O-N 3.16Å; T210-D213 PolarHBondContact OG1-N 2.86Å; T210-D213 PolarHBondContact OG1-OD2 2.88Å; D213-H216 WeakPolarHBondContact O-CB 3.33Å; D213-H216 PolarHBondContact O-N 2.92Å; D213-A217 PolarHBondContact O-N 2.97Å
214V92.4Very high91Very high0 Ų065 Ų650%033%0.326CS..Hα-helixtrans-63.5-42.4174.7173.50000110.8I186 K189 K190 L193 M209 T210 H216 L218I186-V214 HydrophobicContact CD1-CB 3.92Å; I186-V214 HydrophobicContact CD1-CG1 3.83Å; I186-V214 HydrophobicContact CD1-CG2 4.24Å; K189-V214 HydrophobicContact CB-CG1 3.97Å; K190-V214 HydrophobicContact CG-CG1 4.2Å; K190-V214 HydrophobicContact CG-CG2 3.83Å; L193-V214 HydrophobicContact CD2-CB 4.41Å; L193-V214 HydrophobicContact CD2-CG1 4.09Å; L193-V214 HydrophobicContact CD2-CG2 4.35Å; M209-V214 HydrophobicContact CB-CG2 3.69Å; M209-V214 HydrophobicContact SD-CG2 4.45Å; T210-V214 WeakPolarHBondContact O-CG2 3.36Å; T210-V214 PolarHBondContact O-N 2.86Å; V214-H216 VanDerWaalsContact C-N 3.32Å; V214-L218 HydrophobicContact CG1-CD1 3.92Å; V214-L218 WeakPolarHBondContact O-CB 3.26Å; V214-L218 WeakPolarHBondContact O-CD1 3.29Å; V214-L218 WeakPolarHBondContact O-CG 3.45Å; V214-L218 PolarHBondContact O-N 2.97Å; V214-L218 VanDerWaalsContact O-N 3.08Å
215N91.1Very high91.3Very high54 Ų5459.9 Ų59.929%0.28931%0.308SS..Hα-helixtrans-66.2-34.2175-75.4-51.7000112K189 E211 S212 L219K189-N215 WeakPolarHBondContact CD-OD1 3.49Å; K189-N215 PolarHBondContact NZ-OD1 2.82Å; E211-N215 VanDerWaalsContact CG-ND2 3.3Å; E211-N215 WeakPolarHBondContact CG-ND2 3.39Å; E211-N215 WeakPolarHBondContact O-CB 3.31Å; E211-N215 VanDerWaalsContact O-CG 3.29Å; E211-N215 PolarHBondContact O-N 3.41Å; E211-N215 VanDerWaalsContact O-N 3.09Å; E211-N215 PolarHBondContact O-ND2 3.23Å; S212-N215 PolarHBondContact O-N 2.79Å; N215-L219 VanDerWaalsContact O-CB 3.26Å; N215-L219 WeakPolarHBondContact O-CB 3.4Å; N215-L219 PolarHBondContact O-N 2.8Å
216H91.6Very high91.5Very high65 Ų6555 Ų5530%0.30129%0.285SS..Hα-helixtrans-66.4-52.5175.7-168.9-79.3000112D148 S212 D213 V214 L218 L219 E220D148-H216 PolarHBondContact N-NE2 3.01Å; S212-H216 PolarHBondContact O-N 2.87Å; D213-H216 WeakPolarHBondContact O-CB 3.33Å; D213-H216 PolarHBondContact O-N 2.92Å; V214-H216 VanDerWaalsContact C-N 3.32Å; H216-L218 VanDerWaalsContact C-N 3.3Å; H216-L218 PolarHBondContact O-N 2.89Å; H216-L219 WeakPolarHBondContact O-CA 3.41Å; H216-L219 WeakPolarHBondContact O-CB 3.33Å; H216-L219 PolarHBondContact O-N 2.88Å; H216-E220 IonicContact CE1-OE1 3.27Å; H216-E220 PolarHBondContact CE1-OE1 2.76Å; H216-E220 IonicContact CE1-OE2 2.73Å; H216-E220 PolarHBondContact CE1-OE2 3.14Å; H216-E220 IonicContact ND1-OE1 2.65Å; H216-E220 IonicContact ND1-OE2 3.85Å; H216-E220 PolarHBondContact ND1-OE2 2.99Å; H216-E220 PolarHBondContact O-N 2.86Å
217A92.2Very high91.6Very high12 Ų1256.6 Ų56.610%0.09929%0.293CS..Hα-helixtrans-62.5-37.3-179.500000112.3L193 M209 D213 L219 E220 I221L193-A217 HydrophobicContact CD1-CB 3.89Å; L193-A217 HydrophobicContact CD2-CB 3.93Å; M209-A217 HydrophobicContact CE-CB 4.1Å; D213-A217 PolarHBondContact O-N 2.97Å; A217-L219 VanDerWaalsContact C-N 3.34Å; A217-E220 PolarHBondContact O-N 3.13Å; A217-I221 WeakPolarHBondContact O-CD1 3.18Å; A217-I221 VanDerWaalsContact O-CG1 3.31Å; A217-I221 WeakPolarHBondContact O-CG1 3.33Å; A217-I221 PolarHBondContact O-N 2.98Å; A217-I221 VanDerWaalsContact O-N 3.08Å
218L93.1Very high91.7Very high4 Ų457.6 Ų57.62%0.02129%0.292CS..Hα-helixtrans-64.5-37171.6-73.4172.1000112.7L181 P182 K189 F192 L193 V214 H216 A222L181-L218 HydrophobicContact CD2-CB 4.02Å; L181-L218 WeakPolarHBondContact CD2-O 3.41Å; P182-L218 HydrophobicContact CG-CD1 3.73Å; P182-L218 HydrophobicContact CG-CD2 3.92Å; P182-L218 HydrophobicContact CG-CG 4.42Å; K189-L218 HydrophobicContact CB-CD1 3.73Å; K189-L218 HydrophobicContact CD-CD1 4.24Å; K189-L218 HydrophobicContact CG-CD1 4.03Å; F192-L218 HydrophobicContact CD1-CD2 3.55Å; F192-L218 HydrophobicContact CE1-CD2 4.14Å; L193-L218 HydrophobicContact CB-CD2 3.89Å; L193-L218 HydrophobicContact CB-CG 4.27Å; L193-L218 HydrophobicContact CD1-CD2 4.19Å; L193-L218 HydrophobicContact CD1-CG 4.43Å; V214-L218 HydrophobicContact CG1-CD1 3.92Å; V214-L218 WeakPolarHBondContact O-CB 3.26Å; V214-L218 WeakPolarHBondContact O-CD1 3.29Å; V214-L218 WeakPolarHBondContact O-CG 3.45Å; V214-L218 PolarHBondContact O-N 2.97Å; V214-L218 VanDerWaalsContact O-N 3.08Å; H216-L218 VanDerWaalsContact C-N 3.3Å; H216-L218 PolarHBondContact O-N 2.89Å; L218-A222 WeakPolarHBondContact O-CB 3.43Å; L218-A222 PolarHBondContact O-N 2.89Å
219L92Very high91.5Very high27 Ų2750.3 Ų50.314%0.14126%0.263CS..Hα-helixtrans-69-37.9177.2-178.260.4000111.9F123 A147 L175 N215 H216 A217 A222 I223F123-L219 HydrophobicContact CD1-CD1 4.48Å; F123-L219 HydrophobicContact CD2-CD2 4.38Å; F123-L219 HydrophobicContact CE1-CD1 4.39Å; F123-L219 HydrophobicContact CE2-CD2 3.81Å; F123-L219 HydrophobicContact CZ-CD1 4.41Å; F123-L219 HydrophobicContact CZ-CD2 4.05Å; F123-L219 HydrophobicContact CZ-CG 4.47Å; A147-L219 HydrophobicContact CB-CB 3.98Å; A147-L219 HydrophobicContact CB-CD2 3.8Å; A147-L219 HydrophobicContact CB-CG 3.66Å; L175-L219 HydrophobicContact CD2-CD1 3.31Å; N215-L219 VanDerWaalsContact O-CB 3.26Å; N215-L219 WeakPolarHBondContact O-CB 3.4Å; N215-L219 PolarHBondContact O-N 2.8Å; H216-L219 WeakPolarHBondContact O-CA 3.41Å; H216-L219 WeakPolarHBondContact O-CB 3.33Å; H216-L219 PolarHBondContact O-N 2.88Å; A217-L219 VanDerWaalsContact C-N 3.34Å; L219-A222 PolarHBondContact O-N 2.83Å; L219-I223 HydrophobicContact CD1-CD1 4.22Å; L219-I223 HydrophobicContact CD1-CG1 4.47Å; L219-I223 HydrophobicContact CG-CD1 4.12Å; L219-I223 WeakPolarHBondContact O-CB 3.34Å; L219-I223 WeakPolarHBondContact O-CD1 3.5Å; L219-I223 VanDerWaalsContact O-CG1 3.23Å; L219-I223 WeakPolarHBondContact O-CG1 3.47Å; L219-I223 PolarHBondContact O-N 3.07Å
220E92.2Very high91.2Very high94 Ų9450.9 Ų50.944%0.43927%0.266SS..Hα-helixtrans-62-50.4172.4-67.9174117.900111.2A147 H216 A217 A222 I223 D224A147-E220 HydrophobicContact CB-CB 4.42Å; A147-E220 HydrophobicContact CB-CG 3.37Å; H216-E220 IonicContact CE1-OE1 3.27Å; H216-E220 PolarHBondContact CE1-OE1 2.76Å; H216-E220 IonicContact CE1-OE2 2.73Å; H216-E220 PolarHBondContact CE1-OE2 3.14Å; H216-E220 IonicContact ND1-OE1 2.65Å; H216-E220 IonicContact ND1-OE2 3.85Å; H216-E220 PolarHBondContact ND1-OE2 2.99Å; H216-E220 PolarHBondContact O-N 2.86Å; A217-E220 PolarHBondContact O-N 3.13Å; E220-A222 VanDerWaalsContact C-N 3.31Å; E220-A222 PolarHBondContact O-N 2.69Å; E220-I223 PolarHBondContact O-N 3.46Å; E220-D224 PolarHBondContact O-N 3.17Å
221I91.7Very high90.7Very high37 Ų3752.3 Ų52.319%0.1927%0.268CS..Hα-helixtrans-61.2-39.7177.6-67.1164.7000111.4L193 E196 A217 K225L193-I221 HydrophobicContact CD1-CD1 3.49Å; L193-I221 VanDerWaalsContact CD1-CD1 3.49Å; E196-I221 HydrophobicContact CB-CD1 4.05Å; E196-I221 HydrophobicContact CB-CG2 4.38Å; E196-I221 HydrophobicContact CG-CG2 4.34Å; A217-I221 WeakPolarHBondContact O-CD1 3.18Å; A217-I221 VanDerWaalsContact O-CG1 3.31Å; A217-I221 WeakPolarHBondContact O-CG1 3.33Å; A217-I221 PolarHBondContact O-N 2.98Å; A217-I221 VanDerWaalsContact O-N 3.08Å; I221-K225 HydrophobicContact CG2-CD 4.26Å; I221-K225 HydrophobicContact CG2-CG 4.48Å; I221-K225 WeakPolarHBondContact O-CB 3.4Å; I221-K225 WeakPolarHBondContact O-CG 3.38Å; I221-K225 PolarHBondContact O-N 3.27Å
222A93Very high90.1Very high0 Ų052.2 Ų52.20%027%0.267CS..Hα-helixtrans-65.8-43.3178.400000112.4L175 F180 L181 L218 L219 E220 K225 Q226L175-A222 HydrophobicContact CD1-CB 4.06Å; F180-A222 HydrophobicContact CB-CB 3.76Å; L181-A222 HydrophobicContact CD2-CB 3.66Å; L181-A222 HydrophobicContact CG-CB 3.97Å; L218-A222 WeakPolarHBondContact O-CB 3.43Å; L218-A222 PolarHBondContact O-N 2.89Å; L219-A222 PolarHBondContact O-N 2.83Å; E220-A222 VanDerWaalsContact C-N 3.31Å; E220-A222 PolarHBondContact O-N 2.69Å; A222-K225 PolarHBondContact O-N 2.66Å; A222-Q226 WeakPolarHBondContact O-CB 3.46Å; A222-Q226 PolarHBondContact O-N 2.63Å
223I92.4Very high89.5Confident5 Ų552.3 Ų52.33%0.02626%0.261CS..Hα-helixtrans-61-49.9174.8-71.2164.4000110.4F123 I125 A147 L175 L219 E220 K225 Q226 M227F123-I223 HydrophobicContact CE1-CD1 3.8Å; F123-I223 HydrophobicContact CE1-CG1 4.45Å; F123-I223 HydrophobicContact CZ-CD1 4.14Å; I125-I223 HydrophobicContact CD1-CG1 4.29Å; I125-I223 HydrophobicContact CG1-CG1 4.3Å; I125-I223 HydrophobicContact CG2-CG2 3.86Å; A147-I223 HydrophobicContact CB-CD1 4.24Å; L175-I223 HydrophobicContact CD1-CG1 4.46Å; L219-I223 HydrophobicContact CD1-CD1 4.22Å; L219-I223 HydrophobicContact CD1-CG1 4.47Å; L219-I223 HydrophobicContact CG-CD1 4.12Å; L219-I223 WeakPolarHBondContact O-CB 3.34Å; L219-I223 WeakPolarHBondContact O-CD1 3.5Å; L219-I223 VanDerWaalsContact O-CG1 3.23Å; L219-I223 WeakPolarHBondContact O-CG1 3.47Å; L219-I223 PolarHBondContact O-N 3.07Å; E220-I223 PolarHBondContact O-N 3.46Å; I223-K225 VanDerWaalsContact C-N 3.34Å; I223-K225 PolarHBondContact O-N 3.17Å; I223-Q226 PolarHBondContact O-N 3.03Å; I223-M227 HydrophobicContact CG2-CG 4.33Å; I223-M227 WeakPolarHBondContact O-CB 3.26Å; I223-M227 VanDerWaalsContact O-CG 3.28Å; I223-M227 WeakPolarHBondContact O-CG 3.16Å; I223-M227 PolarHBondContact O-N 2.97Å
224D91.2Very high88.5Confident89 Ų8953.5 Ų53.548%0.47626%0.263SS..Hα-helixtrans-63.5-37.4-179-92.413000112.7E220 K228E220-D224 PolarHBondContact O-N 3.17Å; D224-K228 VanDerWaalsContact O-CG 3.3Å; D224-K228 WeakPolarHBondContact O-CG 3.45Å; D224-K228 PolarHBondContact O-N 3.19Å; D224-K228 VanDerWaalsContact O-N 3.12Å
225K91.8Very high87.4Confident78 Ų7858.4 Ų58.434%0.33928%0.284SS..Hα-helixtrans-65.9-45.2173.8-78.5-173.3177.1-163.30112.3F180 E196 I221 A222 I223 K228 A229F180-K225 HydrophobicContact CD1-CB 3.7Å; F180-K225 HydrophobicContact CE1-CB 3.94Å; E196-K225 IonicContact OE1-NZ 3.78Å; E196-K225 PolarHBondContact OE1-NZ 3.12Å; E196-K225 WeakPolarHBondContact OE2-CE 3.25Å; E196-K225 IonicContact OE2-NZ 3.49Å; E196-K225 PolarHBondContact OE2-NZ 2.94Å; I221-K225 HydrophobicContact CG2-CD 4.26Å; I221-K225 HydrophobicContact CG2-CG 4.48Å; I221-K225 WeakPolarHBondContact O-CB 3.4Å; I221-K225 WeakPolarHBondContact O-CG 3.38Å; I221-K225 PolarHBondContact O-N 3.27Å; A222-K225 PolarHBondContact O-N 2.66Å; I223-K225 VanDerWaalsContact C-N 3.34Å; I223-K225 PolarHBondContact O-N 3.17Å; K225-K228 PolarHBondContact O-N 3.3Å; K225-A229 WeakPolarHBondContact O-CB 3.4Å; K225-A229 PolarHBondContact O-N 3.03Å
226Q93.2Very high86.2Confident26 Ų2659.8 Ų59.812%0.12129%0.291CS..Hα-helixtrans-67.5-38.5180-172.5172.4-22.700111.9I125 Y174 F180 A222 I223 A229 D230I125-Q226 HydrophobicContact CD1-CB 4.13Å; I125-Q226 HydrophobicContact CD1-CG 4.2Å; Y174-Q226 PolarHBondContact O-NE2 2.93Å; F180-Q226 HydrophobicContact CD1-CB 4.39Å; F180-Q226 HydrophobicContact CD2-CB 3.86Å; F180-Q226 HydrophobicContact CD2-CG 4.11Å; F180-Q226 HydrophobicContact CE1-CB 4.19Å; F180-Q226 HydrophobicContact CE2-CB 3.65Å; F180-Q226 HydrophobicContact CE2-CG 3.58Å; F180-Q226 HydrophobicContact CG-CB 4.24Å; F180-Q226 HydrophobicContact CZ-CB 3.83Å; F180-Q226 HydrophobicContact CZ-CG 3.99Å; A222-Q226 WeakPolarHBondContact O-CB 3.46Å; A222-Q226 PolarHBondContact O-N 2.63Å; I223-Q226 PolarHBondContact O-N 3.03Å; Q226-A229 PolarHBondContact O-N 2.88Å; Q226-D230 PolarHBondContact O-N 2.98Å
227M90Very high84.5Confident32 Ų3260.4 Ų60.416%0.15830%0.297CS..Hα-helixtrans-62.1-44174.7-71.9-67.2-64.100111.9I125 M126 M173 I223 D230 E231I125-M227 HydrophobicContact CG2-CG 4.09Å; I125-M227 HydrophobicContact CG2-SD 3.7Å; M126-M227 HydrophobicContact CE-CE 4.4Å; M126-M227 HydrophobicContact CG-CE 4.5Å; M126-M227 HydrophobicContact CG-SD 4.02Å; M126-M227 HydrophobicContact SD-CE 3.95Å; M126-M227 HydrophobicContact SD-SD 4.13Å; M173-M227 HydrophobicContact CE-SD 4.39Å; M173-M227 HydrophobicContact SD-SD 3.87Å; I223-M227 HydrophobicContact CG2-CG 4.33Å; I223-M227 WeakPolarHBondContact O-CB 3.26Å; I223-M227 VanDerWaalsContact O-CG 3.28Å; I223-M227 WeakPolarHBondContact O-CG 3.16Å; I223-M227 PolarHBondContact O-N 2.97Å; M227-D230 PolarHBondContact O-N 2.96Å; M227-E231 PolarHBondContact O-N 2.93Å
228K89.8Confident82.7Confident122 Ų12264.7 Ų64.753%0.5332%0.321SS..Hα-helixtrans-62.8-43.5174.8-73.3168.4-175.3169.70112.1D224 K225 D230 E231 E232D224-K228 VanDerWaalsContact O-CG 3.3Å; D224-K228 WeakPolarHBondContact O-CG 3.45Å; D224-K228 PolarHBondContact O-N 3.19Å; D224-K228 VanDerWaalsContact O-N 3.12Å; K225-K228 PolarHBondContact O-N 3.3Å; K228-D230 VanDerWaalsContact C-N 3.32Å; K228-D230 PolarHBondContact O-N 2.93Å; K228-E231 PolarHBondContact O-N 3.41Å; K228-E232 WeakPolarHBondContact O-CB 3.48Å; K228-E232 WeakPolarHBondContact O-CG 3.43Å; K228-E232 PolarHBondContact O-N 3.14Å
229A88Confident80.8Confident27 Ų2768.1 Ų68.122%0.22334%0.339CS..Hα-helixtrans-63.1-36176.700000112.5F180 K225 Q226 N233F180-A229 HydrophobicContact CZ-CB 4.38Å; K225-A229 WeakPolarHBondContact O-CB 3.4Å; K225-A229 PolarHBondContact O-N 3.03Å; Q226-A229 PolarHBondContact O-N 2.88Å; A229-N233 VanDerWaalsContact O-CB 3.29Å; A229-N233 WeakPolarHBondContact O-CB 3.39Å; A229-N233 PolarHBondContact O-N 2.97Å; A229-N233 PolarHBondContact O-ND2 3.34Å
230D83.8Confident78.8Confident44 Ų4472.7 Ų72.724%0.23536%0.363CS..Hα-helixtrans-68.4-40.3173.5-179.569.2000112.2M173 Q226 M227 K228 K234M173-D230 HydrophobicContact CE-CB 3.74Å; M173-D230 VanDerWaalsContact CE-OD2 3.3Å; M173-D230 WeakPolarHBondContact CE-OD2 3.4Å; Q226-D230 PolarHBondContact O-N 2.98Å; M227-D230 PolarHBondContact O-N 2.96Å; K228-D230 VanDerWaalsContact C-N 3.32Å; K228-D230 PolarHBondContact O-N 2.93Å; D230-K234 WeakPolarHBondContact O-CB 3.42Å; D230-K234 WeakPolarHBondContact O-CD 3.34Å; D230-K234 VanDerWaalsContact O-CG 3.26Å; D230-K234 WeakPolarHBondContact O-CG 3.5Å; D230-K234 PolarHBondContact O-N 3.26Å; D230-K234 IonicContact OD1-NZ 2.66Å; D230-K234 VanDerWaalsContact OD2-CE 3.25Å; D230-K234 WeakPolarHBondContact OD2-CE 3.28Å; D230-K234 IonicContact OD2-NZ 2.65Å; D230-K234 PolarHBondContact OD2-NZ 2.97Å
231E81.8Confident76.5Confident106 Ų10674.7 Ų74.750%0.49537%0.373SS..Hα-helixtrans-64.1-41.8172-73.8-173.5-170.200112.8M227 K228 K234 K235M227-E231 PolarHBondContact O-N 2.93Å; K228-E231 PolarHBondContact O-N 3.41Å; E231-K234 PolarHBondContact O-N 2.86Å; E231-K235 VanDerWaalsContact O-CG 3.3Å; E231-K235 WeakPolarHBondContact O-CG 3.42Å; E231-K235 PolarHBondContact O-N 2.69Å
232E79.3Confident73.7Confident116 Ų11674 Ų7454%0.54238%0.375SS..Hα-helixtrans-64.9-45.8175.7-75.1171.5-166.600111.5K228 K234 K235 I236K228-E232 WeakPolarHBondContact O-CB 3.48Å; K228-E232 WeakPolarHBondContact O-CG 3.43Å; K228-E232 PolarHBondContact O-N 3.14Å; E232-K234 VanDerWaalsContact C-N 3.32Å; E232-K234 PolarHBondContact O-N 3.22Å; E232-K235 PolarHBondContact O-N 3.41Å; E232-I236 WeakPolarHBondContact O-CB 3.49Å; E232-I236 VanDerWaalsContact O-CG1 3.28Å; E232-I236 WeakPolarHBondContact O-CG1 3.12Å; E232-I236 PolarHBondContact O-N 2.93Å
233N76.1Confident71Confident90 Ų9077.3 Ų77.348%0.48140%0.398SS..Hα-helixtrans-61.2-39.1174.6-75.5-40.8000112A229 I236 N237A229-N233 VanDerWaalsContact O-CB 3.29Å; A229-N233 WeakPolarHBondContact O-CB 3.39Å; A229-N233 PolarHBondContact O-N 2.97Å; A229-N233 PolarHBondContact O-ND2 3.34Å; N233-I236 PolarHBondContact O-N 3.41Å; N233-N237 WeakPolarHBondContact O-CB 3.49Å; N233-N237 VanDerWaalsContact O-CG 3.29Å; N233-N237 PolarHBondContact O-N 2.83Å; N233-N237 PolarHBondContact O-OD1 3.37Å
234K71.4Confident68.5Low96 Ų9684.5 Ų84.542%0.41744%0.436SS..Hα-helixtrans-64-43.5174.1-77.7165.2177.3168.30112.3D230 E231 E232 N237 V238D230-K234 WeakPolarHBondContact O-CB 3.42Å; D230-K234 WeakPolarHBondContact O-CD 3.34Å; D230-K234 VanDerWaalsContact O-CG 3.26Å; D230-K234 WeakPolarHBondContact O-CG 3.5Å; D230-K234 PolarHBondContact O-N 3.26Å; D230-K234 IonicContact OD1-NZ 2.66Å; D230-K234 VanDerWaalsContact OD2-CE 3.25Å; D230-K234 WeakPolarHBondContact OD2-CE 3.28Å; D230-K234 IonicContact OD2-NZ 2.65Å; D230-K234 PolarHBondContact OD2-NZ 2.97Å; E231-K234 PolarHBondContact O-N 2.86Å; E232-K234 VanDerWaalsContact C-N 3.32Å; E232-K234 PolarHBondContact O-N 3.22Å; K234-N237 PolarHBondContact O-N 2.98Å; K234-V238 WeakPolarHBondContact O-CG2 3.46Å; K234-V238 PolarHBondContact O-N 2.9Å
235K69.7Low66.2Low102 Ų10287.9 Ų87.944%0.44345%0.454SS..Hα-helixtrans-60.3-45.9173.6-70.7166.5-174.1174.30111E231 E232 V238 L239E231-K235 VanDerWaalsContact O-CG 3.3Å; E231-K235 WeakPolarHBondContact O-CG 3.42Å; E231-K235 PolarHBondContact O-N 2.69Å; E232-K235 PolarHBondContact O-N 3.41Å; K235-V238 PolarHBondContact O-N 3.46Å; K235-L239 VanDerWaalsContact O-CG 3.29Å; K235-L239 WeakPolarHBondContact O-CG 3.4Å; K235-L239 PolarHBondContact O-N 2.76Å; K235-L239 VanDerWaalsContact O-N 3.12Å
236I65.1Low64Low83 Ų8390 Ų9043%0.42647%0.469SS..Hα-helixtrans-63.5-43.2178.6-69.8164.2000111.1E232 N233 L239 N240E232-I236 WeakPolarHBondContact O-CB 3.49Å; E232-I236 VanDerWaalsContact O-CG1 3.28Å; E232-I236 WeakPolarHBondContact O-CG1 3.12Å; E232-I236 PolarHBondContact O-N 2.93Å; N233-I236 PolarHBondContact O-N 3.41Å; I236-L239 PolarHBondContact O-N 3.31Å; I236-L239 VanDerWaalsContact O-N 3.15Å; I236-N240 WeakPolarHBondContact CG2-ND2 3.14Å; I236-N240 WeakPolarHBondContact O-CB 3.21Å; I236-N240 VanDerWaalsContact O-CG 3.22Å; I236-N240 PolarHBondContact O-N 2.97Å; I236-N240 PolarHBondContact O-ND2 3.24Å
237N56.1Low61.6Low79 Ų7992.1 Ų92.142%0.42250%0.497SS..Hα-helixtrans-63.2-45176.7-74.312.1000111.6N233 K234 L239 N240 E241N233-N237 WeakPolarHBondContact O-CB 3.49Å; N233-N237 VanDerWaalsContact O-CG 3.29Å; N233-N237 PolarHBondContact O-N 2.83Å; N233-N237 PolarHBondContact O-OD1 3.37Å; K234-N237 PolarHBondContact O-N 2.98Å; N237-L239 PolarHBondContact O-N 2.99Å; N237-N240 PolarHBondContact O-N 3.4Å; N237-E241 VanDerWaalsContact O-CB 3.28Å; N237-E241 WeakPolarHBondContact O-CB 3.48Å; N237-E241 WeakPolarHBondContact O-CG 3.3Å; N237-E241 PolarHBondContact O-N 2.9Å
238V55.7Low59.6Low101 Ų10193.1 Ų93.161%0.61251%0.506SS*.Hα-helixtrans-60.6-27.8175170.30000112.5K234 K235 G242K234-V238 WeakPolarHBondContact O-CG2 3.46Å; K234-V238 PolarHBondContact O-N 2.9Å; K235-V238 PolarHBondContact O-N 3.46Å; V238-G242 PolarHBondContact O-N 2.85Å
239L51.8Low57.8Low77 Ų7794.3 Ų94.340%0.40351%0.507SS..Hα-helixtrans-83.4-23.1175-65.7177.3000114.2K235 I236 N237 I253K235-L239 VanDerWaalsContact O-CG 3.29Å; K235-L239 WeakPolarHBondContact O-CG 3.4Å; K235-L239 PolarHBondContact O-N 2.76Å; K235-L239 VanDerWaalsContact O-N 3.12Å; I236-L239 PolarHBondContact O-N 3.31Å; I236-L239 VanDerWaalsContact O-N 3.15Å; N237-L239 PolarHBondContact O-N 2.99Å; L239-I253 HydrophobicContact CD2-CG2 3.65Å
240N49.8Very low56Low122 Ų122100.2 Ų100.265%0.65253%0.528SS*.Hα-helixtrans-96.3-32.4-179.5-67.9-17.6000112.8I236 N237I236-N240 WeakPolarHBondContact CG2-ND2 3.14Å; I236-N240 WeakPolarHBondContact O-CB 3.21Å; I236-N240 VanDerWaalsContact O-CG 3.22Å; I236-N240 PolarHBondContact O-N 2.97Å; I236-N240 PolarHBondContact O-ND2 3.24Å; N237-N240 PolarHBondContact O-N 3.4Å
241E44.7Very low54.7Low137 Ų137103.1 Ų103.164%0.6454%0.54SS*.SBendtrans-83.68.7167.5-60.2172.9-168.800110.8N237 S243N237-E241 VanDerWaalsContact O-CB 3.28Å; N237-E241 WeakPolarHBondContact O-CB 3.48Å; N237-E241 WeakPolarHBondContact O-CG 3.3Å; N237-E241 PolarHBondContact O-N 2.9Å; E241-S243 PolarHBondContact O-N 3.43Å
242G33.8Very low53.8Low23 Ų23100.9 Ų100.924%0.23753%0.531CS..  trans-73.942.1-178.200000115V238V238-G242 PolarHBondContact O-N 2.85Å
243S34.6Very low52.8Low68 Ų6896.5 Ų96.548%0.47651%0.511SS..SBendtrans-153.5174.7165.272.90000110.9E241 L245E241-S243 PolarHBondContact O-N 3.43Å; S243-L245 VanDerWaalsContact C-N 3.3Å; S243-L245 PolarHBondContact O-N 3.15Å
244D41.9Very low52.4Low156 Ų15694.7 Ų94.783%0.83450%0.5SS*.SBendtrans71.5-35.5165.3-49.66.9000118.7
245L43Very low52.5Low160 Ų16096.4 Ų96.484%0.83850%0.504SS*.SBendtrans-100.9-25.4-164-79.5173.2000118.4S243S243-L245 VanDerWaalsContact C-N 3.3Å; S243-L245 PolarHBondContact O-N 3.15Å
246D44Very low52.4Low123 Ų12396.8 Ų96.866%0.65851%0.507SS*.SBendtrans-126.8-8-178.473.21.6000115.5T248D246-T248 WeakPolarHBondContact OD1-CB 3.46Å; D246-T248 WeakPolarHBondContact OD1-CG2 3.26Å; D246-T248 PolarHBondContact OD1-N 2.7Å; D246-T248 PolarHBondContact OD1-OG1 2.9Å
247G42.9Very low52.9Low70 Ų7097.3 Ų97.372%0.72251%0.506SS*.  trans81.610.4178.800000115.4
248T48.3Very low54.2Low54 Ų5494.9 Ų94.933%0.33149%0.492SS..  trans-63.4139.416951.50000111.3D246D246-T248 WeakPolarHBondContact OD1-CB 3.46Å; D246-T248 WeakPolarHBondContact OD1-CG2 3.26Å; D246-T248 PolarHBondContact OD1-N 2.7Å; D246-T248 PolarHBondContact OD1-OG1 2.9Å
249R52.6Low55.3Low147 Ų14795.4 Ų95.456%0.55549%0.488SS*.  trans-86.9153.8178.3-66.9166.963.693.6-1109.7E251 D252 I253R249-E251 HydrophobicContact CB-CB 4.33Å; R249-E251 IonicContact CZ-OE1 2.6Å; R249-E251 IonicContact CZ-OE2 3.66Å; R249-E251 VanDerWaalsContact CZ-OE2 3.27Å; R249-E251 IonicContact NE-OE1 2.72Å; R249-E251 IonicContact NE-OE2 2.63Å; R249-E251 PolarHBondContact NE-OE2 2.72Å; R249-E251 IonicContact NH2-OE1 2.86Å; R249-E251 PolarHBondContact NH2-OE1 3.33Å; R249-E251 IonicContact NH2-OE2 3.83Å; R249-E251 PolarHBondContact NH2-OE2 3.39Å; R249-E251 PolarHBondContact O-N 2.79Å; R249-E251 VanDerWaalsContact O-N 3.11Å; R249-D252 WeakPolarHBondContact CB-OD2 3.47Å; R249-D252 PolarHBondContact N-OD2 2.82Å; R249-D252 WeakPolarHBondContact O-CA 3.4Å; R249-D252 VanDerWaalsContact O-CB 3.31Å; R249-D252 WeakPolarHBondContact O-CB 3.47Å; R249-D252 PolarHBondContact O-N 3.31Å; R249-I253 PolarHBondContact O-N 2.98Å
250F48.7Very low56.3Low150 Ų15097 Ų9766%0.65849%0.492SS*.Hα-helixtrans-55.3-31.5173-166.4-87.2000112.6D252 I253 E254F250-D252 VanDerWaalsContact C-N 3.3Å; F250-D252 PolarHBondContact O-N 3.38Å; F250-I253 PolarHBondContact O-N 3.21Å; F250-E254 HydrophobicContact CD1-CG 4.45Å; F250-E254 HydrophobicContact CE1-CG 4.16Å; F250-E254 PolarHBondContact O-N 2.89Å; F250-E254 VanDerWaalsContact O-N 3.1Å
251E57Low58Low106 Ų10695.6 Ų95.650%0.49548%0.481SS..Hα-helixtrans-60.2-33.6172-63.8160.5-175.100113.3R249 R255R249-E251 HydrophobicContact CB-CB 4.33Å; R249-E251 IonicContact CZ-OE1 2.6Å; R249-E251 IonicContact CZ-OE2 3.66Å; R249-E251 VanDerWaalsContact CZ-OE2 3.27Å; R249-E251 IonicContact NE-OE1 2.72Å; R249-E251 IonicContact NE-OE2 2.63Å; R249-E251 PolarHBondContact NE-OE2 2.72Å; R249-E251 IonicContact NH2-OE1 2.86Å; R249-E251 PolarHBondContact NH2-OE1 3.33Å; R249-E251 IonicContact NH2-OE2 3.83Å; R249-E251 PolarHBondContact NH2-OE2 3.39Å; R249-E251 PolarHBondContact O-N 2.79Å; R249-E251 VanDerWaalsContact O-N 3.11Å; E251-R255 WeakPolarHBondContact O-CB 3.35Å; E251-R255 PolarHBondContact O-N 3.33Å
252D63.6Low59.9Low59 Ų5990 Ų9032%0.31646%0.456SS..Hα-helixtrans-75.3-32.8176-57.4-50000110.9R249 F250 R255 Q256R249-D252 WeakPolarHBondContact CB-OD2 3.47Å; R249-D252 PolarHBondContact N-OD2 2.82Å; R249-D252 WeakPolarHBondContact O-CA 3.4Å; R249-D252 VanDerWaalsContact O-CB 3.31Å; R249-D252 WeakPolarHBondContact O-CB 3.47Å; R249-D252 PolarHBondContact O-N 3.31Å; F250-D252 VanDerWaalsContact C-N 3.3Å; F250-D252 PolarHBondContact O-N 3.38Å; D252-R255 PolarHBondContact O-N 3.07Å; D252-Q256 WeakPolarHBondContact O-CB 3.47Å; D252-Q256 VanDerWaalsContact O-CG 3.27Å; D252-Q256 WeakPolarHBondContact O-CG 3.39Å; D252-Q256 PolarHBondContact O-N 2.67Å
253I58.7Low62Low23 Ų2391.4 Ų91.412%0.11847%0.465CS..Hα-helixtrans-69.3-43.3177.1-56.5176.5000111.1L239 R249 F250 R255 Q256 K257L239-I253 HydrophobicContact CD2-CG2 3.65Å; R249-I253 PolarHBondContact O-N 2.98Å; F250-I253 PolarHBondContact O-N 3.21Å; I253-R255 VanDerWaalsContact C-N 3.3Å; I253-R255 PolarHBondContact O-N 3.45Å; I253-Q256 PolarHBondContact O-N 2.93Å; I253-K257 WeakPolarHBondContact O-CG 3.46Å; I253-K257 PolarHBondContact O-N 3.43Å; I253-K257 VanDerWaalsContact O-N 3.17Å
254E66.1Low64.2Low53 Ų5391.9 Ų91.925%0.24846%0.46CS..Hα-helixtrans-60.8-39.3172.1-77-166.1176.600111.7F250 F258 H286 K289F250-E254 HydrophobicContact CD1-CG 4.45Å; F250-E254 HydrophobicContact CE1-CG 4.16Å; F250-E254 PolarHBondContact O-N 2.89Å; F250-E254 VanDerWaalsContact O-N 3.1Å; E254-F258 PolarHBondContact O-N 3.45Å; E254-H286 IonicContact OE2-CE1 2.83Å; E254-H286 PolarHBondContact OE2-CE1 3.16Å; E254-H286 VanDerWaalsContact OE2-CE1 3.25Å; E254-H286 IonicContact OE2-NE2 2.74Å; E254-K289 IonicContact OE1-NZ 3.7Å; E254-K289 PolarHBondContact OE1-NZ 2.86Å; E254-K289 IonicContact OE2-NZ 3.98Å; E254-K289 PolarHBondContact OE2-NZ 3.07Å
255R74.4Confident66.3Low131 Ų13186.3 Ų86.349%0.49443%0.429SS..Hα-helixtrans-66.1-45.5176.4-177.8-174.8-60.9-93.3-4.4112.8E251 D252 I253 K257 F258 E259E251-R255 WeakPolarHBondContact O-CB 3.35Å; E251-R255 PolarHBondContact O-N 3.33Å; D252-R255 PolarHBondContact O-N 3.07Å; I253-R255 VanDerWaalsContact C-N 3.3Å; I253-R255 PolarHBondContact O-N 3.45Å; R255-K257 VanDerWaalsContact C-N 3.33Å; R255-K257 PolarHBondContact O-N 2.94Å; R255-F258 PolarHBondContact O-N 3.26Å; R255-E259 PolarHBondContact O-N 3.4Å
256Q68.7Low68.1Low111 Ų11184.7 Ų84.752%0.51942%0.415SS..Hα-helixtrans-62.2-39.2179.7-76.217636.700111.9D252 I253 E259 F260D252-Q256 WeakPolarHBondContact O-CB 3.47Å; D252-Q256 VanDerWaalsContact O-CG 3.27Å; D252-Q256 WeakPolarHBondContact O-CG 3.39Å; D252-Q256 PolarHBondContact O-N 2.67Å; I253-Q256 PolarHBondContact O-N 2.93Å; Q256-E259 PolarHBondContact O-N 2.85Å; Q256-F260 WeakPolarHBondContact O-CB 3.25Å; Q256-F260 PolarHBondContact O-N 2.91Å
257K75.5Confident69.8Low93 Ų9386.5 Ų86.540%0.40442%0.417SS..Hα-helixtrans-58.6-50.5172.4-72.5175.1-178.4175.20111.8I253 R255 E259 F260 E261I253-K257 WeakPolarHBondContact O-CG 3.46Å; I253-K257 PolarHBondContact O-N 3.43Å; I253-K257 VanDerWaalsContact O-N 3.17Å; R255-K257 VanDerWaalsContact C-N 3.33Å; R255-K257 PolarHBondContact O-N 2.94Å; K257-E259 VanDerWaalsContact C-N 3.35Å; K257-E259 PolarHBondContact O-N 2.51Å; K257-F260 PolarHBondContact O-N 3.07Å; K257-E261 PolarHBondContact O-N 2.67Å
258F82.7Confident71.6Confident28 Ų2888.6 Ų88.612%0.12341%0.412CS..Hα-helixtrans-59.9-42.1178168.2-102.1000112.7E254 R255 F260 L262 F278 I279 Y282E254-F258 PolarHBondContact O-N 3.45Å; R255-F258 PolarHBondContact O-N 3.26Å; F258-F260 VanDerWaalsContact C-N 3.35Å; F258-L262 HydrophobicContact CE1-CD2 4.04Å; F258-L262 HydrophobicContact CZ-CD2 3.96Å; F258-L262 WeakPolarHBondContact O-CB 3.26Å; F258-L262 PolarHBondContact O-N 3.47Å; F258-F278 HydrophobicContact CD2-CD1 4.23Å; F258-F278 AromaticContact CD2-CE1 3.43Å; F258-F278 HydrophobicContact CD2-CE1 3.43Å; F258-F278 VanDerWaalsContact CD2-CE1 3.43Å; F258-F278 AromaticContact CD2-CZ 3.86Å; F258-F278 HydrophobicContact CD2-CZ 3.86Å; F258-F278 AromaticContact CE2-CD1 3.88Å; F258-F278 HydrophobicContact CE2-CD1 3.88Å; F258-F278 AromaticContact CE2-CE1 3.53Å; F258-F278 HydrophobicContact CE2-CE1 3.53Å; F258-F278 HydrophobicContact CE2-CZ 4.34Å; F258-I279 HydrophobicContact CE2-CG1 4.37Å; F258-I279 HydrophobicContact CZ-CG1 4.08Å; F258-Y282 HydrophobicContact CB-CD2 3.68Å; F258-Y282 HydrophobicContact CB-CE2 3.38Å; F258-Y282 HydrophobicContact CB-CG 4.37Å; F258-Y282 HydrophobicContact CD1-CD1 4.14Å; F258-Y282 HydrophobicContact CD1-CD2 4.46Å; F258-Y282 HydrophobicContact CD1-CE1 4Å; F258-Y282 HydrophobicContact CD1-CE2 4.31Å; F258-Y282 HydrophobicContact CD1-CG 4.38Å; F258-Y282 AromaticContact CD2-CD1 3.89Å; F258-Y282 HydrophobicContact CD2-CD1 3.89Å; F258-Y282 AromaticContact CD2-CD2 3.42Å; F258-Y282 HydrophobicContact CD2-CD2 3.42Å; F258-Y282 VanDerWaalsContact CD2-CD2 3.42Å; F258-Y282 HydrophobicContact CD2-CE1 4.42Å; F258-Y282 AromaticContact CD2-CE2 3.99Å; F258-Y282 HydrophobicContact CD2-CE2 3.99Å; F258-Y282 AromaticContact CD2-CG 3.35Å; F258-Y282 HydrophobicContact CD2-CG 3.35Å; F258-Y282 HydrophobicContact CE1-CD1 4.14Å; F258-Y282 HydrophobicContact CE1-CE1 4.27Å; F258-Y282 AromaticContact CE2-CD1 3.88Å; F258-Y282 HydrophobicContact CE2-CD1 3.88Å; F258-Y282 HydrophobicContact CE2-CD2 4.15Å; F258-Y282 AromaticContact CE2-CG 3.58Å; F258-Y282 HydrophobicContact CE2-CG 3.58Å; F258-Y282 HydrophobicContact CG-CD1 4.01Å; F258-Y282 AromaticContact CG-CD2 3.6Å; F258-Y282 HydrophobicContact CG-CD2 3.6Å; F258-Y282 HydrophobicContact CG-CE1 4.07Å; F258-Y282 AromaticContact CG-CE2 3.64Å; F258-Y282 HydrophobicContact CG-CE2 3.64Å; F258-Y282 AromaticContact CG-CG 3.78Å; F258-Y282 HydrophobicContact CG-CG 3.78Å; F258-Y282 AromaticContact CG-CZ 3.88Å; F258-Y282 AromaticContact CZ-CD1 3.99Å; F258-Y282 HydrophobicContact CZ-CD1 3.99Å; F258-Y282 HydrophobicContact CZ-CG 4.18Å
259E78.7Confident73.2Confident112 Ų11288.9 Ų88.952%0.52343%0.426SS..Hα-helixtrans-67.3-34.1177.4-71.9-177.3-166.900112.6R255 Q256 K257 A263R255-E259 PolarHBondContact O-N 3.4Å; Q256-E259 PolarHBondContact O-N 2.85Å; K257-E259 VanDerWaalsContact C-N 3.35Å; K257-E259 PolarHBondContact O-N 2.51Å; E259-A263 PolarHBondContact O-N 2.95Å; E259-A263 VanDerWaalsContact O-N 3.14Å
260F73.1Confident74.6Confident111 Ų11184.1 Ų84.149%0.48742%0.415SS..Hα-helixtrans-67.8-53.9174.1-174.7-84.1000112.2Q256 K257 F258 L262 A263 E264Q256-F260 WeakPolarHBondContact O-CB 3.25Å; Q256-F260 PolarHBondContact O-N 2.91Å; K257-F260 PolarHBondContact O-N 3.07Å; F258-F260 VanDerWaalsContact C-N 3.35Å; F260-L262 VanDerWaalsContact C-N 3.27Å; F260-L262 PolarHBondContact O-N 3.41Å; F260-A263 WeakPolarHBondContact O-CA 3.36Å; F260-A263 WeakPolarHBondContact O-CB 3.33Å; F260-A263 PolarHBondContact O-N 2.83Å; F260-E264 WeakPolarHBondContact CE1-OE2 3.25Å; F260-E264 PolarHBondContact O-N 3Å
261E84Confident76.2Confident92 Ų9279.4 Ų79.443%0.4340%0.401SS..Hα-helixtrans-59.6-40.1178.4-71.5171.7-154.600111.1K257 A263 E264 M265 F278K257-E261 PolarHBondContact O-N 2.67Å; E261-A263 PolarHBondContact O-N 3.27Å; E261-E264 PolarHBondContact O-N 3.05Å; E261-M265 WeakPolarHBondContact O-CG 3.28Å; E261-M265 PolarHBondContact O-N 3.15Å; E261-F278 HydrophobicContact CB-CE1 4.24Å; E261-F278 HydrophobicContact CB-CE2 4.41Å; E261-F278 HydrophobicContact CB-CZ 3.64Å; E261-F278 WeakPolarHBondContact OE2-CE2 3.49Å; E261-F278 VanDerWaalsContact OE2-CZ 3.29Å; E261-F278 WeakPolarHBondContact OE2-CZ 3.5Å
262L85.3Confident77.5Confident20 Ų2083.8 Ų83.811%0.10542%0.418CS..Hα-helixtrans-66.7-21.2174.3-176.860.3000113.4F258 F260 K266 I275 F278 I279F258-L262 HydrophobicContact CE1-CD2 4.04Å; F258-L262 HydrophobicContact CZ-CD2 3.96Å; F258-L262 WeakPolarHBondContact O-CB 3.26Å; F258-L262 PolarHBondContact O-N 3.47Å; F260-L262 VanDerWaalsContact C-N 3.27Å; F260-L262 PolarHBondContact O-N 3.41Å; L262-K266 WeakPolarHBondContact O-CD 3.47Å; L262-K266 WeakPolarHBondContact O-CE 3.28Å; L262-K266 WeakPolarHBondContact O-CG 3.23Å; L262-K266 PolarHBondContact O-NZ 2.77Å; L262-I275 HydrophobicContact CD1-CG2 3.83Å; L262-F278 HydrophobicContact CB-CE1 4.14Å; L262-F278 HydrophobicContact CD1-CD1 4.42Å; L262-I279 HydrophobicContact CD1-CD1 3.95Å; L262-I279 HydrophobicContact CD1-CG1 3.99Å; L262-I279 HydrophobicContact CD2-CD1 4.49Å; L262-I279 HydrophobicContact CD2-CG1 4.44Å
263A78.2Confident78.5Confident53 Ų5387.2 Ų87.244%0.43843%0.43SS..Hα-helixtrans-82.1-38.8170.800000111.6E259 F260 E261 K266 K267E259-A263 PolarHBondContact O-N 2.95Å; E259-A263 VanDerWaalsContact O-N 3.14Å; F260-A263 WeakPolarHBondContact O-CA 3.36Å; F260-A263 WeakPolarHBondContact O-CB 3.33Å; F260-A263 PolarHBondContact O-N 2.83Å; E261-A263 PolarHBondContact O-N 3.27Å; A263-K266 PolarHBondContact O-N 3.01Å; A263-K267 PolarHBondContact O-N 2.92Å; A263-K267 VanDerWaalsContact O-N 3.09Å
264E81.4Confident79.7Confident78 Ų7890.8 Ų90.836%0.36445%0.446SS..Hα-helixtrans-64.7-47.6177.2-164.5144.6-121.500111.5F260 E261 K266 K267 D268F260-E264 WeakPolarHBondContact CE1-OE2 3.25Å; F260-E264 PolarHBondContact O-N 3Å; E261-E264 PolarHBondContact O-N 3.05Å; E264-K266 PolarHBondContact O-N 3.26Å; E264-K266 VanDerWaalsContact O-N 3.12Å; E264-K267 WeakPolarHBondContact O-CB 3.43Å; E264-K267 PolarHBondContact O-N 3.44Å; E264-D268 PolarHBondContact O-N 2.66Å
265M84.3Confident80.6Confident39 Ų3989.6 Ų89.619%0.19244%0.441CS..Hα-helixtrans-56.3-32.1173.4-67.9-173.878.700113.7E261 G269 C270 E274 I275 F278E261-M265 WeakPolarHBondContact O-CG 3.28Å; E261-M265 PolarHBondContact O-N 3.15Å; M265-G269 PolarHBondContact O-N 2.95Å; M265-C270 HydrophobicContact CB-CB 4.18Å; M265-C270 HydrophobicContact CE-CB 4.11Å; M265-C270 VanDerWaalsContact O-CB 3.28Å; M265-C270 WeakPolarHBondContact O-CB 3.28Å; M265-C270 PolarHBondContact O-N 2.81Å; M265-C270 PolarHBondContact O-SG 2.87Å; M265-C270 VanDerWaalsContact O-SG 3.41Å; M265-E274 HydrophobicContact CE-CB 4.07Å; M265-I275 HydrophobicContact CB-CG1 4.18Å; M265-I275 HydrophobicContact CE-CG1 4.21Å; M265-F278 HydrophobicContact CE-CB 4.23Å; M265-F278 HydrophobicContact SD-CB 3.85Å; M265-F278 HydrophobicContact SD-CD1 3.89Å; M265-F278 HydrophobicContact SD-CD2 4.19Å; M265-F278 HydrophobicContact SD-CE1 4.5Å; M265-F278 HydrophobicContact SD-CG 3.71Å
266K81Confident81.3Confident125 Ų12588.9 Ų88.954%0.54344%0.442SS..Hα-helixtrans-76.6-32.9177.1-70166.7-165.5154.10112.3L262 A263 E264 I275L262-K266 WeakPolarHBondContact O-CD 3.47Å; L262-K266 WeakPolarHBondContact O-CE 3.28Å; L262-K266 WeakPolarHBondContact O-CG 3.23Å; L262-K266 PolarHBondContact O-NZ 2.77Å; A263-K266 PolarHBondContact O-N 3.01Å; E264-K266 PolarHBondContact O-N 3.26Å; E264-K266 VanDerWaalsContact O-N 3.12Å; K266-I275 HydrophobicContact CG-CD1 4.18Å
267K79.9Confident82.3Confident161 Ų16187.9 Ų87.970%0.744%0.437SS*.Hα-helixtrans-72.1-41.3178.2175.7-168167.6-153.20111A263 E264 G269A263-K267 PolarHBondContact O-N 2.92Å; A263-K267 VanDerWaalsContact O-N 3.09Å; E264-K267 WeakPolarHBondContact O-CB 3.43Å; E264-K267 PolarHBondContact O-N 3.44Å; K267-G269 PolarHBondContact O-N 2.86Å
268D81Confident82.9Confident114 Ų11485.5 Ų85.561%0.6143%0.427SS*.THydrogen-bonded Turntrans-80.6-2.9-179.5-66.1-3000113E264E264-D268 PolarHBondContact O-N 2.66Å
269G81.5Confident83.1Confident61 Ų6186.8 Ų86.863%0.62943%0.434SS*.THydrogen-bonded Turntrans79.723.4171.500000114.8M265 K267M265-G269 PolarHBondContact O-N 2.95Å; K267-G269 PolarHBondContact O-N 2.86Å
270C81.9Confident83.6Confident46 Ų4685.1 Ų85.131%0.31143%0.429SS..  trans-51.9147.8175.5-61.90000111.6M265 I275M265-C270 HydrophobicContact CB-CB 4.18Å; M265-C270 HydrophobicContact CE-CB 4.11Å; M265-C270 VanDerWaalsContact O-CB 3.28Å; M265-C270 WeakPolarHBondContact O-CB 3.28Å; M265-C270 PolarHBondContact O-N 2.81Å; M265-C270 PolarHBondContact O-SG 2.87Å; M265-C270 VanDerWaalsContact O-SG 3.41Å; C270-I275 HydrophobicContact CB-CD1 4.22Å; C270-I275 HydrophobicContact CB-CG1 3.95Å; C270-I275 WeakPolarHBondContact O-CD1 3.48Å
271S83.8Confident84.3Confident52 Ų5286.6 Ų86.636%0.36444%0.437SS..  trans-67.2156-178.177.50000111.6K273 E274 I275S271-K273 PolarHBondContact O-N 3.15Å; S271-K273 PolarHBondContact OG-N 3.41Å; S271-E274 WeakPolarHBondContact CA-OE2 3.22Å; S271-E274 WeakPolarHBondContact CB-OE2 3.25Å; S271-E274 PolarHBondContact N-OE2 3.18Å; S271-E274 PolarHBondContact O-N 3.23Å; S271-E274 PolarHBondContact OG-N 3.1Å; S271-E274 PolarHBondContact OG-OE2 2.63Å; S271-I275 WeakPolarHBondContact O-CG1 3.08Å; S271-I275 PolarHBondContact O-N 2.76Å
272K82.8Confident84.4Confident197 Ų19784.2 Ų84.286%0.85743%0.425SS*.THydrogen-bonded Turntrans-59.5-11.9171.7-65.9-173.7177.3-176.20113.8K276K272-K276 WeakPolarHBondContact O-CB 3.35Å
273K86.4Confident84.3Confident132 Ų13286.7 Ų86.757%0.57444%0.438SS*.THydrogen-bonded Turntrans-82.8-53.8173.9-175.2-176.8168.5-73.10110.1S271 I275 K276 E277S271-K273 PolarHBondContact O-N 3.15Å; S271-K273 PolarHBondContact OG-N 3.41Å; K273-I275 PolarHBondContact O-N 3.44Å; K273-K276 WeakPolarHBondContact O-CA 3.25Å; K273-K276 WeakPolarHBondContact O-CB 3.34Å; K273-K276 PolarHBondContact O-N 3.1Å; K273-E277 VanDerWaalsContact CE-OE1 3.28Å; K273-E277 WeakPolarHBondContact CE-OE1 3.49Å; K273-E277 IonicContact NZ-OE1 2.64Å; K273-E277 PolarHBondContact NZ-OE1 3.41Å; K273-E277 IonicContact NZ-OE2 3.86Å; K273-E277 PolarHBondContact NZ-OE2 2.86Å; K273-E277 WeakPolarHBondContact O-CG 3.21Å; K273-E277 PolarHBondContact O-N 3.4Å
274E83.5Confident84.5Confident97 Ų9786.9 Ų86.945%0.45344%0.439SS..Hα-helixtrans-61.1-44.6179.3-67.5143.1145.800111.5M265 S271 K276 E277 F278M265-E274 HydrophobicContact CE-CB 4.07Å; S271-E274 WeakPolarHBondContact CA-OE2 3.22Å; S271-E274 WeakPolarHBondContact CB-OE2 3.25Å; S271-E274 PolarHBondContact N-OE2 3.18Å; S271-E274 PolarHBondContact O-N 3.23Å; S271-E274 PolarHBondContact OG-N 3.1Å; S271-E274 PolarHBondContact OG-OE2 2.63Å; E274-K276 PolarHBondContact O-N 2.9Å; E274-E277 PolarHBondContact O-N 3.29Å; E274-E277 VanDerWaalsContact O-N 3.17Å; E274-F278 PolarHBondContact O-N 3.17Å
275I85.5Confident84.2Confident29 Ų2986 Ų8615%0.14944%0.442CS..Hα-helixtrans-59.2-34.8174.6-66.9172000111.3L262 M265 K266 C270 S271 K273 I279L262-I275 HydrophobicContact CD1-CG2 3.83Å; M265-I275 HydrophobicContact CB-CG1 4.18Å; M265-I275 HydrophobicContact CE-CG1 4.21Å; K266-I275 HydrophobicContact CG-CD1 4.18Å; C270-I275 HydrophobicContact CB-CD1 4.22Å; C270-I275 HydrophobicContact CB-CG1 3.95Å; C270-I275 WeakPolarHBondContact O-CD1 3.48Å; S271-I275 WeakPolarHBondContact O-CG1 3.08Å; S271-I275 PolarHBondContact O-N 2.76Å; K273-I275 PolarHBondContact O-N 3.44Å; I275-I279 HydrophobicContact CG2-CD1 4.01Å; I275-I279 VanDerWaalsContact O-CD1 3.29Å; I275-I279 WeakPolarHBondContact O-CD1 3.4Å; I275-I279 WeakPolarHBondContact O-CG1 3.23Å; I275-I279 PolarHBondContact O-N 3.26Å
276K87.9Confident83.4Confident115 Ų11586.6 Ų86.650%0.544%0.444SS..Hα-helixtrans-75.2-40.5176.5-170.2-174-176.5-53.40111.7K272 K273 E274 F278 I279 D280K272-K276 WeakPolarHBondContact O-CB 3.35Å; K273-K276 WeakPolarHBondContact O-CA 3.25Å; K273-K276 WeakPolarHBondContact O-CB 3.34Å; K273-K276 PolarHBondContact O-N 3.1Å; E274-K276 PolarHBondContact O-N 2.9Å; K276-F278 VanDerWaalsContact C-N 3.34Å; K276-F278 PolarHBondContact O-N 3.08Å; K276-I279 PolarHBondContact O-N 3.39Å; K276-D280 IonicContact NZ-OD1 2.9Å; K276-D280 PolarHBondContact NZ-OD1 2.92Å; K276-D280 IonicContact NZ-OD2 3.43Å; K276-D280 PolarHBondContact NZ-OD2 3.33Å; K276-D280 WeakPolarHBondContact O-CB 3.49Å; K276-D280 VanDerWaalsContact O-CG 3.27Å; K276-D280 PolarHBondContact O-N 3.02Å
277E89.4Confident82.4Confident90 Ų9087.4 Ų87.442%0.42145%0.448SS..Hα-helixtrans-62.7-41.8179.4-73.5169.8145.800110.8K273 E274 D280 E281K273-E277 VanDerWaalsContact CE-OE1 3.28Å; K273-E277 WeakPolarHBondContact CE-OE1 3.49Å; K273-E277 IonicContact NZ-OE1 2.64Å; K273-E277 PolarHBondContact NZ-OE1 3.41Å; K273-E277 IonicContact NZ-OE2 3.86Å; K273-E277 PolarHBondContact NZ-OE2 2.86Å; K273-E277 WeakPolarHBondContact O-CG 3.21Å; K273-E277 PolarHBondContact O-N 3.4Å; E274-E277 PolarHBondContact O-N 3.29Å; E274-E277 VanDerWaalsContact O-N 3.17Å; E277-D280 PolarHBondContact O-N 2.69Å; E277-E281 WeakPolarHBondContact O-CB 3.41Å; E277-E281 PolarHBondContact O-N 2.96Å
278F88.8Confident81.1Confident44 Ų4486.6 Ų86.619%0.19345%0.447CS..Hα-helixtrans-59.6-45.9171-179.7-103.5000113.3F258 E261 L262 M265 E274 K276 E281 Y282F258-F278 HydrophobicContact CD2-CD1 4.23Å; F258-F278 AromaticContact CD2-CE1 3.43Å; F258-F278 HydrophobicContact CD2-CE1 3.43Å; F258-F278 VanDerWaalsContact CD2-CE1 3.43Å; F258-F278 AromaticContact CD2-CZ 3.86Å; F258-F278 HydrophobicContact CD2-CZ 3.86Å; F258-F278 AromaticContact CE2-CD1 3.88Å; F258-F278 HydrophobicContact CE2-CD1 3.88Å; F258-F278 AromaticContact CE2-CE1 3.53Å; F258-F278 HydrophobicContact CE2-CE1 3.53Å; F258-F278 HydrophobicContact CE2-CZ 4.34Å; E261-F278 HydrophobicContact CB-CE1 4.24Å; E261-F278 HydrophobicContact CB-CE2 4.41Å; E261-F278 HydrophobicContact CB-CZ 3.64Å; E261-F278 WeakPolarHBondContact OE2-CE2 3.49Å; E261-F278 VanDerWaalsContact OE2-CZ 3.29Å; E261-F278 WeakPolarHBondContact OE2-CZ 3.5Å; L262-F278 HydrophobicContact CB-CE1 4.14Å; L262-F278 HydrophobicContact CD1-CD1 4.42Å; M265-F278 HydrophobicContact CE-CB 4.23Å; M265-F278 HydrophobicContact SD-CB 3.85Å; M265-F278 HydrophobicContact SD-CD1 3.89Å; M265-F278 HydrophobicContact SD-CD2 4.19Å; M265-F278 HydrophobicContact SD-CE1 4.5Å; M265-F278 HydrophobicContact SD-CG 3.71Å; E274-F278 PolarHBondContact O-N 3.17Å; K276-F278 VanDerWaalsContact C-N 3.34Å; K276-F278 PolarHBondContact O-N 3.08Å; F278-E281 PolarHBondContact O-N 3.5Å; F278-Y282 PolarHBondContact O-N 3.24Å
279I87.6Confident79.6Confident54 Ų5487 Ų8728%0.27744%0.443SS..Hα-helixtrans-63.8-43.3176.2-67.9165.5000111.1F258 L262 I275 K276 E281 N283F258-I279 HydrophobicContact CE2-CG1 4.37Å; F258-I279 HydrophobicContact CZ-CG1 4.08Å; L262-I279 HydrophobicContact CD1-CD1 3.95Å; L262-I279 HydrophobicContact CD1-CG1 3.99Å; L262-I279 HydrophobicContact CD2-CD1 4.49Å; L262-I279 HydrophobicContact CD2-CG1 4.44Å; I275-I279 HydrophobicContact CG2-CD1 4.01Å; I275-I279 VanDerWaalsContact O-CD1 3.29Å; I275-I279 WeakPolarHBondContact O-CD1 3.4Å; I275-I279 WeakPolarHBondContact O-CG1 3.23Å; I275-I279 PolarHBondContact O-N 3.26Å; K276-I279 PolarHBondContact O-N 3.39Å; I279-E281 VanDerWaalsContact C-N 3.33Å; I279-N283 WeakPolarHBondContact CG2-ND2 3.43Å; I279-N283 WeakPolarHBondContact O-CB 3.41Å; I279-N283 PolarHBondContact O-N 3.42Å; I279-N283 PolarHBondContact O-ND2 3.05Å
280D87.7Confident78Confident77 Ų7789.5 Ų89.541%0.41245%0.445SS..Hα-helixtrans-64.9-37.5179.1-71.7-18.2000111.2K276 E277 N283 A284K276-D280 IonicContact NZ-OD1 2.9Å; K276-D280 PolarHBondContact NZ-OD1 2.92Å; K276-D280 IonicContact NZ-OD2 3.43Å; K276-D280 PolarHBondContact NZ-OD2 3.33Å; K276-D280 WeakPolarHBondContact O-CB 3.49Å; K276-D280 VanDerWaalsContact O-CG 3.27Å; K276-D280 PolarHBondContact O-N 3.02Å; E277-D280 PolarHBondContact O-N 2.69Å; D280-N283 PolarHBondContact O-N 2.93Å; D280-A284 WeakPolarHBondContact O-CB 3.3Å; D280-A284 PolarHBondContact O-N 3.5Å
281E88.3Confident76.1Confident142 Ų14294.6 Ų94.666%0.66447%0.47SS*.Hα-helixtrans-67.9-47.2177.8-177.1164-15200112.4E277 F278 I279 N283 A284 S285E277-E281 WeakPolarHBondContact O-CB 3.41Å; E277-E281 PolarHBondContact O-N 2.96Å; F278-E281 PolarHBondContact O-N 3.5Å; I279-E281 VanDerWaalsContact C-N 3.33Å; E281-N283 VanDerWaalsContact C-N 3.31Å; E281-N283 PolarHBondContact O-N 2.81Å; E281-A284 WeakPolarHBondContact O-CB 3.17Å; E281-A284 PolarHBondContact O-N 3.2Å; E281-A284 VanDerWaalsContact O-N 3.07Å; E281-S285 PolarHBondContact O-N 2.98Å
282Y85.8Confident74Confident42 Ų4297.9 Ų97.917%0.16548%0.483CS..Hα-helixtrans-58.4-42.8172.5179.1-91.3000111.9F258 F278 A284 S285 H286F258-Y282 HydrophobicContact CB-CD2 3.68Å; F258-Y282 HydrophobicContact CB-CE2 3.38Å; F258-Y282 HydrophobicContact CB-CG 4.37Å; F258-Y282 HydrophobicContact CD1-CD1 4.14Å; F258-Y282 HydrophobicContact CD1-CD2 4.46Å; F258-Y282 HydrophobicContact CD1-CE1 4Å; F258-Y282 HydrophobicContact CD1-CE2 4.31Å; F258-Y282 HydrophobicContact CD1-CG 4.38Å; F258-Y282 AromaticContact CD2-CD1 3.89Å; F258-Y282 HydrophobicContact CD2-CD1 3.89Å; F258-Y282 AromaticContact CD2-CD2 3.42Å; F258-Y282 HydrophobicContact CD2-CD2 3.42Å; F258-Y282 VanDerWaalsContact CD2-CD2 3.42Å; F258-Y282 HydrophobicContact CD2-CE1 4.42Å; F258-Y282 AromaticContact CD2-CE2 3.99Å; F258-Y282 HydrophobicContact CD2-CE2 3.99Å; F258-Y282 AromaticContact CD2-CG 3.35Å; F258-Y282 HydrophobicContact CD2-CG 3.35Å; F258-Y282 HydrophobicContact CE1-CD1 4.14Å; F258-Y282 HydrophobicContact CE1-CE1 4.27Å; F258-Y282 AromaticContact CE2-CD1 3.88Å; F258-Y282 HydrophobicContact CE2-CD1 3.88Å; F258-Y282 HydrophobicContact CE2-CD2 4.15Å; F258-Y282 AromaticContact CE2-CG 3.58Å; F258-Y282 HydrophobicContact CE2-CG 3.58Å; F258-Y282 HydrophobicContact CG-CD1 4.01Å; F258-Y282 AromaticContact CG-CD2 3.6Å; F258-Y282 HydrophobicContact CG-CD2 3.6Å; F258-Y282 HydrophobicContact CG-CE1 4.07Å; F258-Y282 AromaticContact CG-CE2 3.64Å; F258-Y282 HydrophobicContact CG-CE2 3.64Å; F258-Y282 AromaticContact CG-CG 3.78Å; F258-Y282 HydrophobicContact CG-CG 3.78Å; F258-Y282 AromaticContact CG-CZ 3.88Å; F258-Y282 AromaticContact CZ-CD1 3.99Å; F258-Y282 HydrophobicContact CZ-CD1 3.99Å; F258-Y282 HydrophobicContact CZ-CG 4.18Å; F278-Y282 PolarHBondContact O-N 3.24Å; Y282-A284 VanDerWaalsContact C-N 3.28Å; Y282-A284 PolarHBondContact O-N 3.24Å; Y282-S285 PolarHBondContact O-N 2.96Å; Y282-S285 PolarHBondContact O-OG 3.12Å; Y282-S285 VanDerWaalsContact O-OG 3.06Å; Y282-H286 AromaticContact CE2-CE1 3.52Å; Y282-H286 AromaticContact CE2-ND1 3.8Å; Y282-H286 AromaticContact CZ-CE1 3.4Å; Y282-H286 VanDerWaalsContact CZ-CE1 3.4Å; Y282-H286 AromaticContact CZ-ND1 3.7Å; Y282-H286 AromaticContact CZ-NE2 3.64Å; Y282-H286 WeakPolarHBondContact O-CB 3.46Å; Y282-H286 PolarHBondContact O-N 3.4Å; Y282-H286 PolarHBondContact OH-CE1 2.99Å; Y282-H286 PolarHBondContact OH-NE2 3.06Å
283N83.5Confident72.2Confident73 Ų7397.2 Ų97.239%0.3948%0.483SS..Hα-helixtrans-68.4-25.4176.4-82.3-82.1000113.2I279 D280 E281 K287I279-N283 WeakPolarHBondContact CG2-ND2 3.43Å; I279-N283 WeakPolarHBondContact O-CB 3.41Å; I279-N283 PolarHBondContact O-N 3.42Å; I279-N283 PolarHBondContact O-ND2 3.05Å; D280-N283 PolarHBondContact O-N 2.93Å; E281-N283 VanDerWaalsContact C-N 3.31Å; E281-N283 PolarHBondContact O-N 2.81Å; N283-K287 WeakPolarHBondContact O-CB 3.42Å; N283-K287 VanDerWaalsContact O-CG 3.27Å; N283-K287 WeakPolarHBondContact O-CG 3.29Å; N283-K287 PolarHBondContact O-N 3.4Å
284A81.8Confident70.1Confident56 Ų5696.1 Ų96.146%0.46349%0.489SS..Hα-helixtrans-74.3-48.6174.800000111.1D280 E281 Y282 H286 K287 Q288D280-A284 WeakPolarHBondContact O-CB 3.3Å; D280-A284 PolarHBondContact O-N 3.5Å; E281-A284 WeakPolarHBondContact O-CB 3.17Å; E281-A284 PolarHBondContact O-N 3.2Å; E281-A284 VanDerWaalsContact O-N 3.07Å; Y282-A284 VanDerWaalsContact C-N 3.28Å; Y282-A284 PolarHBondContact O-N 3.24Å; A284-H286 VanDerWaalsContact C-N 3.35Å; A284-H286 PolarHBondContact O-N 2.8Å; A284-K287 PolarHBondContact O-N 3.25Å; A284-Q288 PolarHBondContact O-N 3.41Å; A284-Q288 VanDerWaalsContact O-N 3.09Å
285S75.8Confident68.3Low59 Ų59101.2 Ų101.241%0.41351%0.506SS..Hα-helixtrans-62.2-41.7178.4690000112E281 Y282 Q288 K289E281-S285 PolarHBondContact O-N 2.98Å; Y282-S285 PolarHBondContact O-N 2.96Å; Y282-S285 PolarHBondContact O-OG 3.12Å; Y282-S285 VanDerWaalsContact O-OG 3.06Å; S285-Q288 PolarHBondContact O-N 3.15Å; S285-K289 PolarHBondContact O-N 3.41Å
286H67.1Low66.7Low52 Ų52103 Ų10324%0.24152%0.515CS..Hα-helixtrans-68.7-34176.8-91.157.3000113.9E254 Y282 A284 V290E254-H286 IonicContact OE2-CE1 2.83Å; E254-H286 PolarHBondContact OE2-CE1 3.16Å; E254-H286 VanDerWaalsContact OE2-CE1 3.25Å; E254-H286 IonicContact OE2-NE2 2.74Å; Y282-H286 AromaticContact CE2-CE1 3.52Å; Y282-H286 AromaticContact CE2-ND1 3.8Å; Y282-H286 AromaticContact CZ-CE1 3.4Å; Y282-H286 VanDerWaalsContact CZ-CE1 3.4Å; Y282-H286 AromaticContact CZ-ND1 3.7Å; Y282-H286 AromaticContact CZ-NE2 3.64Å; Y282-H286 WeakPolarHBondContact O-CB 3.46Å; Y282-H286 PolarHBondContact O-N 3.4Å; Y282-H286 PolarHBondContact OH-CE1 2.99Å; Y282-H286 PolarHBondContact OH-NE2 3.06Å; A284-H286 VanDerWaalsContact C-N 3.35Å; A284-H286 PolarHBondContact O-N 2.8Å; H286-V290 WeakPolarHBondContact O-CG2 3.47Å
287K60.2Low65.3Low142 Ų14298.7 Ų98.762%0.61750%0.499SS*.Hα-helixtrans-68.8-37.2174.1-81.3176.4179.3177.30112.3N283 A284 K289 V290N283-K287 WeakPolarHBondContact O-CB 3.42Å; N283-K287 VanDerWaalsContact O-CG 3.27Å; N283-K287 WeakPolarHBondContact O-CG 3.29Å; N283-K287 PolarHBondContact O-N 3.4Å; A284-K287 PolarHBondContact O-N 3.25Å; K287-K289 VanDerWaalsContact C-N 3.25Å; K287-K289 PolarHBondContact O-N 3.3Å; K287-V290 PolarHBondContact O-N 3.27Å; K287-V290 VanDerWaalsContact O-N 3.09Å
288Q52.5Low64.3Low145 Ų14598.3 Ų98.368%0.67850%0.5SS*.Hα-helixtrans-65.8-30.1179.5-161.9165.7-7.300112.1A284 S285 V290A284-Q288 PolarHBondContact O-N 3.41Å; A284-Q288 VanDerWaalsContact O-N 3.09Å; S285-Q288 PolarHBondContact O-N 3.15Å; Q288-V290 PolarHBondContact O-N 3.11Å
289K50.8Low63.2Low123 Ų123102.8 Ų102.854%0.53552%0.521SS..Hα-helixtrans-69.8-4.2171.7-69.5-176178.1-174.10115.5E254 S285 K287E254-K289 IonicContact OE1-NZ 3.7Å; E254-K289 PolarHBondContact OE1-NZ 2.86Å; E254-K289 IonicContact OE2-NZ 3.98Å; E254-K289 PolarHBondContact OE2-NZ 3.07Å; S285-K289 PolarHBondContact O-N 3.41Å; K287-K289 VanDerWaalsContact C-N 3.25Å; K287-K289 PolarHBondContact O-N 3.3Å
290V46.8Very low62.1Low112 Ų112104.3 Ų104.368%0.67953%0.53SS*.Hα-helixtrans-113.7-20.9-169.4172.40000114.2H286 K287 Q288H286-V290 WeakPolarHBondContact O-CG2 3.47Å; K287-V290 PolarHBondContact O-N 3.27Å; K287-V290 VanDerWaalsContact O-N 3.09Å; Q288-V290 PolarHBondContact O-N 3.11Å
291D41.8Very low61.5Low153 Ų153106.1 Ų106.182%0.81853%0.531SS*.Hα-helixtrans-99.5-8.8178.9-75.4-39.6000113.8
292D40.1Very low60.6Low122 Ų122103.9 Ų103.965%0.65252%0.523SS*.SBendtrans-81.6144.7169.1-75.3-37.4000110.3
293E44.6Very low59.8Low183 Ų183107.3 Ų107.386%0.85554%0.54SS*.PPolyproline II helixtrans-58.6142.2174.1-75.3-172.7142.900110.5Y295E293-Y295 PolarHBondContact O-N 2.92Å; E293-Y295 VanDerWaalsContact O-N 3.15Å
294P42.7Very low59.2Low108 Ų108109 Ų10970%0.70155%0.546SS*.PPolyproline II helixtrans-58.6125-176.724-33.9000109.9I296P294-I296 PolarHBondContact O-N 3.21Å
295Y46.3Very low58.9Low205 Ų205110.5 Ų110.580%0.80454%0.543SS*.  trans-69.183171.4-175.9-93.3000109.1E293 S297E293-Y295 PolarHBondContact O-N 2.92Å; E293-Y295 VanDerWaalsContact O-N 3.15Å; Y295-S297 PolarHBondContact O-N 3.22Å
296I50.8Low58.6Low67 Ų67113 Ų11334%0.34455%0.55SS..  trans-67120.8162.7-63.7176.4000105.5P294 D300 R301P294-I296 PolarHBondContact O-N 3.21Å; I296-D300 HydrophobicContact CG2-CB 3.5Å; I296-R301 HydrophobicContact CG2-CB 3.83Å
297S59Low58.6Low23 Ų23115.8 Ų115.816%0.16156%0.563CS.*  trans-61.3163.2177.365.10000111.1Y295 E299 D300 R301Y295-S297 PolarHBondContact O-N 3.22Å; S297-E299 WeakPolarHBondContact CB-OE2 3.29Å; S297-E299 PolarHBondContact O-N 3.12Å; S297-D300 WeakPolarHBondContact CB-OD2 3.35Å; S297-D300 PolarHBondContact N-OD2 3.44Å; S297-D300 PolarHBondContact O-N 3.04Å; S297-D300 WeakPolarHBondContact OG-CB 3.29Å; S297-D300 PolarHBondContact OG-N 3.25Å; S297-D300 PolarHBondContact OG-OD2 2.78Å; S297-R301 WeakPolarHBondContact O-CB 3.42Å; S297-R301 PolarHBondContact O-N 3.5Å
298D67.5Low59.1Low82 Ų82112 Ų11244%0.43955%0.554SS.*Hα-helixtrans-60.2-33.1174.7-85.6-39.3000109.9R301 I302D298-R301 IonicContact OD1-CZ 2.66Å; D298-R301 IonicContact OD1-NH1 3.93Å; D298-R301 PolarHBondContact OD1-NH1 2.98Å; D298-R301 IonicContact OD1-NH2 2.65Å; D298-R301 PolarHBondContact OD1-NH2 3.36Å; D298-I302 WeakPolarHBondContact O-CB 3.18Å; D298-I302 WeakPolarHBondContact O-CD1 3.46Å; D298-I302 WeakPolarHBondContact O-CG1 3.35Å; D298-I302 PolarHBondContact O-N 3.46Å
299E66.1Low60Low138 Ų138109.5 Ų109.565%0.64554%0.541SS*.Hα-helixtrans-65-51173.6-6272-163.400112.7S297 R301 I302 H303S297-E299 WeakPolarHBondContact CB-OE2 3.29Å; S297-E299 PolarHBondContact O-N 3.12Å; E299-R301 VanDerWaalsContact C-N 3.3Å; E299-R301 PolarHBondContact O-N 3.15Å; E299-I302 CarbonylContact O-C 3.52Å; E299-I302 WeakPolarHBondContact O-CB 3.44Å; E299-I302 PolarHBondContact O-N 3.32Å; E299-H303 PolarHBondContact O-N 2.93Å
300D66.1Low60.3Low87 Ų87108.1 Ų108.147%0.46554%0.539SS..Hα-helixtrans-63.2-37.1176.5-68.3-58.3000111.4I296 S297 I302 H303 Q304I296-D300 HydrophobicContact CG2-CB 3.5Å; S297-D300 WeakPolarHBondContact CB-OD2 3.35Å; S297-D300 PolarHBondContact N-OD2 3.44Å; S297-D300 PolarHBondContact O-N 3.04Å; S297-D300 WeakPolarHBondContact OG-CB 3.29Å; S297-D300 PolarHBondContact OG-N 3.25Å; S297-D300 PolarHBondContact OG-OD2 2.78Å; D300-I302 VanDerWaalsContact C-N 3.34Å; D300-H303 PolarHBondContact O-N 3.32Å; D300-Q304 WeakPolarHBondContact O-CG 3.38Å; D300-Q304 PolarHBondContact O-N 3.45Å
301R73.2Confident60.8Low115 Ų115107.9 Ų107.943%0.43454%0.538SS..Hα-helixtrans-67.6-38.2176.2-166.2-178.467.6-111.6-10.4110.5I296 S297 D298 E299 E305I296-R301 HydrophobicContact CG2-CB 3.83Å; S297-R301 WeakPolarHBondContact O-CB 3.42Å; S297-R301 PolarHBondContact O-N 3.5Å; D298-R301 IonicContact OD1-CZ 2.66Å; D298-R301 IonicContact OD1-NH1 3.93Å; D298-R301 PolarHBondContact OD1-NH1 2.98Å; D298-R301 IonicContact OD1-NH2 2.65Å; D298-R301 PolarHBondContact OD1-NH2 3.36Å; E299-R301 VanDerWaalsContact C-N 3.3Å; E299-R301 PolarHBondContact O-N 3.15Å; R301-E305 VanDerWaalsContact O-CB 3.26Å; R301-E305 WeakPolarHBondContact O-CB 3.28Å; R301-E305 PolarHBondContact O-N 2.89Å
302I71.2Confident61.5Low94 Ų94108.8 Ų108.848%0.48254%0.538SS..Hα-helixtrans-63.2-42171-73.7162.8000110.6D298 E299 D300 E305 M306D298-I302 WeakPolarHBondContact O-CB 3.18Å; D298-I302 WeakPolarHBondContact O-CD1 3.46Å; D298-I302 WeakPolarHBondContact O-CG1 3.35Å; D298-I302 PolarHBondContact O-N 3.46Å; E299-I302 CarbonylContact O-C 3.52Å; E299-I302 WeakPolarHBondContact O-CB 3.44Å; E299-I302 PolarHBondContact O-N 3.32Å; D300-I302 VanDerWaalsContact C-N 3.34Å; I302-E305 CarbonylContact O-C 3.54Å; I302-E305 PolarHBondContact O-N 3.28Å; I302-M306 HydrophobicContact CG2-CG 4.19Å; I302-M306 WeakPolarHBondContact O-CB 3.42Å; I302-M306 WeakPolarHBondContact O-CG 3.04Å; I302-M306 PolarHBondContact O-N 3.39Å
303H68.3Low62Low115 Ų115109.9 Ų109.953%0.53254%0.536SS..Hα-helixtrans-62.7-47.1178.2-153.1-70.9000111.9E299 D300 E305 M306 E307E299-H303 PolarHBondContact O-N 2.93Å; D300-H303 PolarHBondContact O-N 3.32Å; H303-E305 VanDerWaalsContact C-N 3.34Å; H303-E305 PolarHBondContact O-N 2.8Å; H303-M306 WeakPolarHBondContact O-CB 3.24Å; H303-M306 PolarHBondContact O-N 2.78Å; H303-M306 VanDerWaalsContact O-N 3.09Å; H303-E307 IonicContact CE1-OE1 2.75Å; H303-E307 PolarHBondContact CE1-OE1 3.45Å; H303-E307 IonicContact ND1-OE1 2.95Å; H303-E307 PolarHBondContact ND1-OE1 2.97Å; H303-E307 PolarHBondContact O-N 2.81Å
304Q71.5Confident61.6Low107 Ų107107.1 Ų107.150%0.553%0.532SS..Hα-helixtrans-65.4-35.7174.4-68.3-179.116.600112.4D300 M306 S308D300-Q304 WeakPolarHBondContact O-CG 3.38Å; D300-Q304 PolarHBondContact O-N 3.45Å; Q304-M306 VanDerWaalsContact C-N 3.3Å; Q304-M306 PolarHBondContact O-N 2.83Å; Q304-S308 WeakPolarHBondContact O-CB 3.29Å; Q304-S308 PolarHBondContact O-N 3.12Å; Q304-S308 PolarHBondContact O-OG 2.94Å
305E75.7Confident61.4Low89 Ų89106.5 Ų106.542%0.41653%0.531SS..Hα-helixtrans-67.1-27.6171.2-92.9-162.8-140.400112.9R301 I302 H303 S308 K309R301-E305 VanDerWaalsContact O-CB 3.26Å; R301-E305 WeakPolarHBondContact O-CB 3.28Å; R301-E305 PolarHBondContact O-N 2.89Å; I302-E305 CarbonylContact O-C 3.54Å; I302-E305 PolarHBondContact O-N 3.28Å; H303-E305 VanDerWaalsContact C-N 3.34Å; H303-E305 PolarHBondContact O-N 2.8Å; E305-S308 WeakPolarHBondContact CA-OG 3.2Å; E305-S308 PolarHBondContact O-OG 3.45Å; E305-K309 WeakPolarHBondContact O-CB 3.37Å; E305-K309 WeakPolarHBondContact O-CD 3.39Å; E305-K309 WeakPolarHBondContact O-CE 3.44Å; E305-K309 WeakPolarHBondContact O-CG 3.37Å; E305-K309 PolarHBondContact O-N 2.71Å; E305-K309 WeakPolarHBondContact OE2-CE 3.25Å; E305-K309 IonicContact OE2-NZ 2.65Å; E305-K309 PolarHBondContact OE2-NZ 2.86Å
306M67.6Low60.8Low112 Ų112106.4 Ų106.455%0.55254%0.537SS*.Hα-helixtrans-77.1-51.8175.8-65.1-111.4-75.400110.3I302 H303 Q304 S308 K309 D310I302-M306 HydrophobicContact CG2-CG 4.19Å; I302-M306 WeakPolarHBondContact O-CB 3.42Å; I302-M306 WeakPolarHBondContact O-CG 3.04Å; I302-M306 PolarHBondContact O-N 3.39Å; H303-M306 WeakPolarHBondContact O-CB 3.24Å; H303-M306 PolarHBondContact O-N 2.78Å; H303-M306 VanDerWaalsContact O-N 3.09Å; Q304-M306 VanDerWaalsContact C-N 3.3Å; Q304-M306 PolarHBondContact O-N 2.83Å; M306-S308 VanDerWaalsContact C-N 3.34Å; M306-S308 PolarHBondContact O-N 2.96Å; M306-K309 PolarHBondContact O-N 3.28Å; M306-K309 VanDerWaalsContact O-N 3.15Å; M306-D310 PolarHBondContact O-N 2.88Å
307E68.9Low59.9Low110 Ų110108.7 Ų108.751%0.51456%0.558SS.*Hα-helixtrans-55.8-46177.2-72.7176.2-171.200112.3H303 D310 V311H303-E307 IonicContact CE1-OE1 2.75Å; H303-E307 PolarHBondContact CE1-OE1 3.45Å; H303-E307 IonicContact ND1-OE1 2.95Å; H303-E307 PolarHBondContact ND1-OE1 2.97Å; H303-E307 PolarHBondContact O-N 2.81Å; E307-D310 PolarHBondContact O-N 3.39Å; E307-V311 WeakPolarHBondContact O-CG2 3.43Å; E307-V311 PolarHBondContact O-N 2.82Å
308S70.8Confident58.6Low62 Ų62113.4 Ų113.443%0.43459%0.591SS.*Hα-helixtrans-65.8-38.7177.853.30000112.8Q304 E305 M306 E312Q304-S308 WeakPolarHBondContact O-CB 3.29Å; Q304-S308 PolarHBondContact O-N 3.12Å; Q304-S308 PolarHBondContact O-OG 2.94Å; E305-S308 WeakPolarHBondContact CA-OG 3.2Å; E305-S308 PolarHBondContact O-OG 3.45Å; M306-S308 VanDerWaalsContact C-N 3.34Å; M306-S308 PolarHBondContact O-N 2.96Å; S308-E312 WeakPolarHBondContact O-CG 3.47Å; S308-E312 PolarHBondContact O-N 2.83Å
309K69.6Low57.3Low93 Ų93115.4 Ų115.440%0.40461%0.606SS.*Hα-helixtrans-68.4-33.3175.2-74166.6-154.9158.60112.8E305 M306 K313E305-K309 WeakPolarHBondContact O-CB 3.37Å; E305-K309 WeakPolarHBondContact O-CD 3.39Å; E305-K309 WeakPolarHBondContact O-CE 3.44Å; E305-K309 WeakPolarHBondContact O-CG 3.37Å; E305-K309 PolarHBondContact O-N 2.71Å; E305-K309 WeakPolarHBondContact OE2-CE 3.25Å; E305-K309 IonicContact OE2-NZ 2.65Å; E305-K309 PolarHBondContact OE2-NZ 2.86Å; M306-K309 PolarHBondContact O-N 3.28Å; M306-K309 VanDerWaalsContact O-N 3.15Å; K309-K313 VanDerWaalsContact O-CB 3.24Å; K309-K313 WeakPolarHBondContact O-CB 3.31Å; K309-K313 VanDerWaalsContact O-CG 3.25Å; K309-K313 WeakPolarHBondContact O-CG 3.27Å; K309-K313 PolarHBondContact O-N 3.06Å
310D58.3Low55.7Low93 Ų93118.5 Ų118.550%0.49762%0.62SS.*Hα-helixtrans-78.5-32.5178.7-73.1-14.8000111.8M306 E307 K313M306-D310 PolarHBondContact O-N 2.88Å; E307-D310 PolarHBondContact O-N 3.39Å; D310-K313 PolarHBondContact O-N 3.18Å; D310-K313 IonicContact OD1-NZ 2.65Å
311V56.7Low54.3Low107 Ų107118 Ų11865%0.64864%0.636SS**Hα-helixtrans-61.3-47.1165.7170.40000111E307 K313 T314E307-V311 WeakPolarHBondContact O-CG2 3.43Å; E307-V311 PolarHBondContact O-N 2.82Å; V311-K313 PolarHBondContact O-N 2.82Å; V311-T314 PolarHBondContact O-OG1 3.48Å
312E56.5Low52.6Low173 Ų173121.7 Ų121.781%0.80866%0.658SS**Hα-helixtrans-71.9-21.1179.6-72.9-165.6159.800114.6S308 T314S308-E312 WeakPolarHBondContact O-CG 3.47Å; S308-E312 PolarHBondContact O-N 2.83Å; E312-T314 VanDerWaalsContact C-N 3.33Å; E312-T314 PolarHBondContact O-N 2.93Å
313K50.8Low51Low145 Ų145126.4 Ų126.463%0.6368%0.675SS**THydrogen-bonded Turntrans-80.8-0.7-179.5-91.2176.7-174.8164.90115.6K309 D310 V311 S315K309-K313 VanDerWaalsContact O-CB 3.24Å; K309-K313 WeakPolarHBondContact O-CB 3.31Å; K309-K313 VanDerWaalsContact O-CG 3.25Å; K309-K313 WeakPolarHBondContact O-CG 3.27Å; K309-K313 PolarHBondContact O-N 3.06Å; D310-K313 PolarHBondContact O-N 3.18Å; D310-K313 IonicContact OD1-NZ 2.65Å; V311-K313 PolarHBondContact O-N 2.82Å; K313-S315 PolarHBondContact O-N 2.91Å
314T37Very low49.7Very low124 Ų124128.4 Ų128.476%0.76169%0.69SS**  trans-73.746.8-177.2510000114.1V311 E312V311-T314 PolarHBondContact O-OG1 3.48Å; E312-T314 VanDerWaalsContact C-N 3.33Å; E312-T314 PolarHBondContact O-N 2.93Å
315S37Very low48.3Very low96 Ų96127.4 Ų127.467%0.67170%0.7SS**  trans-82.8129.8171.963.10000111.6K313 C317K313-S315 PolarHBondContact O-N 2.91Å; S315-C317 PolarHBondContact O-N 3.45Å
316E34.5Very low46.9Very low203 Ų203128.2 Ų128.295%0.94971%0.713SS**  trans-44114.1-178.6-58.3174.3161.900114
317C31.4Very low46Very low114 Ų114132.3 Ų132.377%0.7773%0.731SS**  trans-141.5106.5169.3-152.20000111.4S315 V319S315-C317 PolarHBondContact O-N 3.45Å; C317-V319 PolarHBondContact O-N 3.14Å
318S32.1Very low45.1Very low123 Ų123131.8 Ų131.886%0.8673%0.73SS**  trans-77.5119.4179.157.60000111.5
319V40.5Very low45.1Very low124 Ų124133.1 Ų133.175%0.75273%0.732SS**  trans-121.3124.2168.2-177.20000108.4C317 G321C317-V319 PolarHBondContact O-N 3.14Å; V319-G321 PolarHBondContact O-N 2.88Å
320E31.7Very low44.7Very low203 Ų203137 Ų13795%0.94975%0.746SS**THydrogen-bonded Turntrans-76.4118.4-179.1-61.5-179.612900110.5
321G36.1Very low45.4Very low77 Ų77138.9 Ų138.979%0.79476%0.756SS**THydrogen-bonded Turntrans144.4-1.3162.500000118.9V319V319-G321 PolarHBondContact O-N 2.88Å
322E39.4Very low46.2Very low191 Ų191138.6 Ų138.689%0.89375%0.746SS**  trans-74158-180-72-168.2130.500113.9
323F37.2Very low46.7Very low194 Ų194135.2 Ų135.285%0.85173%0.733SS**  trans-104105-168.1-174.7-84.9000108.8A325F323-A325 PolarHBondContact O-N 3.31Å
324D40.1Very low47.6Very low157 Ų157134 Ų13484%0.8473%0.729SS**  trans-51.8113.4-179.9-68.7-44.3000110.8
325A42.7Very low49.5Very low85 Ų85135.2 Ų135.270%0.70273%0.726SS**  trans-63.6132.717300000108.8F323 E327F323-A325 PolarHBondContact O-N 3.31Å; A325-E327 PolarHBondContact O-N 2.95Å
326P46.1Very low51.3Low106 Ų106135.7 Ų135.769%0.68872%0.718SS**  trans-64.1122.4-175.925.6-33.8000110.4I328P326-I328 WeakPolarHBondContact O-CG1 3.41Å; P326-I328 PolarHBondContact O-N 2.89Å
327E47.7Very low52.7Low199 Ų199128.9 Ų128.993%0.9369%0.693SS**  trans-61.2107.4179.4-165.2171-142.100109.9A325 D329A325-E327 PolarHBondContact O-N 2.95Å; E327-D329 PolarHBondContact O-N 3.48Å
328I51.3Low54.7Low99 Ų99126 Ų12651%0.50867%0.668SS.*  trans-81.6106-175.5-56.6-176.2000109.3P326 Y330P326-I328 WeakPolarHBondContact O-CG1 3.41Å; P326-I328 PolarHBondContact O-N 2.89Å; I328-Y330 WeakPolarHBondContact O-CD2 3.11Å; I328-Y330 PolarHBondContact O-N 2.89Å
329D71.2Confident56.9Low89 Ų89123 Ų12348%0.47665%0.65SS.*  trans-67.894.8168.6-177.5-14.9000110.1E327 D331 K332 L333E327-D329 PolarHBondContact O-N 3.48Å; D329-D331 VanDerWaalsContact C-N 3.31Å; D329-D331 PolarHBondContact O-N 3.32Å; D329-D331 PolarHBondContact OD1-N 2.72Å; D329-K332 HydrophobicContact CB-CB 3.93Å; D329-K332 PolarHBondContact O-N 3.12Å; D329-K332 WeakPolarHBondContact OD1-CB 3.35Å; D329-K332 PolarHBondContact OD1-N 2.9Å; D329-K332 VanDerWaalsContact OD2-CB 3.29Å; D329-K332 WeakPolarHBondContact OD2-CB 3.37Å; D329-L333 WeakPolarHBondContact O-CB 3.27Å; D329-L333 PolarHBondContact O-N 3.29Å
330Y60.2Low58.1Low175 Ų175123.4 Ų123.469%0.68664%0.642SS**Hα-helixtrans-64.4-32.1180-72.6-83.9000113.1I328 L333 H334I328-Y330 WeakPolarHBondContact O-CD2 3.11Å; I328-Y330 PolarHBondContact O-N 2.89Å; Y330-L333 PolarHBondContact O-N 3.07Å; Y330-H334 WeakPolarHBondContact O-CB 3.24Å; Y330-H334 PolarHBondContact O-N 2.99Å
331D73.2Confident59.6Low133 Ų133119.1 Ų119.171%0.71162%0.621SS**Hα-helixtrans-68.8-45178.2-74.6-24.5000109.9D329 L333 H334 E335D329-D331 VanDerWaalsContact C-N 3.31Å; D329-D331 PolarHBondContact O-N 3.32Å; D329-D331 PolarHBondContact OD1-N 2.72Å; D331-L333 PolarHBondContact O-N 3.03Å; D331-H334 WeakPolarHBondContact O-CB 3.47Å; D331-H334 PolarHBondContact O-N 3.45Å; D331-H334 VanDerWaalsContact O-N 3.16Å; D331-E335 PolarHBondContact O-N 3.07Å
332K74.1Confident61.4Low101 Ų101121 Ų12144%0.43961%0.607SS.*Hα-helixtrans-64.1-38.1173-178.5178173.6-61.30112.5D329 H334 E335 E336D329-K332 HydrophobicContact CB-CB 3.93Å; D329-K332 PolarHBondContact O-N 3.12Å; D329-K332 WeakPolarHBondContact OD1-CB 3.35Å; D329-K332 PolarHBondContact OD1-N 2.9Å; D329-K332 VanDerWaalsContact OD2-CB 3.29Å; D329-K332 WeakPolarHBondContact OD2-CB 3.37Å; K332-H334 VanDerWaalsContact C-N 3.28Å; K332-H334 PolarHBondContact O-N 3.27Å; K332-E335 PolarHBondContact O-N 3.39Å; K332-E336 WeakPolarHBondContact CE-OE1 3.14Å; K332-E336 IonicContact NZ-OE1 2.69Å; K332-E336 PolarHBondContact NZ-OE1 2.94Å; K332-E336 IonicContact NZ-OE2 2.62Å; K332-E336 WeakPolarHBondContact O-CB 3.4Å; K332-E336 WeakPolarHBondContact O-CG 3.49Å; K332-E336 PolarHBondContact O-N 2.81Å
333L66.2Low63Low102 Ų102115.5 Ų115.553%0.53458%0.581SS.*Hα-helixtrans-63.4-36.6173.4-158.187.6000111.3D329 Y330 D331 S337D329-L333 WeakPolarHBondContact O-CB 3.27Å; D329-L333 PolarHBondContact O-N 3.29Å; Y330-L333 PolarHBondContact O-N 3.07Å; D331-L333 PolarHBondContact O-N 3.03Å; L333-S337 VanDerWaalsContact O-CB 3.32Å; L333-S337 WeakPolarHBondContact O-CB 3.4Å; L333-S337 PolarHBondContact O-N 3.28Å
334H70.6Confident64.2Low120 Ų120110.7 Ų110.756%0.55656%0.561SS**Hα-helixtrans-69.2-43.7174.7-16894.4000111.9Y330 D331 K332 E336 S337 E338Y330-H334 WeakPolarHBondContact O-CB 3.24Å; Y330-H334 PolarHBondContact O-N 2.99Å; D331-H334 WeakPolarHBondContact O-CB 3.47Å; D331-H334 PolarHBondContact O-N 3.45Å; D331-H334 VanDerWaalsContact O-N 3.16Å; K332-H334 VanDerWaalsContact C-N 3.28Å; K332-H334 PolarHBondContact O-N 3.27Å; H334-E336 PolarHBondContact O-N 3.2Å; H334-S337 PolarHBondContact O-N 2.57Å; H334-E338 WeakPolarHBondContact O-CB 3.4Å; H334-E338 PolarHBondContact O-N 3.01Å
335E76.7Confident65.3Low149 Ų149108.6 Ų108.670%0.69655%0.55SS*.Hα-helixtrans-60.1-43.8173.6-74-157.2144.200112.1D331 K332 E338 A339D331-E335 PolarHBondContact O-N 3.07Å; K332-E335 PolarHBondContact O-N 3.39Å; E335-E338 PolarHBondContact O-N 2.77Å; E335-A339 VanDerWaalsContact O-CB 3.24Å; E335-A339 WeakPolarHBondContact O-CB 3.48Å; E335-A339 PolarHBondContact O-N 3.44Å
336E74.1Confident66.5Low105 Ų105109.3 Ų109.349%0.49154%0.537SS..Hα-helixtrans-65.6-37.9177.1-74.7175.8-173.300111.9K332 H334 A339 F340K332-E336 WeakPolarHBondContact CE-OE1 3.14Å; K332-E336 IonicContact NZ-OE1 2.69Å; K332-E336 PolarHBondContact NZ-OE1 2.94Å; K332-E336 IonicContact NZ-OE2 2.62Å; K332-E336 WeakPolarHBondContact O-CB 3.4Å; K332-E336 WeakPolarHBondContact O-CG 3.49Å; K332-E336 PolarHBondContact O-N 2.81Å; H334-E336 PolarHBondContact O-N 3.2Å; E336-A339 PolarHBondContact O-N 3.47Å; E336-F340 WeakPolarHBondContact O-CB 3.38Å; E336-F340 PolarHBondContact O-N 3.06Å
337S64.3Low67.3Low60 Ų60107.3 Ų107.342%0.4252%0.522SS..Hα-helixtrans-65.8-44.8173.4-174.60000112.6L333 H334 F340 K341L333-S337 VanDerWaalsContact O-CB 3.32Å; L333-S337 WeakPolarHBondContact O-CB 3.4Å; L333-S337 PolarHBondContact O-N 3.28Å; H334-S337 PolarHBondContact O-N 2.57Å; S337-F340 PolarHBondContact O-N 3.1Å; S337-K341 WeakPolarHBondContact O-CG 3.39Å; S337-K341 PolarHBondContact O-N 3.27Å
338E73.8Confident67.5Low55 Ų55100.3 Ų100.326%0.25750%0.499SS..Hα-helixtrans-66.3-37.4175.1-89.6-64.3120.600112.6H334 E335 K341 K342H334-E338 WeakPolarHBondContact O-CB 3.4Å; H334-E338 PolarHBondContact O-N 3.01Å; E335-E338 PolarHBondContact O-N 2.77Å; E338-K341 WeakPolarHBondContact OE1-CD 3.44Å; E338-K341 WeakPolarHBondContact OE1-CE 3.35Å; E338-K341 IonicContact OE1-NZ 3.66Å; E338-K341 PolarHBondContact OE1-NZ 3.36Å; E338-K342 WeakPolarHBondContact O-CB 3.18Å; E338-K342 VanDerWaalsContact O-CG 3.29Å; E338-K342 WeakPolarHBondContact O-CG 3.23Å; E338-K342 PolarHBondContact O-N 2.77Å; E338-K342 IonicContact OE2-NZ 2.68Å; E338-K342 PolarHBondContact OE2-NZ 3.17Å
339A76.7Confident67.8Low59 Ų59102.9 Ų102.949%0.48851%0.506SS..Hα-helixtrans-63.8-43.1172.300000111.2E335 E336 K342 E343E335-A339 VanDerWaalsContact O-CB 3.24Å; E335-A339 WeakPolarHBondContact O-CB 3.48Å; E335-A339 PolarHBondContact O-N 3.44Å; E336-A339 PolarHBondContact O-N 3.47Å; A339-K342 PolarHBondContact O-N 3.39Å; A339-E343 PolarHBondContact O-N 3.05Å
340F66.1Low67.1Low132 Ų132104.7 Ų104.758%0.57951%0.506SS*.Hα-helixtrans-62.8-47.3175.3-176.2-100000111.8E336 S337 K342 E343 Q344E336-F340 WeakPolarHBondContact O-CB 3.38Å; E336-F340 PolarHBondContact O-N 3.06Å; S337-F340 PolarHBondContact O-N 3.1Å; F340-K342 VanDerWaalsContact C-N 3.32Å; F340-K342 PolarHBondContact O-N 3.43Å; F340-E343 PolarHBondContact O-N 3.45Å; F340-Q344 HydrophobicContact CD1-CG 4.02Å; F340-Q344 HydrophobicContact CE1-CG 3.72Å; F340-Q344 HydrophobicContact CE2-CG 4.35Å; F340-Q344 HydrophobicContact CG-CG 4.46Å; F340-Q344 HydrophobicContact CZ-CG 3.92Å; F340-Q344 WeakPolarHBondContact O-CB 3.46Å; F340-Q344 WeakPolarHBondContact O-CG 3.32Å; F340-Q344 PolarHBondContact O-N 3.16Å
341K64.1Low66.7Low114 Ų11499.9 Ų99.950%0.49649%0.489SS..Hα-helixtrans-55.4-46.2172.9-71.9-176.4-151.2157.70111.6S337 E338 E343 Q344 L345S337-K341 WeakPolarHBondContact O-CG 3.39Å; S337-K341 PolarHBondContact O-N 3.27Å; E338-K341 WeakPolarHBondContact OE1-CD 3.44Å; E338-K341 WeakPolarHBondContact OE1-CE 3.35Å; E338-K341 IonicContact OE1-NZ 3.66Å; E338-K341 PolarHBondContact OE1-NZ 3.36Å; K341-E343 PolarHBondContact O-N 3.2Å; K341-Q344 PolarHBondContact O-N 2.97Å; K341-L345 WeakPolarHBondContact O-CB 3.3Å; K341-L345 PolarHBondContact O-N 2.96Å
342K73.4Confident65.6Low115 Ų115101.8 Ų101.850%0.549%0.486SS..Hα-helixtrans-64.4-37.9178.9-76170.6175.9103.40112.3E338 A339 F340 K346E338-K342 WeakPolarHBondContact O-CB 3.18Å; E338-K342 VanDerWaalsContact O-CG 3.29Å; E338-K342 WeakPolarHBondContact O-CG 3.23Å; E338-K342 PolarHBondContact O-N 2.77Å; E338-K342 IonicContact OE2-NZ 2.68Å; E338-K342 PolarHBondContact OE2-NZ 3.17Å; A339-K342 PolarHBondContact O-N 3.39Å; F340-K342 VanDerWaalsContact C-N 3.32Å; F340-K342 PolarHBondContact O-N 3.43Å; K342-K346 WeakPolarHBondContact O-CG 3.49Å; K342-K346 PolarHBondContact O-N 3.22Å
343E72.4Confident64.5Low76 Ų76100.8 Ų100.836%0.35548%0.482SS..Hα-helixtrans-73.8-38.3175.8-160.860.4-146.300112A339 F340 K341 L345 K346 V347 R350A339-E343 PolarHBondContact O-N 3.05Å; F340-E343 PolarHBondContact O-N 3.45Å; K341-E343 PolarHBondContact O-N 3.2Å; E343-L345 VanDerWaalsContact C-N 3.31Å; E343-L345 PolarHBondContact O-N 3.26Å; E343-K346 WeakPolarHBondContact O-CB 3.42Å; E343-K346 PolarHBondContact O-N 3.03Å; E343-K346 WeakPolarHBondContact OE2-CD 3.48Å; E343-K346 WeakPolarHBondContact OE2-CE 3.29Å; E343-K346 IonicContact OE2-NZ 3.94Å; E343-K346 PolarHBondContact OE2-NZ 2.85Å; E343-V347 WeakPolarHBondContact O-CG2 3.35Å; E343-V347 PolarHBondContact O-N 3.41Å; E343-R350 IonicContact OE1-CZ 3.39Å; E343-R350 IonicContact OE1-NH1 2.76Å; E343-R350 PolarHBondContact OE1-NH1 2.75Å; E343-R350 IonicContact OE1-NH2 3.76Å
344Q63.9Low63.5Low94 Ų94104.4 Ų104.444%0.43949%0.489SS..Hα-helixtrans-60.1-40.4170.6-69.9-63.2-13.800111.7F340 K341 V347 A348F340-Q344 HydrophobicContact CD1-CG 4.02Å; F340-Q344 HydrophobicContact CE1-CG 3.72Å; F340-Q344 HydrophobicContact CE2-CG 4.35Å; F340-Q344 HydrophobicContact CG-CG 4.46Å; F340-Q344 HydrophobicContact CZ-CG 3.92Å; F340-Q344 WeakPolarHBondContact O-CB 3.46Å; F340-Q344 WeakPolarHBondContact O-CG 3.32Å; F340-Q344 PolarHBondContact O-N 3.16Å; K341-Q344 PolarHBondContact O-N 2.97Å; Q344-V347 PolarHBondContact O-N 3.22Å; Q344-A348 WeakPolarHBondContact O-CB 3.25Å; Q344-A348 PolarHBondContact O-N 2.99Å
345L63Low62.4Low113 Ų113101.5 Ų101.559%0.59249%0.486SS*.Hα-helixtrans-64.5-39.9174.9-156.280.1000111.8K341 E343 A348 K349K341-L345 WeakPolarHBondContact O-CB 3.3Å; K341-L345 PolarHBondContact O-N 2.96Å; E343-L345 VanDerWaalsContact C-N 3.31Å; E343-L345 PolarHBondContact O-N 3.26Å; L345-A348 PolarHBondContact O-N 3.39Å; L345-K349 WeakPolarHBondContact O-CG 3.36Å; L345-K349 PolarHBondContact O-N 3.37Å
346K67.2Low60.8Low99 Ų99100.4 Ų100.443%0.4348%0.476SS..Hα-helixtrans-64-40.8171.5-70.8176-138.5158.50112K342 E343 K349 R350K342-K346 WeakPolarHBondContact O-CG 3.49Å; K342-K346 PolarHBondContact O-N 3.22Å; E343-K346 WeakPolarHBondContact O-CB 3.42Å; E343-K346 PolarHBondContact O-N 3.03Å; E343-K346 WeakPolarHBondContact OE2-CD 3.48Å; E343-K346 WeakPolarHBondContact OE2-CE 3.29Å; E343-K346 IonicContact OE2-NZ 3.94Å; E343-K346 PolarHBondContact OE2-NZ 2.85Å; K346-K349 PolarHBondContact O-N 2.84Å; K346-R350 WeakPolarHBondContact O-CB 3.49Å; K346-R350 WeakPolarHBondContact O-CD 3.22Å; K346-R350 WeakPolarHBondContact O-CG 3.5Å; K346-R350 PolarHBondContact O-N 2.89Å
347V62.9Low59.7Low64 Ų6499 Ų9939%0.38847%0.472SS..Hα-helixtrans-63.5-43.9175.8169.70000110.4E343 Q344 R350 K351E343-V347 WeakPolarHBondContact O-CG2 3.35Å; E343-V347 PolarHBondContact O-N 3.41Å; Q344-V347 PolarHBondContact O-N 3.22Å; V347-R350 PolarHBondContact O-N 3.27Å; V347-K351 VanDerWaalsContact O-CB 3.31Å; V347-K351 WeakPolarHBondContact O-CB 3.36Å; V347-K351 PolarHBondContact O-N 3.38Å
348A52Low58.9Low53 Ų5397.8 Ų97.844%0.43847%0.465SS..Hα-helixtrans-60.5-48.817400000112Q344 L345 R350 K351 W352Q344-A348 WeakPolarHBondContact O-CB 3.25Å; Q344-A348 PolarHBondContact O-N 2.99Å; L345-A348 PolarHBondContact O-N 3.39Å; A348-R350 PolarHBondContact O-N 3.35Å; A348-K351 PolarHBondContact O-N 3.43Å; A348-K351 VanDerWaalsContact O-N 3.14Å; A348-W352 WeakPolarHBondContact O-CB 3.41Å; A348-W352 PolarHBondContact O-N 2.9Å
349K58.2Low57.4Low153 Ų15399.9 Ų99.967%0.66548%0.478SS*.Hα-helixtrans-58.7-42.7174.4-74.7-167.1174-160.90112.3L345 K346 K351 W352 K353L345-K349 WeakPolarHBondContact O-CG 3.36Å; L345-K349 PolarHBondContact O-N 3.37Å; K346-K349 PolarHBondContact O-N 2.84Å; K349-K351 PolarHBondContact O-N 2.86Å; K349-W352 PolarHBondContact O-N 2.97Å; K349-K353 WeakPolarHBondContact O-CB 3.43Å; K349-K353 PolarHBondContact O-N 3.32Å
350R56.5Low55.6Low126 Ų126100.1 Ų100.148%0.47548%0.476SS..Hα-helixtrans-63.7-37.4174.4-72.5163.7177152.7-1.6112.6E343 K346 V347 A348 R354E343-R350 IonicContact OE1-CZ 3.39Å; E343-R350 IonicContact OE1-NH1 2.76Å; E343-R350 PolarHBondContact OE1-NH1 2.75Å; E343-R350 IonicContact OE1-NH2 3.76Å; K346-R350 WeakPolarHBondContact O-CB 3.49Å; K346-R350 WeakPolarHBondContact O-CD 3.22Å; K346-R350 WeakPolarHBondContact O-CG 3.5Å; K346-R350 PolarHBondContact O-N 2.89Å; V347-R350 PolarHBondContact O-N 3.27Å; A348-R350 PolarHBondContact O-N 3.35Å; R350-R354 VanDerWaalsContact O-CG 3.29Å; R350-R354 WeakPolarHBondContact O-CG 3.27Å; R350-R354 PolarHBondContact O-N 3.01Å; R350-R354 VanDerWaalsContact O-N 3.15Å
351K51.2Low54.6Low74 Ų74102.5 Ų102.532%0.32249%0.489SS..Hα-helixtrans-71.3-40.3178.7-158.3176.5-168.1-179.90111V347 A348 K349 A355 E461V347-K351 VanDerWaalsContact O-CB 3.31Å; V347-K351 WeakPolarHBondContact O-CB 3.36Å; V347-K351 PolarHBondContact O-N 3.38Å; A348-K351 PolarHBondContact O-N 3.43Å; A348-K351 VanDerWaalsContact O-N 3.14Å; K349-K351 PolarHBondContact O-N 2.86Å; K351-A355 PolarHBondContact O-N 2.99Å; K351-E461 WeakPolarHBondContact CE-OE1 3.31Å; K351-E461 IonicContact NZ-OE1 3.34Å; K351-E461 PolarHBondContact NZ-OE1 3.25Å; K351-E461 IonicContact NZ-OE2 2.68Å; K351-E461 PolarHBondContact NZ-OE2 3.17Å
352W49.3Very low53.6Low173 Ų173104.3 Ų104.366%0.65550%0.497SS*.Hα-helixtrans-64.3-49.8173.1-166.291.4000111.5A348 K349 R354 A355 Y356A348-W352 WeakPolarHBondContact O-CB 3.41Å; A348-W352 PolarHBondContact O-N 2.9Å; K349-W352 PolarHBondContact O-N 2.97Å; W352-R354 PolarHBondContact O-N 3.16Å; W352-A355 WeakPolarHBondContact O-CB 3.41Å; W352-A355 PolarHBondContact O-N 2.76Å; W352-Y356 AromaticContact CH2-CD2 3.78Å; W352-Y356 HydrophobicContact CH2-CD2 3.78Å; W352-Y356 HydrophobicContact CH2-CE2 4.07Å; W352-Y356 HydrophobicContact CH2-CG 4.29Å; W352-Y356 HydrophobicContact CZ2-CD2 4.18Å; W352-Y356 HydrophobicContact CZ3-CD2 4.11Å; W352-Y356 HydrophobicContact CZ3-CG 4.15Å; W352-Y356 PolarHBondContact O-N 3.42Å
353K51.8Low51.8Low80 Ų80109.3 Ų109.335%0.34851%0.513SS..Hα-helixtrans-56.9-48177.7-168.2151.5-171.5159.90111.9K349 A355 Y356 D357 E376 C378K349-K353 WeakPolarHBondContact O-CB 3.43Å; K349-K353 PolarHBondContact O-N 3.32Å; K353-A355 VanDerWaalsContact C-N 3.26Å; K353-A355 PolarHBondContact O-N 3.09Å; K353-Y356 WeakPolarHBondContact O-CB 3.16Å; K353-Y356 PolarHBondContact O-N 3.28Å; K353-D357 WeakPolarHBondContact CG-OD2 3.48Å; K353-D357 WeakPolarHBondContact O-CB 3.5Å; K353-D357 PolarHBondContact O-N 3.18Å; K353-D357 VanDerWaalsContact O-OD2 3.12Å; K353-E376 IonicContact NZ-OE2 2.66Å; K353-C378 PolarHBondContact NZ-SG 3.5Å
354R45.7Very low49.9Very low179 Ų179115.1 Ų115.168%0.67554%0.54SS*.Hα-helixtrans-59-31.3173.9-71.5173.3-170166.43.5114.7R350 W352 A358R350-R354 VanDerWaalsContact O-CG 3.29Å; R350-R354 WeakPolarHBondContact O-CG 3.27Å; R350-R354 PolarHBondContact O-N 3.01Å; R350-R354 VanDerWaalsContact O-N 3.15Å; W352-R354 PolarHBondContact O-N 3.16Å; R354-A358 WeakPolarHBondContact O-CB 3.44Å; R354-A358 PolarHBondContact O-N 2.73Å
355A47.8Very low48.5Very low59 Ų59114.2 Ų114.249%0.48856%0.556SS.*Hα-helixtrans-76.9-37.1175.900000111.5K351 W352 K353K351-A355 PolarHBondContact O-N 2.99Å; W352-A355 WeakPolarHBondContact O-CB 3.41Å; W352-A355 PolarHBondContact O-N 2.76Å; K353-A355 VanDerWaalsContact C-N 3.26Å; K353-A355 PolarHBondContact O-N 3.09Å
356Y43Very low47.2Very low125 Ų125119.1 Ų119.149%0.4957%0.567SS.*Hα-helixtrans-69.4-47.8176.7-162.2-95.5000111.7W352 K353 A358 D359 S360W352-Y356 AromaticContact CH2-CD2 3.78Å; W352-Y356 HydrophobicContact CH2-CD2 3.78Å; W352-Y356 HydrophobicContact CH2-CE2 4.07Å; W352-Y356 HydrophobicContact CH2-CG 4.29Å; W352-Y356 HydrophobicContact CZ2-CD2 4.18Å; W352-Y356 HydrophobicContact CZ3-CD2 4.11Å; W352-Y356 HydrophobicContact CZ3-CG 4.15Å; W352-Y356 PolarHBondContact O-N 3.42Å; K353-Y356 WeakPolarHBondContact O-CB 3.16Å; K353-Y356 PolarHBondContact O-N 3.28Å; Y356-A358 VanDerWaalsContact C-N 3.26Å; Y356-A358 PolarHBondContact O-N 2.77Å; Y356-D359 CarbonylContact O-C 3.58Å; Y356-D359 PolarHBondContact O-N 3.41Å; Y356-S360 WeakPolarHBondContact O-CB 3.33Å; Y356-S360 PolarHBondContact O-N 3.05Å
357D49.9Very low45.6Very low76 Ų76123.5 Ų123.541%0.40659%0.589SS.*Hα-helixtrans-56.3-40.6176.1-60.3-27.4000111.3K353 D359 S360 E361K353-D357 WeakPolarHBondContact CG-OD2 3.48Å; K353-D357 WeakPolarHBondContact O-CB 3.5Å; K353-D357 PolarHBondContact O-N 3.18Å; K353-D357 VanDerWaalsContact O-OD2 3.12Å; D357-D359 PolarHBondContact O-N 3.16Å; D357-S360 WeakPolarHBondContact O-CB 3.47Å; D357-S360 PolarHBondContact O-N 3.24Å; D357-E361 PolarHBondContact O-N 3.01Å
358A47.3Very low44.4Very low34 Ų34127.9 Ų127.928%0.28160%0.603SS.*Hα-helixtrans-73-7.6178.800000115.2R354 Y356R354-A358 WeakPolarHBondContact O-CB 3.44Å; R354-A358 PolarHBondContact O-N 2.73Å; Y356-A358 VanDerWaalsContact C-N 3.26Å; Y356-A358 PolarHBondContact O-N 2.77Å
359D43.6Very low43.5Very low99 Ų99132.3 Ų132.353%0.52961%0.614SS.*Hα-helixtrans-109.2-21.2167.2-114.412.3000112Y356 D357 E361 K362Y356-D359 CarbonylContact O-C 3.58Å; Y356-D359 PolarHBondContact O-N 3.41Å; D357-D359 PolarHBondContact O-N 3.16Å; D359-E361 VanDerWaalsContact C-N 3.3Å; D359-E361 PolarHBondContact O-N 2.69Å; D359-K362 WeakPolarHBondContact O-CB 3.41Å; D359-K362 PolarHBondContact O-N 2.79Å; D359-K362 VanDerWaalsContact O-N 3.08Å; D359-K362 IonicContact OD1-NZ 2.65Å; D359-K362 PolarHBondContact OD1-NZ 3.11Å
360S38.4Very low42.8Very low64 Ų64127.5 Ų127.545%0.44860%0.596SS.*Hα-helixtrans-61.1-35.7171.9-166.90000112.1Y356 D357 K362 R363Y356-S360 WeakPolarHBondContact O-CB 3.33Å; Y356-S360 PolarHBondContact O-N 3.05Å; D357-S360 WeakPolarHBondContact O-CB 3.47Å; D357-S360 PolarHBondContact O-N 3.24Å; S360-K362 PolarHBondContact O-N 3.26Å; S360-R363 PolarHBondContact O-N 3.25Å
361E44.6Very low41.8Very low182 Ų182130.4 Ų130.485%0.8562%0.615SS**THydrogen-bonded Turntrans-57.5-6171.1-69.8-170152.900114.5D357 D359D357-E361 PolarHBondContact O-N 3.01Å; D359-E361 VanDerWaalsContact C-N 3.3Å; D359-E361 PolarHBondContact O-N 2.69Å
362K44Very low41.2Very low153 Ų153135 Ų13567%0.66564%0.635SS**THydrogen-bonded Turntrans-111.42.7175.7-55.9171.8-165.1148.90114.4D359 S360D359-K362 WeakPolarHBondContact O-CB 3.41Å; D359-K362 PolarHBondContact O-N 2.79Å; D359-K362 VanDerWaalsContact O-N 3.08Å; D359-K362 IonicContact OD1-NZ 2.65Å; D359-K362 PolarHBondContact OD1-NZ 3.11Å; S360-K362 PolarHBondContact O-N 3.26Å
363R34.5Very low40.7Very low219 Ų219129.1 Ų129.183%0.82663%0.629SS**SBendtrans-132.999.5-178.3-80.9-176167.1167.2-2.3112.3S360 G365S360-R363 PolarHBondContact O-N 3.25Å; R363-G365 PolarHBondContact O-N 3.48Å
364E32.8Very low39.9Very low198 Ų198131.3 Ų131.393%0.92564%0.64SS**  trans-62.3132174.8-61.9-179.3130.500112.5
365G34.6Very low39.5Very low76 Ų76129.3 Ų129.378%0.78464%0.643SS**SBendtrans7156.7142.800000117.8R363R363-G365 PolarHBondContact O-N 3.48Å
366R36.8Very low38.9Very low216 Ų216133.1 Ų133.182%0.81565%0.651SS**  trans-145.7124.2157.1-120.2176.1-73.1-169-2.3112F368R366-F368 HydrophobicContact CB-CD2 4.37Å; R366-F368 HydrophobicContact CB-CE2 4.08Å
367E33.3Very low38.3Very low190 Ų190136.5 Ų136.589%0.88867%0.671SS**  trans-68.1151.7165.3-68.2148.8164.200109.2
368F36.4Very low37.3Very low156 Ų156136.7 Ų136.768%0.68468%0.677SS**  trans-144.4118.2-178.6-93.2-88.4000109.8R366R366-F368 HydrophobicContact CB-CD2 4.37Å; R366-F368 HydrophobicContact CB-CE2 4.08Å
369E32.9Very low36.3Very low146 Ų146144.2 Ų144.268%0.68271%0.706SS**  trans-60.3147.2164.4-64.3168.1132.700109.7
370N43.8Very low35.5Very low53 Ų53145.7 Ų145.728%0.28372%0.719SS.*  trans-77.9176.517173.615.4000111.7F372 G373 E374N370-F372 PolarHBondContact O-N 3.36Å; N370-F372 WeakPolarHBondContact OD1-CA 3.44Å; N370-F372 WeakPolarHBondContact OD1-CB 3.28Å; N370-F372 PolarHBondContact OD1-N 2.91Å; N370-G373 PolarHBondContact O-N 3.08Å; N370-G373 PolarHBondContact OD1-N 3.39Å; N370-G373 VanDerWaalsContact OD1-N 3.07Å; N370-E374 PolarHBondContact N-O 3.1Å; N370-E374 PolarHBondContact OD1-N 3.39Å
371E36.8Very low34.9Very low187 Ų187150.6 Ų150.687%0.87474%0.74SS**THydrogen-bonded Turntrans-65.82.5179.664.9-159.8139.200115.2
372F38.9Very low33.9Very low169 Ų169150.9 Ų150.974%0.74174%0.741SS**THydrogen-bonded Turntrans-118.1-0.1173.2-67.6-85.4000113.8N370N370-F372 PolarHBondContact O-N 3.36Å; N370-F372 WeakPolarHBondContact OD1-CA 3.44Å; N370-F372 WeakPolarHBondContact OD1-CB 3.28Å; N370-F372 PolarHBondContact OD1-N 2.91Å
373G38.2Very low33Very low50 Ų50151.3 Ų151.352%0.51575%0.75SS.*SBendtrans77.429-178.700000114.5N370N370-G373 PolarHBondContact O-N 3.08Å; N370-G373 PolarHBondContact OD1-N 3.39Å; N370-G373 VanDerWaalsContact OD1-N 3.07Å
374E35.1Very low32.6Very low126 Ų126146.5 Ų146.559%0.58975%0.747SS**  trans-110.4137.9177.2-55.8-178.313900112.3N370 E376N370-E374 PolarHBondContact N-O 3.1Å; N370-E374 PolarHBondContact OD1-N 3.39Å; E374-E376 PolarHBondContact O-N 3.25Å
375D36Very low32.3Very low137 Ų137145 Ų14573%0.73375%0.745SS**  trans-81.9102.5172.6-70.4-48.3000111.1E377D375-E377 PolarHBondContact O-N 3.1Å
376E35.2Very low32.1Very low140 Ų140151 Ų15165%0.65475%0.75SS**  trans-79.498.1174.9-83.2-15816100112.9K353 E374 C378K353-E376 IonicContact NZ-OE2 2.66Å; E374-E376 PolarHBondContact O-N 3.25Å; E376-C378 PolarHBondContact O-N 3.17Å; E376-C378 PolarHBondContact O-SG 2.77Å
377E30.4Very low31.7Very low196 Ų196149.4 Ų149.492%0.91675%0.752SS**  trans-58.1121.8164.5-72.7-164.9144.600111.3D375 E379D375-E377 PolarHBondContact O-N 3.1Å; E377-E379 PolarHBondContact O-N 2.89Å
378C29.1Very low31.6Very low80 Ų80146.8 Ų146.854%0.54175%0.748SS.*  trans-95.995.3-175.8-71.10000112.9K353 E376 T380K353-C378 PolarHBondContact NZ-SG 3.5Å; E376-C378 PolarHBondContact O-N 3.17Å; E376-C378 PolarHBondContact O-SG 2.77Å; C378-T380 PolarHBondContact O-N 2.85Å
379E27.8Very low31.3Very low191 Ų191145.6 Ų145.689%0.89375%0.753SS**  trans-59126.6169.8-74.7-160.6130.400112.1E377E377-E379 PolarHBondContact O-N 2.89Å
380T26.1Very low31.1Very low130 Ų130143.6 Ų143.680%0.79875%0.753SS**  trans-97.6105.3-178.241.90000112.3C378C378-T380 PolarHBondContact O-N 2.85Å
381L24.8Very low30.5Very low167 Ų167147.5 Ų147.587%0.87478%0.779SS**  trans-91.6107.8172.9-78.3169.7000111.7
382Q23.7Very low30.1Very low188 Ų188148.2 Ų148.288%0.87978%0.779SS**PPolyproline II helixtrans-71.4136.1175-64.7-179.3-5.400111.7
383L25Very low29.7Very low162 Ų162151.4 Ų151.485%0.84879%0.786SS**PPolyproline II helixtrans-100.7155.3170.3-72.5174000111.5
384P26.5Very low29.3Very low118 Ų118159.1 Ų159.177%0.76681%0.805SS**PPolyproline II helixtrans-74.7142.6-163-17.832.9000114.5K386P384-K386 PolarHBondContact O-N 2.9Å
385N27.5Very low29.2Very low166 Ų166159.1 Ų159.189%0.88882%0.816SS**PPolyproline II helixtrans-55.6122171.5-76.5-39.2000111.6
386K29.7Very low29Very low204 Ų204156.2 Ų156.289%0.88782%0.818SS**  trans-91.6113.1170.9-157.9173.9-173.8-179.90108.4P384 V388P384-K386 PolarHBondContact O-N 2.9Å; K386-V388 PolarHBondContact O-N 2.83Å
387E29.1Very low29Very low182 Ų182161.6 Ų161.685%0.8583%0.833SS**  trans-62.1134.1-172.4-64.1-173.213400112.6V389E387-V389 PolarHBondContact O-N 3.37Å
388V30.7Very low29.3Very low135 Ų135157.8 Ų157.882%0.81883%0.825SS**  trans-77.1111.1178.51790000109.7K386 P390K386-V388 PolarHBondContact O-N 2.83Å; V388-P390 WeakPolarHBondContact O-CD 3.46Å
389V29Very low29.7Very low130 Ų130163.3 Ų163.379%0.78884%0.84SS**  trans-82114.2172.9-178.80000109.5E387 V391E387-V389 PolarHBondContact O-N 3.37Å; V389-V391 PolarHBondContact O-N 3.01Å
390P29.4Very low30Very low105 Ų105163.6 Ų163.668%0.68284%0.838SS**  trans-83.7118.4-170.931.4-33.8000112.9V388 K392V388-P390 WeakPolarHBondContact O-CD 3.46Å; P390-K392 PolarHBondContact O-N 3.07Å
391V30.7Very low30.5Very low135 Ų135162.3 Ų162.382%0.81884%0.835SS**  trans-68.6118.2174.1178.90000110.7V389 R393V389-V391 PolarHBondContact O-N 3.01Å; V391-R393 PolarHBondContact O-N 2.95Å; V391-R393 VanDerWaalsContact O-N 3.11Å
392K28.5Very low31Very low202 Ų202159 Ų15988%0.87883%0.825SS**  trans-77.294-175.8-68.7176.9-179.9170.10112.9P390P390-K392 PolarHBondContact O-N 3.07Å
393R31.8Very low31.6Very low235 Ų235157 Ų15789%0.88782%0.82SS**  trans-83.9139.3157.7-72.9-175.7170.3179.4-2.5110.3V391V391-R393 PolarHBondContact O-N 2.95Å; V391-R393 VanDerWaalsContact O-N 3.11Å
394K29.2Very low32.1Very low212 Ų212155.8 Ų155.892%0.92281%0.814SS**  trans-84132.3-172.5-61.3172-177.3169.20112.3
395P32.3Very low32.6Very low126 Ų126159.8 Ų159.882%0.81882%0.815SS**  trans-111.2153.9155.124.8-7.9000112
396G33Very low33Very low76 Ų76157 Ų15778%0.78480%0.804SS**  trans-103.2133.6-170.700000116
397R34.4Very low33.2Very low253 Ų253151.7 Ų151.796%0.95580%0.799SS**  trans54.6148160.5-101.8-170.1159.1-176-5.2120.8
398P37Very low33.5Very low116 Ų116146.8 Ų146.875%0.75378%0.784SS**  trans-124.1171.6-161.844.3-32.1000116.9
399K37Very low33.9Very low196 Ų196148.5 Ų148.585%0.85278%0.781SS**  trans-142.7122.6149.4-83.1165.7-175.9171.60106.4
400K35.2Very low34.3Very low198 Ų198151.6 Ų151.686%0.86178%0.778SS**  54.413696.8-73.1-166.5177-1700114.5
401S35.6Very low34.7Very low103 Ų103152.5 Ų152.572%0.7278%0.777SS**  cis174.2157.3-5.843.50000108.2
402S35.4Very low35Very low96 Ų96151.3 Ų151.367%0.67177%0.771SS**  cis-177.4-178.7-7.747.20000109.1
403L36.6Very low35.4Very low147 Ų147146.5 Ų146.577%0.7776%0.759SS**  trans78.4134.6176-57146000114.2
404D35.4Very low35.7Very low136 Ų136143.7 Ų143.773%0.72775%0.753SS**  cis99117.329.6-75.3-48.7000113.8
405Y36.4Very low36.1Very low203 Ų203142.8 Ų142.880%0.79675%0.749SS**  -179109.4116.2-118-108000115.8
406T36.1Very low36.3Very low106 Ų106148.3 Ų148.365%0.6575%0.753SS**  trans34.7151.9137.275.50000125.6
407A34Very low36.2Very low94 Ų94148 Ų14878%0.77775%0.75SS**  trans82.4153.8136.900000119.6
408S36.6Very low36.1Very low78 Ų78148.2 Ų148.255%0.54575%0.751SS.*  cis-176.9143.8-9.3129.30000112.7
409K38.9Very low36.2Very low171 Ų171151.9 Ų151.974%0.74376%0.755SS**  trans71.3156.6157.1-67.1165.5-159.9150.90116.2
410R36.5Very low36.4Very low195 Ų195147.3 Ų147.374%0.73675%0.745SS**  cis-165155-0.5-124.2177.9-173.7152.5-0.8112.8
411D38.4Very low36.2Very low124 Ų124143.2 Ų143.266%0.66374%0.741SS**  trans49.7153.9137-72.4-31.4000121.7
412T37.6Very low36Very low110 Ų110142.8 Ų142.868%0.67574%0.738SS**  cis-160.5132.2115.10000114.5
413T36.6Very low35.7Very low102 Ų102144 Ų14463%0.62674%0.742SS**  trans72.7122132.759.70000127.6
414K36.5Very low35.3Very low176 Ų176147 Ų14777%0.76575%0.749SS**  98.7138.9112.4-82.2171.6-174.4166.10123.6
415K37.8Very low35Very low192 Ų192147.8 Ų147.884%0.83575%0.753SS**  trans73.6144.1164-61.3158.3-179.1176.10114
416R36.9Very low34.6Very low243 Ų243144.9 Ų144.992%0.91775%0.747SS**  cis-164.11493.2-129.6-179.6-177.8175.5-0.5108.2
417G30.9Very low34.1Very low69 Ų69145.8 Ų145.871%0.71175%0.752SS**  cis136.378.8-2200000117.2
418R33.7Very low33.7Very low257 Ų257149 Ų14997%0.9775%0.748SS**  trans-158.1172.4160.5-119.5175.3-177.6-178-1.6115.4
419K37.1Very low33.2Very low194 Ų194154.1 Ų154.184%0.84376%0.761SS**  trans-162.7-171.6-161.4-129.2-177.3-179-178.10107.2
420P42.7Very low32.5Very low99 Ų99152.6 Ų152.664%0.64377%0.766SS**  cis-141.1-167.7-1840.5-20.6000115.8
421S30.6Very low32.1Very low112 Ų112148.1 Ų148.178%0.78376%0.755SS**  trans81.5156.9145.782.40000119.4
422S31.5Very low31.6Very low94 Ų94145.8 Ų145.866%0.65775%0.746SS**  cis-152.7149.25.864.10000115.7
423T28.7Very low31.2Very low122 Ų122148.9 Ų148.975%0.74875%0.75SS**  trans46.1123.4145.856.90000123
424K29Very low30.9Very low210 Ų210149.4 Ų149.491%0.91375%0.749SS**  -155.8160116.8-111.8169.3-176.2177.10111.7
425N28.2Very low30.8Very low152 Ų152147.3 Ų147.381%0.81374%0.742SS**  trans-81.2160.5-152-63.2-13.9000116.4
426E27.7Very low30.4Very low143 Ų143144.4 Ų144.467%0.66874%0.735SS**  trans-61147.9159.3-56.8-176.7113.200112K428E426-K428 WeakPolarHBondContact OE1-CE 3.47Å; E426-K428 IonicContact OE1-NZ 2.69Å; E426-K428 PolarHBondContact OE1-NZ 3.21Å; E426-K428 IonicContact OE2-NZ 3.8Å; E426-K428 PolarHBondContact OE2-NZ 3.02Å
427V25.6Very low30.1Very low125 Ų125136.7 Ų136.776%0.75871%0.711SS**  trans-123.694.2152.1178.70000108.1K429V427-K429 HydrophobicContact CG1-CG 4.17Å; V427-K429 PolarHBondContact O-N 3.43Å; V427-K429 VanDerWaalsContact O-N 3.12Å
428K25.5Very low30.2Very low161 Ų161137.4 Ų137.470%0.771%0.71SS**  trans-7494.8168-67.8-170.8175.287.80108.8E426E426-K428 WeakPolarHBondContact OE1-CE 3.47Å; E426-K428 IonicContact OE1-NZ 2.69Å; E426-K428 PolarHBondContact OE1-NZ 3.21Å; E426-K428 IonicContact OE2-NZ 3.8Å; E426-K428 PolarHBondContact OE2-NZ 3.02Å
429K27Very low30.3Very low186 Ų186129.6 Ų129.681%0.80969%0.687SS**  trans-96.6118.9163.4-92.9-171.8172.2-173.30109.7V427 I431V427-K429 HydrophobicContact CG1-CG 4.17Å; V427-K429 PolarHBondContact O-N 3.43Å; V427-K429 VanDerWaalsContact O-N 3.12Å; K429-I431 PolarHBondContact O-N 2.79Å
430T25.1Very low30.2Very low139 Ų139123.2 Ų123.285%0.85366%0.66SS**  trans-70.4112.8170.7100000109.5
431I28.1Very low29.8Very low100 Ų100122.1 Ų122.151%0.51365%0.646SS.*  trans-60.6133.6163.5-72.5174.4000107.7K429 E435 L436K429-I431 PolarHBondContact O-N 2.79Å; I431-E435 HydrophobicContact CG2-CB 3.85Å; I431-E435 WeakPolarHBondContact CG2-OE2 3.42Å; I431-L436 HydrophobicContact CG2-CD1 4.49Å; I431-L436 HydrophobicContact CG2-CG 4.37Å
432T27.5Very low29.7Very low75 Ų75117.8 Ų117.846%0.4661%0.613SS.*  trans-75.4163.3-177.352.60000111D434 E435T432-D434 PolarHBondContact O-N 2.89Å; T432-D434 VanDerWaalsContact O-N 3.12Å; T432-E435 PolarHBondContact N-OE2 3.06Å; T432-E435 PolarHBondContact O-N 3.41Å
433K28.2Very low29.6Very low175 Ų175113.7 Ų113.776%0.76158%0.584SS**THydrogen-bonded Turntrans-62.3-23-176.8-161.9-179.9179.1-169.80112.4I437K433-I437 WeakPolarHBondContact O-CG1 3.38Å
434D30.3Very low29.5Very low113 Ų113108 Ų10860%0.60455%0.549SS*.THydrogen-bonded Turntrans-89.1-32-170.8-42-68.1000112.2T432 L436 I437T432-D434 PolarHBondContact O-N 2.89Å; T432-D434 VanDerWaalsContact O-N 3.12Å; D434-L436 PolarHBondContact O-N 3.4Å; D434-I437 WeakPolarHBondContact O-CB 3.48Å; D434-I437 PolarHBondContact O-N 3.11Å; D434-I437 VanDerWaalsContact O-N 3.1Å
435E34.7Very low29.5Very low132 Ų13299 Ų9962%0.61751%0.514SS*.THydrogen-bonded Turntrans-64.4-20.2172.2-69.5178.4140.300112.7I431 T432 I437I431-E435 HydrophobicContact CG2-CB 3.85Å; I431-E435 WeakPolarHBondContact CG2-OE2 3.42Å; T432-E435 PolarHBondContact N-OE2 3.06Å; T432-E435 PolarHBondContact O-N 3.41Å; E435-I437 VanDerWaalsContact C-N 3.35Å
436L29.4Very low29.8Very low131 Ų13194.8 Ų94.869%0.68650%0.496SS*.THydrogen-bonded Turntrans-84.8-0175.4-86.5161.6000114.3I431 D434I431-L436 HydrophobicContact CG2-CD1 4.49Å; I431-L436 HydrophobicContact CG2-CG 4.37Å; D434-L436 PolarHBondContact O-N 3.4Å
437I30.2Very low29.9Very low82 Ų8294.1 Ų94.142%0.42149%0.493SS..SBendtrans-96.1-17.2-173.2-63.7179.5000112.7K433 D434 E435 N439 K440K433-I437 WeakPolarHBondContact O-CG1 3.38Å; D434-I437 WeakPolarHBondContact O-CB 3.48Å; D434-I437 PolarHBondContact O-N 3.11Å; D434-I437 VanDerWaalsContact O-N 3.1Å; E435-I437 VanDerWaalsContact C-N 3.35Å; I437-N439 PolarHBondContact O-N 3.45Å; I437-K440 WeakPolarHBondContact O-CE 3.29Å
438A32.7Very low29.9Very low83 Ų8395.7 Ų95.769%0.68650%0.497SS*.SBendtrans-76.4-19.3-166.300000116.9
439N35.6Very low30Very low93 Ų9391.9 Ų91.950%0.49749%0.491SS..  trans-134.7119.2-178.1-67.2-67.3000110.1I437 T477I437-N439 PolarHBondContact O-N 3.45Å; N439-T477 HydrophobicContact CB-CG2 4.29Å
440K36.3Very low29.9Very low61 Ų6192.4 Ų92.427%0.26550%0.496SS..  trans-140.849.3-168.7-56.9-177.1-174.5-179.50114I437 L508 G509 W510 H511I437-K440 WeakPolarHBondContact O-CE 3.29Å; K440-L508 WeakPolarHBondContact CD-O 3.29Å; K440-L508 VanDerWaalsContact CE-O 3.25Å; K440-L508 WeakPolarHBondContact CE-O 3.29Å; K440-L508 PolarHBondContact NZ-O 2.89Å; K440-G509 WeakPolarHBondContact CD-O 3.31Å; K440-W510 HydrophobicContact CB-CD2 4.11Å; K440-W510 HydrophobicContact CB-CG 4.1Å; K440-W510 WeakPolarHBondContact O-CA 3.45Å; K440-H511 PolarHBondContact O-N 2.96Å; K440-H511 PolarHBondContact O-ND1 2.65Å
441E33Very low29.9Very low75 Ų7589.7 Ų89.735%0.3548%0.475SS..EExtended strand (participates in β ladder)trans-130.1138-164.5-64.3170.1179.500112.1K486 W510 Y513E441-K486 WeakPolarHBondContact OE2-CE 3.48Å; E441-K486 IonicContact OE2-NZ 3.9Å; E441-K486 PolarHBondContact OE2-NZ 3.05Å; E441-W510 WeakPolarHBondContact O-CZ3 3.43Å; E441-Y513 HydrophobicContact CB-CD1 3.87Å; E441-Y513 HydrophobicContact CB-CE1 3.71Å; E441-Y513 HydrophobicContact CG-CD1 4.47Å
442F30Very low29.7Very low22 Ų2292.6 Ų92.610%0.09649%0.491CS..EExtended strand (participates in β ladder)trans-122.5138.7170.7-79.4-70.1000111C444 V487 Y489 F498 L505 W510 H511 Y513F442-C444 PolarHBondContact O-N 3.31Å; F442-V487 HydrophobicContact CD1-CB 3.89Å; F442-V487 HydrophobicContact CE1-CB 3.89Å; F442-V487 HydrophobicContact CE1-CG2 4.04Å; F442-Y489 HydrophobicContact CB-CE2 4.12Å; F442-Y489 AromaticContact CD1-CE2 3.83Å; F442-Y489 HydrophobicContact CD1-CE2 3.83Å; F442-Y489 HydrophobicContact CE1-CE2 4.49Å; F442-Y489 HydrophobicContact CG-CE2 4.11Å; F442-F498 HydrophobicContact CE1-CE1 4.46Å; F442-F498 HydrophobicContact CE2-CE1 4.15Å; F442-F498 AromaticContact CZ-CE1 3.88Å; F442-F498 HydrophobicContact CZ-CE1 3.88Å; F442-L505 HydrophobicContact CE2-CD1 4.02Å; F442-L505 HydrophobicContact CZ-CD1 4.15Å; F442-W510 HydrophobicContact CD2-CD2 4.41Å; F442-W510 AromaticContact CD2-CE3 3.45Å; F442-W510 HydrophobicContact CD2-CE3 3.45Å; F442-W510 VanDerWaalsContact CD2-CE3 3.45Å; F442-W510 AromaticContact CD2-CZ3 3.98Å; F442-W510 HydrophobicContact CD2-CZ3 3.98Å; F442-W510 HydrophobicContact CE1-CZ3 4.36Å; F442-W510 HydrophobicContact CE2-CD2 4Å; F442-W510 AromaticContact CE2-CE3 3.25Å; F442-W510 HydrophobicContact CE2-CE3 3.25Å; F442-W510 AromaticContact CE2-CZ3 3.66Å; F442-W510 HydrophobicContact CE2-CZ3 3.66Å; F442-W510 HydrophobicContact CG-CE3 4.27Å; F442-W510 HydrophobicContact CG-CZ3 4.45Å; F442-W510 AromaticContact CZ-CE3 3.95Å; F442-W510 HydrophobicContact CZ-CE3 3.95Å; F442-W510 AromaticContact CZ-CZ3 3.87Å; F442-W510 HydrophobicContact CZ-CZ3 3.87Å; F442-H511 PolarHBondContact N-O 3.47Å; F442-Y513 WeakPolarHBondContact O-CD1 3.4Å; F442-Y513 WeakPolarHBondContact O-CE1 3.45Å; F442-Y513 PolarHBondContact O-N 2.69Å
443I28.8Very low29.6Very low7 Ų790.3 Ų90.34%0.03648%0.476CS..EExtended strand (participates in β ladder)trans-77123.8-178.5-64.2162.6000109.7H475 K486 V487 S488 Y489 Y513 C515I443-H475 HydrophobicContact CD1-CB 4.45Å; I443-K486 HydrophobicContact CD1-CB 3.69Å; I443-K486 HydrophobicContact CD1-CD 4.32Å; I443-K486 HydrophobicContact CG1-CB 4.01Å; I443-K486 HydrophobicContact CG1-CD 4.09Å; I443-V487 PolarHBondContact N-O 3.06Å; I443-V487 VanDerWaalsContact N-O 3.09Å; I443-S488 WeakPolarHBondContact O-CA 3.22Å; I443-Y489 PolarHBondContact O-N 2.89Å; I443-Y489 VanDerWaalsContact O-N 3.1Å; I443-Y513 HydrophobicContact CG1-CE1 4.06Å; I443-Y513 VanDerWaalsContact CG1-OH 3.25Å; I443-Y513 WeakPolarHBondContact CG1-OH 3.2Å; I443-C515 HydrophobicContact CG2-CB 4.11Å
444C26.1Very low29.5Very low2 Ų287.5 Ų87.51%0.01447%0.469CS..EExtended strand (participates in β ladder)trans-91.9133.3158.2-169.80000109.5F442 E492 Y513 L514 C515F442-C444 PolarHBondContact O-N 3.31Å; C444-E492 WeakPolarHBondContact SG-CA 3.47Å; C444-E492 VanDerWaalsContact SG-CB 3.51Å; C444-E492 PolarHBondContact SG-N 3.39Å; C444-Y513 WeakPolarHBondContact CB-O 3.47Å; C444-Y513 PolarHBondContact N-O 2.97Å; C444-L514 HydrophobicContact CB-CD1 4.4Å; C444-C515 PolarHBondContact O-N 2.84Å
445A30.4Very low29.2Very low22 Ų2288.3 Ų88.318%0.18247%0.468CS..PPolyproline II helixtrans-91.2143.8157.800000109Y489 V518A445-Y489 WeakPolarHBondContact CB-O 3.46Å; A445-Y489 PolarHBondContact N-O 3.49Å; A445-V518 HydrophobicContact CB-CG1 4.03Å
446S33.4Very low28.6Very low64 Ų6485.3 Ų85.345%0.44847%0.473SS..  trans29.3119.4166.946.70000119.9
447E29.2Very low28.3Very low129 Ų12982 Ų8260%0.60347%0.47SS*.SBendtrans-59.1135.9145.4-65.2159.212800109.8
448D27.1Very low28Very low157 Ų15789 Ų8984%0.8449%0.493SS*.SBendtrans35.198.3153.7-58-14.2000120.2
449S27.7Very low27.5Very low81 Ų8196.2 Ų96.257%0.56650%0.502SS*.  trans-170.8101.1130.821.30000112.2I451 M526S449-I451 PolarHBondContact O-N 3.09Å; S449-M526 WeakPolarHBondContact OG-CE 3.39Å
450E24.1Very low26.9Very low198 Ų198101.2 Ų101.293%0.92551%0.514SS*.  trans-68.582.6174.6-69.8-169.3123.600112.7
451I25.5Very low26.4Very low81 Ų81103.8 Ų103.842%0.41553%0.527SS..  trans-13390.7161.8-58.7-175.9000110.4S449 I453S449-I451 PolarHBondContact O-N 3.09Å; I451-I453 HydrophobicContact CG2-CD1 3.51Å; I451-I453 HydrophobicContact CG2-CG1 3.67Å; I451-I453 PolarHBondContact O-N 3.29Å
452L23.6Very low25.9Very low161 Ų161105.7 Ų105.784%0.84354%0.544SS*.  trans-73.6104163-89.4163.2000109.7
453I26.2Very low25.7Very low28 Ų28112 Ų11214%0.14458%0.578CS.*  trans-124.7100.7163.2-63.4166.5000107I451 F455 W541I451-I453 HydrophobicContact CG2-CD1 3.51Å; I451-I453 HydrophobicContact CG2-CG1 3.67Å; I451-I453 PolarHBondContact O-N 3.29Å; I453-F455 HydrophobicContact CG2-CD2 4.07Å; I453-F455 HydrophobicContact CG2-CE1 4.19Å; I453-F455 HydrophobicContact CG2-CE2 3.58Å; I453-F455 HydrophobicContact CG2-CZ 3.65Å; I453-W541 HydrophobicContact CD1-CZ2 4.24Å
454D25.4Very low25.5Very low115 Ų115114 Ų11462%0.61560%0.601SS**  trans-78.7171.9153.3-164.1-9.8000108E542D454-E542 HydrophobicContact CB-CG 3.84Å; D454-E542 VanDerWaalsContact O-CG 3.25Å; D454-E542 WeakPolarHBondContact O-CG 3.34Å
455F24.8Very low25.4Very low130 Ų130120.2 Ų120.257%0.5764%0.643SS**  trans-128.971.5-170.5-80-89.2000112.9I453 G457 F539I453-F455 HydrophobicContact CG2-CD2 4.07Å; I453-F455 HydrophobicContact CG2-CE1 4.19Å; I453-F455 HydrophobicContact CG2-CE2 3.58Å; I453-F455 HydrophobicContact CG2-CZ 3.65Å; F455-G457 PolarHBondContact O-N 3.4Å; F455-F539 HydrophobicContact CE1-CD1 4.47Å
456G22.1Very low25.3Very low70 Ų70129.2 Ų129.272%0.72267%0.673SS**THydrogen-bonded Turntrans-70.787.9177.800000113.8E542G456-E542 VanDerWaalsContact CA-OE1 3.29Å; G456-E542 WeakPolarHBondContact CA-OE1 3.37Å; G456-E542 PolarHBondContact N-OE1 2.87Å
457G22.5Very low25.2Very low62 Ų62130 Ų13064%0.63968%0.675SS**THydrogen-bonded Turntrans-176.9-35167.100000120.8F455F455-G457 PolarHBondContact O-N 3.4Å
458Y22.6Very low25.3Very low227 Ų227128.9 Ų128.989%0.8968%0.678SS**SBendtrans-146119.7178.4-91.9-78.2000112.4
459R23.7Very low25.7Very low235 Ų235122.7 Ų122.789%0.88765%0.645SS**SBendtrans57.6110.1-170.5-64.3-169-177.5-161.73.4114.7E461R459-E461 VanDerWaalsContact C-N 3.34Å; R459-E461 PolarHBondContact O-N 3.22Å
460R22.9Very low26.3Very low199 Ų199123.5 Ų123.575%0.75164%0.643SS**  trans-7675.6-177.7-157.9-173.6-61.9156.72.7112.2T462R460-T462 PolarHBondContact O-N 2.67Å
461E24.3Very low27.1Very low115 Ų115121.4 Ų121.454%0.53764%0.638SS.*  trans-81.791.9169.3-78.1-80.9127.500110K351 R459 L463K351-E461 WeakPolarHBondContact CE-OE1 3.31Å; K351-E461 IonicContact NZ-OE1 3.34Å; K351-E461 PolarHBondContact NZ-OE1 3.25Å; K351-E461 IonicContact NZ-OE2 2.68Å; K351-E461 PolarHBondContact NZ-OE2 3.17Å; R459-E461 VanDerWaalsContact C-N 3.34Å; R459-E461 PolarHBondContact O-N 3.22Å; E461-L463 VanDerWaalsContact C-N 3.32Å; E461-L463 PolarHBondContact O-N 2.72Å
462T24.4Very low28.1Very low114 Ų114119.2 Ų119.270%0.69963%0.628SS**  trans-69.685.7175.151.60000111.6R460 G464R460-T462 PolarHBondContact O-N 2.67Å; T462-G464 PolarHBondContact O-N 3.33Å
463L24.6Very low29.3Very low154 Ų154116.1 Ų116.181%0.80662%0.617SS**  trans-75.262.5165.4-78.9167.4000110.3E461E461-L463 VanDerWaalsContact C-N 3.32Å; E461-L463 PolarHBondContact O-N 2.72Å
464G24.2Very low30.4Very low50 Ų50118 Ų11852%0.51563%0.625SS.*  trans-59.5146.2171.500000110.8T462 Y466T462-G464 PolarHBondContact O-N 3.33Å; G464-Y466 PolarHBondContact O-N 3.19Å
465C24.9Very low31.5Very low133 Ų133113.6 Ų113.690%0.89960%0.601SS**SBendtrans-70.663.1-173.7-61.20000113.9
466Y27.5Very low32.6Very low210 Ų210111.2 Ų111.282%0.82459%0.588SS**  trans-116.689.5167.6-68-73.2000108G464 T468G464-Y466 PolarHBondContact O-N 3.19Å; Y466-T468 PolarHBondContact O-N 3.43Å
467V31.3Very low34Very low81 Ų81110 Ų11049%0.49157%0.567SS.*  trans-73.6105.2161.8-162.80000106.3V469V467-V469 HydrophobicContact CB-CG2 3.83Å; V467-V469 HydrophobicContact CG1-CG2 3.39Å; V467-V469 PolarHBondContact O-N 3Å
468T31.8Very low35.1Very low106 Ų106114.2 Ų114.265%0.6557%0.567SS**  trans-70.473.8169.246.90000108.8Y466 D470Y466-T468 PolarHBondContact O-N 3.43Å; T468-D470 VanDerWaalsContact C-OD1 3.28Å; T468-D470 VanDerWaalsContact CA-OD1 3.27Å; T468-D470 WeakPolarHBondContact CA-OD1 3.5Å; T468-D470 WeakPolarHBondContact CB-OD1 3.16Å; T468-D470 PolarHBondContact O-N 3.13Å
469V36.4Very low36.5Very low26 Ų26108.9 Ų108.916%0.15855%0.549CS..  trans-80.961.8173-1620000108.3V467 D471 N472 W476V467-V469 HydrophobicContact CB-CG2 3.83Å; V467-V469 HydrophobicContact CG1-CG2 3.39Å; V467-V469 PolarHBondContact O-N 3Å; V469-D471 VanDerWaalsContact C-N 3.27Å; V469-D471 PolarHBondContact O-N 3.47Å; V469-N472 HydrophobicContact CG1-CB 3.39Å; V469-W476 PolarHBondContact O-NE1 3.37Å
470D38.6Very low37.7Very low99 Ų99103.2 Ų103.253%0.52954%0.54SS..  trans-70.9-22.7-158.2-70.7-7.3000113.1T468 W476T468-D470 VanDerWaalsContact C-OD1 3.28Å; T468-D470 VanDerWaalsContact CA-OD1 3.27Å; T468-D470 WeakPolarHBondContact CA-OD1 3.5Å; T468-D470 WeakPolarHBondContact CB-OD1 3.16Å; T468-D470 PolarHBondContact O-N 3.13Å; D470-W476 PolarHBondContact O-NE1 3.11Å
471D41.6Very low38.6Very low154 Ų154102.3 Ų102.382%0.82454%0.544SS*.SBendtrans-120.7-3.6-177.2-66.4-67.3000116.7V469 P473V469-D471 VanDerWaalsContact C-N 3.27Å; V469-D471 PolarHBondContact O-N 3.47Å; D471-P473 VanDerWaalsContact O-CD 3.3Å; D471-P473 WeakPolarHBondContact O-CD 3.47Å
472N45.8Very low39.6Very low35 Ų3599.7 Ų99.719%0.18754%0.539CS..  trans-73.1117.8-178.2-177.6-4.1000111.3V469 E474 H475V469-N472 HydrophobicContact CG1-CB 3.39Å; N472-E474 PolarHBondContact O-N 2.73Å; N472-E474 VanDerWaalsContact O-N 3.09Å; N472-E474 WeakPolarHBondContact OD1-CB 3.5Å; N472-E474 PolarHBondContact OD1-N 3.45Å; N472-H475 PolarHBondContact ND2-CD2 3.48Å; N472-H475 PolarHBondContact O-N 3.15Å
473P49.9Very low40.6Very low96 Ų96101.2 Ų101.262%0.62353%0.532SS*.G310 helixtrans-60.6-21.4179.525.2-35.3000114.1D471 H475 W476D471-P473 VanDerWaalsContact O-CD 3.3Å; D471-P473 WeakPolarHBondContact O-CD 3.47Å; P473-H475 PolarHBondContact O-N 3.21Å; P473-W476 PolarHBondContact O-N 2.83Å
474E49.4Very low41.7Very low67 Ų6798.6 Ų98.631%0.31351%0.514SS..G310 helixtrans-58.6-32.3171.1-69.8-168.7166.700112N472 K486 Y513 C515N472-E474 PolarHBondContact O-N 2.73Å; N472-E474 VanDerWaalsContact O-N 3.09Å; N472-E474 WeakPolarHBondContact OD1-CB 3.5Å; N472-E474 PolarHBondContact OD1-N 3.45Å; E474-K486 VanDerWaalsContact O-CD 3.27Å; E474-K486 WeakPolarHBondContact O-CD 3.16Å; E474-K486 VanDerWaalsContact O-CE 3.24Å; E474-K486 WeakPolarHBondContact O-CE 3.29Å; E474-K486 PolarHBondContact O-NZ 3Å; E474-Y513 PolarHBondContact O-OH 3.45Å; E474-C515 PolarHBondContact OE2-SG 3.14Å
475H48.5Very low42.8Very low23 Ų2398.5 Ų98.511%0.10651%0.508CS..G310 helixtrans-88.6-14.8-172.7-73.8-110.5000114.7I443 N472 P473 A485 K486 C515I443-H475 HydrophobicContact CD1-CB 4.45Å; N472-H475 PolarHBondContact ND2-CD2 3.48Å; N472-H475 PolarHBondContact O-N 3.15Å; P473-H475 PolarHBondContact O-N 3.21Å; H475-A485 WeakPolarHBondContact O-CA 3.43Å; H475-K486 PolarHBondContact O-N 3.33Å; H475-C515 PolarHBondContact NE2-SG 2.89Å
476W48.2Very low44.3Very low80 Ų8093.5 Ų93.530%0.30347%0.471SS..EExtended strand (participates in β ladder)trans-124.7119.9-167.8-64.693.4000113V469 D470 P473 W483 A485V469-W476 PolarHBondContact O-NE1 3.37Å; D470-W476 PolarHBondContact O-NE1 3.11Å; P473-W476 PolarHBondContact O-N 2.83Å; W476-W483 HydrophobicContact CB-CB 4.42Å; W476-W483 HydrophobicContact CB-CD2 4.38Å; W476-W483 HydrophobicContact CB-CE3 3.69Å; W476-W483 HydrophobicContact CB-CZ3 4.27Å; W476-W483 HydrophobicContact CD2-CB 4.38Å; W476-W483 HydrophobicContact CE3-CB 3.73Å; W476-W483 HydrophobicContact CZ3-CB 4.36Å; W476-A485 HydrophobicContact CE3-CB 4.2Å; W476-A485 VanDerWaalsContact CE3-N 3.31Å; W476-A485 HydrophobicContact CZ3-CB 4.18Å
477T51.7Low45.5Very low45 Ų4586.3 Ų86.328%0.27645%0.449SS..EExtended strand (participates in β ladder)trans-83.2120.5169.6-46.30000110.4N439 K479 K484N439-T477 HydrophobicContact CB-CG2 4.29Å; T477-K479 PolarHBondContact O-N 2.93Å; T477-K484 PolarHBondContact N-O 3.23Å; T477-K484 PolarHBondContact O-N 2.87Å
478K44.7Very low46.4Very low149 Ų14986.5 Ų86.565%0.64845%0.454SS*.EExtended strand (participates in β ladder)trans-69.9121175-163.6169.7-176.1171.70111.1W483K478-W483 HydrophobicContact CB-CD2 4.48Å; K478-W483 HydrophobicContact CB-CE3 3.78Å; K478-W483 HydrophobicContact CB-CH2 4.15Å; K478-W483 HydrophobicContact CB-CZ3 3.61Å; K478-W483 HydrophobicContact CD-CH2 3.99Å; K478-W483 HydrophobicContact CD-CZ2 4.19Å; K478-W483 HydrophobicContact CD-CZ3 4.33Å; K478-W483 HydrophobicContact CG-CD2 4.46Å; K478-W483 HydrophobicContact CG-CE3 4.22Å; K478-W483 HydrophobicContact CG-CH2 4.24Å; K478-W483 HydrophobicContact CG-CZ2 4.43Å; K478-W483 HydrophobicContact CG-CZ3 4.13Å
479K52.8Low47.5Very low116 Ų11683 Ų8350%0.50443%0.429SS..EExtended strand (participates in β ladder)trans-93.8165.6159.6-58.6173.7175.4170.10109.1T477 H481 S482 K484T477-K479 PolarHBondContact O-N 2.93Å; K479-H481 PolarHBondContact O-N 3.21Å; K479-S482 CarbonylContact C-O 3.35Å; K479-S482 VanDerWaalsContact CA-O 3.32Å; K479-S482 WeakPolarHBondContact CA-O 3.45Å; K479-S482 VanDerWaalsContact CB-O 3.25Å; K479-S482 WeakPolarHBondContact CB-O 3Å; K479-S482 PolarHBondContact N-O 2.6Å; K479-S482 PolarHBondContact O-N 3.44Å; K479-S482 VanDerWaalsContact O-O 3.11Å; K479-K484 HydrophobicContact CD-CB 4.4Å
480V47.2Very low48.1Very low116 Ų11689.6 Ų89.670%0.70346%0.458SS*.THydrogen-bonded Turntrans-47-36.4-175.9-156.70000114.4
481H43.5Very low48.8Very low179 Ų17987.7 Ų87.783%0.82945%0.45SS*.THydrogen-bonded Turntrans-13820.4-177.9-47.1-40.6000113.5K479K479-H481 PolarHBondContact O-N 3.21Å
482S44.3Very low49.5Very low61 Ų6184 Ų8443%0.42743%0.428SS..EExtended strand (participates in β ladder)trans-166.4155.2-177.539.40000111.5K479K479-S482 CarbonylContact C-O 3.35Å; K479-S482 VanDerWaalsContact CA-O 3.32Å; K479-S482 WeakPolarHBondContact CA-O 3.45Å; K479-S482 VanDerWaalsContact CB-O 3.25Å; K479-S482 WeakPolarHBondContact CB-O 3Å; K479-S482 PolarHBondContact N-O 2.6Å; K479-S482 PolarHBondContact O-N 3.44Å; K479-S482 VanDerWaalsContact O-O 3.11Å
483W46Very low50.3Low145 Ų14588.6 Ų88.655%0.54945%0.453SS..EExtended strand (participates in β ladder)trans-89.6153.8166.5-62.499.7000110.6W476 K478W476-W483 HydrophobicContact CB-CB 4.42Å; W476-W483 HydrophobicContact CB-CD2 4.38Å; W476-W483 HydrophobicContact CB-CE3 3.69Å; W476-W483 HydrophobicContact CB-CZ3 4.27Å; W476-W483 HydrophobicContact CD2-CB 4.38Å; W476-W483 HydrophobicContact CE3-CB 3.73Å; W476-W483 HydrophobicContact CZ3-CB 4.36Å; K478-W483 HydrophobicContact CB-CD2 4.48Å; K478-W483 HydrophobicContact CB-CE3 3.78Å; K478-W483 HydrophobicContact CB-CH2 4.15Å; K478-W483 HydrophobicContact CB-CZ3 3.61Å; K478-W483 HydrophobicContact CD-CH2 3.99Å; K478-W483 HydrophobicContact CD-CZ2 4.19Å; K478-W483 HydrophobicContact CD-CZ3 4.33Å; K478-W483 HydrophobicContact CG-CD2 4.46Å; K478-W483 HydrophobicContact CG-CE3 4.22Å; K478-W483 HydrophobicContact CG-CH2 4.24Å; K478-W483 HydrophobicContact CG-CZ2 4.43Å; K478-W483 HydrophobicContact CG-CZ3 4.13Å
484K48.4Very low51.1Low99 Ų9987.2 Ų87.243%0.4344%0.44SS..EExtended strand (participates in β ladder)trans-138.5123.3170.8-174-126.3170.2-1600108.6T477 K479 K486T477-K484 PolarHBondContact N-O 3.23Å; T477-K484 PolarHBondContact O-N 2.87Å; K479-K484 HydrophobicContact CD-CB 4.4Å; K484-K486 PolarHBondContact O-N 3.02Å
485A46.1Very low51.8Low48 Ų4884.2 Ų84.240%0.39743%0.427SS..EExtended strand (participates in β ladder)trans-52.9139.117400000111.2H475 W476H475-A485 WeakPolarHBondContact O-CA 3.43Å; W476-A485 HydrophobicContact CE3-CB 4.2Å; W476-A485 VanDerWaalsContact CE3-N 3.31Å; W476-A485 HydrophobicContact CZ3-CB 4.18Å
486K56.4Low53Low28 Ų2887.5 Ų87.512%0.12244%0.438CS..PPolyproline II helixtrans-63.5158.1161.8-70-179.1-178.7167.70108.8E441 I443 E474 H475 K484 Y513E441-K486 WeakPolarHBondContact OE2-CE 3.48Å; E441-K486 IonicContact OE2-NZ 3.9Å; E441-K486 PolarHBondContact OE2-NZ 3.05Å; I443-K486 HydrophobicContact CD1-CB 3.69Å; I443-K486 HydrophobicContact CD1-CD 4.32Å; I443-K486 HydrophobicContact CG1-CB 4.01Å; I443-K486 HydrophobicContact CG1-CD 4.09Å; E474-K486 VanDerWaalsContact O-CD 3.27Å; E474-K486 WeakPolarHBondContact O-CD 3.16Å; E474-K486 VanDerWaalsContact O-CE 3.24Å; E474-K486 WeakPolarHBondContact O-CE 3.29Å; E474-K486 PolarHBondContact O-NZ 3Å; H475-K486 PolarHBondContact O-N 3.33Å; K484-K486 PolarHBondContact O-N 3.02Å; K486-Y513 HydrophobicContact CD-CE1 4.18Å; K486-Y513 WeakPolarHBondContact CD-OH 3.4Å; K486-Y513 PolarHBondContact NZ-OH 2.85Å
487V53.9Low54.2Low60 Ų6089 Ų8936%0.36445%0.449SS..PPolyproline II helixtrans-85.6135.4173.2-174.40000108.1F442 I443 Y489F442-V487 HydrophobicContact CD1-CB 3.89Å; F442-V487 HydrophobicContact CE1-CB 3.89Å; F442-V487 HydrophobicContact CE1-CG2 4.04Å; I443-V487 PolarHBondContact N-O 3.06Å; I443-V487 VanDerWaalsContact N-O 3.09Å; V487-Y489 HydrophobicContact CB-CE2 4.26Å; V487-Y489 HydrophobicContact CG1-CE2 3.94Å
488S49.4Very low55.2Low84 Ų8489.9 Ų89.959%0.58745%0.449SS*.EExtended strand (participates in β ladder)trans-102.6145.5173.153.30000110.9I443I443-S488 WeakPolarHBondContact O-CA 3.22Å
489Y55.4Low56.4Low32 Ų3283 Ų8313%0.12542%0.419CS..EExtended strand (participates in β ladder)trans-117154.5172.4-62.2-90.7000109.4F442 I443 A445 V487 D494 A495 F498F442-Y489 HydrophobicContact CB-CE2 4.12Å; F442-Y489 AromaticContact CD1-CE2 3.83Å; F442-Y489 HydrophobicContact CD1-CE2 3.83Å; F442-Y489 HydrophobicContact CE1-CE2 4.49Å; F442-Y489 HydrophobicContact CG-CE2 4.11Å; I443-Y489 PolarHBondContact O-N 2.89Å; I443-Y489 VanDerWaalsContact O-N 3.1Å; A445-Y489 WeakPolarHBondContact CB-O 3.46Å; A445-Y489 PolarHBondContact N-O 3.49Å; V487-Y489 HydrophobicContact CB-CE2 4.26Å; V487-Y489 HydrophobicContact CG1-CE2 3.94Å; Y489-D494 HydrophobicContact CD1-CB 4.1Å; Y489-D494 HydrophobicContact CG-CB 4.45Å; Y489-A495 HydrophobicContact CD2-CB 3.85Å; Y489-A495 HydrophobicContact CG-CB 3.85Å; Y489-F498 HydrophobicContact CD1-CB 4.41Å; Y489-F498 HydrophobicContact CE1-CB 3.6Å; Y489-F498 HydrophobicContact CE1-CD1 4.25Å; Y489-F498 HydrophobicContact CE1-CD2 4.11Å; Y489-F498 AromaticContact CE1-CG 3.73Å; Y489-F498 HydrophobicContact CE1-CG 3.73Å; Y489-F498 AromaticContact CZ-CD1 3.77Å; Y489-F498 AromaticContact CZ-CG 3.73Å; Y489-F498 WeakPolarHBondContact OH-CD1 3.35Å; Y489-F498 WeakPolarHBondContact OH-CE1 3.24Å; Y489-F498 WeakPolarHBondContact OH-CG 3.44Å
490E48Very low57.6Low165 Ų16581.4 Ų81.477%0.77142%0.416SS*.SBendtrans-80-27.5-174.5-63.8-175.6174.400112.2
491T52.8Low59Low60 Ų6081.7 Ų81.737%0.36841%0.41SS..SBendtrans-133.9169.7172.565.50000112D493 D494 A495T491-D493 VanDerWaalsContact C-N 3.34Å; T491-D493 PolarHBondContact OG1-N 3.5Å; T491-D494 PolarHBondContact N-OD2 2.69Å; T491-D494 VanDerWaalsContact N-OD2 3.14Å; T491-D494 PolarHBondContact OG1-N 2.87Å; T491-D494 PolarHBondContact OG1-OD2 2.87Å; T491-A495 PolarHBondContact O-N 2.94Å
492E56.4Low60.4Low75 Ų7575.9 Ų75.935%0.3539%0.385SS..Hα-helixtrans-69.5-34.4170-153.2-167.8151.300111.6C444 D494 A495 W496 P512C444-E492 WeakPolarHBondContact SG-CA 3.47Å; C444-E492 VanDerWaalsContact SG-CB 3.51Å; C444-E492 PolarHBondContact SG-N 3.39Å; E492-D494 PolarHBondContact O-N 2.96Å; E492-A495 WeakPolarHBondContact O-CB 3.48Å; E492-A495 PolarHBondContact O-N 3.28Å; E492-A495 VanDerWaalsContact O-N 3.14Å; E492-W496 PolarHBondContact O-N 3.42Å; E492-W496 PolarHBondContact OE1-NE1 2.89Å; E492-P512 HydrophobicContact CG-CB 4.38Å
493D63.5Low61.7Low132 Ų13277.2 Ų77.271%0.70639%0.392SS*.Hα-helixtrans-62.2-40.1176.3-96-15.8000112T491 A495 W496 E497T491-D493 VanDerWaalsContact C-N 3.34Å; T491-D493 PolarHBondContact OG1-N 3.5Å; D493-A495 VanDerWaalsContact C-N 3.33Å; D493-A495 PolarHBondContact O-N 3.47Å; D493-W496 PolarHBondContact O-N 2.65Å; D493-E497 WeakPolarHBondContact O-CB 3.45Å; D493-E497 PolarHBondContact O-N 2.85Å
494D66.5Low62.8Low67 Ų6780.5 Ų80.536%0.35840%0.404SS..Hα-helixtrans-60.2-42.6172.1-72.4-59.9000112Y489 T491 E492 E497 F498Y489-D494 HydrophobicContact CD1-CB 4.1Å; Y489-D494 HydrophobicContact CG-CB 4.45Å; T491-D494 PolarHBondContact N-OD2 2.69Å; T491-D494 VanDerWaalsContact N-OD2 3.14Å; T491-D494 PolarHBondContact OG1-N 2.87Å; T491-D494 PolarHBondContact OG1-OD2 2.87Å; E492-D494 PolarHBondContact O-N 2.96Å; D494-E497 PolarHBondContact O-N 3.45Å; D494-F498 WeakPolarHBondContact O-CB 3.42Å; D494-F498 PolarHBondContact O-N 3.14Å
495A64.3Low63.4Low4 Ų477.6 Ų77.63%0.03339%0.393CS..Hα-helixtrans-66.5-41.3178.800000111.1Y489 T491 E492 D493 L499 P512Y489-A495 HydrophobicContact CD2-CB 3.85Å; Y489-A495 HydrophobicContact CG-CB 3.85Å; T491-A495 PolarHBondContact O-N 2.94Å; E492-A495 WeakPolarHBondContact O-CB 3.48Å; E492-A495 PolarHBondContact O-N 3.28Å; E492-A495 VanDerWaalsContact O-N 3.14Å; D493-A495 VanDerWaalsContact C-N 3.33Å; D493-A495 PolarHBondContact O-N 3.47Å; A495-L499 WeakPolarHBondContact O-CB 3.46Å; A495-L499 PolarHBondContact O-N 2.9Å; A495-P512 HydrophobicContact CB-CB 3.94Å; A495-P512 HydrophobicContact CB-CG 4.03Å
496W72.7Confident64.4Low92 Ų9279.9 Ų79.935%0.34839%0.394SS..Hα-helixtrans-67.7-42.2173.6-84.7113.7000112.7E492 D493 F498 L499 N500 P512E492-W496 PolarHBondContact O-N 3.42Å; E492-W496 PolarHBondContact OE1-NE1 2.89Å; D493-W496 PolarHBondContact O-N 2.65Å; W496-F498 VanDerWaalsContact C-N 3.35Å; W496-L499 HydrophobicContact CE3-CD2 3.8Å; W496-L499 HydrophobicContact CH2-CD2 4.42Å; W496-L499 HydrophobicContact CZ3-CD2 3.56Å; W496-L499 PolarHBondContact O-N 2.94Å; W496-N500 VanDerWaalsContact O-CB 3.29Å; W496-N500 WeakPolarHBondContact O-CB 3.43Å; W496-N500 PolarHBondContact O-N 3.41Å; W496-N500 PolarHBondContact O-ND2 3.3Å; W496-P512 HydrophobicContact CD2-CG 4.12Å; W496-P512 HydrophobicContact CG-CG 4.33Å; W496-P512 HydrophobicContact CZ2-CG 4.34Å
497E74.8Confident64.9Low112 Ų11282.9 Ų82.952%0.52342%0.424SS..Hα-helixtrans-62.5-46178.1-148.4-144.7149.700109.7D493 D494 L499 N500 Q501D493-E497 WeakPolarHBondContact O-CB 3.45Å; D493-E497 PolarHBondContact O-N 2.85Å; D494-E497 PolarHBondContact O-N 3.45Å; E497-L499 VanDerWaalsContact C-N 3.35Å; E497-L499 PolarHBondContact O-N 3.03Å; E497-N500 PolarHBondContact O-N 3.27Å; E497-Q501 WeakPolarHBondContact O-CB 3.45Å; E497-Q501 VanDerWaalsContact O-CG 3.3Å; E497-Q501 WeakPolarHBondContact O-CG 3.33Å; E497-Q501 PolarHBondContact O-N 3.37Å; E497-Q501 PolarHBondContact OE1-NE2 3.49Å
498F71.5Confident65.3Low64 Ų6484.6 Ų84.628%0.28143%0.431SS..Hα-helixtrans-59-42.9173.8-179.9-91.3000112.6F442 Y489 D494 W496 N500 Q501 N502 L505F442-F498 HydrophobicContact CE1-CE1 4.46Å; F442-F498 HydrophobicContact CE2-CE1 4.15Å; F442-F498 AromaticContact CZ-CE1 3.88Å; F442-F498 HydrophobicContact CZ-CE1 3.88Å; Y489-F498 HydrophobicContact CD1-CB 4.41Å; Y489-F498 HydrophobicContact CE1-CB 3.6Å; Y489-F498 HydrophobicContact CE1-CD1 4.25Å; Y489-F498 HydrophobicContact CE1-CD2 4.11Å; Y489-F498 AromaticContact CE1-CG 3.73Å; Y489-F498 HydrophobicContact CE1-CG 3.73Å; Y489-F498 AromaticContact CZ-CD1 3.77Å; Y489-F498 AromaticContact CZ-CG 3.73Å; Y489-F498 WeakPolarHBondContact OH-CD1 3.35Å; Y489-F498 WeakPolarHBondContact OH-CE1 3.24Å; Y489-F498 WeakPolarHBondContact OH-CG 3.44Å; D494-F498 WeakPolarHBondContact O-CB 3.42Å; D494-F498 PolarHBondContact O-N 3.14Å; W496-F498 VanDerWaalsContact C-N 3.35Å; F498-N500 VanDerWaalsContact C-N 3.33Å; F498-N500 PolarHBondContact O-N 3.49Å; F498-Q501 PolarHBondContact O-N 2.87Å; F498-N502 WeakPolarHBondContact CE2-ND2 3.43Å; F498-N502 WeakPolarHBondContact O-CB 3.49Å; F498-N502 PolarHBondContact O-N 3.06Å; F498-N502 PolarHBondContact O-ND2 2.83Å; F498-L505 HydrophobicContact CE1-CD1 3.71Å; F498-L505 HydrophobicContact CZ-CD1 4.27Å
499L71.2Confident66Low3 Ų382.8 Ų82.82%0.01643%0.425CS..Hα-helixtrans-65.2-37.1177.6-162.783.3000111.9A495 W496 E497 N502 L505 K506 W510A495-L499 WeakPolarHBondContact O-CB 3.46Å; A495-L499 PolarHBondContact O-N 2.9Å; W496-L499 HydrophobicContact CE3-CD2 3.8Å; W496-L499 HydrophobicContact CH2-CD2 4.42Å; W496-L499 HydrophobicContact CZ3-CD2 3.56Å; W496-L499 PolarHBondContact O-N 2.94Å; E497-L499 VanDerWaalsContact C-N 3.35Å; E497-L499 PolarHBondContact O-N 3.03Å; L499-N502 CarbonylContact O-C 3.46Å; L499-N502 PolarHBondContact O-N 3.49Å; L499-L505 HydrophobicContact CD1-CB 4.42Å; L499-K506 HydrophobicContact CD2-CB 4.49Å; L499-K506 HydrophobicContact CD2-CD 4.18Å; L499-K506 HydrophobicContact CD2-CG 4.03Å; L499-K506 HydrophobicContact CG-CB 4.22Å; L499-K506 HydrophobicContact CG-CD 4.44Å; L499-K506 HydrophobicContact CG-CG 4.28Å; L499-W510 HydrophobicContact CD1-CB 3.89Å
500N76.3Confident66.2Low84 Ų8484.3 Ų84.345%0.44943%0.431SS..Hα-helixtrans-72.3-39.5176.9-70.8-34.1000112W496 E497 F498 N502 K506W496-N500 VanDerWaalsContact O-CB 3.29Å; W496-N500 WeakPolarHBondContact O-CB 3.43Å; W496-N500 PolarHBondContact O-N 3.41Å; W496-N500 PolarHBondContact O-ND2 3.3Å; E497-N500 PolarHBondContact O-N 3.27Å; F498-N500 VanDerWaalsContact C-N 3.33Å; F498-N500 PolarHBondContact O-N 3.49Å; N500-N502 PolarHBondContact O-N 2.8Å; N500-K506 PolarHBondContact OD1-NZ 3.02Å
501Q77.7Confident66.9Low121 Ų12180.9 Ų80.957%0.56541%0.414SS*.Hα-helixtrans-65.3-20.4170.5-71.3-176.92100112.6E497 F498 P503E497-Q501 WeakPolarHBondContact O-CB 3.45Å; E497-Q501 VanDerWaalsContact O-CG 3.3Å; E497-Q501 WeakPolarHBondContact O-CG 3.33Å; E497-Q501 PolarHBondContact O-N 3.37Å; E497-Q501 PolarHBondContact OE1-NE2 3.49Å; F498-Q501 PolarHBondContact O-N 2.87Å; Q501-P503 VanDerWaalsContact O-CD 3.22Å; Q501-P503 WeakPolarHBondContact O-CD 3.43Å
502N72.3Confident67.2Low57 Ų5778.7 Ų78.731%0.30540%0.401SS..  trans-11670.1179.2-71.3-86.8000113.7F498 L499 N500 R504 L505 K506F498-N502 WeakPolarHBondContact CE2-ND2 3.43Å; F498-N502 WeakPolarHBondContact O-CB 3.49Å; F498-N502 PolarHBondContact O-N 3.06Å; F498-N502 PolarHBondContact O-ND2 2.83Å; L499-N502 CarbonylContact O-C 3.46Å; L499-N502 PolarHBondContact O-N 3.49Å; N500-N502 PolarHBondContact O-N 2.8Å; N502-R504 PolarHBondContact O-N 2.67Å; N502-L505 HydrophobicContact CB-CB 4.31Å; N502-L505 HydrophobicContact CB-CD1 3.78Å; N502-L505 HydrophobicContact CB-CG 4.06Å; N502-L505 PolarHBondContact O-N 2.75Å; N502-K506 PolarHBondContact O-N 2.89Å
503P71.7Confident67.2Low89 Ų8977.3 Ų77.358%0.57839%0.393SS*.Hα-helixtrans-53.1-24.6-179.8-28.834.6000115.6Q501 A507Q501-P503 VanDerWaalsContact O-CD 3.22Å; Q501-P503 WeakPolarHBondContact O-CD 3.43Å; P503-A507 WeakPolarHBondContact O-CB 3.33Å; P503-A507 PolarHBondContact O-N 3.45Å
504R68.8Low66.6Low215 Ų21574.1 Ų74.181%0.81138%0.376SS*.Hα-helixtrans-67.6-34.4174.7-70.7-177.4176.7175.8-0.3113.2N502 L508N502-R504 PolarHBondContact O-N 2.67Å; R504-L508 WeakPolarHBondContact O-CB 3.44Å; R504-L508 WeakPolarHBondContact O-CD1 3.4Å; R504-L508 VanDerWaalsContact O-CG 3.24Å; R504-L508 WeakPolarHBondContact O-CG 3.27Å; R504-L508 PolarHBondContact O-N 3.34Å; R504-L508 VanDerWaalsContact O-N 3.17Å
505L61.2Low66Low37 Ų3771 Ų7119%0.19436%0.359CS..Hα-helixtrans-76.4-44.3177-61.2175.9000109.8F442 F498 L499 N502 A507 L508 G509 W510F442-L505 HydrophobicContact CE2-CD1 4.02Å; F442-L505 HydrophobicContact CZ-CD1 4.15Å; F498-L505 HydrophobicContact CE1-CD1 3.71Å; F498-L505 HydrophobicContact CZ-CD1 4.27Å; L499-L505 HydrophobicContact CD1-CB 4.42Å; N502-L505 HydrophobicContact CB-CB 4.31Å; N502-L505 HydrophobicContact CB-CD1 3.78Å; N502-L505 HydrophobicContact CB-CG 4.06Å; N502-L505 PolarHBondContact O-N 2.75Å; L505-A507 VanDerWaalsContact C-N 3.35Å; L505-A507 PolarHBondContact O-N 3.18Å; L505-L508 WeakPolarHBondContact O-CA 3.42Å; L505-L508 WeakPolarHBondContact O-CB 3.38Å; L505-L508 PolarHBondContact O-N 2.95Å; L505-G509 PolarHBondContact O-N 3.46Å; L505-W510 HydrophobicContact CB-CB 4.31Å; L505-W510 HydrophobicContact CB-CG 4.22Å; L505-W510 VanDerWaalsContact O-CD1 3.27Å; L505-W510 PolarHBondContact O-N 2.97Å
506K66.8Low65.5Low96 Ų9678.6 Ų78.642%0.41739%0.391SS..Hα-helixtrans-57.3-45.1173.1-156166-169.4172.40112L499 N500 N502 L508 G509L499-K506 HydrophobicContact CD2-CB 4.49Å; L499-K506 HydrophobicContact CD2-CD 4.18Å; L499-K506 HydrophobicContact CD2-CG 4.03Å; L499-K506 HydrophobicContact CG-CB 4.22Å; L499-K506 HydrophobicContact CG-CD 4.44Å; L499-K506 HydrophobicContact CG-CG 4.28Å; N500-K506 PolarHBondContact OD1-NZ 3.02Å; N502-K506 PolarHBondContact O-N 2.89Å; K506-L508 VanDerWaalsContact C-N 3.28Å; K506-L508 PolarHBondContact O-N 3.4Å; K506-G509 PolarHBondContact O-N 3.23Å
507A67.2Low64.3Low91 Ų9177 Ų7775%0.75239%0.392SS*.THydrogen-bonded Turntrans-70.7-15.9175.100000114.9P503 L505 G509P503-A507 WeakPolarHBondContact O-CB 3.33Å; P503-A507 PolarHBondContact O-N 3.45Å; L505-A507 VanDerWaalsContact C-N 3.35Å; L505-A507 PolarHBondContact O-N 3.18Å; A507-G509 VanDerWaalsContact C-N 3.33Å
508L62.5Low63Low97 Ų9773.5 Ų73.551%0.50838%0.378SS..THydrogen-bonded Turntrans-84.7-7.7169-79167.7000112.4K440 R504 L505 K506K440-L508 WeakPolarHBondContact CD-O 3.29Å; K440-L508 VanDerWaalsContact CE-O 3.25Å; K440-L508 WeakPolarHBondContact CE-O 3.29Å; K440-L508 PolarHBondContact NZ-O 2.89Å; R504-L508 WeakPolarHBondContact O-CB 3.44Å; R504-L508 WeakPolarHBondContact O-CD1 3.4Å; R504-L508 VanDerWaalsContact O-CG 3.24Å; R504-L508 WeakPolarHBondContact O-CG 3.27Å; R504-L508 PolarHBondContact O-N 3.34Å; R504-L508 VanDerWaalsContact O-N 3.17Å; L505-L508 WeakPolarHBondContact O-CA 3.42Å; L505-L508 WeakPolarHBondContact O-CB 3.38Å; L505-L508 PolarHBondContact O-N 2.95Å; K506-L508 VanDerWaalsContact C-N 3.28Å; K506-L508 PolarHBondContact O-N 3.4Å
509G64.5Low61.9Low45 Ų4571.5 Ų71.546%0.46437%0.373SS..THydrogen-bonded Turntrans81.537.9-178.300000113.6K440 L505 K506 A507K440-G509 WeakPolarHBondContact CD-O 3.31Å; L505-G509 PolarHBondContact O-N 3.46Å; K506-G509 PolarHBondContact O-N 3.23Å; A507-G509 VanDerWaalsContact C-N 3.33Å
510W59Low60.7Low65 Ų6575.1 Ų75.125%0.24639%0.39CS..  trans-82.4148168.3-70.865.3000110.8K440 E441 F442 L499 L505K440-W510 HydrophobicContact CB-CD2 4.11Å; K440-W510 HydrophobicContact CB-CG 4.1Å; K440-W510 WeakPolarHBondContact O-CA 3.45Å; E441-W510 WeakPolarHBondContact O-CZ3 3.43Å; F442-W510 HydrophobicContact CD2-CD2 4.41Å; F442-W510 AromaticContact CD2-CE3 3.45Å; F442-W510 HydrophobicContact CD2-CE3 3.45Å; F442-W510 VanDerWaalsContact CD2-CE3 3.45Å; F442-W510 AromaticContact CD2-CZ3 3.98Å; F442-W510 HydrophobicContact CD2-CZ3 3.98Å; F442-W510 HydrophobicContact CE1-CZ3 4.36Å; F442-W510 HydrophobicContact CE2-CD2 4Å; F442-W510 AromaticContact CE2-CE3 3.25Å; F442-W510 HydrophobicContact CE2-CE3 3.25Å; F442-W510 AromaticContact CE2-CZ3 3.66Å; F442-W510 HydrophobicContact CE2-CZ3 3.66Å; F442-W510 HydrophobicContact CG-CE3 4.27Å; F442-W510 HydrophobicContact CG-CZ3 4.45Å; F442-W510 AromaticContact CZ-CE3 3.95Å; F442-W510 HydrophobicContact CZ-CE3 3.95Å; F442-W510 AromaticContact CZ-CZ3 3.87Å; F442-W510 HydrophobicContact CZ-CZ3 3.87Å; L499-W510 HydrophobicContact CD1-CB 3.89Å; L505-W510 HydrophobicContact CB-CB 4.31Å; L505-W510 HydrophobicContact CB-CG 4.22Å; L505-W510 VanDerWaalsContact O-CD1 3.27Å; L505-W510 PolarHBondContact O-N 2.97Å
511H63.8Low59.3Low93 Ų9373.9 Ų73.943%0.43138%0.382SS..EExtended strand (participates in β ladder)trans-140.9153.5177.863.9-63000111K440 F442K440-H511 PolarHBondContact O-N 2.96Å; K440-H511 PolarHBondContact O-ND1 2.65Å; F442-H511 PolarHBondContact N-O 3.47Å
512P58.1Low57.6Low14 Ų1469.7 Ų69.79%0.09137%0.372CS..EExtended strand (participates in β ladder)trans-67.3153162.1-13.630.3000110.5E492 A495 W496E492-P512 HydrophobicContact CG-CB 4.38Å; A495-P512 HydrophobicContact CB-CB 3.94Å; A495-P512 HydrophobicContact CB-CG 4.03Å; W496-P512 HydrophobicContact CD2-CG 4.12Å; W496-P512 HydrophobicContact CG-CG 4.33Å; W496-P512 HydrophobicContact CZ2-CG 4.34Å
513Y56.2Low56.3Low46 Ų4673.5 Ų73.518%0.1839%0.386CS..EExtended strand (participates in β ladder)trans-143140.7164.475.6-81.3000110.5E441 F442 I443 C444 E474 K486 C515E441-Y513 HydrophobicContact CB-CD1 3.87Å; E441-Y513 HydrophobicContact CB-CE1 3.71Å; E441-Y513 HydrophobicContact CG-CD1 4.47Å; F442-Y513 WeakPolarHBondContact O-CD1 3.4Å; F442-Y513 WeakPolarHBondContact O-CE1 3.45Å; F442-Y513 PolarHBondContact O-N 2.69Å; I443-Y513 HydrophobicContact CG1-CE1 4.06Å; I443-Y513 VanDerWaalsContact CG1-OH 3.25Å; I443-Y513 WeakPolarHBondContact CG1-OH 3.2Å; C444-Y513 WeakPolarHBondContact CB-O 3.47Å; C444-Y513 PolarHBondContact N-O 2.97Å; E474-Y513 PolarHBondContact O-OH 3.45Å; K486-Y513 HydrophobicContact CD-CE1 4.18Å; K486-Y513 WeakPolarHBondContact CD-OH 3.4Å; K486-Y513 PolarHBondContact NZ-OH 2.85Å; Y513-C515 HydrophobicContact CE2-CB 4.32Å; Y513-C515 PolarHBondContact O-N 3.49Å
514L50.7Low55.1Low65 Ų6577.1 Ų77.134%0.3439%0.388SS..EExtended strand (participates in β ladder)trans-73.3121.4173.7-163.575.7000109.7C444 K516 A519C444-L514 HydrophobicContact CB-CD1 4.4Å; L514-K516 PolarHBondContact O-N 3.21Å; L514-A519 HydrophobicContact CD2-CB 4.13Å; L514-A519 HydrophobicContact CG-CB 4.45Å
515C54.8Low54Low0 Ų073.7 Ų73.70%038%0.375CS..  trans-74.1118.4174.3173.20000110.3I443 C444 E474 H475 Y513 V517 V518 A519I443-C515 HydrophobicContact CG2-CB 4.11Å; C444-C515 PolarHBondContact O-N 2.84Å; E474-C515 PolarHBondContact OE2-SG 3.14Å; H475-C515 PolarHBondContact NE2-SG 2.89Å; Y513-C515 HydrophobicContact CE2-CB 4.32Å; Y513-C515 PolarHBondContact O-N 3.49Å; C515-V517 VanDerWaalsContact C-N 3.28Å; C515-V517 PolarHBondContact O-N 3.42Å; C515-V518 HydrophobicContact CB-CB 4.05Å; C515-V518 HydrophobicContact CB-CG2 3.95Å; C515-V518 PolarHBondContact O-N 2.92Å; C515-A519 PolarHBondContact O-N 3.15Å
516K52.5Low53.1Low165 Ų16575.9 Ų75.972%0.71739%0.385SS*.Hα-helixtrans-58.6-39.7-178.9-66.7-176.6177.3-175.70112.3L514 A519 E520L514-K516 PolarHBondContact O-N 3.21Å; K516-A519 PolarHBondContact O-N 3.44Å; K516-E520 VanDerWaalsContact O-CB 3.28Å; K516-E520 WeakPolarHBondContact O-CB 3.35Å; K516-E520 PolarHBondContact O-N 3.48Å
517V48.1Very low52.1Low59 Ų5974 Ų7436%0.35839%0.387SS..Hα-helixtrans-67.8-39.9179.3-1790000111.5C515 E520 I521C515-V517 VanDerWaalsContact C-N 3.28Å; C515-V517 PolarHBondContact O-N 3.42Å; V517-E520 PolarHBondContact O-N 3.44Å; V517-I521 HydrophobicContact CG1-CD1 3.94Å; V517-I521 WeakPolarHBondContact O-CB 3.29Å; V517-I521 WeakPolarHBondContact O-CD1 3.46Å; V517-I521 VanDerWaalsContact O-CG1 3.23Å; V517-I521 WeakPolarHBondContact O-CG1 3.39Å; V517-I521 PolarHBondContact O-N 3.36Å
518V48.1Very low51.2Low37 Ų3774 Ų7422%0.22438%0.375CS..Hα-helixtrans-67.9-43.2175.8175.80000111.1A445 C515 E520 I521 G522A445-V518 HydrophobicContact CB-CG1 4.03Å; C515-V518 HydrophobicContact CB-CB 4.05Å; C515-V518 HydrophobicContact CB-CG2 3.95Å; C515-V518 PolarHBondContact O-N 2.92Å; V518-E520 VanDerWaalsContact C-N 3.35Å; V518-E520 PolarHBondContact O-N 3.26Å; V518-I521 PolarHBondContact O-N 3.45Å; V518-G522 PolarHBondContact O-N 3Å
519A47.3Very low50.5Low22 Ų2275.2 Ų75.218%0.18237%0.373CS..Hα-helixtrans-60.9-42.7175.900000111.9L514 C515 K516 G522 K523L514-A519 HydrophobicContact CD2-CB 4.13Å; L514-A519 HydrophobicContact CG-CB 4.45Å; C515-A519 PolarHBondContact O-N 3.15Å; K516-A519 PolarHBondContact O-N 3.44Å; A519-G522 WeakPolarHBondContact O-CA 3.38Å; A519-G522 PolarHBondContact O-N 3.17Å; A519-K523 WeakPolarHBondContact O-CG 3.48Å; A519-K523 PolarHBondContact O-N 3.31Å
520E47.6Very low49.6Very low80 Ų8075.8 Ų75.837%0.37436%0.364SS..Hα-helixtrans-69.2-37.7178.9-168.357.9-154.800112.6K516 V517 V518 G522 K523 R524K516-E520 VanDerWaalsContact O-CB 3.28Å; K516-E520 WeakPolarHBondContact O-CB 3.35Å; K516-E520 PolarHBondContact O-N 3.48Å; V517-E520 PolarHBondContact O-N 3.44Å; V518-E520 VanDerWaalsContact C-N 3.35Å; V518-E520 PolarHBondContact O-N 3.26Å; E520-G522 VanDerWaalsContact C-N 3.3Å; E520-G522 PolarHBondContact O-N 3.24Å; E520-K523 PolarHBondContact O-N 3.33Å; E520-K523 WeakPolarHBondContact OE2-CD 3.39Å; E520-K523 IonicContact OE2-NZ 2.7Å; E520-R524 WeakPolarHBondContact O-CG 3.35Å; E520-R524 PolarHBondContact O-N 3.37Å; E520-R524 IonicContact OE1-NE 2.69Å
521I47Very low49Very low57 Ų5775.8 Ų75.829%0.29237%0.37SS..Hα-helixtrans-63.3-37.8169.6-70165.9000110.8V517 V518 R525V517-I521 HydrophobicContact CG1-CD1 3.94Å; V517-I521 WeakPolarHBondContact O-CB 3.29Å; V517-I521 WeakPolarHBondContact O-CD1 3.46Å; V517-I521 VanDerWaalsContact O-CG1 3.23Å; V517-I521 WeakPolarHBondContact O-CG1 3.39Å; V517-I521 PolarHBondContact O-N 3.36Å; V518-I521 PolarHBondContact O-N 3.45Å; I521-R525 WeakPolarHBondContact O-CB 3.22Å; I521-R525 VanDerWaalsContact O-CG 3.28Å; I521-R525 WeakPolarHBondContact O-CG 3.46Å; I521-R525 PolarHBondContact O-N 3.09Å
522G42Very low48.3Very low33 Ų3376.8 Ų76.834%0.3437%0.372SS..Hα-helixtrans-60.5-50.9173.100000112.4V518 A519 E520 R524 R525 M526V518-G522 PolarHBondContact O-N 3Å; A519-G522 WeakPolarHBondContact O-CA 3.38Å; A519-G522 PolarHBondContact O-N 3.17Å; E520-G522 VanDerWaalsContact C-N 3.3Å; E520-G522 PolarHBondContact O-N 3.24Å; G522-R524 PolarHBondContact O-N 3.27Å; G522-R525 PolarHBondContact O-N 2.76Å; G522-M526 PolarHBondContact O-N 3.27Å
523K44.9Very low47.6Very low138 Ų13876.8 Ų76.860%0.637%0.372SS*.Hα-helixtrans-56.8-48.1175.6-71.3172.8-177.2177.60112.1A519 E520 R525 M526 A527A519-K523 WeakPolarHBondContact O-CG 3.48Å; A519-K523 PolarHBondContact O-N 3.31Å; E520-K523 PolarHBondContact O-N 3.33Å; E520-K523 WeakPolarHBondContact OE2-CD 3.39Å; E520-K523 IonicContact OE2-NZ 2.7Å; K523-R525 PolarHBondContact O-N 3.28Å; K523-M526 PolarHBondContact O-N 2.98Å; K523-A527 PolarHBondContact O-N 3.13Å
524R46.3Very low46.9Very low164 Ų16481.4 Ų81.462%0.61939%0.393SS*.Hα-helixtrans-60.8-42.9176.7-70.9178.3-174.3-155.9-0.3112.2E520 G522 M526 A527 D528E520-R524 WeakPolarHBondContact O-CG 3.35Å; E520-R524 PolarHBondContact O-N 3.37Å; E520-R524 IonicContact OE1-NE 2.69Å; G522-R524 PolarHBondContact O-N 3.27Å; R524-M526 VanDerWaalsContact C-N 3.34Å; R524-M526 PolarHBondContact O-N 2.93Å; R524-A527 WeakPolarHBondContact O-CB 3.45Å; R524-A527 PolarHBondContact O-N 2.73Å; R524-A527 VanDerWaalsContact O-N 3.17Å; R524-D528 PolarHBondContact O-N 2.98Å
525R44.5Very low46.8Very low143 Ų14383.6 Ų83.654%0.5440%0.4SS..Hα-helixtrans-65.1-33.8174.9-74.3173.3175.4-168.7-1.2113.1I521 G522 K523 R529I521-R525 WeakPolarHBondContact O-CB 3.22Å; I521-R525 VanDerWaalsContact O-CG 3.28Å; I521-R525 WeakPolarHBondContact O-CG 3.46Å; I521-R525 PolarHBondContact O-N 3.09Å; G522-R525 PolarHBondContact O-N 2.76Å; K523-R525 PolarHBondContact O-N 3.28Å; R525-R529 WeakPolarHBondContact O-CB 3.28Å; R525-R529 VanDerWaalsContact O-CG 3.24Å; R525-R529 WeakPolarHBondContact O-CG 3.4Å; R525-R529 PolarHBondContact O-N 2.99Å; R525-R529 VanDerWaalsContact O-N 3.1Å
526M43.1Very low46.4Very low84 Ų8485.6 Ų85.641%0.41442%0.42SS..Hα-helixtrans-69.1-39.9170.1-94.8-145.8-103.500112S449 G522 K523 R524 R529 L530S449-M526 WeakPolarHBondContact OG-CE 3.39Å; G522-M526 PolarHBondContact O-N 3.27Å; K523-M526 PolarHBondContact O-N 2.98Å; R524-M526 VanDerWaalsContact C-N 3.34Å; R524-M526 PolarHBondContact O-N 2.93Å; M526-R529 PolarHBondContact O-N 2.83Å; M526-L530 WeakPolarHBondContact O-CB 3.46Å; M526-L530 WeakPolarHBondContact O-CG 3.31Å; M526-L530 PolarHBondContact O-N 2.98Å
527A46Very low46.2Very low55 Ų5584.7 Ų84.746%0.45541%0.413SS..Hα-helixtrans-61.2-46174.500000111.8K523 R524 R529 L530 D531K523-A527 PolarHBondContact O-N 3.13Å; R524-A527 WeakPolarHBondContact O-CB 3.45Å; R524-A527 PolarHBondContact O-N 2.73Å; R524-A527 VanDerWaalsContact O-N 3.17Å; A527-R529 VanDerWaalsContact C-N 3.31Å; A527-R529 PolarHBondContact O-N 3.14Å; A527-L530 CarbonylContact O-C 3.6Å; A527-L530 PolarHBondContact O-N 2.95Å; A527-D531 WeakPolarHBondContact O-CB 3.18Å; A527-D531 PolarHBondContact O-N 2.72Å
528D48.1Very low46.6Very low93 Ų9388.5 Ų88.550%0.49742%0.422SS..Hα-helixtrans-60.4-37.7174-73.7-12.1000112.7R524 K532R524-D528 PolarHBondContact O-N 2.98Å; D528-K532 WeakPolarHBondContact O-CD 3.41Å; D528-K532 VanDerWaalsContact O-CG 3.32Å; D528-K532 WeakPolarHBondContact O-CG 3.44Å; D528-K532 PolarHBondContact O-N 3.26Å; D528-K532 VanDerWaalsContact O-N 3.14Å
529R47.4Very low47.1Very low122 Ų12287.9 Ų87.946%0.4642%0.417SS..Hα-helixtrans-68.6-41.9174.9-77.4170.8168.3-163.3-7.6111.1R525 M526 A527 K532 V533R525-R529 WeakPolarHBondContact O-CB 3.28Å; R525-R529 VanDerWaalsContact O-CG 3.24Å; R525-R529 WeakPolarHBondContact O-CG 3.4Å; R525-R529 PolarHBondContact O-N 2.99Å; R525-R529 VanDerWaalsContact O-N 3.1Å; M526-R529 PolarHBondContact O-N 2.83Å; A527-R529 VanDerWaalsContact C-N 3.31Å; A527-R529 PolarHBondContact O-N 3.14Å; R529-K532 PolarHBondContact O-N 3.3Å; R529-V533 WeakPolarHBondContact O-CB 3.28Å; R529-V533 WeakPolarHBondContact O-CG2 3.18Å; R529-V533 PolarHBondContact O-N 3.39Å
530L45.7Very low47.8Very low56 Ų5692 Ų9229%0.29343%0.431SS..Hα-helixtrans-68.9-32.9177-77.5164.8000112.8M526 A527 V533 K534M526-L530 WeakPolarHBondContact O-CB 3.46Å; M526-L530 WeakPolarHBondContact O-CG 3.31Å; M526-L530 PolarHBondContact O-N 2.98Å; A527-L530 CarbonylContact O-C 3.6Å; A527-L530 PolarHBondContact O-N 2.95Å; L530-V533 WeakPolarHBondContact O-CB 3.31Å; L530-V533 PolarHBondContact O-N 3.39Å; L530-K534 WeakPolarHBondContact O-CB 3.44Å; L530-K534 VanDerWaalsContact O-CG 3.27Å; L530-K534 WeakPolarHBondContact O-CG 3.31Å; L530-K534 PolarHBondContact O-N 2.92Å
531D47.9Very low48.5Very low66 Ų6689.4 Ų89.435%0.35342%0.418SS..Hα-helixtrans-67.1-46.5172.3174.768.8000111.5A527 V533 K534 K535A527-D531 WeakPolarHBondContact O-CB 3.18Å; A527-D531 PolarHBondContact O-N 2.72Å; D531-V533 VanDerWaalsContact C-N 3.29Å; D531-V533 PolarHBondContact O-N 2.82Å; D531-K534 PolarHBondContact O-N 3.47Å; D531-K534 VanDerWaalsContact O-N 3.16Å; D531-K535 WeakPolarHBondContact O-CB 3.43Å; D531-K535 WeakPolarHBondContact O-CG 3.42Å; D531-K535 PolarHBondContact O-N 3.1Å; D531-K535 WeakPolarHBondContact OD1-CE 3.49Å; D531-K535 IonicContact OD1-NZ 3.48Å; D531-K535 PolarHBondContact OD1-NZ 2.87Å; D531-K535 WeakPolarHBondContact OD2-CE 3.38Å; D531-K535 IonicContact OD2-NZ 2.64Å; D531-K535 PolarHBondContact OD2-NZ 3.36Å
532K47.4Very low48.8Very low113 Ų11391.6 Ų91.649%0.49143%0.426SS..Hα-helixtrans-61.6-36.5172.3-70.9166.5-174.7170.20112.2D528 R529 K535 Y537D528-K532 WeakPolarHBondContact O-CD 3.41Å; D528-K532 VanDerWaalsContact O-CG 3.32Å; D528-K532 WeakPolarHBondContact O-CG 3.44Å; D528-K532 PolarHBondContact O-N 3.26Å; D528-K532 VanDerWaalsContact O-N 3.14Å; R529-K532 PolarHBondContact O-N 3.3Å; K532-K535 PolarHBondContact O-N 2.86Å; K532-Y537 VanDerWaalsContact O-CD2 3.25Å; K532-Y537 WeakPolarHBondContact O-CD2 3.35Å
533V43.9Very low49.7Very low14 Ų1492.5 Ų92.59%0.08542%0.424CS..Hα-helixtrans-59.5-51.9170143.30000111.3R529 L530 D531 K535 G536 F539 A574 V576 T581R529-V533 WeakPolarHBondContact O-CB 3.28Å; R529-V533 WeakPolarHBondContact O-CG2 3.18Å; R529-V533 PolarHBondContact O-N 3.39Å; L530-V533 WeakPolarHBondContact O-CB 3.31Å; L530-V533 PolarHBondContact O-N 3.39Å; D531-V533 VanDerWaalsContact C-N 3.29Å; D531-V533 PolarHBondContact O-N 2.82Å; V533-K535 PolarHBondContact O-N 3.29Å; V533-G536 PolarHBondContact O-N 3.42Å; V533-F539 HydrophobicContact CB-CE2 4.41Å; V533-F539 HydrophobicContact CB-CZ 4.37Å; V533-F539 HydrophobicContact CG2-CD2 4.43Å; V533-F539 HydrophobicContact CG2-CE1 4.42Å; V533-F539 HydrophobicContact CG2-CE2 3.59Å; V533-F539 HydrophobicContact CG2-CZ 3.59Å; V533-A574 HydrophobicContact CB-CB 4.11Å; V533-A574 HydrophobicContact CG1-CB 3.47Å; V533-A574 VanDerWaalsContact CG1-CB 3.47Å; V533-A574 HydrophobicContact CG2-CB 3.76Å; V533-V576 HydrophobicContact CG1-CG2 4.26Å; V533-T581 HydrophobicContact CG1-CG2 4.43Å
534K42.7Very low50.7Low144 Ų14487.1 Ų87.163%0.62640%0.4SS*.Hα-helixtrans-62.8-28.3179.9-75.3169.1-179.7-178.80113L530 D531 G536 V576L530-K534 WeakPolarHBondContact O-CB 3.44Å; L530-K534 VanDerWaalsContact O-CG 3.27Å; L530-K534 WeakPolarHBondContact O-CG 3.31Å; L530-K534 PolarHBondContact O-N 2.92Å; D531-K534 PolarHBondContact O-N 3.47Å; D531-K534 VanDerWaalsContact O-N 3.16Å; K534-G536 PolarHBondContact O-N 2.99Å; K534-V576 HydrophobicContact CG-CG2 4.11Å
535K48.7Very low52.1Low111 Ų11184.5 Ų84.548%0.48340%0.395SS..THydrogen-bonded Turntrans-80.510.7175.6-71.3166.8178.8163.50114.2D531 K532 V533 Y537D531-K535 WeakPolarHBondContact O-CB 3.43Å; D531-K535 WeakPolarHBondContact O-CG 3.42Å; D531-K535 PolarHBondContact O-N 3.1Å; D531-K535 WeakPolarHBondContact OD1-CE 3.49Å; D531-K535 IonicContact OD1-NZ 3.48Å; D531-K535 PolarHBondContact OD1-NZ 2.87Å; D531-K535 WeakPolarHBondContact OD2-CE 3.38Å; D531-K535 IonicContact OD2-NZ 2.64Å; D531-K535 PolarHBondContact OD2-NZ 3.36Å; K532-K535 PolarHBondContact O-N 2.86Å; V533-K535 PolarHBondContact O-N 3.29Å; K535-Y537 HydrophobicContact CB-CD2 3.93Å; K535-Y537 HydrophobicContact CB-CE2 3.82Å; K535-Y537 PolarHBondContact O-N 2.85Å
536G45.4Very low53.8Low41 Ų4180 Ų8042%0.42338%0.383SS..THydrogen-bonded Turntrans76.518.6166.300000115.7V533 K534V533-G536 PolarHBondContact O-N 3.42Å; K534-G536 PolarHBondContact O-N 2.99Å
537Y48.6Very low55.6Low146 Ų14679 Ų7957%0.57338%0.38SS*.  trans-65.9152.6176.4-75.1-100.5000111.9K532 K535 F539K532-Y537 VanDerWaalsContact O-CD2 3.25Å; K532-Y537 WeakPolarHBondContact O-CD2 3.35Å; K535-Y537 HydrophobicContact CB-CD2 3.93Å; K535-Y537 HydrophobicContact CB-CE2 3.82Å; K535-Y537 PolarHBondContact O-N 2.85Å; Y537-F539 WeakPolarHBondContact O-CD2 3.29Å; Y537-F539 WeakPolarHBondContact O-CE2 3.49Å
538Y56.8Low57.2Low140 Ų14085.9 Ų85.955%0.54939%0.393SS..  trans-85.8140.3171.8-66.8-72.9000111.3P571 V573 P586Y538-P571 HydrophobicContact CD1-CB 4.07Å; Y538-V573 HydrophobicContact CD1-CG2 3.56Å; Y538-V573 HydrophobicContact CE1-CG2 3.39Å; Y538-P586 HydrophobicContact CD1-CG 4.45Å; Y538-P586 HydrophobicContact CE1-CB 3.9Å; Y538-P586 HydrophobicContact CE1-CG 3.85Å
539F57.8Low58.8Low24 Ų2484.7 Ų84.711%0.10539%0.385CS..BIsolated β-bridgetrans-121.2146.1177.2-56.1-82.8000110.9F455 V533 Y537 W541 P571 F572F455-F539 HydrophobicContact CE1-CD1 4.47Å; V533-F539 HydrophobicContact CB-CE2 4.41Å; V533-F539 HydrophobicContact CB-CZ 4.37Å; V533-F539 HydrophobicContact CG2-CD2 4.43Å; V533-F539 HydrophobicContact CG2-CE1 4.42Å; V533-F539 HydrophobicContact CG2-CE2 3.59Å; V533-F539 HydrophobicContact CG2-CZ 3.59Å; Y537-F539 WeakPolarHBondContact O-CD2 3.29Å; Y537-F539 WeakPolarHBondContact O-CE2 3.49Å; F539-W541 HydrophobicContact CB-CH2 4.23Å; F539-W541 HydrophobicContact CB-CZ3 3.79Å; F539-P571 WeakPolarHBondContact O-CA 3.23Å; F539-F572 PolarHBondContact N-O 3.41Å; F539-F572 PolarHBondContact O-N 2.9Å
540F61.8Low60Low107 Ų10786.2 Ų86.247%0.46940%0.402SS..  trans-128.8156.1177.3-62-84.8000108.9P569 P571F540-P569 HydrophobicContact CD1-CB 4.01Å; F540-P571 HydrophobicContact CD1-CB 4.36Å; F540-P571 HydrophobicContact CE1-CB 3.66Å; F540-P571 HydrophobicContact CE1-CG 4.3Å; F540-P571 HydrophobicContact CZ-CB 3.89Å
541W62.4Low61.3Low27 Ų2791.1 Ų91.110%0.10243%0.429CS..  trans-104.1125.1-178.3-88.5-112000111.2I453 F539 D543 E544 C557 F560 F572 L583I453-W541 HydrophobicContact CD1-CZ2 4.24Å; F539-W541 HydrophobicContact CB-CH2 4.23Å; F539-W541 HydrophobicContact CB-CZ3 3.79Å; W541-D543 VanDerWaalsContact C-N 3.28Å; W541-D543 PolarHBondContact O-N 3.07Å; W541-E544 HydrophobicContact CB-CB 4.25Å; W541-E544 WeakPolarHBondContact O-CB 3.34Å; W541-C557 WeakPolarHBondContact CB-SG 3.06Å; W541-F560 HydrophobicContact CD2-CZ 4.42Å; W541-F560 AromaticContact NE1-CE1 3.75Å; W541-F560 AromaticContact NE1-CZ 3.79Å; W541-F572 AromaticContact CE3-CD2 3.54Å; W541-F572 HydrophobicContact CE3-CD2 3.54Å; W541-F572 AromaticContact CE3-CE2 3.94Å; W541-F572 HydrophobicContact CE3-CE2 3.94Å; W541-F572 HydrophobicContact CE3-CG 4.48Å; W541-F572 HydrophobicContact CH2-CB 4.43Å; W541-F572 HydrophobicContact CH2-CD2 4.33Å; W541-F572 HydrophobicContact CZ3-CB 3.92Å; W541-F572 AromaticContact CZ3-CD2 3.43Å; W541-F572 HydrophobicContact CZ3-CD2 3.43Å; W541-F572 VanDerWaalsContact CZ3-CD2 3.43Å; W541-F572 HydrophobicContact CZ3-CE2 4.22Å; W541-F572 AromaticContact CZ3-CG 3.95Å; W541-F572 HydrophobicContact CZ3-CG 3.95Å; W541-L583 HydrophobicContact CH2-CD1 3.45Å; W541-L583 VanDerWaalsContact CH2-CD1 3.45Å; W541-L583 HydrophobicContact CH2-CD2 3.85Å; W541-L583 HydrophobicContact CH2-CG 4.3Å; W541-L583 HydrophobicContact CZ2-CD1 3.51Å
542E53.4Low62.7Low102 Ų10288.6 Ų88.648%0.47742%0.419SS..THydrogen-bonded Turntrans-62-35.5177.2-75.4-82.5126.800112.9D454 G456 E544D454-E542 HydrophobicContact CB-CG 3.84Å; D454-E542 VanDerWaalsContact O-CG 3.25Å; D454-E542 WeakPolarHBondContact O-CG 3.34Å; G456-E542 VanDerWaalsContact CA-OE1 3.29Å; G456-E542 WeakPolarHBondContact CA-OE1 3.37Å; G456-E542 PolarHBondContact N-OE1 2.87Å; E542-E544 VanDerWaalsContact C-N 3.33Å
543D61.1Low64.2Low53 Ų5385.1 Ų85.128%0.28340%0.404SS..THydrogen-bonded Turntrans-93.415.9-172.967-20.2000113.3W541 E545 C557 S558W541-D543 VanDerWaalsContact C-N 3.28Å; W541-D543 PolarHBondContact O-N 3.07Å; D543-E545 PolarHBondContact O-N 2.91Å; D543-C557 VanDerWaalsContact OD1-CB 3.3Å; D543-C557 WeakPolarHBondContact OD1-CB 3.22Å; D543-C557 PolarHBondContact OD1-SG 3.36Å; D543-S558 WeakPolarHBondContact OD2-CB 3.2Å; D543-S558 PolarHBondContact OD2-N 2.9Å; D543-S558 PolarHBondContact OD2-OG 3.31Å
544E66Low65.8Low24 Ų2485.4 Ų85.411%0.11241%0.405CS..  trans-71.487.5-176.6-167.1178.7157.200112.7W541 E542 V546 H555 R556 W562 P569 T570W541-E544 HydrophobicContact CB-CB 4.25Å; W541-E544 WeakPolarHBondContact O-CB 3.34Å; E542-E544 VanDerWaalsContact C-N 3.33Å; E544-V546 HydrophobicContact CG-CG2 4.09Å; E544-V546 PolarHBondContact O-N 3.48Å; E544-V546 VanDerWaalsContact O-N 3.14Å; E544-H555 HydrophobicContact CG-CB 4.2Å; E544-H555 IonicContact OE1-CE1 3.2Å; E544-H555 IonicContact OE1-CG 2.89Å; E544-H555 IonicContact OE1-ND1 2.68Å; E544-H555 PolarHBondContact OE1-ND1 3.04Å; E544-R556 CarbonylContact C-O 3.5Å; E544-R556 WeakPolarHBondContact CA-O 3.27Å; E544-W562 HydrophobicContact CG-CH2 3.74Å; E544-W562 HydrophobicContact CG-CZ2 4.01Å; E544-W562 WeakPolarHBondContact OE1-CZ2 3.45Å; E544-P569 WeakPolarHBondContact OE1-CA 3.48Å; E544-P569 WeakPolarHBondContact OE2-CA 3.5Å; E544-T570 PolarHBondContact OE1-N 3.05Å; E544-T570 VanDerWaalsContact OE1-N 3.13Å; E544-T570 PolarHBondContact OE2-N 3.18Å
545E74.9Confident67.4Low109 Ų10978.6 Ų78.651%0.50938%0.375SS..EExtended strand (participates in β ladder)trans-65.1104.3166.5-72.6-163.5138.500110.8D543 H555 R556D543-E545 PolarHBondContact O-N 2.91Å; E545-H555 CarbonylContact O-C 3.37Å; E545-H555 WeakPolarHBondContact O-CA 3.42Å; E545-R556 HydrophobicContact CB-CB 4.28Å; E545-R556 PolarHBondContact N-O 3.23Å; E545-R556 PolarHBondContact O-N 2.83Å; E545-R556 IonicContact OE2-CZ 2.6Å; E545-R556 IonicContact OE2-NH1 3.59Å; E545-R556 PolarHBondContact OE2-NH1 2.95Å
546V79.9Confident68.1Low48 Ų4877.9 Ų77.929%0.29137%0.369SS..EExtended strand (participates in β ladder)trans-91.8105.3175-1720000111.5E544 F553 K567E544-V546 HydrophobicContact CG-CG2 4.09Å; E544-V546 PolarHBondContact O-N 3.48Å; E544-V546 VanDerWaalsContact O-N 3.14Å; V546-F553 HydrophobicContact CG1-CB 4Å; V546-F553 HydrophobicContact CG1-CD1 3.98Å; V546-F553 HydrophobicContact CG1-CG 4.27Å; V546-K567 HydrophobicContact CG1-CG 4.18Å
547I81.6Confident69Low65 Ų6576.3 Ų76.333%0.33335%0.352SS..EExtended strand (participates in β ladder)trans-100.6134.5179.9-59.2171.5000109.6F553 L554I547-F553 CarbonylContact O-C 3.57Å; I547-F553 VanDerWaalsContact O-CA 3.29Å; I547-F553 WeakPolarHBondContact O-CA 3.38Å; I547-L554 HydrophobicContact CB-CB 4.37Å; I547-L554 WeakPolarHBondContact CB-O 3.46Å; I547-L554 PolarHBondContact N-O 3.45Å; I547-L554 PolarHBondContact O-N 3.14Å
548R80.6Confident69.1Low198 Ų19874.4 Ų74.475%0.74736%0.36SS*.EExtended strand (participates in β ladder)trans-85.2126.9177.1-174.4173.2-178.8-111.8-5.9111.7F553R548-F553 HydrophobicContact CB-CD1 4.01Å; R548-F553 HydrophobicContact CB-CE1 3.94Å; R548-F553 HydrophobicContact CG-CD1 4.22Å; R548-F553 HydrophobicContact CG-CE1 3.86Å; R548-F553 HydrophobicContact CG-CZ 4.47Å
549E80.4Confident68.6Low68 Ų6871.9 Ų71.932%0.31836%0.362SS..  trans-105.1-174.5169.9-68.5-166.2157.800111.3G552 L554 K563E549-G552 PolarHBondContact N-O 3Å; E549-L554 HydrophobicContact CG-CB 4.11Å; E549-K563 WeakPolarHBondContact OE1-CE 3.23Å; E549-K563 IonicContact OE1-NZ 3.34Å; E549-K563 PolarHBondContact OE1-NZ 3.5Å; E549-K563 WeakPolarHBondContact OE2-CE 3.28Å; E549-K563 IonicContact OE2-NZ 3.7Å; E549-K563 PolarHBondContact OE2-NZ 3.18Å
550N73.8Confident68.4Low155 Ų15571.9 Ų71.983%0.82936%0.362SS*.SBendtrans-67-45.4178.7-70.6-17.8000112.3
551D71.9Confident68.4Low158 Ų15868.2 Ų68.285%0.84535%0.35SS*.SBendtrans-109.912.9-169.7-56.1-63.4000113.2
552G78.6Confident68.7Low14 Ų1467 Ų6714%0.14435%0.345CS..SBendtrans164.6-148.7-178.500000113.5E549 S564E549-G552 PolarHBondContact N-O 3Å; G552-S564 WeakPolarHBondContact CA-O 3.49Å
553F78.3Confident69.2Low39 Ų3965.6 Ų65.617%0.17134%0.338CS..EExtended strand (participates in β ladder)trans-127.2138.9177.4-59.6-92.8000109.9V546 I547 R548 H555 K563 S564 Y566 K567V546-F553 HydrophobicContact CG1-CB 4Å; V546-F553 HydrophobicContact CG1-CD1 3.98Å; V546-F553 HydrophobicContact CG1-CG 4.27Å; I547-F553 CarbonylContact O-C 3.57Å; I547-F553 VanDerWaalsContact O-CA 3.29Å; I547-F553 WeakPolarHBondContact O-CA 3.38Å; R548-F553 HydrophobicContact CB-CD1 4.01Å; R548-F553 HydrophobicContact CB-CE1 3.94Å; R548-F553 HydrophobicContact CG-CD1 4.22Å; R548-F553 HydrophobicContact CG-CE1 3.86Å; R548-F553 HydrophobicContact CG-CZ 4.47Å; F553-H555 PolarHBondContact O-CD2 3.4Å; F553-K563 CarbonylContact O-C 3.46Å; F553-K563 VanDerWaalsContact O-CA 3.32Å; F553-K563 WeakPolarHBondContact O-CA 3.23Å; F553-S564 PolarHBondContact N-O 3.39Å; F553-S564 PolarHBondContact O-N 2.99Å; F553-Y566 VanDerWaalsContact CD2-O 3.25Å; F553-Y566 WeakPolarHBondContact CD2-O 3.46Å; F553-Y566 WeakPolarHBondContact CG-O 3.28Å; F553-K567 HydrophobicContact CD1-CB 4.13Å; F553-K567 HydrophobicContact CD1-CG 3.98Å; F553-K567 HydrophobicContact CD2-CB 4.39Å; F553-K567 HydrophobicContact CE1-CB 3.74Å; F553-K567 HydrophobicContact CE1-CG 3.6Å; F553-K567 HydrophobicContact CE2-CB 4.03Å; F553-K567 HydrophobicContact CG-CB 4.45Å; F553-K567 HydrophobicContact CZ-CB 3.68Å; F553-K567 HydrophobicContact CZ-CG 4.05Å
554L77.7Confident69.6Low21 Ų2163.3 Ų63.311%0.1133%0.326CS..EExtended strand (participates in β ladder)trans-99.6114.7169.6172.569.3000107.4I547 E549 K563 V598I547-L554 HydrophobicContact CB-CB 4.37Å; I547-L554 WeakPolarHBondContact CB-O 3.46Å; I547-L554 PolarHBondContact N-O 3.45Å; I547-L554 PolarHBondContact O-N 3.14Å; E549-L554 HydrophobicContact CG-CB 4.11Å; L554-K563 HydrophobicContact CD1-CG 4.11Å; L554-V598 HydrophobicContact CD1-CG2 3.92Å
555H74.9Confident69.7Low0 Ų069.7 Ų69.70%035%0.349CS..EExtended strand (participates in β ladder)trans-96.8140.3176.6-54.2-115.2000107.9E544 E545 F553 S561 W562 S564 Y566 E568E544-H555 HydrophobicContact CG-CB 4.2Å; E544-H555 IonicContact OE1-CE1 3.2Å; E544-H555 IonicContact OE1-CG 2.89Å; E544-H555 IonicContact OE1-ND1 2.68Å; E544-H555 PolarHBondContact OE1-ND1 3.04Å; E545-H555 CarbonylContact O-C 3.37Å; E545-H555 WeakPolarHBondContact O-CA 3.42Å; F553-H555 PolarHBondContact O-CD2 3.4Å; H555-S561 CarbonylContact O-C 3.59Å; H555-S561 WeakPolarHBondContact O-CA 3.47Å; H555-S561 VanDerWaalsContact O-CB 3.26Å; H555-S561 WeakPolarHBondContact O-CB 3.25Å; H555-W562 HydrophobicContact CB-CD2 3.65Å; H555-W562 HydrophobicContact CB-CE3 4.03Å; H555-W562 HydrophobicContact CB-CG 4.22Å; H555-W562 HydrophobicContact CB-CH2 3.85Å; H555-W562 HydrophobicContact CB-CZ2 3.42Å; H555-W562 VanDerWaalsContact CB-CZ2 3.42Å; H555-W562 HydrophobicContact CB-CZ3 4.12Å; H555-W562 AromaticContact CD2-NE1 3.9Å; H555-W562 AromaticContact CG-CE2 3.82Å; H555-W562 AromaticContact CG-NE1 3.68Å; H555-W562 PolarHBondContact N-O 2.92Å; H555-W562 PolarHBondContact O-N 2.88Å; H555-S564 WeakPolarHBondContact NE2-CB 3.48Å; H555-S564 PolarHBondContact NE2-OG 3.48Å; H555-Y566 PolarHBondContact CE1-O 2.9Å; H555-Y566 VanDerWaalsContact CE1-O 3.26Å; H555-Y566 PolarHBondContact NE2-O 3.18Å; H555-Y566 VanDerWaalsContact NE2-O 3.13Å; H555-E568 PolarHBondContact CE1-O 2.98Å
556R64.3Low69.4Low97 Ų9768.5 Ų68.537%0.36634%0.341SS..EExtended strand (participates in β ladder)trans-143.4132.5-178.7173.8-164.5-58.7139.81.5110.6E544 E545 F560E544-R556 CarbonylContact C-O 3.5Å; E544-R556 WeakPolarHBondContact CA-O 3.27Å; E545-R556 HydrophobicContact CB-CB 4.28Å; E545-R556 PolarHBondContact N-O 3.23Å; E545-R556 PolarHBondContact O-N 2.83Å; E545-R556 IonicContact OE2-CZ 2.6Å; E545-R556 IonicContact OE2-NH1 3.59Å; E545-R556 PolarHBondContact OE2-NH1 2.95Å; R556-F560 WeakPolarHBondContact CA-O 3.29Å
557C63.7Low69.1Low7 Ų773.3 Ų73.35%0.04736%0.358CS..  trans-107.9174.5165-64.40000109.8W541 D543 S559 F560W541-C557 WeakPolarHBondContact CB-SG 3.06Å; D543-C557 VanDerWaalsContact OD1-CB 3.3Å; D543-C557 WeakPolarHBondContact OD1-CB 3.22Å; D543-C557 PolarHBondContact OD1-SG 3.36Å; C557-S559 PolarHBondContact O-N 2.77Å; C557-S559 VanDerWaalsContact O-N 3.17Å; C557-F560 HydrophobicContact CB-CD1 4.48Å; C557-F560 HydrophobicContact CB-CE1 4.29Å; C557-F560 HydrophobicContact CB-CZ 4.45Å; C557-F560 PolarHBondContact N-O 3.05Å; C557-F560 VanDerWaalsContact O-O 3.13Å
558S50.5Low68.5Low106 Ų10675.2 Ų75.274%0.74137%0.365SS*.SBendtrans-45-41.9172.946.10000113.9D543D543-S558 WeakPolarHBondContact OD2-CB 3.2Å; D543-S558 PolarHBondContact OD2-N 2.9Å; D543-S558 PolarHBondContact OD2-OG 3.31Å
559S46.6Very low67.9Low87 Ų8769.1 Ų69.161%0.60835%0.351SS*.SBendtrans-105.8-15.9-171.544.20000115.5C557C557-S559 PolarHBondContact O-N 2.77Å; C557-S559 VanDerWaalsContact O-N 3.17Å
560F55.1Low67.1Low24 Ų2465.9 Ų65.911%0.10534%0.336CS..  trans-158.5170.6-176.861.5-87000114.6W541 R556 C557 W562 F572 Y607W541-F560 HydrophobicContact CD2-CZ 4.42Å; W541-F560 AromaticContact NE1-CE1 3.75Å; W541-F560 AromaticContact NE1-CZ 3.79Å; R556-F560 WeakPolarHBondContact CA-O 3.29Å; C557-F560 HydrophobicContact CB-CD1 4.48Å; C557-F560 HydrophobicContact CB-CE1 4.29Å; C557-F560 HydrophobicContact CB-CZ 4.45Å; C557-F560 PolarHBondContact N-O 3.05Å; C557-F560 VanDerWaalsContact O-O 3.13Å; F560-W562 AromaticContact CD2-CE3 3.5Å; F560-W562 HydrophobicContact CD2-CE3 3.5Å; F560-W562 VanDerWaalsContact CD2-CE3 3.5Å; F560-W562 AromaticContact CD2-CZ3 3.57Å; F560-W562 HydrophobicContact CD2-CZ3 3.57Å; F560-W562 HydrophobicContact CE2-CD2 4.45Å; F560-W562 AromaticContact CE2-CE3 3.45Å; F560-W562 HydrophobicContact CE2-CE3 3.45Å; F560-W562 VanDerWaalsContact CE2-CE3 3.45Å; F560-W562 HydrophobicContact CE2-CH2 4.02Å; F560-W562 AromaticContact CE2-CZ3 3.2Å; F560-W562 HydrophobicContact CE2-CZ3 3.2Å; F560-W562 HydrophobicContact CZ-CZ3 4.1Å; F560-F572 HydrophobicContact CE2-CZ 4.3Å; F560-Y607 HydrophobicContact CB-CD1 4.37Å; F560-Y607 HydrophobicContact CB-CE1 3.62Å; F560-Y607 HydrophobicContact CB-CE2 3.93Å; F560-Y607 VanDerWaalsContact CB-CZ 3.41Å; F560-Y607 WeakPolarHBondContact CB-OH 3.36Å; F560-Y607 HydrophobicContact CD1-CD2 4.23Å; F560-Y607 HydrophobicContact CD1-CE2 4.27Å; F560-Y607 HydrophobicContact CD1-CG 4.42Å; F560-Y607 AromaticContact CD2-CD2 3.72Å; F560-Y607 HydrophobicContact CD2-CD2 3.72Å; F560-Y607 HydrophobicContact CD2-CE1 4.42Å; F560-Y607 AromaticContact CD2-CE2 3.14Å; F560-Y607 HydrophobicContact CD2-CE2 3.14Å; F560-Y607 AromaticContact CD2-CZ 3.6Å; F560-Y607 HydrophobicContact CE1-CD2 4.31Å; F560-Y607 AromaticContact CE2-CD2 3.79Å; F560-Y607 HydrophobicContact CE2-CD2 3.79Å; F560-Y607 AromaticContact CE2-CE2 3.6Å; F560-Y607 HydrophobicContact CE2-CE2 3.6Å; F560-Y607 HydrophobicContact CG-CD1 4.37Å; F560-Y607 AromaticContact CG-CD2 3.96Å; F560-Y607 HydrophobicContact CG-CD2 3.96Å; F560-Y607 AromaticContact CG-CE1 3.99Å; F560-Y607 HydrophobicContact CG-CE1 3.99Å; F560-Y607 AromaticContact CG-CE2 3.54Å; F560-Y607 HydrophobicContact CG-CE2 3.54Å; F560-Y607 HydrophobicContact CG-CG 4.41Å; F560-Y607 AromaticContact CG-CZ 3.6Å; F560-Y607 HydrophobicContact CZ-CD2 4.11Å; F560-Y607 HydrophobicContact CZ-CE2 4.35Å
561S60.2Low66.7Low30 Ų3059.1 Ų59.121%0.2130%0.3CS..EExtended strand (participates in β ladder)trans-149.1144.2175.466.60000112.7H555 V598H555-S561 CarbonylContact O-C 3.59Å; H555-S561 WeakPolarHBondContact O-CA 3.47Å; H555-S561 VanDerWaalsContact O-CB 3.26Å; H555-S561 WeakPolarHBondContact O-CB 3.25Å; S561-V598 WeakPolarHBondContact O-CG2 3.5Å
562W68.7Low66.4Low2 Ų251.9 Ų51.91%0.00826%0.261CS..EExtended strand (participates in β ladder)trans-140.2161-178.666102.9000112.1E544 H555 F560 T570 F572 I595E544-W562 HydrophobicContact CG-CH2 3.74Å; E544-W562 HydrophobicContact CG-CZ2 4.01Å; E544-W562 WeakPolarHBondContact OE1-CZ2 3.45Å; H555-W562 HydrophobicContact CB-CD2 3.65Å; H555-W562 HydrophobicContact CB-CE3 4.03Å; H555-W562 HydrophobicContact CB-CG 4.22Å; H555-W562 HydrophobicContact CB-CH2 3.85Å; H555-W562 HydrophobicContact CB-CZ2 3.42Å; H555-W562 VanDerWaalsContact CB-CZ2 3.42Å; H555-W562 HydrophobicContact CB-CZ3 4.12Å; H555-W562 AromaticContact CD2-NE1 3.9Å; H555-W562 AromaticContact CG-CE2 3.82Å; H555-W562 AromaticContact CG-NE1 3.68Å; H555-W562 PolarHBondContact N-O 2.92Å; H555-W562 PolarHBondContact O-N 2.88Å; F560-W562 AromaticContact CD2-CE3 3.5Å; F560-W562 HydrophobicContact CD2-CE3 3.5Å; F560-W562 VanDerWaalsContact CD2-CE3 3.5Å; F560-W562 AromaticContact CD2-CZ3 3.57Å; F560-W562 HydrophobicContact CD2-CZ3 3.57Å; F560-W562 HydrophobicContact CE2-CD2 4.45Å; F560-W562 AromaticContact CE2-CE3 3.45Å; F560-W562 HydrophobicContact CE2-CE3 3.45Å; F560-W562 VanDerWaalsContact CE2-CE3 3.45Å; F560-W562 HydrophobicContact CE2-CH2 4.02Å; F560-W562 AromaticContact CE2-CZ3 3.2Å; F560-W562 HydrophobicContact CE2-CZ3 3.2Å; F560-W562 HydrophobicContact CZ-CZ3 4.1Å; W562-T570 HydrophobicContact CZ2-CG2 4.4Å; W562-T570 WeakPolarHBondContact CZ2-OG1 3.36Å; W562-T570 PolarHBondContact NE1-OG1 3.48Å; W562-F572 HydrophobicContact CD2-CZ 4.36Å; W562-F572 AromaticContact CE2-CZ 3.93Å; W562-F572 HydrophobicContact CH2-CE2 4.2Å; W562-F572 HydrophobicContact CH2-CZ 4.21Å; W562-F572 AromaticContact CZ2-CE2 3.94Å; W562-F572 HydrophobicContact CZ2-CE2 3.94Å; W562-F572 AromaticContact CZ2-CZ 3.87Å; W562-F572 HydrophobicContact CZ2-CZ 3.87Å; W562-I595 HydrophobicContact CB-CG2 3.95Å; W562-I595 HydrophobicContact CG-CD1 4.42Å; W562-I595 HydrophobicContact CG-CG2 4.38Å
563K65.4Low65.4Low72 Ų7252.8 Ų52.831%0.31326%0.264SS..EExtended strand (participates in β ladder)trans-100.2148172-58.2-166.5178-1590111.1E549 F553 L554 D594 Y596 V598E549-K563 WeakPolarHBondContact OE1-CE 3.23Å; E549-K563 IonicContact OE1-NZ 3.34Å; E549-K563 PolarHBondContact OE1-NZ 3.5Å; E549-K563 WeakPolarHBondContact OE2-CE 3.28Å; E549-K563 IonicContact OE2-NZ 3.7Å; E549-K563 PolarHBondContact OE2-NZ 3.18Å; F553-K563 CarbonylContact O-C 3.46Å; F553-K563 VanDerWaalsContact O-CA 3.32Å; F553-K563 WeakPolarHBondContact O-CA 3.23Å; L554-K563 HydrophobicContact CD1-CG 4.11Å; K563-D594 VanDerWaalsContact O-O 3.07Å; K563-Y596 PolarHBondContact N-O 2.72Å; K563-V598 HydrophobicContact CG-CG2 4.31Å
564S69.1Low64.3Low6 Ų651.3 Ų51.34%0.04226%0.259CS..EExtended strand (participates in β ladder)trans-144.2171.8167.3104.20000110.4G552 F553 H555 Y566G552-S564 WeakPolarHBondContact CA-O 3.49Å; F553-S564 PolarHBondContact N-O 3.39Å; F553-S564 PolarHBondContact O-N 2.99Å; H555-S564 WeakPolarHBondContact NE2-CB 3.48Å; H555-S564 PolarHBondContact NE2-OG 3.48Å; S564-Y566 PolarHBondContact OG-N 2.95Å; S564-Y566 PolarHBondContact OG-O 2.82Å
565R67.6Low63.2Low157 Ų15752.3 Ų52.359%0.59227%0.266SS*.SBendtrans-87.1-5.9174.8-55.2-176.6-169.1-142.87.6113.6D594R565-D594 IonicContact CZ-OD2 2.98Å; R565-D594 IonicContact NE-OD2 3.92Å; R565-D594 PolarHBondContact NE-OD2 3.39Å; R565-D594 IonicContact NH2-OD2 3.78Å; R565-D594 PolarHBondContact NH2-OD2 3.42Å
566Y68Low62.1Low84 Ų8455.6 Ų55.633%0.32929%0.286SS..  trans-124.4153.4-167-57.9-86.8000111.9F553 H555 S564 E568 K592F553-Y566 VanDerWaalsContact CD2-O 3.25Å; F553-Y566 WeakPolarHBondContact CD2-O 3.46Å; F553-Y566 WeakPolarHBondContact CG-O 3.28Å; H555-Y566 PolarHBondContact CE1-O 2.9Å; H555-Y566 VanDerWaalsContact CE1-O 3.26Å; H555-Y566 PolarHBondContact NE2-O 3.18Å; H555-Y566 VanDerWaalsContact NE2-O 3.13Å; S564-Y566 PolarHBondContact OG-N 2.95Å; S564-Y566 PolarHBondContact OG-O 2.82Å; Y566-E568 VanDerWaalsContact C-N 3.34Å; Y566-K592 WeakPolarHBondContact CD2-O 3.44Å; Y566-K592 HydrophobicContact CE2-CB 4.46Å; Y566-K592 HydrophobicContact CE2-CG 4.34Å; Y566-K592 WeakPolarHBondContact CE2-O 3.35Å
567K75Confident61.2Low150 Ų15055.2 Ų55.265%0.65229%0.288SS*.SBendtrans-88.6-3.5-178.7-161-140.1167.9-167.60113.3V546 F553V546-K567 HydrophobicContact CG1-CG 4.18Å; F553-K567 HydrophobicContact CD1-CB 4.13Å; F553-K567 HydrophobicContact CD1-CG 3.98Å; F553-K567 HydrophobicContact CD2-CB 4.39Å; F553-K567 HydrophobicContact CE1-CB 3.74Å; F553-K567 HydrophobicContact CE1-CG 3.6Å; F553-K567 HydrophobicContact CE2-CB 4.03Å; F553-K567 HydrophobicContact CG-CB 4.45Å; F553-K567 HydrophobicContact CZ-CB 3.68Å; F553-K567 HydrophobicContact CZ-CG 4.05Å
568E68.3Low60.1Low105 Ų10562.5 Ų62.549%0.49132%0.322SS..SBendtrans-81.7142.7-173.7-68.2167.3179.600109.7H555 Y566 T570H555-E568 PolarHBondContact CE1-O 2.98Å; Y566-E568 VanDerWaalsContact C-N 3.34Å; E568-T570 PolarHBondContact O-N 3.22Å
569P67.9Low59.4Low70 Ų7063.1 Ų63.146%0.45531%0.313SS..PPolyproline II helixtrans-51.3138.2172.9-2836.3000111.4F540 E544 P571F540-P569 HydrophobicContact CD1-CB 4.01Å; E544-P569 WeakPolarHBondContact OE1-CA 3.48Å; E544-P569 WeakPolarHBondContact OE2-CA 3.5Å; P569-P571 VanDerWaalsContact O-CD 3.27Å; P569-P571 WeakPolarHBondContact O-CD 3.46Å
570T63.7Low59.1Low0 Ų062.9 Ų62.90%030%0.301CS..PPolyproline II helixtrans-83.3116.9-172-58.50000110.1E544 W562 E568 F572 P585 Y593 I595E544-T570 PolarHBondContact OE1-N 3.05Å; E544-T570 VanDerWaalsContact OE1-N 3.13Å; E544-T570 PolarHBondContact OE2-N 3.18Å; W562-T570 HydrophobicContact CZ2-CG2 4.4Å; W562-T570 WeakPolarHBondContact CZ2-OG1 3.36Å; W562-T570 PolarHBondContact NE1-OG1 3.48Å; E568-T570 PolarHBondContact O-N 3.22Å; T570-F572 HydrophobicContact CG2-CD2 4.3Å; T570-F572 HydrophobicContact CG2-CE1 4.23Å; T570-F572 HydrophobicContact CG2-CE2 3.77Å; T570-F572 HydrophobicContact CG2-CZ 3.73Å; T570-F572 WeakPolarHBondContact O-CD2 3.49Å; T570-F572 WeakPolarHBondContact O-CE2 3.48Å; T570-P585 HydrophobicContact CG2-CB 4.47Å; T570-Y593 HydrophobicContact CG2-CD1 4.05Å; T570-Y593 HydrophobicContact CG2-CE1 4.45Å; T570-I595 HydrophobicContact CG2-CD1 3.79Å
571P65.9Low58.7Low12 Ų1262.6 Ų62.68%0.07830%0.301CS..PPolyproline II helixtrans-70.8134.6170.928.7-31.1000109.4Y538 F539 F540 P569 P586 Y593Y538-P571 HydrophobicContact CD1-CB 4.07Å; F539-P571 WeakPolarHBondContact O-CA 3.23Å; F540-P571 HydrophobicContact CD1-CB 4.36Å; F540-P571 HydrophobicContact CE1-CB 3.66Å; F540-P571 HydrophobicContact CE1-CG 4.3Å; F540-P571 HydrophobicContact CZ-CB 3.89Å; P569-P571 VanDerWaalsContact O-CD 3.27Å; P569-P571 WeakPolarHBondContact O-CD 3.46Å; P571-P586 HydrophobicContact CB-CG 4.31Å; P571-P586 HydrophobicContact CG-CG 3.79Å; P571-P586 WeakPolarHBondContact O-CD 3.21Å; P571-Y593 HydrophobicContact CG-CE1 4.41Å; P571-Y593 HydrophobicContact CG-CE2 3.98Å
572F64.3Low58.3Low6 Ų662.8 Ų62.83%0.02630%0.298CS..BIsolated β-bridgetrans-115.4143.9169.5-61.6-95.4000110.6F539 W541 F560 W562 T570 L583 I595F539-F572 PolarHBondContact N-O 3.41Å; F539-F572 PolarHBondContact O-N 2.9Å; W541-F572 AromaticContact CE3-CD2 3.54Å; W541-F572 HydrophobicContact CE3-CD2 3.54Å; W541-F572 AromaticContact CE3-CE2 3.94Å; W541-F572 HydrophobicContact CE3-CE2 3.94Å; W541-F572 HydrophobicContact CE3-CG 4.48Å; W541-F572 HydrophobicContact CH2-CB 4.43Å; W541-F572 HydrophobicContact CH2-CD2 4.33Å; W541-F572 HydrophobicContact CZ3-CB 3.92Å; W541-F572 AromaticContact CZ3-CD2 3.43Å; W541-F572 HydrophobicContact CZ3-CD2 3.43Å; W541-F572 VanDerWaalsContact CZ3-CD2 3.43Å; W541-F572 HydrophobicContact CZ3-CE2 4.22Å; W541-F572 AromaticContact CZ3-CG 3.95Å; W541-F572 HydrophobicContact CZ3-CG 3.95Å; F560-F572 HydrophobicContact CE2-CZ 4.3Å; W562-F572 HydrophobicContact CD2-CZ 4.36Å; W562-F572 AromaticContact CE2-CZ 3.93Å; W562-F572 HydrophobicContact CH2-CE2 4.2Å; W562-F572 HydrophobicContact CH2-CZ 4.21Å; W562-F572 AromaticContact CZ2-CE2 3.94Å; W562-F572 HydrophobicContact CZ2-CE2 3.94Å; W562-F572 AromaticContact CZ2-CZ 3.87Å; W562-F572 HydrophobicContact CZ2-CZ 3.87Å; T570-F572 HydrophobicContact CG2-CD2 4.3Å; T570-F572 HydrophobicContact CG2-CE1 4.23Å; T570-F572 HydrophobicContact CG2-CE2 3.77Å; T570-F572 HydrophobicContact CG2-CZ 3.73Å; T570-F572 WeakPolarHBondContact O-CD2 3.49Å; T570-F572 WeakPolarHBondContact O-CE2 3.48Å; F572-L583 HydrophobicContact CB-CB 4.33Å; F572-L583 HydrophobicContact CB-CD2 3.99Å; F572-L583 HydrophobicContact CD1-CB 3.98Å; F572-L583 HydrophobicContact CG-CB 4.42Å; F572-I595 HydrophobicContact CE1-CD1 3.95Å; F572-I595 HydrophobicContact CZ-CD1 4.31Å
573V58.2Low57.6Low33 Ų3363.1 Ų63.120%0.230%0.3CS..EExtended strand (participates in β ladder)trans-108.5129.7164.5-178.40000106.8Y538 K584Y538-V573 HydrophobicContact CD1-CG2 3.56Å; Y538-V573 HydrophobicContact CE1-CG2 3.39Å; V573-K584 PolarHBondContact N-O 2.72Å; V573-K584 PolarHBondContact O-N 2.87Å; V573-K584 VanDerWaalsContact O-O 3.1Å
574A55.9Low57.3Low8 Ų863.5 Ų63.57%0.06630%0.301CS..EExtended strand (participates in β ladder)trans-82.5117.5173.100000109.5V533 T581 L583V533-A574 HydrophobicContact CB-CB 4.11Å; V533-A574 HydrophobicContact CG1-CB 3.47Å; V533-A574 VanDerWaalsContact CG1-CB 3.47Å; V533-A574 HydrophobicContact CG2-CB 3.76Å; A574-T581 HydrophobicContact CB-CG2 4.07Å; A574-L583 HydrophobicContact CB-CD2 4Å
575V52.9Low56.8Low43 Ų4363.5 Ų63.526%0.26130%0.301SS..EExtended strand (participates in β ladder)trans-98125.1175.5-176.80000108.1T581 Y582 K584V575-T581 CarbonylContact O-C 3.57Å; V575-T581 WeakPolarHBondContact O-CA 3.47Å; V575-Y582 HydrophobicContact CB-CD1 3.9Å; V575-Y582 HydrophobicContact CB-CD2 4.49Å; V575-Y582 HydrophobicContact CB-CE1 3.54Å; V575-Y582 HydrophobicContact CB-CE2 4.15Å; V575-Y582 HydrophobicContact CB-CG 4.4Å; V575-Y582 HydrophobicContact CG1-CD1 4.26Å; V575-Y582 HydrophobicContact CG1-CE1 3.47Å; V575-Y582 VanDerWaalsContact CG1-CE1 3.47Å; V575-Y582 HydrophobicContact CG2-CE2 4.42Å; V575-Y582 PolarHBondContact N-O 2.67Å; V575-Y582 VanDerWaalsContact O-CD1 3.26Å; V575-Y582 WeakPolarHBondContact O-CD1 3.32Å; V575-Y582 PolarHBondContact O-N 3.43Å; V575-K584 HydrophobicContact CG2-CB 4.07Å; V575-K584 HydrophobicContact CG2-CD 4.14Å
576V51.7Low56.1Low69 Ų6957.5 Ų57.542%0.41828%0.283SS..EExtended strand (participates in β ladder)trans-100.5109.9176.2-173.20000108.1V533 K534 T581V533-V576 HydrophobicContact CG1-CG2 4.26Å; K534-V576 HydrophobicContact CG-CG2 4.11Å; V576-T581 HydrophobicContact CG2-CG2 4.15Å
577E45.6Very low55.2Low88 Ų8860.5 Ų60.541%0.41130%0.298SS..EExtended strand (participates in β ladder)trans-96.3170.8165.9-80.4174-147.400109.6E579 F580 Y582E577-E579 PolarHBondContact O-N 2.99Å; E577-F580 HydrophobicContact CB-CD2 4.32Å; E577-F580 HydrophobicContact CB-CE2 3.93Å; E577-F580 HydrophobicContact CB-CZ 4.15Å; E577-F580 HydrophobicContact CG-CE2 4.4Å; E577-F580 PolarHBondContact N-O 2.85Å; E577-F580 PolarHBondContact O-N 3.49Å; E577-F580 WeakPolarHBondContact OE2-CE2 3.18Å; E577-F580 VanDerWaalsContact OE2-CZ 3.25Å; E577-F580 WeakPolarHBondContact OE2-CZ 3.42Å; E577-Y582 HydrophobicContact CG-CE1 3.95Å; E577-Y582 WeakPolarHBondContact OE1-CE1 3.41Å; E577-Y582 VanDerWaalsContact OE1-CZ 3.25Å; E577-Y582 PolarHBondContact OE1-OH 3.42Å
578E41.3Very low53.6Low160 Ų16055.5 Ų55.575%0.74828%0.278SS*.THydrogen-bonded Turntrans-52.4-25.5-175.9-65-170.114700113.8K686E578-K686 IonicContact OE1-NZ 2.86Å; E578-K686 PolarHBondContact OE1-NZ 3.39Å; E578-K686 IonicContact OE2-NZ 3.5Å; E578-K686 PolarHBondContact OE2-NZ 3.46Å
579E36.2Very low51.8Low120 Ų12057 Ų5756%0.56130%0.296SS*.THydrogen-bonded Turntrans-122.6-7.6-166.3-86-155.3-129.100115E577 K614E577-E579 PolarHBondContact O-N 2.99Å; E579-K614 VanDerWaalsContact CB-NZ 3.33Å; E579-K614 WeakPolarHBondContact O-CD 3.44Å; E579-K614 WeakPolarHBondContact O-CE 3.5Å; E579-K614 PolarHBondContact O-NZ 2.92Å; E579-K614 IonicContact OE2-NZ 3.75Å; E579-K614 PolarHBondContact OE2-NZ 2.81Å
580F40.8Very low50.2Low82 Ų8258.5 Ų58.536%0.3631%0.308SS..EExtended strand (participates in β ladder)trans-167.6145.9-176.743.2-91.9000112.5E577 Y582 L608E577-F580 HydrophobicContact CB-CD2 4.32Å; E577-F580 HydrophobicContact CB-CE2 3.93Å; E577-F580 HydrophobicContact CB-CZ 4.15Å; E577-F580 HydrophobicContact CG-CE2 4.4Å; E577-F580 PolarHBondContact N-O 2.85Å; E577-F580 PolarHBondContact O-N 3.49Å; E577-F580 WeakPolarHBondContact OE2-CE2 3.18Å; E577-F580 VanDerWaalsContact OE2-CZ 3.25Å; E577-F580 WeakPolarHBondContact OE2-CZ 3.42Å; F580-Y582 AromaticContact CD2-CD1 3.62Å; F580-Y582 HydrophobicContact CD2-CD1 3.62Å; F580-Y582 HydrophobicContact CD2-CE1 4.25Å; F580-Y582 HydrophobicContact CD2-CG 4.33Å; F580-Y582 AromaticContact CE2-CD1 3.67Å; F580-Y582 HydrophobicContact CE2-CD1 3.67Å; F580-Y582 AromaticContact CE2-CE1 3.85Å; F580-Y582 HydrophobicContact CE2-CE1 3.85Å; F580-Y582 HydrophobicContact CE2-CG 4.46Å; F580-L608 HydrophobicContact CB-CD2 3.47Å; F580-L608 VanDerWaalsContact CB-CD2 3.47Å; F580-L608 HydrophobicContact CG-CD2 4.45Å
581T46.4Very low49.2Very low18 Ų1859.8 Ų59.811%0.1132%0.321CS..EExtended strand (participates in β ladder)trans-93.9122.6162.1-59.60000108.6V533 A574 V575 V576 L608 I609V533-T581 HydrophobicContact CG1-CG2 4.43Å; A574-T581 HydrophobicContact CB-CG2 4.07Å; V575-T581 CarbonylContact O-C 3.57Å; V575-T581 WeakPolarHBondContact O-CA 3.47Å; V576-T581 HydrophobicContact CG2-CG2 4.15Å; T581-L608 WeakPolarHBondContact O-CA 3.35Å; T581-I609 HydrophobicContact CG2-CB 4.2Å; T581-I609 HydrophobicContact CG2-CD1 4.37Å; T581-I609 PolarHBondContact O-N 3.14Å
582Y51.4Low48.4Very low34 Ų3462.7 Ų62.713%0.13333%0.332CS..EExtended strand (participates in β ladder)trans-122.6136.6177.868.9-76.1000112.8V575 E577 F580 K584 Y607V575-Y582 HydrophobicContact CB-CD1 3.9Å; V575-Y582 HydrophobicContact CB-CD2 4.49Å; V575-Y582 HydrophobicContact CB-CE1 3.54Å; V575-Y582 HydrophobicContact CB-CE2 4.15Å; V575-Y582 HydrophobicContact CB-CG 4.4Å; V575-Y582 HydrophobicContact CG1-CD1 4.26Å; V575-Y582 HydrophobicContact CG1-CE1 3.47Å; V575-Y582 VanDerWaalsContact CG1-CE1 3.47Å; V575-Y582 HydrophobicContact CG2-CE2 4.42Å; V575-Y582 PolarHBondContact N-O 2.67Å; V575-Y582 VanDerWaalsContact O-CD1 3.26Å; V575-Y582 WeakPolarHBondContact O-CD1 3.32Å; V575-Y582 PolarHBondContact O-N 3.43Å; E577-Y582 HydrophobicContact CG-CE1 3.95Å; E577-Y582 WeakPolarHBondContact OE1-CE1 3.41Å; E577-Y582 VanDerWaalsContact OE1-CZ 3.25Å; E577-Y582 PolarHBondContact OE1-OH 3.42Å; F580-Y582 AromaticContact CD2-CD1 3.62Å; F580-Y582 HydrophobicContact CD2-CD1 3.62Å; F580-Y582 HydrophobicContact CD2-CE1 4.25Å; F580-Y582 HydrophobicContact CD2-CG 4.33Å; F580-Y582 AromaticContact CE2-CD1 3.67Å; F580-Y582 HydrophobicContact CE2-CD1 3.67Å; F580-Y582 AromaticContact CE2-CE1 3.85Å; F580-Y582 HydrophobicContact CE2-CE1 3.85Å; F580-Y582 HydrophobicContact CE2-CG 4.46Å; Y582-K584 HydrophobicContact CD2-CB 4.25Å; Y582-K584 HydrophobicContact CE2-CB 4.16Å; Y582-K584 HydrophobicContact CE2-CD 4.1Å; Y582-K584 HydrophobicContact CE2-CG 4.44Å; Y582-Y607 WeakPolarHBondContact CA-O 3.41Å
583L54.7Low47.6Very low9 Ų963.5 Ų63.55%0.04734%0.335CS..EExtended strand (participates in β ladder)trans-76.7127.2172.1-67.9169.3000110.4W541 F572 A574 Y607 I609W541-L583 HydrophobicContact CH2-CD1 3.45Å; W541-L583 VanDerWaalsContact CH2-CD1 3.45Å; W541-L583 HydrophobicContact CH2-CD2 3.85Å; W541-L583 HydrophobicContact CH2-CG 4.3Å; W541-L583 HydrophobicContact CZ2-CD1 3.51Å; F572-L583 HydrophobicContact CB-CB 4.33Å; F572-L583 HydrophobicContact CB-CD2 3.99Å; F572-L583 HydrophobicContact CD1-CB 3.98Å; F572-L583 HydrophobicContact CG-CB 4.42Å; A574-L583 HydrophobicContact CB-CD2 4Å; L583-Y607 PolarHBondContact N-O 3.14Å; L583-I609 HydrophobicContact CD1-CD1 4.16Å; L583-I609 HydrophobicContact CD1-CG1 4.47Å; L583-I609 HydrophobicContact CD2-CD1 4.02Å; L583-I609 HydrophobicContact CG-CD1 3.96Å; L583-I609 HydrophobicContact CG-CG1 4.41Å
584K58.8Low47.1Very low79 Ų7963.9 Ų63.934%0.34334%0.336SS..EExtended strand (participates in β ladder)trans-131131179.8-170.5-176.1-176.8171.20109.4V573 V575 Y582V573-K584 PolarHBondContact N-O 2.72Å; V573-K584 PolarHBondContact O-N 2.87Å; V573-K584 VanDerWaalsContact O-O 3.1Å; V575-K584 HydrophobicContact CG2-CB 4.07Å; V575-K584 HydrophobicContact CG2-CD 4.14Å; Y582-K584 HydrophobicContact CD2-CB 4.25Å; Y582-K584 HydrophobicContact CE2-CB 4.16Å; Y582-K584 HydrophobicContact CE2-CD 4.1Å; Y582-K584 HydrophobicContact CE2-CG 4.44Å
585P57.6Low46.9Very low7 Ų765 Ų655%0.04534%0.341CS..  trans-67.3150.5171.332.7-38.2000110.3T570 F587 Y593 I595T570-P585 HydrophobicContact CG2-CB 4.47Å; P585-F587 PolarHBondContact O-N 2.87Å; P585-Y593 HydrophobicContact CB-CG 4.13Å; P585-I595 HydrophobicContact CB-CD1 3.72Å; P585-I595 HydrophobicContact CB-CG1 4.4Å; P585-I595 HydrophobicContact CG-CB 4.44Å; P585-I595 HydrophobicContact CG-CD1 3.55Å; P585-I595 HydrophobicContact CG-CG1 3.96Å
586P53.1Low46.5Very low31 Ų3168.3 Ų68.320%0.20135%0.35CS..  trans-65.8111.4171.926.4-30.7000109.9Y538 P571 D588 Y593Y538-P586 HydrophobicContact CD1-CG 4.45Å; Y538-P586 HydrophobicContact CE1-CB 3.9Å; Y538-P586 HydrophobicContact CE1-CG 3.85Å; P571-P586 HydrophobicContact CB-CG 4.31Å; P571-P586 HydrophobicContact CG-CG 3.79Å; P571-P586 WeakPolarHBondContact O-CD 3.21Å; P586-D588 PolarHBondContact O-N 3.31Å; P586-Y593 HydrophobicContact CG-CD2 4.28Å; P586-Y593 HydrophobicContact CG-CE2 4.2Å; P586-Y593 WeakPolarHBondContact O-CD2 3.48Å
587F49.9Very low46.1Very low147 Ų14766.2 Ų66.265%0.64534%0.336SS*.  trans-67102.1165.5-88.3-101000108.8P585P585-F587 PolarHBondContact O-N 2.87Å
588D40.3Very low45.9Very low45 Ų4565.2 Ų65.224%0.24134%0.336CS..  trans-77160.3161.991-25.3000110.2P586 C590 G591 K592P586-D588 PolarHBondContact O-N 3.31Å; D588-C590 PolarHBondContact O-N 2.73Å; D588-C590 WeakPolarHBondContact OD1-CA 3.34Å; D588-C590 WeakPolarHBondContact OD1-CB 3.33Å; D588-C590 PolarHBondContact OD1-N 3.47Å; D588-C590 WeakPolarHBondContact OD2-CB 3.27Å; D588-C590 PolarHBondContact OD2-SG 3.48Å; D588-G591 PolarHBondContact O-N 3.26Å; D588-G591 PolarHBondContact OD1-N 3.26Å; D588-K592 WeakPolarHBondContact OD1-CB 3.35Å; D588-K592 PolarHBondContact OD1-N 2.74Å; D588-K592 WeakPolarHBondContact OD2-CG 3.46Å
589P31.3Very low45.9Very low135 Ų13566.2 Ų66.288%0.87734%0.34SS*.THydrogen-bonded Turntrans-64.3-2.7177-23.335.4000114.9
590C34.5Very low46.1Very low102 Ų10264 Ų6469%0.68934%0.335SS*.THydrogen-bonded Turntrans-99.3-11.2-178.8-42.60000112.9D588D588-C590 PolarHBondContact O-N 2.73Å; D588-C590 WeakPolarHBondContact OD1-CA 3.34Å; D588-C590 WeakPolarHBondContact OD1-CB 3.33Å; D588-C590 PolarHBondContact OD1-N 3.47Å; D588-C590 WeakPolarHBondContact OD2-CB 3.27Å; D588-C590 PolarHBondContact OD2-SG 3.48Å
591G42.6Very low45.9Very low27 Ų2765 Ų6528%0.27835%0.352SS..  trans77.331.1-173.800000113.9D588 Y593D588-G591 PolarHBondContact O-N 3.26Å; D588-G591 PolarHBondContact OD1-N 3.26Å; G591-Y593 PolarHBondContact O-N 2.87Å
592K48.3Very low45.5Very low73 Ų7370.6 Ų70.632%0.31738%0.375SS..THydrogen-bonded Turntrans-52.7-30.1-175.4-100.2-167.4168.6-152.10115.3Y566 D588Y566-K592 WeakPolarHBondContact CD2-O 3.44Å; Y566-K592 HydrophobicContact CE2-CB 4.46Å; Y566-K592 HydrophobicContact CE2-CG 4.34Å; Y566-K592 WeakPolarHBondContact CE2-O 3.35Å; D588-K592 WeakPolarHBondContact OD1-CB 3.35Å; D588-K592 PolarHBondContact OD1-N 2.74Å; D588-K592 WeakPolarHBondContact OD2-CG 3.46Å
593Y47.8Very low44.8Very low23 Ų2374 Ų749%0.0940%0.404CS..THydrogen-bonded Turntrans-127.964.1-172.4-57.7-74.8000111.7T570 P571 P585 P586 G591 I595T570-Y593 HydrophobicContact CG2-CD1 4.05Å; T570-Y593 HydrophobicContact CG2-CE1 4.45Å; P571-Y593 HydrophobicContact CG-CE1 4.41Å; P571-Y593 HydrophobicContact CG-CE2 3.98Å; P585-Y593 HydrophobicContact CB-CG 4.13Å; P586-Y593 HydrophobicContact CG-CD2 4.28Å; P586-Y593 HydrophobicContact CG-CE2 4.2Å; P586-Y593 WeakPolarHBondContact O-CD2 3.48Å; G591-Y593 PolarHBondContact O-N 2.87Å; Y593-I595 PolarHBondContact O-N 3.2Å
594D48.4Very low43.8Very low41 Ų4176 Ų7622%0.21942%0.416CS..  trans-60.479.8161.5-81.5-24.3000110.4K563 R565 Y596K563-D594 VanDerWaalsContact O-O 3.07Å; R565-D594 IonicContact CZ-OD2 2.98Å; R565-D594 IonicContact NE-OD2 3.92Å; R565-D594 PolarHBondContact NE-OD2 3.39Å; R565-D594 IonicContact NH2-OD2 3.78Å; R565-D594 PolarHBondContact NH2-OD2 3.42Å; D594-Y596 HydrophobicContact CB-CE2 3.92Å; D594-Y596 WeakPolarHBondContact O-CD2 3.31Å
595I50.3Low42.7Very low32 Ų3274 Ų7416%0.16442%0.419CS..  trans-84.6123.9178.5-69.1-166.3000110.6W562 T570 F572 P585 Y593W562-I595 HydrophobicContact CB-CG2 3.95Å; W562-I595 HydrophobicContact CG-CD1 4.42Å; W562-I595 HydrophobicContact CG-CG2 4.38Å; T570-I595 HydrophobicContact CG2-CD1 3.79Å; F572-I595 HydrophobicContact CE1-CD1 3.95Å; F572-I595 HydrophobicContact CZ-CD1 4.31Å; P585-I595 HydrophobicContact CB-CD1 3.72Å; P585-I595 HydrophobicContact CB-CG1 4.4Å; P585-I595 HydrophobicContact CG-CB 4.44Å; P585-I595 HydrophobicContact CG-CD1 3.55Å; P585-I595 HydrophobicContact CG-CG1 3.96Å; Y593-I595 PolarHBondContact O-N 3.2Å
596Y44.6Very low41.8Very low113 Ų11377.8 Ų77.844%0.44344%0.438SS..EExtended strand (participates in β ladder)trans-115.1128.9171.8-60.7-86.8000110.5K563 D594 V598K563-Y596 PolarHBondContact N-O 2.72Å; D594-Y596 HydrophobicContact CB-CE2 3.92Å; D594-Y596 WeakPolarHBondContact O-CD2 3.31Å; Y596-V598 PolarHBondContact O-N 2.58Å
597D44.1Very low41.5Very low24 Ų2479.7 Ų79.713%0.12844%0.442CS..EExtended strand (participates in β ladder)trans-69.9120.5167.6169.913.9000109.9Q599 T600 S601D597-Q599 VanDerWaalsContact C-N 3.25Å; D597-Q599 PolarHBondContact O-N 2.93Å; D597-Q599 WeakPolarHBondContact OD1-CB 3.22Å; D597-Q599 PolarHBondContact OD1-N 3.18Å; D597-T600 PolarHBondContact OD1-N 3.3Å; D597-T600 WeakPolarHBondContact OD2-CB 3.42Å; D597-T600 WeakPolarHBondContact OD2-CG2 3.47Å; D597-T600 PolarHBondContact OD2-N 3.39Å; D597-T600 VanDerWaalsContact OD2-N 3.1Å; D597-T600 PolarHBondContact OD2-OG1 3.34Å; D597-S601 WeakPolarHBondContact O-CA 3.38Å; D597-S601 PolarHBondContact O-N 2.96Å
598V41.4Very low40.8Very low67 Ų6778 Ų7841%0.40644%0.439SS..THydrogen-bonded Turntrans-69.9-21.2-177.5-1770000112.3L554 S561 K563 Y596L554-V598 HydrophobicContact CD1-CG2 3.92Å; S561-V598 WeakPolarHBondContact O-CG2 3.5Å; K563-V598 HydrophobicContact CG-CG2 4.31Å; Y596-V598 PolarHBondContact O-N 2.58Å
599Q40.7Very low40.6Very low182 Ų18278 Ų7885%0.8544%0.439SS*.THydrogen-bonded Turntrans-87.9-48.9177.2-59.9-169.39.300112.7D597D597-Q599 VanDerWaalsContact C-N 3.25Å; D597-Q599 PolarHBondContact O-N 2.93Å; D597-Q599 WeakPolarHBondContact OD1-CB 3.22Å; D597-Q599 PolarHBondContact OD1-N 3.18Å
600T41.7Very low40.7Very low72 Ų7275.1 Ų75.144%0.44242%0.416SS..THydrogen-bonded Turntrans-93-14.1-175.868.90000115.2D597 K602D597-T600 PolarHBondContact OD1-N 3.3Å; D597-T600 WeakPolarHBondContact OD2-CB 3.42Å; D597-T600 WeakPolarHBondContact OD2-CG2 3.47Å; D597-T600 PolarHBondContact OD2-N 3.39Å; D597-T600 VanDerWaalsContact OD2-N 3.1Å; D597-T600 PolarHBondContact OD2-OG1 3.34Å; T600-K602 PolarHBondContact O-N 3.24Å
601S36.9Very low40.5Very low104 Ų10477.9 Ų77.973%0.72742%0.416SS*.  trans56.224.3-175.1-56.20000114.6D597D597-S601 WeakPolarHBondContact O-CA 3.38Å; D597-S601 PolarHBondContact O-N 2.96Å
602K37Very low40.2Very low135 Ų13582.5 Ų82.559%0.58743%0.434SS*.SBendtrans-104.7150.6177.1-69176.6-178.9176.20111.3T600 T604T600-K602 PolarHBondContact O-N 3.24Å; K602-T604 HydrophobicContact CB-CG2 3.97Å; K602-T604 PolarHBondContact O-N 3.05Å; K602-T604 PolarHBondContact O-OG1 3.13Å
603S35.7Very low39.7Very low107 Ų10781.8 Ų81.875%0.74844%0.439SS*.  trans-79.271.1170.1580000110
604T35.2Very low39Very low49 Ų4983.9 Ų83.930%0.30145%0.448SS..  trans-125.8113.6-174.439.60000110.4K602 L606K602-T604 HydrophobicContact CB-CG2 3.97Å; K602-T604 PolarHBondContact O-N 3.05Å; K602-T604 PolarHBondContact O-OG1 3.13Å; T604-L606 PolarHBondContact O-N 2.99Å; T604-L606 VanDerWaalsContact O-N 3.13Å
605G34.8Very low38.4Very low39 Ų3986.7 Ų86.740%0.40246%0.463SS..  trans-68.3105.7167.500000109.2
606L40Very low37.9Very low86 Ų8686.7 Ų86.745%0.4546%0.463SS..  trans-146117.3-174.9-82.2171.5000108.8T604T604-L606 PolarHBondContact O-N 2.99Å; T604-L606 VanDerWaalsContact O-N 3.13Å
607Y46.5Very low37.7Very low71 Ų7185 Ų8528%0.27846%0.461SS..  -149.7119.9129.2-75.5-61.3000107.6F560 Y582 L583 I609F560-Y607 HydrophobicContact CB-CD1 4.37Å; F560-Y607 HydrophobicContact CB-CE1 3.62Å; F560-Y607 HydrophobicContact CB-CE2 3.93Å; F560-Y607 VanDerWaalsContact CB-CZ 3.41Å; F560-Y607 WeakPolarHBondContact CB-OH 3.36Å; F560-Y607 HydrophobicContact CD1-CD2 4.23Å; F560-Y607 HydrophobicContact CD1-CE2 4.27Å; F560-Y607 HydrophobicContact CD1-CG 4.42Å; F560-Y607 AromaticContact CD2-CD2 3.72Å; F560-Y607 HydrophobicContact CD2-CD2 3.72Å; F560-Y607 HydrophobicContact CD2-CE1 4.42Å; F560-Y607 AromaticContact CD2-CE2 3.14Å; F560-Y607 HydrophobicContact CD2-CE2 3.14Å; F560-Y607 AromaticContact CD2-CZ 3.6Å; F560-Y607 HydrophobicContact CE1-CD2 4.31Å; F560-Y607 AromaticContact CE2-CD2 3.79Å; F560-Y607 HydrophobicContact CE2-CD2 3.79Å; F560-Y607 AromaticContact CE2-CE2 3.6Å; F560-Y607 HydrophobicContact CE2-CE2 3.6Å; F560-Y607 HydrophobicContact CG-CD1 4.37Å; F560-Y607 AromaticContact CG-CD2 3.96Å; F560-Y607 HydrophobicContact CG-CD2 3.96Å; F560-Y607 AromaticContact CG-CE1 3.99Å; F560-Y607 HydrophobicContact CG-CE1 3.99Å; F560-Y607 AromaticContact CG-CE2 3.54Å; F560-Y607 HydrophobicContact CG-CE2 3.54Å; F560-Y607 HydrophobicContact CG-CG 4.41Å; F560-Y607 AromaticContact CG-CZ 3.6Å; F560-Y607 HydrophobicContact CZ-CD2 4.11Å; F560-Y607 HydrophobicContact CZ-CE2 4.35Å; Y582-Y607 WeakPolarHBondContact CA-O 3.41Å; L583-Y607 PolarHBondContact N-O 3.14Å; Y607-I609 PolarHBondContact O-N 2.96Å
608L34.5Very low38.1Very low110 Ų11089.5 Ų89.558%0.57649%0.489SS*.EExtended strand (participates in β ladder)trans-69.4117.8176.7-86.4145.8000109.6F580 T581F580-L608 HydrophobicContact CB-CD2 3.47Å; F580-L608 VanDerWaalsContact CB-CD2 3.47Å; F580-L608 HydrophobicContact CG-CD2 4.45Å; T581-L608 WeakPolarHBondContact O-CA 3.35Å
609I35.9Very low39.2Very low47 Ų4789.9 Ų89.924%0.24149%0.485CS..EExtended strand (participates in β ladder)trans-91.7125164.3-58.3179.4000107.9T581 L583 Y607T581-I609 HydrophobicContact CG2-CB 4.2Å; T581-I609 HydrophobicContact CG2-CD1 4.37Å; T581-I609 PolarHBondContact O-N 3.14Å; L583-I609 HydrophobicContact CD1-CD1 4.16Å; L583-I609 HydrophobicContact CD1-CG1 4.47Å; L583-I609 HydrophobicContact CD2-CD1 4.02Å; L583-I609 HydrophobicContact CG-CD1 3.96Å; L583-I609 HydrophobicContact CG-CG1 4.41Å; Y607-I609 PolarHBondContact O-N 2.96Å
610N33.6Very low41.3Very low73 Ų7384 Ų8439%0.3946%0.457SS..  trans68.1113-174.6-152.3-26.3000114D612 S613N610-D612 PolarHBondContact OD1-N 2.81Å; N610-D612 VanDerWaalsContact OD1-N 3.08Å; N610-S613 VanDerWaalsContact CG-OG 3.25Å; N610-S613 WeakPolarHBondContact ND2-CB 2.97Å; N610-S613 PolarHBondContact ND2-OG 2.87Å; N610-S613 WeakPolarHBondContact OD1-CB 3.36Å; N610-S613 PolarHBondContact OD1-N 3.45Å; N610-S613 PolarHBondContact OD1-OG 3.12Å
611K31.3Very low43.6Very low160 Ų16080.9 Ų80.970%0.69644%0.439SS*.SBendtrans-101.2-25.5174-151.6-179.2-177.6-169.60111.2
612D35.6Very low46.3Very low124 Ų12476.1 Ų76.166%0.66341%0.405SS*.THydrogen-bonded Turntrans-97.1-21.9-158.4-40.6-77.4000111.1N610 K614N610-D612 PolarHBondContact OD1-N 2.81Å; N610-D612 VanDerWaalsContact OD1-N 3.08Å; D612-K614 PolarHBondContact O-N 3.33Å; D612-K614 VanDerWaalsContact O-N 3.1Å
613S37Very low49Very low58 Ų5870 Ų7041%0.40638%0.378SS..THydrogen-bonded Turntrans-73.915.4167.375.40000114.3N610 H616N610-S613 VanDerWaalsContact CG-OG 3.25Å; N610-S613 WeakPolarHBondContact ND2-CB 2.97Å; N610-S613 PolarHBondContact ND2-OG 2.87Å; N610-S613 WeakPolarHBondContact OD1-CB 3.36Å; N610-S613 PolarHBondContact OD1-N 3.45Å; N610-S613 PolarHBondContact OD1-OG 3.12Å; S613-H616 PolarHBondContact O-CE1 3.46Å; S613-H616 VanDerWaalsContact O-CE1 3.25Å
614K34.2Very low51.7Low67 Ų6765.9 Ų65.929%0.29135%0.347SS..THydrogen-bonded Turntrans-131.2-21.4-175.7-148.6-176.5175.5-1710115.1E579 D612 H616 L617E579-K614 VanDerWaalsContact CB-NZ 3.33Å; E579-K614 WeakPolarHBondContact O-CD 3.44Å; E579-K614 WeakPolarHBondContact O-CE 3.5Å; E579-K614 PolarHBondContact O-NZ 2.92Å; E579-K614 IonicContact OE2-NZ 3.75Å; E579-K614 PolarHBondContact OE2-NZ 2.81Å; D612-K614 PolarHBondContact O-N 3.33Å; D612-K614 VanDerWaalsContact O-N 3.1Å; K614-H616 PolarHBondContact O-N 3.42Å; K614-L617 HydrophobicContact CG-CB 4.43Å; K614-L617 HydrophobicContact CG-CD1 4.23Å; K614-L617 WeakPolarHBondContact O-CB 3.37Å; K614-L617 PolarHBondContact O-N 2.97Å
615D35.6Very low54.5Low100 Ų10064.8 Ų64.854%0.53534%0.338SS..Hα-helixtrans-55.8-39.9172.8-92.621000111.5L617 T618 K619D615-L617 PolarHBondContact O-N 2.8Å; D615-T618 PolarHBondContact O-N 3.11Å; D615-T618 PolarHBondContact O-OG1 3.44Å; D615-T618 VanDerWaalsContact O-OG1 3.12Å; D615-K619 VanDerWaalsContact O-CD 3.29Å; D615-K619 WeakPolarHBondContact O-CD 3.47Å; D615-K619 WeakPolarHBondContact O-CG 3.13Å; D615-K619 PolarHBondContact O-N 2.83Å
616H39.9Very low57Low33 Ų3365 Ų6515%0.15334%0.339CS..Hα-helixtrans-70.8-11.317768.6-109.8000114.4S613 K614 Y623 G734 F738S613-H616 PolarHBondContact O-CE1 3.46Å; S613-H616 VanDerWaalsContact O-CE1 3.25Å; K614-H616 PolarHBondContact O-N 3.42Å; H616-Y623 PolarHBondContact CD2-OH 3.43Å; H616-Y623 PolarHBondContact NE2-OH 2.9Å; H616-G734 PolarHBondContact CE1-O 2.96Å; H616-G734 WeakPolarHBondContact NE2-CA 3.25Å; H616-F738 HydrophobicContact CB-CD1 3.92Å; H616-F738 HydrophobicContact CB-CE1 4.11Å; H616-F738 HydrophobicContact CB-CG 4.15Å; H616-F738 WeakPolarHBondContact O-CZ 3.43Å
617L41.1Very low58.9Low78 Ų7862.4 Ų62.441%0.40833%0.326SS..Hα-helixtrans-92.5-13.8177.4-64.5177.9000113K614 D615K614-L617 HydrophobicContact CG-CB 4.43Å; K614-L617 HydrophobicContact CG-CD1 4.23Å; K614-L617 WeakPolarHBondContact O-CB 3.37Å; K614-L617 PolarHBondContact O-N 2.97Å; D615-L617 PolarHBondContact O-N 2.8Å
618T50.6Low60.3Low117 Ų11762.9 Ų62.972%0.71835%0.352SS*.Hα-helixtrans-100.4-1516848.60000112.8D615D615-T618 PolarHBondContact O-N 3.11Å; D615-T618 PolarHBondContact O-OG1 3.44Å; D615-T618 VanDerWaalsContact O-OG1 3.12Å
619K65.8Low62.3Low76 Ų7664.3 Ų64.333%0.3336%0.359SS..SBendtrans-78.2136.5174.1-73.9165.3173.9-149.40111.4D615 F738 E740D615-K619 VanDerWaalsContact O-CD 3.29Å; D615-K619 WeakPolarHBondContact O-CD 3.47Å; D615-K619 WeakPolarHBondContact O-CG 3.13Å; D615-K619 PolarHBondContact O-N 2.83Å; K619-F738 HydrophobicContact CB-CE1 3.9Å; K619-F738 HydrophobicContact CB-CZ 4.14Å; K619-E740 HydrophobicContact CB-CG 4.33Å; K619-E740 VanDerWaalsContact CD-CD 3.42Å; K619-E740 HydrophobicContact CD-CG 4.09Å; K619-E740 WeakPolarHBondContact CD-OE1 3.38Å; K619-E740 WeakPolarHBondContact CE-OE1 3.46Å; K619-E740 HydrophobicContact CG-CG 4.3Å; K619-E740 IonicContact NZ-OE1 3.93Å; K619-E740 PolarHBondContact NZ-OE1 2.69Å; K619-E740 IonicContact NZ-OE2 3.82Å; K619-E740 PolarHBondContact NZ-OE2 3.21Å
620K83.8Confident64.5Low59 Ų5964.3 Ų64.326%0.25736%0.356SS..  trans-62.8140.9163.9-60.5-178.3-165.7174.40109.1D641 E644 L741 D743K620-D641 WeakPolarHBondContact CA-OD2 3.29Å; K620-D641 VanDerWaalsContact CB-OD2 3.29Å; K620-D641 WeakPolarHBondContact CB-OD2 3.36Å; K620-D641 HydrophobicContact CD-CB 4.37Å; K620-D641 HydrophobicContact CG-CB 4.37Å; K620-E644 WeakPolarHBondContact CE-OE2 3.4Å; K620-E644 IonicContact NZ-OE2 2.67Å; K620-E644 PolarHBondContact NZ-OE2 3.21Å; K620-L741 HydrophobicContact CB-CB 3.77Å; K620-L741 HydrophobicContact CB-CD1 4.02Å; K620-L741 HydrophobicContact CB-CG 4.45Å; K620-L741 PolarHBondContact O-N 3.5Å; K620-D743 IonicContact NZ-OD1 3.41Å; K620-D743 PolarHBondContact NZ-OD1 2.78Å; K620-D743 IonicContact NZ-OD2 3.6Å
621G90.1Very high66.7Low5 Ų564.9 Ų64.95%0.05236%0.364CS..EExtended strand (participates in β ladder)trans155.8-173.6-179.700000116.2H637 V739G621-H637 PolarHBondContact O-CD2 2.89Å; G621-V739 WeakPolarHBondContact CA-O 3.46Å
622Y93.4Very high69.5Low4 Ų457.6 Ų57.62%0.01633%0.333CS..EExtended strand (participates in β ladder)trans-143.2152.6-179.761-85.7000112.1W635 V636 L645 C649 F650 R670 V739Y622-W635 HydrophobicContact CD2-CB 4.05Å; Y622-W635 AromaticContact CD2-CD1 3.54Å; Y622-W635 HydrophobicContact CD2-CG 4.01Å; Y622-W635 AromaticContact CE2-CD1 3.38Å; Y622-W635 HydrophobicContact CE2-CG 4.09Å; Y622-W635 AromaticContact CE2-NE1 3.79Å; Y622-V636 WeakPolarHBondContact CA-O 3.32Å; Y622-L645 HydrophobicContact CD1-CD1 3.74Å; Y622-L645 HydrophobicContact CD1-CG 4.48Å; Y622-L645 HydrophobicContact CG-CD1 4.31Å; Y622-C649 HydrophobicContact CE1-CB 4.3Å; Y622-F650 AromaticContact CD1-CE2 3.97Å; Y622-F650 HydrophobicContact CD1-CE2 3.97Å; Y622-F650 HydrophobicContact CD1-CZ 4.24Å; Y622-F650 HydrophobicContact CD2-CZ 4.25Å; Y622-F650 AromaticContact CE1-CE2 3.81Å; Y622-F650 HydrophobicContact CE1-CE2 3.81Å; Y622-F650 AromaticContact CE1-CZ 3.9Å; Y622-F650 HydrophobicContact CE1-CZ 3.9Å; Y622-F650 AromaticContact CE2-CZ 3.92Å; Y622-F650 HydrophobicContact CE2-CZ 3.92Å; Y622-F650 HydrophobicContact CG-CE2 4.42Å; Y622-F650 HydrophobicContact CG-CZ 4.4Å; Y622-F650 AromaticContact CZ-CZ 3.73Å; Y622-R670 VanDerWaalsContact OH-CD 3.23Å; Y622-R670 WeakPolarHBondContact OH-CD 3.32Å; Y622-R670 PolarHBondContact OH-NH1 2.65Å; Y622-V739 HydrophobicContact CD1-CB 4.31Å; Y622-V739 HydrophobicContact CD2-CB 4.27Å; Y622-V739 HydrophobicContact CD2-CG2 4.38Å; Y622-V739 HydrophobicContact CE1-CB 3.91Å; Y622-V739 HydrophobicContact CE1-CG1 3.92Å; Y622-V739 HydrophobicContact CE2-CB 3.86Å; Y622-V739 HydrophobicContact CE2-CG1 4.41Å; Y622-V739 HydrophobicContact CE2-CG2 3.79Å; Y622-V739 HydrophobicContact CG-CB 4.49Å; Y622-V739 PolarHBondContact N-O 2.86Å; Y622-V739 VanDerWaalsContact N-O 3.14Å; Y622-V739 PolarHBondContact O-N 2.65Å
623Y93.9Very high72.2Confident7 Ų754.1 Ų54.13%0.02731%0.311CS..EExtended strand (participates in β ladder)trans-86.1135170.6-58.8-91.1000110.1H616 Y625 W635 V636 I638 A731 F738H616-Y623 PolarHBondContact CD2-OH 3.43Å; H616-Y623 PolarHBondContact NE2-OH 2.9Å; Y623-Y625 HydrophobicContact CG-CE2 4.49Å; Y623-W635 VanDerWaalsContact O-CA 3.28Å; Y623-W635 WeakPolarHBondContact O-CA 3.36Å; Y623-V636 PolarHBondContact N-O 3.32Å; Y623-V636 PolarHBondContact O-N 3.09Å; Y623-I638 HydrophobicContact CE2-CD1 4.42Å; Y623-A731 HydrophobicContact CD2-CB 3.49Å; Y623-A731 VanDerWaalsContact CD2-CB 3.49Å; Y623-A731 HydrophobicContact CE2-CB 3.97Å; Y623-A731 WeakPolarHBondContact CE2-O 3.45Å; Y623-A731 HydrophobicContact CG-CB 3.93Å; Y623-F738 HydrophobicContact CD1-CB 4.02Å; Y623-F738 HydrophobicContact CD1-CD2 4.05Å; Y623-F738 HydrophobicContact CD2-CD2 4.18Å; Y623-F738 HydrophobicContact CE1-CB 3.94Å; Y623-F738 AromaticContact CE1-CD2 3.76Å; Y623-F738 HydrophobicContact CE1-CD2 3.76Å; Y623-F738 HydrophobicContact CE1-CG 4.28Å; Y623-F738 AromaticContact CE2-CD2 3.89Å; Y623-F738 HydrophobicContact CE2-CD2 3.89Å; Y623-F738 HydrophobicContact CE2-CE2 4.26Å; Y623-F738 HydrophobicContact CG-CD2 4.24Å; Y623-F738 AromaticContact CZ-CD2 3.67Å
624E93.8Very high74.9Confident21 Ų2151.3 Ų51.310%0.09829%0.292CS..EExtended strand (participates in β ladder)trans-100.2129.7168.8-178.5174.9148.800110.8K633 R670 R675 D737E624-K633 HydrophobicContact CG-CD 3.94Å; E624-K633 WeakPolarHBondContact OE1-CD 3.34Å; E624-K633 WeakPolarHBondContact OE1-CE 3.33Å; E624-K633 IonicContact OE1-NZ 3.23Å; E624-K633 PolarHBondContact OE1-NZ 2.67Å; E624-R670 IonicContact OE1-NH2 2.77Å; E624-R670 IonicContact OE2-CZ 2.69Å; E624-R670 IonicContact OE2-NH1 3.78Å; E624-R670 PolarHBondContact OE2-NH1 3.3Å; E624-R670 IonicContact OE2-NH2 3.82Å; E624-R670 PolarHBondContact OE2-NH2 3.47Å; E624-R675 IonicContact OE1-NH1 2.87Å; E624-R675 PolarHBondContact OE1-NH1 3.45Å; E624-D737 PolarHBondContact N-O 3.32Å
625Y93.3Very high77.9Confident26 Ų2648.1 Ų48.110%0.10228%0.278CS..EExtended strand (participates in β ladder)trans-122.7151.6170.5-55.9-80.9000110.5Y623 K633 L634 V636 C727 N730 A731 I735Y623-Y625 HydrophobicContact CG-CE2 4.49Å; Y625-K633 WeakPolarHBondContact O-CD 3.27Å; Y625-L634 PolarHBondContact N-O 3.31Å; Y625-L634 PolarHBondContact O-N 3.18Å; Y625-L634 VanDerWaalsContact O-N 3.11Å; Y625-V636 HydrophobicContact CD2-CG2 4.17Å; Y625-V636 HydrophobicContact CE2-CB 4.37Å; Y625-V636 HydrophobicContact CE2-CG2 3.94Å; Y625-C727 HydrophobicContact CD1-CB 4.14Å; Y625-C727 HydrophobicContact CD2-CB 3.74Å; Y625-C727 HydrophobicContact CE1-CB 4.42Å; Y625-C727 HydrophobicContact CE2-CB 4.03Å; Y625-C727 HydrophobicContact CG-CB 3.79Å; Y625-C727 PolarHBondContact OH-O 3.41Å; Y625-N730 HydrophobicContact CE1-CB 4.45Å; Y625-A731 HydrophobicContact CE2-CB 4.23Å; Y625-A731 VanDerWaalsContact OH-CA 3.31Å; Y625-A731 WeakPolarHBondContact OH-CA 3.34Å; Y625-A731 WeakPolarHBondContact OH-CB 3.34Å; Y625-A731 PolarHBondContact OH-N 3.18Å; Y625-I735 PolarHBondContact OH-O 3.12Å
626G87.1Confident80.7Confident42 Ų4243.4 Ų43.443%0.43325%0.253SS..  trans-148.7129.9168.600000110
627N79Confident83.4Confident33 Ų3341.8 Ų41.818%0.17625%0.245CC..  trans-77.9-20.8179.647.651.2000113I629 Y630 W723N627-I629 PolarHBondContact O-N 2.71Å; N627-I629 PolarHBondContact OD1-N 3.46Å; N627-Y630 PolarHBondContact OD1-N 3.44Å; N627-Y630 PolarHBondContact OD1-O 3.28Å; N627-W723 HydrophobicContact CB-CD2 3.91Å; N627-W723 HydrophobicContact CB-CE3 4.14Å; N627-W723 HydrophobicContact CB-CH2 3.95Å; N627-W723 HydrophobicContact CB-CZ2 3.66Å; N627-W723 HydrophobicContact CB-CZ3 4.17Å; N627-W723 VanDerWaalsContact N-CZ2 3.29Å; N627-W723 WeakPolarHBondContact ND2-CZ3 3.43Å
628G76.6Confident85.8Confident80 Ų8040 Ų4083%0.82524%0.236SC*.SBendtrans780.9-178.800000114.9
629I77.1Confident87.6Confident140 Ų14034.9 Ų34.972%0.71821%0.207SC*.SBendtrans-108.3-50.5-179.9-62.2172.5000109.6N627N627-I629 PolarHBondContact O-N 2.71Å; N627-I629 PolarHBondContact OD1-N 3.46Å
630Y81.7Confident88.6Confident48 Ų4840.2 Ų40.219%0.18823%0.23CC..SBendtrans-92.3148-179-57.2-93.9000110.4N627 L632 I704 T708 L710 L720N627-Y630 PolarHBondContact OD1-N 3.44Å; N627-Y630 PolarHBondContact OD1-O 3.28Å; Y630-L632 PolarHBondContact O-N 3.32Å; Y630-I704 HydrophobicContact CD1-CG2 3.32Å; Y630-I704 HydrophobicContact CE1-CG2 3.97Å; Y630-I704 HydrophobicContact CG-CG2 3.67Å; Y630-T708 HydrophobicContact CD1-CG2 4.39Å; Y630-L710 HydrophobicContact CD1-CD1 4.44Å; Y630-L710 HydrophobicContact CE1-CD1 3.69Å; Y630-L720 HydrophobicContact CD2-CD1 4.15Å; Y630-L720 HydrophobicContact CE1-CD2 4.09Å; Y630-L720 HydrophobicContact CE2-CD1 3.89Å
631P79.8Confident88.8Confident85 Ų8538.9 Ų38.955%0.55223%0.226SC*.SBendtrans-76.3-18.6-172.631.2-37.9000114.3T708P631-T708 VanDerWaalsContact CD-CG2 3.48Å; P631-T708 HydrophobicContact CG-CG2 3.82Å
632L89.4Confident88.9Confident7 Ų738.9 Ų38.94%0.03722%0.224CC..SBendtrans-84.3140-179.9-67-169.6000112Y630 R676 V678 I704 H707Y630-L632 PolarHBondContact O-N 3.32Å; L632-R676 HydrophobicContact CD2-CB 3.83Å; L632-V678 HydrophobicContact CD1-CG2 4.04Å; L632-I704 HydrophobicContact CB-CG1 4.26Å; L632-I704 HydrophobicContact CD1-CG1 4.13Å; L632-H707 HydrophobicContact CD1-CB 3.79Å; L632-H707 HydrophobicContact CG-CB 4.17Å
633K92.4Very high88.8Confident50 Ų5045.1 Ų45.122%0.21725%0.251CS..EExtended strand (participates in β ladder)trans-78154.2165.2-77.7-71.5-177.7154.30111.2E624 Y625 W635 R676 G677 V678E624-K633 HydrophobicContact CG-CD 3.94Å; E624-K633 WeakPolarHBondContact OE1-CD 3.34Å; E624-K633 WeakPolarHBondContact OE1-CE 3.33Å; E624-K633 IonicContact OE1-NZ 3.23Å; E624-K633 PolarHBondContact OE1-NZ 2.67Å; Y625-K633 WeakPolarHBondContact O-CD 3.27Å; K633-W635 HydrophobicContact CB-CD2 4.45Å; K633-W635 HydrophobicContact CB-CH2 4.35Å; K633-W635 HydrophobicContact CB-CZ2 3.88Å; K633-W635 HydrophobicContact CG-CZ2 4.47Å; K633-R676 PolarHBondContact N-O 3.18Å; K633-G677 CarbonylContact O-C 3.58Å; K633-G677 WeakPolarHBondContact O-CA 3.47Å; K633-V678 PolarHBondContact O-N 2.73Å
634L95.3Very high88.6Confident0 Ų049.7 Ų49.70%027%0.273CS..EExtended strand (participates in β ladder)trans-111.4125167.2173.357.9000108.2Y625 V636 V680 V700 W723 I724 C727Y625-L634 PolarHBondContact N-O 3.31Å; Y625-L634 PolarHBondContact O-N 3.18Å; Y625-L634 VanDerWaalsContact O-N 3.11Å; L634-V636 HydrophobicContact CD1-CG2 4.36Å; L634-V636 HydrophobicContact CG-CG2 4.23Å; L634-V680 HydrophobicContact CD1-CG2 3.91Å; L634-V700 HydrophobicContact CD1-CG1 3.93Å; L634-V700 HydrophobicContact CD1-CG2 4.17Å; L634-W723 HydrophobicContact CB-CH2 4.07Å; L634-W723 HydrophobicContact CB-CZ3 4.18Å; L634-W723 HydrophobicContact CD2-CH2 4.29Å; L634-W723 HydrophobicContact CD2-CZ3 3.98Å; L634-I724 HydrophobicContact CD2-CG2 4.13Å; L634-C727 HydrophobicContact CD2-CB 3.71Å
635W95.9Very high88.5Confident0 Ų048.7 Ų48.70%027%0.269CS..EExtended strand (participates in β ladder)trans-114.4133.4173.5-60.3-63.5000109.9Y622 Y623 K633 F650 A668 R670 R675 G677 V678 L679 V680Y622-W635 HydrophobicContact CD2-CB 4.05Å; Y622-W635 AromaticContact CD2-CD1 3.54Å; Y622-W635 HydrophobicContact CD2-CG 4.01Å; Y622-W635 AromaticContact CE2-CD1 3.38Å; Y622-W635 HydrophobicContact CE2-CG 4.09Å; Y622-W635 AromaticContact CE2-NE1 3.79Å; Y623-W635 VanDerWaalsContact O-CA 3.28Å; Y623-W635 WeakPolarHBondContact O-CA 3.36Å; K633-W635 HydrophobicContact CB-CD2 4.45Å; K633-W635 HydrophobicContact CB-CH2 4.35Å; K633-W635 HydrophobicContact CB-CZ2 3.88Å; K633-W635 HydrophobicContact CG-CZ2 4.47Å; W635-F650 HydrophobicContact CB-CZ 4.41Å; W635-F650 AromaticContact CD2-CE1 3.58Å; W635-F650 HydrophobicContact CD2-CE1 3.58Å; W635-F650 AromaticContact CD2-CZ 3.92Å; W635-F650 HydrophobicContact CD2-CZ 3.92Å; W635-F650 AromaticContact CE2-CE1 3.9Å; W635-F650 HydrophobicContact CE3-CD1 4.24Å; W635-F650 AromaticContact CE3-CE1 3.48Å; W635-F650 HydrophobicContact CE3-CE1 3.48Å; W635-F650 VanDerWaalsContact CE3-CE1 3.48Å; W635-F650 HydrophobicContact CE3-CZ 4.19Å; W635-F650 HydrophobicContact CG-CE1 4.2Å; W635-F650 HydrophobicContact CG-CZ 4.04Å; W635-F650 AromaticContact CH2-CE1 3.99Å; W635-F650 HydrophobicContact CH2-CE1 3.99Å; W635-F650 HydrophobicContact CZ2-CE1 4.1Å; W635-F650 HydrophobicContact CZ3-CD1 4.17Å; W635-F650 AromaticContact CZ3-CE1 3.69Å; W635-F650 HydrophobicContact CZ3-CE1 3.69Å; W635-A668 HydrophobicContact CE3-CB 4.27Å; W635-A668 HydrophobicContact CZ3-CB 3.96Å; W635-R670 HydrophobicContact CH2-CB 4.04Å; W635-R670 HydrophobicContact CZ2-CB 3.94Å; W635-R675 HydrophobicContact CZ2-CB 4.47Å; W635-G677 VanDerWaalsContact CZ3-CA 3.42Å; W635-V678 PolarHBondContact N-O 3.22Å; W635-L679 HydrophobicContact CB-CD1 3.75Å; W635-L679 HydrophobicContact CE3-CB 4.46Å; W635-V680 PolarHBondContact O-N 2.87Å
636V95.7Very high88.5Confident0 Ų047.9 Ų47.90%027%0.266CS..EExtended strand (participates in β ladder)trans-122.6116.6178.4-171.90000109.7Y622 Y623 Y625 L634 I638 V680 F682 I728 A731Y622-V636 WeakPolarHBondContact CA-O 3.32Å; Y623-V636 PolarHBondContact N-O 3.32Å; Y623-V636 PolarHBondContact O-N 3.09Å; Y625-V636 HydrophobicContact CD2-CG2 4.17Å; Y625-V636 HydrophobicContact CE2-CB 4.37Å; Y625-V636 HydrophobicContact CE2-CG2 3.94Å; L634-V636 HydrophobicContact CD1-CG2 4.36Å; L634-V636 HydrophobicContact CG-CG2 4.23Å; V636-I638 HydrophobicContact CG1-CG1 4.36Å; V636-V680 WeakPolarHBondContact CA-O 3.43Å; V636-F682 HydrophobicContact CG1-CE2 4.46Å; V636-I728 HydrophobicContact CG2-CG1 4.21Å; V636-A731 HydrophobicContact CB-CB 3.79Å; V636-A731 HydrophobicContact CG1-CB 3.61Å; V636-A731 HydrophobicContact CG2-CB 4.4Å
637H94.8Very high88.6Confident0 Ų050.9 Ų50.90%027%0.272CS..EExtended strand (participates in β ladder)trans-104139.5174.6161.6-102.2000110.5G621 G639 D641 L642 L645 L679 V680 S681 F682G621-H637 PolarHBondContact O-CD2 2.89Å; H637-G639 VanDerWaalsContact CE1-C 3.46Å; H637-G639 PolarHBondContact CE1-N 2.74Å; H637-G639 PolarHBondContact CE1-O 2.71Å; H637-G639 WeakPolarHBondContact NE2-CA 3.46Å; H637-D641 IonicContact NE2-OD1 2.9Å; H637-D641 IonicContact NE2-OD2 3.16Å; H637-L642 PolarHBondContact CE1-N 3.32Å; H637-L645 HydrophobicContact CB-CD1 4.08Å; H637-L679 HydrophobicContact CB-CD1 4.36Å; H637-V680 PolarHBondContact N-O 2.68Å; H637-S681 PolarHBondContact ND1-OG 3.44Å; H637-S681 WeakPolarHBondContact O-CA 3.44Å; H637-F682 PolarHBondContact O-N 3.4Å
638I92.4Very high89.2Confident39 Ų3952.3 Ų52.320%0.228%0.284CS..EExtended strand (participates in β ladder)trans-135.493.9178.7-52.5172000108Y623 V636 F682 Q685 M688 A731Y623-I638 HydrophobicContact CE2-CD1 4.42Å; V636-I638 HydrophobicContact CG1-CG1 4.36Å; I638-F682 WeakPolarHBondContact CA-O 3.47Å; I638-Q685 HydrophobicContact CG2-CG 3.83Å; I638-M688 HydrophobicContact CD1-CE 3.97Å; I638-M688 HydrophobicContact CD1-SD 3.6Å; I638-M688 HydrophobicContact CG1-CE 4.34Å; I638-M688 HydrophobicContact CG1-SD 3.85Å; I638-M688 HydrophobicContact CG2-SD 4.04Å; I638-A731 HydrophobicContact CD1-CB 4.01Å; I638-A731 WeakPolarHBondContact CD1-O 3.38Å
639G89Confident89.9Confident11 Ų1149.7 Ų49.711%0.11325%0.253CS..SBendtrans177175.7-170.300000113.8H637 D641 F682 P683H637-G639 VanDerWaalsContact CE1-C 3.46Å; H637-G639 PolarHBondContact CE1-N 2.74Å; H637-G639 PolarHBondContact CE1-O 2.71Å; H637-G639 WeakPolarHBondContact NE2-CA 3.46Å; G639-D641 WeakPolarHBondContact CA-OD1 3.38Å; G639-F682 PolarHBondContact N-O 2.85Å; G639-P683 CarbonylContact C-O 3.47Å; G639-P683 WeakPolarHBondContact O-CA 3.35Å
640K85.8Confident90.7Very high187 Ų18743.1 Ų43.181%0.81322%0.22SC*.SBendtrans-99.7-8.6175.1-65.4-172.2176.2-172.90112.6L642K640-L642 VanDerWaalsContact C-N 3.26Å; K640-L642 PolarHBondContact O-N 2.86Å
641D88.2Confident91.2Very high32 Ų3243.3 Ų43.317%0.17122%0.224CC..  trans-8312.2-178.747-59000113.3K620 H637 G639 K643 E644 L645K620-D641 WeakPolarHBondContact CA-OD2 3.29Å; K620-D641 VanDerWaalsContact CB-OD2 3.29Å; K620-D641 WeakPolarHBondContact CB-OD2 3.36Å; K620-D641 HydrophobicContact CD-CB 4.37Å; K620-D641 HydrophobicContact CG-CB 4.37Å; H637-D641 IonicContact NE2-OD1 2.9Å; H637-D641 IonicContact NE2-OD2 3.16Å; G639-D641 WeakPolarHBondContact CA-OD1 3.38Å; D641-K643 PolarHBondContact O-N 2.82Å; D641-E644 HydrophobicContact CB-CB 4.46Å; D641-E644 WeakPolarHBondContact O-CA 3.41Å; D641-E644 WeakPolarHBondContact O-CB 3.41Å; D641-E644 PolarHBondContact O-N 3.35Å; D641-L645 PolarHBondContact O-N 3.47Å
642L91.5Very high91.7Very high5 Ų544.8 Ų44.83%0.02622%0.221CC..Hα-helixtrans-47-38.6178.4176.860.6000113H637 K640 L645 I646 Y660 V663 Y665H637-L642 PolarHBondContact CE1-N 3.32Å; K640-L642 VanDerWaalsContact C-N 3.26Å; K640-L642 PolarHBondContact O-N 2.86Å; L642-L645 HydrophobicContact CD1-CD2 4.14Å; L642-L645 PolarHBondContact O-N 3.37Å; L642-I646 HydrophobicContact CD1-CD1 3.78Å; L642-I646 HydrophobicContact CD1-CG1 4.08Å; L642-I646 HydrophobicContact CG-CD1 3.9Å; L642-I646 WeakPolarHBondContact O-CB 3.2Å; L642-I646 VanDerWaalsContact O-CG1 3.29Å; L642-I646 WeakPolarHBondContact O-CG1 3.38Å; L642-I646 PolarHBondContact O-N 3.31Å; L642-Y660 HydrophobicContact CD2-CE1 4.17Å; L642-Y660 WeakPolarHBondContact CD2-OH 3.14Å; L642-V663 HydrophobicContact CD2-CG1 3.93Å; L642-Y665 HydrophobicContact CD1-CE2 4.37Å; L642-Y665 HydrophobicContact CD2-CE2 4.49Å
643K91.1Very high91.8Very high134 Ų13444.8 Ų44.858%0.58322%0.222SC*.Hα-helixtrans-68-46.5177.5-175.6168.1-177.9167.40112.3D641 L645 I646 D647 A655D641-K643 PolarHBondContact O-N 2.82Å; K643-L645 VanDerWaalsContact C-N 3.27Å; K643-L645 PolarHBondContact O-N 3.01Å; K643-I646 PolarHBondContact O-N 2.85Å; K643-D647 WeakPolarHBondContact O-CB 3.4Å; K643-D647 PolarHBondContact O-N 3.39Å; K643-A655 HydrophobicContact CB-CB 4.1Å; K643-A655 HydrophobicContact CG-CB 4.44Å
644E90.2Very high91.6Very high104 Ų10448.8 Ų48.849%0.48625%0.246SC..Hα-helixtrans-62-38.2175.3-59.1179.9-170.800110.8K620 D641 S648K620-E644 WeakPolarHBondContact CE-OE2 3.4Å; K620-E644 IonicContact NZ-OE2 2.67Å; K620-E644 PolarHBondContact NZ-OE2 3.21Å; D641-E644 HydrophobicContact CB-CB 4.46Å; D641-E644 WeakPolarHBondContact O-CA 3.41Å; D641-E644 WeakPolarHBondContact O-CB 3.41Å; D641-E644 PolarHBondContact O-N 3.35Å; E644-S648 VanDerWaalsContact O-CB 3.22Å; E644-S648 WeakPolarHBondContact O-CB 3.3Å; E644-S648 PolarHBondContact O-N 3.1Å; E644-S648 PolarHBondContact O-OG 2.83Å
645L92.3Very high91.2Very high0 Ų050.4 Ų50.40%026%0.259CS..Hα-helixtrans-65.3-41.7174.8177.9139000113.1Y622 H637 D641 L642 K643 S648 C649 F650 L679 L741Y622-L645 HydrophobicContact CD1-CD1 3.74Å; Y622-L645 HydrophobicContact CD1-CG 4.48Å; Y622-L645 HydrophobicContact CG-CD1 4.31Å; H637-L645 HydrophobicContact CB-CD1 4.08Å; D641-L645 PolarHBondContact O-N 3.47Å; L642-L645 HydrophobicContact CD1-CD2 4.14Å; L642-L645 PolarHBondContact O-N 3.37Å; K643-L645 VanDerWaalsContact C-N 3.27Å; K643-L645 PolarHBondContact O-N 3.01Å; L645-S648 PolarHBondContact O-OG 3.49Å; L645-C649 WeakPolarHBondContact O-CA 3.4Å; L645-C649 VanDerWaalsContact O-CB 3.29Å; L645-C649 WeakPolarHBondContact O-CB 3.43Å; L645-C649 PolarHBondContact O-N 2.89Å; L645-F650 HydrophobicContact CD2-CD2 3.64Å; L645-F650 HydrophobicContact CD2-CE2 3.73Å; L645-F650 HydrophobicContact CG-CD2 4.24Å; L645-F650 HydrophobicContact CG-CE2 4.14Å; L645-L679 HydrophobicContact CD2-CD1 4.36Å; L645-L679 HydrophobicContact CD2-CD2 3.86Å; L645-L741 HydrophobicContact CB-CD1 3.79Å; L645-L741 HydrophobicContact CD1-CD1 4.06Å; L645-L741 HydrophobicContact CG-CD1 4.22Å
646I92.8Very high90.8Very high8 Ų852.7 Ų52.74%0.04127%0.274CS..Hα-helixtrans-68.4-50.4174.7-73169.8000110.1L642 K643 S648 C649 F650 C653 A655 Y665 K671 L679L642-I646 HydrophobicContact CD1-CD1 3.78Å; L642-I646 HydrophobicContact CD1-CG1 4.08Å; L642-I646 HydrophobicContact CG-CD1 3.9Å; L642-I646 WeakPolarHBondContact O-CB 3.2Å; L642-I646 VanDerWaalsContact O-CG1 3.29Å; L642-I646 WeakPolarHBondContact O-CG1 3.38Å; L642-I646 PolarHBondContact O-N 3.31Å; K643-I646 PolarHBondContact O-N 2.85Å; I646-S648 VanDerWaalsContact C-N 3.26Å; I646-S648 PolarHBondContact O-N 2.83Å; I646-C649 PolarHBondContact O-N 3.33Å; I646-F650 PolarHBondContact O-N 3.45Å; I646-F650 VanDerWaalsContact O-N 3.1Å; I646-C653 HydrophobicContact CB-CB 4.44Å; I646-C653 HydrophobicContact CD1-CB 3.62Å; I646-C653 HydrophobicContact CG1-CB 3.69Å; I646-C653 HydrophobicContact CG2-CB 3.92Å; I646-C653 WeakPolarHBondContact CG2-O 3.43Å; I646-A655 HydrophobicContact CD1-CB 4.17Å; I646-Y665 HydrophobicContact CD1-CE2 4.22Å; I646-K671 PolarHBondContact O-NZ 2.91Å; I646-L679 HydrophobicContact CG1-CD2 4.47Å
647D90.3Very high90Very high105 Ų10561.3 Ų61.356%0.56132%0.32SS*.Hα-helixtrans-61.5-33.9-177.6-74.2-26.6000111.8K643 K671K643-D647 WeakPolarHBondContact O-CB 3.4Å; K643-D647 PolarHBondContact O-N 3.39Å; D647-K671 VanDerWaalsContact C-NZ 3.3Å; D647-K671 PolarHBondContact O-NZ 3.34Å
648S90.5Very high89.2Confident63 Ų6365.2 Ų65.244%0.44135%0.348SS..Hα-helixtrans-84.2-46.5174.860.80000114.9E644 L645 I646 L741E644-S648 VanDerWaalsContact O-CB 3.22Å; E644-S648 WeakPolarHBondContact O-CB 3.3Å; E644-S648 PolarHBondContact O-N 3.1Å; E644-S648 PolarHBondContact O-OG 2.83Å; L645-S648 PolarHBondContact O-OG 3.49Å; I646-S648 VanDerWaalsContact C-N 3.26Å; I646-S648 PolarHBondContact O-N 2.83Å; S648-L741 VanDerWaalsContact OG-CD2 3.28Å; S648-L741 WeakPolarHBondContact OG-CD2 3.44Å
649C92.1Very high88.7Confident26 Ų2671.5 Ų71.518%0.17638%0.382CS..Hα-helixtrans-112.1-24.2-163.3-770000116.3Y622 L645 I646 R670 K671 L741Y622-C649 HydrophobicContact CE1-CB 4.3Å; L645-C649 WeakPolarHBondContact O-CA 3.4Å; L645-C649 VanDerWaalsContact O-CB 3.29Å; L645-C649 WeakPolarHBondContact O-CB 3.43Å; L645-C649 PolarHBondContact O-N 2.89Å; I646-C649 PolarHBondContact O-N 3.33Å; C649-R670 CarbonylContact O-C 3.55Å; C649-R670 WeakPolarHBondContact O-CA 3.38Å; C649-K671 PolarHBondContact O-N 2.57Å; C649-L741 WeakPolarHBondContact SG-CD2 3.38Å
650F94.4Very high88.5Confident2 Ų273.6 Ų73.61%0.00939%0.386CS..EExtended strand (participates in β ladder)trans-131.1129.4-167.6-64.1-79.7000115.3Y622 W635 L645 I646 A668 V669 R670 K671 L679Y622-F650 AromaticContact CD1-CE2 3.97Å; Y622-F650 HydrophobicContact CD1-CE2 3.97Å; Y622-F650 HydrophobicContact CD1-CZ 4.24Å; Y622-F650 HydrophobicContact CD2-CZ 4.25Å; Y622-F650 AromaticContact CE1-CE2 3.81Å; Y622-F650 HydrophobicContact CE1-CE2 3.81Å; Y622-F650 AromaticContact CE1-CZ 3.9Å; Y622-F650 HydrophobicContact CE1-CZ 3.9Å; Y622-F650 AromaticContact CE2-CZ 3.92Å; Y622-F650 HydrophobicContact CE2-CZ 3.92Å; Y622-F650 HydrophobicContact CG-CE2 4.42Å; Y622-F650 HydrophobicContact CG-CZ 4.4Å; Y622-F650 AromaticContact CZ-CZ 3.73Å; W635-F650 HydrophobicContact CB-CZ 4.41Å; W635-F650 AromaticContact CD2-CE1 3.58Å; W635-F650 HydrophobicContact CD2-CE1 3.58Å; W635-F650 AromaticContact CD2-CZ 3.92Å; W635-F650 HydrophobicContact CD2-CZ 3.92Å; W635-F650 AromaticContact CE2-CE1 3.9Å; W635-F650 HydrophobicContact CE3-CD1 4.24Å; W635-F650 AromaticContact CE3-CE1 3.48Å; W635-F650 HydrophobicContact CE3-CE1 3.48Å; W635-F650 VanDerWaalsContact CE3-CE1 3.48Å; W635-F650 HydrophobicContact CE3-CZ 4.19Å; W635-F650 HydrophobicContact CG-CE1 4.2Å; W635-F650 HydrophobicContact CG-CZ 4.04Å; W635-F650 AromaticContact CH2-CE1 3.99Å; W635-F650 HydrophobicContact CH2-CE1 3.99Å; W635-F650 HydrophobicContact CZ2-CE1 4.1Å; W635-F650 HydrophobicContact CZ3-CD1 4.17Å; W635-F650 AromaticContact CZ3-CE1 3.69Å; W635-F650 HydrophobicContact CZ3-CE1 3.69Å; L645-F650 HydrophobicContact CD2-CD2 3.64Å; L645-F650 HydrophobicContact CD2-CE2 3.73Å; L645-F650 HydrophobicContact CG-CD2 4.24Å; L645-F650 HydrophobicContact CG-CE2 4.14Å; I646-F650 PolarHBondContact O-N 3.45Å; I646-F650 VanDerWaalsContact O-N 3.1Å; F650-A668 HydrophobicContact CD1-CB 4.45Å; F650-V669 WeakPolarHBondContact CA-O 3.37Å; F650-R670 HydrophobicContact CD1-CB 4.27Å; F650-R670 HydrophobicContact CE1-CB 4.01Å; F650-K671 WeakPolarHBondContact O-CE 3.42Å; F650-K671 PolarHBondContact O-NZ 2.6Å; F650-L679 HydrophobicContact CD2-CD2 4.01Å; F650-L679 HydrophobicContact CE2-CD1 4.47Å; F650-L679 HydrophobicContact CE2-CD2 4.35Å; F650-L679 HydrophobicContact CG-CD2 4.22Å
651D91.5Very high88.5Confident51 Ų5165.4 Ų65.427%0.27336%0.355SS..EExtended strand (participates in β ladder)trans-83.2164.4165.5-72.8-16.3000110.5C653 V669 K671 R674D651-C653 PolarHBondContact O-N 3Å; D651-V669 HydrophobicContact CB-CB 4.25Å; D651-V669 PolarHBondContact N-O 3.44Å; D651-V669 PolarHBondContact O-N 2.68Å; D651-K671 WeakPolarHBondContact OD1-CE 3.36Å; D651-K671 WeakPolarHBondContact OD1-CG 3.29Å; D651-R674 IonicContact OD2-CZ 2.67Å; D651-R674 VanDerWaalsContact OD2-CZ 3.23Å; D651-R674 IonicContact OD2-NH1 3.8Å; D651-R674 PolarHBondContact OD2-NH1 3.07Å; D651-R674 IonicContact OD2-NH2 2.72Å; D651-R674 PolarHBondContact OD2-NH2 3.33Å
652K90.5Very high88.6Confident116 Ų11664.4 Ų64.450%0.50435%0.352SS..SBendtrans63-7.7177.3-56.5-173.8-168165.30116.9D667 V669K652-D667 HydrophobicContact CD-CB 4.5Å; K652-D667 WeakPolarHBondContact CD-O 3.32Å; K652-D667 IonicContact NZ-OD1 2.69Å; K652-D667 PolarHBondContact NZ-OD1 2.7Å; K652-D667 IonicContact NZ-OD2 3.09Å; K652-D667 PolarHBondContact NZ-OD2 2.96Å; K652-V669 HydrophobicContact CD-CG2 4.09Å
653C90.7Very high88.7Confident7 Ų765.6 Ų65.65%0.04736%0.359CS..  trans-85.7145170.8-52.10000109.7I646 D651 Y665 A668I646-C653 HydrophobicContact CB-CB 4.44Å; I646-C653 HydrophobicContact CD1-CB 3.62Å; I646-C653 HydrophobicContact CG1-CB 3.69Å; I646-C653 HydrophobicContact CG2-CB 3.92Å; I646-C653 WeakPolarHBondContact CG2-O 3.43Å; D651-C653 PolarHBondContact O-N 3Å; C653-Y665 HydrophobicContact CB-CD1 3.9Å; C653-Y665 HydrophobicContact CB-CD2 4.36Å; C653-Y665 HydrophobicContact CB-CE1 4.11Å; C653-Y665 HydrophobicContact CB-CG 4.04Å; C653-A668 WeakPolarHBondContact SG-CB 3.27Å
654N89.2Confident88.9Confident135 Ų13560.6 Ų60.672%0.72234%0.34SS*.  trans-133119170.3-66.3-66.4000107.6Y665N654-Y665 WeakPolarHBondContact O-CE1 3.37Å; N654-Y665 PolarHBondContact O-OH 3.49Å; N654-Y665 VanDerWaalsContact O-OH 3.13Å
655A86.9Confident89.2Confident33 Ų3357 Ų5727%0.27332%0.322SS..  trans-60137.917900000111K643 I646K643-A655 HydrophobicContact CB-CB 4.1Å; K643-A655 HydrophobicContact CG-CB 4.44Å; I646-A655 HydrophobicContact CD1-CB 4.17Å
656P86.8Confident89.2Confident48 Ų4859.9 Ų59.931%0.31234%0.342SS..  trans-67.6141.8178.628.3-35.8000111.6S658 Y660 Y665P656-S658 PolarHBondContact O-N 3.19Å; P656-Y660 HydrophobicContact CG-CD1 3.41Å; P656-Y660 VanDerWaalsContact CG-CD1 3.41Å; P656-Y660 HydrophobicContact CG-CE1 3.8Å; P656-Y660 HydrophobicContact CG-CG 4.1Å; P656-Y665 WeakPolarHBondContact CD-OH 3.19Å
657D78.3Confident89.1Confident181 Ų18162.4 Ų62.497%0.96836%0.356SS*.SBendtrans-77.2-3.5174.7-70.5-48.9000113.3
658S79.4Confident89.3Confident83 Ų8357.4 Ų57.458%0.5833%0.329SS*.SBendtrans-122.9158.6-178.3640000112.3P656P656-S658 PolarHBondContact O-N 3.19Å
659D81Confident89.5Confident171 Ų17154.7 Ų54.791%0.91431%0.31SS*.  trans-53.9142.1167.4-67.8-44000111
660Y85.9Confident89.5Confident55 Ų5554.3 Ų54.322%0.21631%0.305CS..  trans-139.5153.2-177.463.7-88.5000110.5L642 P656 V663 S681 P683L642-Y660 HydrophobicContact CD2-CE1 4.17Å; L642-Y660 WeakPolarHBondContact CD2-OH 3.14Å; P656-Y660 HydrophobicContact CG-CD1 3.41Å; P656-Y660 VanDerWaalsContact CG-CD1 3.41Å; P656-Y660 HydrophobicContact CG-CE1 3.8Å; P656-Y660 HydrophobicContact CG-CG 4.1Å; Y660-V663 HydrophobicContact CD2-CB 4.03Å; Y660-V663 HydrophobicContact CD2-CG1 3.74Å; Y660-V663 HydrophobicContact CE2-CB 4.44Å; Y660-V663 HydrophobicContact CE2-CG1 3.66Å; Y660-V663 HydrophobicContact CG-CB 4.45Å; Y660-V663 HydrophobicContact CG-CG1 4.32Å; Y660-S681 PolarHBondContact OH-OG 2.82Å; Y660-P683 HydrophobicContact CD2-CG 3.95Å; Y660-P683 HydrophobicContact CE1-CG 4.39Å; Y660-P683 HydrophobicContact CE2-CG 3.65Å; Y660-P683 HydrophobicContact CG-CG 4.45Å; Y660-P683 WeakPolarHBondContact O-CG 3.43Å
661G84.4Confident89.4Confident14 Ų1457.6 Ų57.614%0.14432%0.319CS..SBendtrans-85.7-60.8176.400000111.4P683 V687G661-P683 WeakPolarHBondContact O-CD 3.37Å; G661-V687 VanDerWaalsContact O-CG1 3.25Å; G661-V687 WeakPolarHBondContact O-CG1 3.39Å
662G90.9Very high89.3Confident11 Ų1160.2 Ų60.211%0.11334%0.341CS..  trans-123.7173.6155.800000109.7S681 E696G662-S681 CarbonylContact C-O 3.47Å; G662-S681 WeakPolarHBondContact CA-O 3.26Å; G662-E696 VanDerWaalsContact CA-OE1 3.29Å; G662-E696 WeakPolarHBondContact CA-OE1 3.27Å
663V93.9Very high89.2Confident30 Ų3057.6 Ų57.618%0.18233%0.333CS..EExtended strand (participates in β ladder)trans-152.4135.8166.962.10000109.9L642 Y660 Y665 V680 S681 E696L642-V663 HydrophobicContact CD2-CG1 3.93Å; Y660-V663 HydrophobicContact CD2-CB 4.03Å; Y660-V663 HydrophobicContact CD2-CG1 3.74Å; Y660-V663 HydrophobicContact CE2-CB 4.44Å; Y660-V663 HydrophobicContact CE2-CG1 3.66Å; Y660-V663 HydrophobicContact CG-CB 4.45Å; Y660-V663 HydrophobicContact CG-CG1 4.32Å; V663-Y665 HydrophobicContact CG1-CE2 4.03Å; V663-Y665 HydrophobicContact CG2-CE1 4.48Å; V663-Y665 HydrophobicContact CG2-CE2 4.24Å; V663-V680 CarbonylContact O-C 3.5Å; V663-V680 WeakPolarHBondContact O-CA 3.35Å; V663-S681 PolarHBondContact N-O 3.21Å; V663-S681 PolarHBondContact O-N 3.22Å; V663-E696 VanDerWaalsContact C-OE2 3.31Å; V663-E696 WeakPolarHBondContact CA-OE2 3.48Å; V663-E696 PolarHBondContact N-OE2 3.32Å
664T95.8Very high89.3Confident29 Ų2964.2 Ų64.218%0.17836%0.357CS..EExtended strand (participates in β ladder)trans-119134.4-177.3-66.40000111.5V678 L679 V680 E696 H699 V700T664-V678 HydrophobicContact CG2-CG1 3.42Å; T664-V678 VanDerWaalsContact CG2-CG1 3.42Å; T664-L679 CarbonylContact C-O 3.5Å; T664-L679 WeakPolarHBondContact CA-O 3.17Å; T664-V680 HydrophobicContact CG2-CG2 4.37Å; T664-E696 WeakPolarHBondContact CB-OE2 3.43Å; T664-E696 PolarHBondContact N-OE2 3.33Å; T664-E696 PolarHBondContact OG1-OE2 2.86Å; T664-H699 HydrophobicContact CG2-CB 3.76Å; T664-V700 HydrophobicContact CG2-CG2 3.98Å
665Y95.4Very high89.3Confident30 Ų3063.7 Ų63.712%0.11835%0.345CS..EExtended strand (participates in β ladder)trans-117107.3175.7-54.2-86.8000110.1L642 I646 C653 N654 P656 V663 V678 L679L642-Y665 HydrophobicContact CD1-CE2 4.37Å; L642-Y665 HydrophobicContact CD2-CE2 4.49Å; I646-Y665 HydrophobicContact CD1-CE2 4.22Å; C653-Y665 HydrophobicContact CB-CD1 3.9Å; C653-Y665 HydrophobicContact CB-CD2 4.36Å; C653-Y665 HydrophobicContact CB-CE1 4.11Å; C653-Y665 HydrophobicContact CB-CG 4.04Å; N654-Y665 WeakPolarHBondContact O-CE1 3.37Å; N654-Y665 PolarHBondContact O-OH 3.49Å; N654-Y665 VanDerWaalsContact O-OH 3.13Å; P656-Y665 WeakPolarHBondContact CD-OH 3.19Å; V663-Y665 HydrophobicContact CG1-CE2 4.03Å; V663-Y665 HydrophobicContact CG2-CE1 4.48Å; V663-Y665 HydrophobicContact CG2-CE2 4.24Å; Y665-V678 WeakPolarHBondContact O-CA 3.02Å; Y665-L679 HydrophobicContact CD2-CB 4.14Å; Y665-L679 HydrophobicContact CD2-CD2 4Å; Y665-L679 HydrophobicContact CD2-CG 4.05Å; Y665-L679 WeakPolarHBondContact CD2-O 3.4Å; Y665-L679 HydrophobicContact CE2-CD2 4.38Å; Y665-L679 PolarHBondContact N-O 3Å; Y665-L679 PolarHBondContact O-N 3.4Å
666S92.6Very high89.6Confident60 Ų6067.6 Ų67.642%0.4235%0.352SS..EExtended strand (participates in β ladder)trans-69-35.1-169.950.30000115.8A703S666-A703 VanDerWaalsContact CB-CB 3.44Å
667D91.1Very high89.9Confident60 Ų6065.3 Ų65.332%0.32134%0.338SS..EExtended strand (participates in β ladder)trans-115.542.6-178.2-174.815.3000110.9K652 R676K652-D667 HydrophobicContact CD-CB 4.5Å; K652-D667 WeakPolarHBondContact CD-O 3.32Å; K652-D667 IonicContact NZ-OD1 2.69Å; K652-D667 PolarHBondContact NZ-OD1 2.7Å; K652-D667 IonicContact NZ-OD2 3.09Å; K652-D667 PolarHBondContact NZ-OD2 2.96Å; D667-R676 VanDerWaalsContact OD1-CD 3.27Å; D667-R676 WeakPolarHBondContact OD1-CD 3.22Å; D667-R676 IonicContact OD1-CZ 2.68Å; D667-R676 IonicContact OD1-NE 3.1Å; D667-R676 IonicContact OD1-NH1 2.79Å; D667-R676 PolarHBondContact OD1-NH1 2.86Å; D667-R676 IonicContact OD2-NH1 2.67Å; D667-R676 PolarHBondContact OD2-NH1 3.46Å
668A94Very high90.7Very high0 Ų056.7 Ų56.70%029%0.291CS..EExtended strand (participates in β ladder)trans-65137.9176.100000110.5W635 F650 C653 R676 G677 L679W635-A668 HydrophobicContact CE3-CB 4.27Å; W635-A668 HydrophobicContact CZ3-CB 3.96Å; F650-A668 HydrophobicContact CD1-CB 4.45Å; C653-A668 WeakPolarHBondContact SG-CB 3.27Å; A668-R676 CarbonylContact O-C 3.55Å; A668-R676 WeakPolarHBondContact O-CA 3.45Å; A668-G677 WeakPolarHBondContact CA-O 3.38Å; A668-G677 WeakPolarHBondContact CB-O 3.36Å; A668-G677 PolarHBondContact N-O 2.72Å; A668-G677 PolarHBondContact O-N 2.79Å; A668-G677 VanDerWaalsContact O-O 3.12Å; A668-L679 HydrophobicContact CB-CB 3.8Å
669V94Very high91.5Very high7 Ų752.7 Ų52.74%0.04226%0.264CS..EExtended strand (participates in β ladder)trans-126.6118.5-179.9-175.80000110.1F650 D651 K652 K671 R675 R676F650-V669 WeakPolarHBondContact CA-O 3.37Å; D651-V669 HydrophobicContact CB-CB 4.25Å; D651-V669 PolarHBondContact N-O 3.44Å; D651-V669 PolarHBondContact O-N 2.68Å; K652-V669 HydrophobicContact CD-CG2 4.09Å; V669-K671 PolarHBondContact O-N 3.15Å; V669-R675 CarbonylContact C-O 3.34Å; V669-R675 WeakPolarHBondContact CA-O 3.49Å; V669-R676 HydrophobicContact CG2-CG 4.08Å
670R92.8Very high92.2Very high18 Ų1844.6 Ų44.67%0.06822%0.22CC..EExtended strand (participates in β ladder)trans-70.4130.4179.4178.9160.765.7-164.5-4.1111.3Y622 E624 W635 C649 F650 S672 D673 R674 R675Y622-R670 VanDerWaalsContact OH-CD 3.23Å; Y622-R670 WeakPolarHBondContact OH-CD 3.32Å; Y622-R670 PolarHBondContact OH-NH1 2.65Å; E624-R670 IonicContact OE1-NH2 2.77Å; E624-R670 IonicContact OE2-CZ 2.69Å; E624-R670 IonicContact OE2-NH1 3.78Å; E624-R670 PolarHBondContact OE2-NH1 3.3Å; E624-R670 IonicContact OE2-NH2 3.82Å; E624-R670 PolarHBondContact OE2-NH2 3.47Å; W635-R670 HydrophobicContact CH2-CB 4.04Å; W635-R670 HydrophobicContact CZ2-CB 3.94Å; C649-R670 CarbonylContact O-C 3.55Å; C649-R670 WeakPolarHBondContact O-CA 3.38Å; F650-R670 HydrophobicContact CD1-CB 4.27Å; F650-R670 HydrophobicContact CE1-CB 4.01Å; R670-S672 WeakPolarHBondContact CD-OG 3.25Å; R670-S672 WeakPolarHBondContact CG-OG 3.03Å; R670-S672 PolarHBondContact O-N 3.23Å; R670-D673 IonicContact CZ-OD1 2.71Å; R670-D673 IonicContact CZ-OD2 2.67Å; R670-D673 IonicContact NE-OD1 2.73Å; R670-D673 PolarHBondContact NE-OD1 2.91Å; R670-D673 IonicContact NE-OD2 3.65Å; R670-D673 PolarHBondContact NE-OD2 3.28Å; R670-D673 IonicContact NH2-OD1 2.57Å; R670-D673 IonicContact NH2-OD2 2.86Å; R670-D673 PolarHBondContact NH2-OD2 2.78Å; R670-R674 WeakPolarHBondContact O-CA 3.38Å; R670-R674 PolarHBondContact O-N 3.46Å; R670-R675 PolarHBondContact N-O 3.26Å
671K92.4Very high92.6Very high71 Ų7142 Ų4231%0.30921%0.21SC..THydrogen-bonded Turntrans-65.2-37.2-175.5-67.7178.9-164.8171.10113I646 D647 C649 F650 D651 V669I646-K671 PolarHBondContact O-NZ 2.91Å; D647-K671 VanDerWaalsContact C-NZ 3.3Å; D647-K671 PolarHBondContact O-NZ 3.34Å; C649-K671 PolarHBondContact O-N 2.57Å; F650-K671 WeakPolarHBondContact O-CE 3.42Å; F650-K671 PolarHBondContact O-NZ 2.6Å; D651-K671 WeakPolarHBondContact OD1-CE 3.36Å; D651-K671 WeakPolarHBondContact OD1-CG 3.29Å; V669-K671 PolarHBondContact O-N 3.15Å
672S89.6Confident93.1Very high105 Ų10541.3 Ų41.373%0.73420%0.203SC*.THydrogen-bonded Turntrans-73.2-38.9-172.456.30000115.1R670R670-S672 WeakPolarHBondContact CD-OG 3.25Å; R670-S672 WeakPolarHBondContact CG-OG 3.03Å; R670-S672 PolarHBondContact O-N 3.23Å
673D89.4Confident93Very high62 Ų6242 Ų4233%0.33221%0.206SC..THydrogen-bonded Turntrans-124.12.4-176.668.8-10.3000114.4R670 R675R670-D673 IonicContact CZ-OD1 2.71Å; R670-D673 IonicContact CZ-OD2 2.67Å; R670-D673 IonicContact NE-OD1 2.73Å; R670-D673 PolarHBondContact NE-OD1 2.91Å; R670-D673 IonicContact NE-OD2 3.65Å; R670-D673 PolarHBondContact NE-OD2 3.28Å; R670-D673 IonicContact NH2-OD1 2.57Å; R670-D673 IonicContact NH2-OD2 2.86Å; R670-D673 PolarHBondContact NH2-OD2 2.78Å; D673-R675 PolarHBondContact O-N 3.35Å; D673-R675 VanDerWaalsContact O-N 3.11Å; D673-R675 PolarHBondContact OD1-N 3.49Å; D673-R675 WeakPolarHBondContact OD2-CD 3.02Å; D673-R675 WeakPolarHBondContact OD2-CG 3.21Å; D673-R675 IonicContact OD2-CZ 2.91Å; D673-R675 IonicContact OD2-NE 3.25Å; D673-R675 PolarHBondContact OD2-NE 2.96Å; D673-R675 IonicContact OD2-NH1 3.8Å
674R90.8Very high92.7Very high145 Ų14543 Ų4355%0.54721%0.213SC..  trans5815.5-178-51.1-54.8-60.2175.54.3114.9D651 R670D651-R674 IonicContact OD2-CZ 2.67Å; D651-R674 VanDerWaalsContact OD2-CZ 3.23Å; D651-R674 IonicContact OD2-NH1 3.8Å; D651-R674 PolarHBondContact OD2-NH1 3.07Å; D651-R674 IonicContact OD2-NH2 2.72Å; D651-R674 PolarHBondContact OD2-NH2 3.33Å; R670-R674 WeakPolarHBondContact O-CA 3.38Å; R670-R674 PolarHBondContact O-N 3.46Å
675R90.3Very high92.2Very high125 Ų12545.4 Ų45.447%0.47222%0.223SC..  trans-63.6146.1172.1-74.6-174.1-177.1162.82.4110.5E624 W635 V669 R670 D673E624-R675 IonicContact OE1-NH1 2.87Å; E624-R675 PolarHBondContact OE1-NH1 3.45Å; W635-R675 HydrophobicContact CZ2-CB 4.47Å; V669-R675 CarbonylContact C-O 3.34Å; V669-R675 WeakPolarHBondContact CA-O 3.49Å; R670-R675 PolarHBondContact N-O 3.26Å; D673-R675 PolarHBondContact O-N 3.35Å; D673-R675 VanDerWaalsContact O-N 3.11Å; D673-R675 PolarHBondContact OD1-N 3.49Å; D673-R675 WeakPolarHBondContact OD2-CD 3.02Å; D673-R675 WeakPolarHBondContact OD2-CG 3.21Å; D673-R675 IonicContact OD2-CZ 2.91Å; D673-R675 IonicContact OD2-NE 3.25Å; D673-R675 PolarHBondContact OD2-NE 2.96Å; D673-R675 IonicContact OD2-NH1 3.8Å
676R92.1Very high91.5Very high114 Ų11451.1 Ų51.143%0.4325%0.248SC..EExtended strand (participates in β ladder)trans-97155.1169.5-54.2-144.7-162.1-179.216.7110.8L632 K633 D667 A668 V669L632-R676 HydrophobicContact CD2-CB 3.83Å; K633-R676 PolarHBondContact N-O 3.18Å; D667-R676 VanDerWaalsContact OD1-CD 3.27Å; D667-R676 WeakPolarHBondContact OD1-CD 3.22Å; D667-R676 IonicContact OD1-CZ 2.68Å; D667-R676 IonicContact OD1-NE 3.1Å; D667-R676 IonicContact OD1-NH1 2.79Å; D667-R676 PolarHBondContact OD1-NH1 2.86Å; D667-R676 IonicContact OD2-NH1 2.67Å; D667-R676 PolarHBondContact OD2-NH1 3.46Å; A668-R676 CarbonylContact O-C 3.55Å; A668-R676 WeakPolarHBondContact O-CA 3.45Å; V669-R676 HydrophobicContact CG2-CG 4.08Å
677G93.1Very high91.1Very high0 Ų050.4 Ų50.40%024%0.241CC..EExtended strand (participates in β ladder)trans-176.4179.4176.200000111.6K633 W635 A668K633-G677 CarbonylContact O-C 3.58Å; K633-G677 WeakPolarHBondContact O-CA 3.47Å; W635-G677 VanDerWaalsContact CZ3-CA 3.42Å; A668-G677 WeakPolarHBondContact CA-O 3.38Å; A668-G677 WeakPolarHBondContact CB-O 3.36Å; A668-G677 PolarHBondContact N-O 2.72Å; A668-G677 PolarHBondContact O-N 2.79Å; A668-G677 VanDerWaalsContact O-O 3.12Å
678V95.5Very high91Very high0 Ų047.7 Ų47.70%023%0.226CC..EExtended strand (participates in β ladder)trans-97.5127.7171.6-170.80000108.4L632 K633 W635 T664 Y665 V700 A703 I704L632-V678 HydrophobicContact CD1-CG2 4.04Å; K633-V678 PolarHBondContact O-N 2.73Å; W635-V678 PolarHBondContact N-O 3.22Å; T664-V678 HydrophobicContact CG2-CG1 3.42Å; T664-V678 VanDerWaalsContact CG2-CG1 3.42Å; Y665-V678 WeakPolarHBondContact O-CA 3.02Å; V678-V700 HydrophobicContact CB-CG1 4.19Å; V678-V700 HydrophobicContact CB-CG2 4.45Å; V678-V700 HydrophobicContact CG1-CB 4.22Å; V678-V700 HydrophobicContact CG1-CG1 4.23Å; V678-V700 HydrophobicContact CG1-CG2 3.7Å; V678-V700 HydrophobicContact CG2-CG1 4.29Å; V678-A703 HydrophobicContact CG2-CB 3.85Å; V678-I704 HydrophobicContact CG2-CG1 4.31Å
679L96.3Very high90.7Very high0 Ų050.1 Ų50.10%024%0.243CC..EExtended strand (participates in β ladder)trans-102.8119.9172.8172.764.6000109.3W635 H637 L645 I646 F650 T664 Y665 A668W635-L679 HydrophobicContact CB-CD1 3.75Å; W635-L679 HydrophobicContact CE3-CB 4.46Å; H637-L679 HydrophobicContact CB-CD1 4.36Å; L645-L679 HydrophobicContact CD2-CD1 4.36Å; L645-L679 HydrophobicContact CD2-CD2 3.86Å; I646-L679 HydrophobicContact CG1-CD2 4.47Å; F650-L679 HydrophobicContact CD2-CD2 4.01Å; F650-L679 HydrophobicContact CE2-CD1 4.47Å; F650-L679 HydrophobicContact CE2-CD2 4.35Å; F650-L679 HydrophobicContact CG-CD2 4.22Å; T664-L679 CarbonylContact C-O 3.5Å; T664-L679 WeakPolarHBondContact CA-O 3.17Å; Y665-L679 HydrophobicContact CD2-CB 4.14Å; Y665-L679 HydrophobicContact CD2-CD2 4Å; Y665-L679 HydrophobicContact CD2-CG 4.05Å; Y665-L679 WeakPolarHBondContact CD2-O 3.4Å; Y665-L679 HydrophobicContact CE2-CD2 4.38Å; Y665-L679 PolarHBondContact N-O 3Å; Y665-L679 PolarHBondContact O-N 3.4Å; A668-L679 HydrophobicContact CB-CB 3.8Å
680V96.2Very high90.3Very high0 Ų056.1 Ų56.10%027%0.273CS..EExtended strand (participates in β ladder)trans-105.7138.6171.5-172.50000109.2L634 W635 V636 H637 V663 T664 F682 E696 V700L634-V680 HydrophobicContact CD1-CG2 3.91Å; W635-V680 PolarHBondContact O-N 2.87Å; V636-V680 WeakPolarHBondContact CA-O 3.43Å; H637-V680 PolarHBondContact N-O 2.68Å; V663-V680 CarbonylContact O-C 3.5Å; V663-V680 WeakPolarHBondContact O-CA 3.35Å; T664-V680 HydrophobicContact CG2-CG2 4.37Å; V680-F682 HydrophobicContact CG1-CD2 4.24Å; V680-F682 HydrophobicContact CG1-CE2 3.45Å; V680-F682 VanDerWaalsContact CG1-CE2 3.45Å; V680-F682 HydrophobicContact CG1-CZ 3.74Å; V680-E696 HydrophobicContact CG1-CB 3.69Å; V680-E696 HydrophobicContact CG1-CG 3.97Å; V680-V700 HydrophobicContact CG2-CG2 3.3Å
681S95Very high89.9Confident0 Ų061.7 Ų61.70%030%0.304CS..EExtended strand (participates in β ladder)trans-134.3136.2-180173.30000112.5H637 Y660 G662 V663H637-S681 PolarHBondContact ND1-OG 3.44Å; H637-S681 WeakPolarHBondContact O-CA 3.44Å; Y660-S681 PolarHBondContact OH-OG 2.82Å; G662-S681 CarbonylContact C-O 3.47Å; G662-S681 WeakPolarHBondContact CA-O 3.26Å; V663-S681 PolarHBondContact N-O 3.21Å; V663-S681 PolarHBondContact O-N 3.22Å
682F94Very high89.7Confident0 Ų063.3 Ų63.30%031%0.309CS..EExtended strand (participates in β ladder)trans-124139.4172.1-59-86.7000110.4V636 H637 I638 G639 V680 C684 M688 E696 I728V636-F682 HydrophobicContact CG1-CE2 4.46Å; H637-F682 PolarHBondContact O-N 3.4Å; I638-F682 WeakPolarHBondContact CA-O 3.47Å; G639-F682 PolarHBondContact N-O 2.85Å; V680-F682 HydrophobicContact CG1-CD2 4.24Å; V680-F682 HydrophobicContact CG1-CE2 3.45Å; V680-F682 VanDerWaalsContact CG1-CE2 3.45Å; V680-F682 HydrophobicContact CG1-CZ 3.74Å; F682-C684 VanDerWaalsContact C-N 3.29Å; F682-C684 PolarHBondContact O-N 2.97Å; F682-M688 HydrophobicContact CB-CG 3.68Å; F682-M688 HydrophobicContact CB-SD 4.13Å; F682-M688 HydrophobicContact CD1-CG 3.83Å; F682-M688 HydrophobicContact CD2-CE 3.61Å; F682-M688 HydrophobicContact CD2-CG 4.01Å; F682-M688 HydrophobicContact CD2-SD 4.03Å; F682-M688 HydrophobicContact CE1-CG 4.47Å; F682-M688 HydrophobicContact CE2-CE 3.76Å; F682-M688 HydrophobicContact CG-CE 4.18Å; F682-M688 HydrophobicContact CG-CG 3.56Å; F682-M688 HydrophobicContact CG-SD 4.11Å; F682-M688 HydrophobicContact CZ-CE 4.45Å; F682-E696 HydrophobicContact CE1-CB 4.46Å; F682-E696 HydrophobicContact CE1-CG 3.68Å; F682-E696 HydrophobicContact CZ-CB 3.97Å; F682-E696 HydrophobicContact CZ-CG 3.65Å; F682-I728 HydrophobicContact CE2-CG2 3.74Å; F682-I728 HydrophobicContact CZ-CG2 3.94Å
683P90Very high89.7Confident27 Ų2758.7 Ų58.718%0.17528%0.277CS..SBendtrans-64.8-29.5-176.6-20.630.9000114.6G639 Y660 G661G639-P683 CarbonylContact C-O 3.47Å; G639-P683 WeakPolarHBondContact O-CA 3.35Å; Y660-P683 HydrophobicContact CD2-CG 3.95Å; Y660-P683 HydrophobicContact CE1-CG 4.39Å; Y660-P683 HydrophobicContact CE2-CG 3.65Å; Y660-P683 HydrophobicContact CG-CG 4.45Å; Y660-P683 WeakPolarHBondContact O-CG 3.43Å; G661-P683 WeakPolarHBondContact O-CD 3.37Å
684C87Confident89.8Confident50 Ų5058.7 Ų58.734%0.33828%0.28SS..  trans-167.8165.1168.968.80000110.8F682 K686 V687F682-C684 VanDerWaalsContact C-N 3.29Å; F682-C684 PolarHBondContact O-N 2.97Å; C684-K686 PolarHBondContact O-N 3.11Å; C684-K686 VanDerWaalsContact O-N 3.11Å; C684-V687 PolarHBondContact O-N 3.04Å
685Q84.3Confident89.9Confident79 Ų7956.5 Ų56.537%0.36928%0.276SS..G310 helixtrans-54.8-30.5178.2-65.8-178.8-1300114I638 V687 M688 R732I638-Q685 HydrophobicContact CG2-CG 3.83Å; Q685-V687 PolarHBondContact O-N 3.38Å; Q685-M688 WeakPolarHBondContact O-CB 3.5Å; Q685-M688 PolarHBondContact O-N 2.86Å; Q685-R732 HydrophobicContact CB-CG 4.48Å; Q685-R732 HydrophobicContact CG-CG 4.39Å; Q685-R732 PolarHBondContact NE2-O 3.26Å; Q685-R732 VanDerWaalsContact NE2-O 3.12Å
686K81.9Confident90.1Very high151 Ų15151 Ų5166%0.65726%0.256SS*.G310 helixtrans-71.1-14.1-178.7-54-155.8-177.8-154.20113.7E578 C684E578-K686 IonicContact OE1-NZ 2.86Å; E578-K686 PolarHBondContact OE1-NZ 3.39Å; E578-K686 IonicContact OE2-NZ 3.5Å; E578-K686 PolarHBondContact OE2-NZ 3.46Å; C684-K686 PolarHBondContact O-N 3.11Å; C684-K686 VanDerWaalsContact O-N 3.11Å
687V84.3Confident90.2Very high44 Ų4445.5 Ų45.527%0.26724%0.235SC..G310 helixtrans-90.9-16.3172.3-175.40000111.6G661 C684 Q685 S689 Y692G661-V687 VanDerWaalsContact O-CG1 3.25Å; G661-V687 WeakPolarHBondContact O-CG1 3.39Å; C684-V687 PolarHBondContact O-N 3.04Å; Q685-V687 PolarHBondContact O-N 3.38Å; V687-S689 PolarHBondContact O-N 3.5Å; V687-Y692 HydrophobicContact CG1-CD2 4.16Å; V687-Y692 HydrophobicContact CG1-CE2 4.2Å; V687-Y692 VanDerWaalsContact O-CD2 3.24Å; V687-Y692 WeakPolarHBondContact O-CD2 3.3Å
688M88.8Confident90.2Very high3 Ų347.2 Ų47.22%0.01525%0.247CC..  trans-76.961.1179.6-58.2178.775.400112.4I638 F682 Q685 I728 R732I638-M688 HydrophobicContact CD1-CE 3.97Å; I638-M688 HydrophobicContact CD1-SD 3.6Å; I638-M688 HydrophobicContact CG1-CE 4.34Å; I638-M688 HydrophobicContact CG1-SD 3.85Å; I638-M688 HydrophobicContact CG2-SD 4.04Å; F682-M688 HydrophobicContact CB-CG 3.68Å; F682-M688 HydrophobicContact CB-SD 4.13Å; F682-M688 HydrophobicContact CD1-CG 3.83Å; F682-M688 HydrophobicContact CD2-CE 3.61Å; F682-M688 HydrophobicContact CD2-CG 4.01Å; F682-M688 HydrophobicContact CD2-SD 4.03Å; F682-M688 HydrophobicContact CE1-CG 4.47Å; F682-M688 HydrophobicContact CE2-CE 3.76Å; F682-M688 HydrophobicContact CG-CE 4.18Å; F682-M688 HydrophobicContact CG-CG 3.56Å; F682-M688 HydrophobicContact CG-SD 4.11Å; F682-M688 HydrophobicContact CZ-CE 4.45Å; Q685-M688 WeakPolarHBondContact O-CB 3.5Å; Q685-M688 PolarHBondContact O-N 2.86Å; M688-I728 HydrophobicContact CE-CG2 3.63Å; M688-R732 HydrophobicContact CB-CG 4.3Å; M688-R732 HydrophobicContact CE-CB 3.74Å; M688-R732 HydrophobicContact CE-CG 4.18Å; M688-R732 PolarHBondContact O-NH1 3.3Å; M688-R732 HydrophobicContact SD-CB 3.97Å; M688-R732 HydrophobicContact SD-CG 3.85Å
689S86.6Confident90.1Very high51 Ų5150.8 Ų50.836%0.35726%0.264SS..  trans-71.7161.4165.374.70000110.4V687 N691 Y692 C693V687-S689 PolarHBondContact O-N 3.5Å; S689-N691 PolarHBondContact O-N 2.9Å; S689-Y692 PolarHBondContact O-N 3.3Å; S689-Y692 WeakPolarHBondContact OG-CD2 3.24Å; S689-C693 PolarHBondContact O-N 2.85Å; S689-C693 PolarHBondContact O-SG 2.97Å; S689-C693 VanDerWaalsContact O-SG 3.32Å
690M86.5Confident90Very high134 Ų13450.8 Ų50.866%0.6626%0.264SS*.Hα-helixtrans-57.2-40.7-179.6-164.766.186.700111.7Y692 C693 C694M690-Y692 PolarHBondContact O-N 2.82Å; M690-C693 PolarHBondContact O-N 2.9Å; M690-C694 WeakPolarHBondContact O-CB 3.42Å; M690-C694 PolarHBondContact O-N 3.5Å; M690-C694 PolarHBondContact O-SG 3.22Å; M690-C694 VanDerWaalsContact O-SG 3.35Å
691N83.6Confident89.9Confident134 Ų13450.8 Ų50.872%0.71726%0.264SS*.Hα-helixtrans-57.4-45.6179.6-58.326.7000112.2S689 H695S689-N691 PolarHBondContact O-N 2.9Å; N691-H695 VanDerWaalsContact O-CB 3.29Å; N691-H695 WeakPolarHBondContact O-CB 3.24Å; N691-H695 PolarHBondContact O-N 3.49Å
692Y88.6Confident89.8Confident105 Ų10554.1 Ų54.141%0.41228%0.281SS..Hα-helixtrans-72.1-41.2176.6-73.7-63.7000111.9V687 S689 M690 C694 H695 E696V687-Y692 HydrophobicContact CG1-CD2 4.16Å; V687-Y692 HydrophobicContact CG1-CE2 4.2Å; V687-Y692 VanDerWaalsContact O-CD2 3.24Å; V687-Y692 WeakPolarHBondContact O-CD2 3.3Å; S689-Y692 PolarHBondContact O-N 3.3Å; S689-Y692 WeakPolarHBondContact OG-CD2 3.24Å; M690-Y692 PolarHBondContact O-N 2.82Å; Y692-C694 VanDerWaalsContact C-N 3.32Å; Y692-C694 PolarHBondContact O-N 2.97Å; Y692-H695 PolarHBondContact O-N 3.4Å; Y692-E696 WeakPolarHBondContact O-CG 3.46Å; Y692-E696 PolarHBondContact O-N 3.04Å
693C90.7Very high89.7Confident9 Ų954.5 Ų54.56%0.06128%0.284CS..Hα-helixtrans-59.4-41.7176.8-67.30000112.3S689 M690 A697 I728S689-C693 PolarHBondContact O-N 2.85Å; S689-C693 PolarHBondContact O-SG 2.97Å; S689-C693 VanDerWaalsContact O-SG 3.32Å; M690-C693 PolarHBondContact O-N 2.9Å; C693-A697 WeakPolarHBondContact O-CB 3.45Å; C693-A697 PolarHBondContact O-N 2.91Å; C693-I728 HydrophobicContact CB-CG2 4.11Å
694C90.4Very high89.8Confident61 Ų6153.2 Ų53.241%0.41228%0.276SS..Hα-helixtrans-70.8-39.6175.9-67.70000112.4M690 Y692 A697 S698M690-C694 WeakPolarHBondContact O-CB 3.42Å; M690-C694 PolarHBondContact O-N 3.5Å; M690-C694 PolarHBondContact O-SG 3.22Å; M690-C694 VanDerWaalsContact O-SG 3.35Å; Y692-C694 VanDerWaalsContact C-N 3.32Å; Y692-C694 PolarHBondContact O-N 2.97Å; C694-A697 PolarHBondContact O-N 3.03Å; C694-S698 PolarHBondContact O-N 3.27Å; C694-S698 PolarHBondContact O-OG 3.24Å
695H92.4Very high89.9Confident99 Ų9951.2 Ų51.246%0.45826%0.262SS..Hα-helixtrans-64.2-45178.5-17469.6000112.5N691 Y692 A697 S698 H699N691-H695 VanDerWaalsContact O-CB 3.29Å; N691-H695 WeakPolarHBondContact O-CB 3.24Å; N691-H695 PolarHBondContact O-N 3.49Å; Y692-H695 PolarHBondContact O-N 3.4Å; H695-A697 VanDerWaalsContact C-N 3.34Å; H695-S698 PolarHBondContact O-N 3.04Å; H695-S698 PolarHBondContact O-OG 3.32Å; H695-H699 AromaticContact CD2-NE2 3.47Å; H695-H699 PolarHBondContact CD2-NE2 3.41Å; H695-H699 AromaticContact CE1-CE1 3.92Å; H695-H699 AromaticContact CE1-NE2 3.37Å; H695-H699 PolarHBondContact CE1-NE2 3.28Å; H695-H699 AromaticContact ND1-NE2 3.98Å; H695-H699 AromaticContact NE2-CD2 3.97Å; H695-H699 AromaticContact NE2-CE1 3.9Å; H695-H699 AromaticContact NE2-NE2 3Å; H695-H699 PolarHBondContact NE2-NE2 3.1Å; H695-H699 PolarHBondContact O-CD2 2.89Å; H695-H699 PolarHBondContact O-N 3.47Å
696E94.5Very high90.1Very high9 Ų955 Ų554%0.04228%0.279CS..Hα-helixtrans-68.5-34.6172.8-58-48137.400111.7G662 V663 T664 V680 F682 Y692 S698 H699 V700G662-E696 VanDerWaalsContact CA-OE1 3.29Å; G662-E696 WeakPolarHBondContact CA-OE1 3.27Å; V663-E696 VanDerWaalsContact C-OE2 3.31Å; V663-E696 WeakPolarHBondContact CA-OE2 3.48Å; V663-E696 PolarHBondContact N-OE2 3.32Å; T664-E696 WeakPolarHBondContact CB-OE2 3.43Å; T664-E696 PolarHBondContact N-OE2 3.33Å; T664-E696 PolarHBondContact OG1-OE2 2.86Å; V680-E696 HydrophobicContact CG1-CB 3.69Å; V680-E696 HydrophobicContact CG1-CG 3.97Å; F682-E696 HydrophobicContact CE1-CB 4.46Å; F682-E696 HydrophobicContact CE1-CG 3.68Å; F682-E696 HydrophobicContact CZ-CB 3.97Å; F682-E696 HydrophobicContact CZ-CG 3.65Å; Y692-E696 WeakPolarHBondContact O-CG 3.46Å; Y692-E696 PolarHBondContact O-N 3.04Å; E696-S698 VanDerWaalsContact C-N 3.31Å; E696-S698 PolarHBondContact O-N 3.09Å; E696-H699 PolarHBondContact O-N 2.85Å; E696-H699 IonicContact OE2-CD2 2.69Å; E696-V700 VanDerWaalsContact O-CG2 3.27Å; E696-V700 WeakPolarHBondContact O-CG2 3.48Å; E696-V700 PolarHBondContact O-N 2.91Å; E696-V700 VanDerWaalsContact O-N 3.14Å
697A94.4Very high90.3Very high0 Ų051.9 Ų51.90%027%0.267CS..Hα-helixtrans-61.3-37.4176.100000112.8C693 C694 H695 V700 C701 M721 I724 I728C693-A697 WeakPolarHBondContact O-CB 3.45Å; C693-A697 PolarHBondContact O-N 2.91Å; C694-A697 PolarHBondContact O-N 3.03Å; H695-A697 VanDerWaalsContact C-N 3.34Å; A697-V700 PolarHBondContact O-N 2.9Å; A697-C701 PolarHBondContact O-N 2.67Å; A697-M721 HydrophobicContact CB-SD 3.91Å; A697-I724 HydrophobicContact CB-CB 4.34Å; A697-I724 HydrophobicContact CB-CG2 3.7Å; A697-I728 HydrophobicContact CB-CD1 4.25Å
698S93.5Very high90.3Very high36 Ų3651.8 Ų51.825%0.25227%0.267SS..Hα-helixtrans-60.7-49.5173.132.70000112.3C694 H695 E696 V700 C701 D702C694-S698 PolarHBondContact O-N 3.27Å; C694-S698 PolarHBondContact O-OG 3.24Å; H695-S698 PolarHBondContact O-N 3.04Å; H695-S698 PolarHBondContact O-OG 3.32Å; E696-S698 VanDerWaalsContact C-N 3.31Å; E696-S698 PolarHBondContact O-N 3.09Å; S698-V700 PolarHBondContact O-N 2.68Å; S698-V700 VanDerWaalsContact O-N 3.13Å; S698-C701 WeakPolarHBondContact O-CA 3.39Å; S698-C701 WeakPolarHBondContact O-CB 3.49Å; S698-C701 PolarHBondContact O-N 2.95Å; S698-D702 VanDerWaalsContact O-CG 3.22Å; S698-D702 PolarHBondContact O-N 2.92Å; S698-D702 VanDerWaalsContact O-OD1 3.1Å
699H94.1Very high90Very high75 Ų7559.4 Ų59.435%0.34731%0.307SS..Hα-helixtrans-60.3-28178.3-60.4-49.9000113.3T664 H695 E696 A703T664-H699 HydrophobicContact CG2-CB 3.76Å; H695-H699 AromaticContact CD2-NE2 3.47Å; H695-H699 PolarHBondContact CD2-NE2 3.41Å; H695-H699 AromaticContact CE1-CE1 3.92Å; H695-H699 AromaticContact CE1-NE2 3.37Å; H695-H699 PolarHBondContact CE1-NE2 3.28Å; H695-H699 AromaticContact ND1-NE2 3.98Å; H695-H699 AromaticContact NE2-CD2 3.97Å; H695-H699 AromaticContact NE2-CE1 3.9Å; H695-H699 AromaticContact NE2-NE2 3Å; H695-H699 PolarHBondContact NE2-NE2 3.1Å; H695-H699 PolarHBondContact O-CD2 2.89Å; H695-H699 PolarHBondContact O-N 3.47Å; E696-H699 PolarHBondContact O-N 2.85Å; E696-H699 IonicContact OE2-CD2 2.69Å; H699-A703 WeakPolarHBondContact O-CB 3.15Å; H699-A703 PolarHBondContact O-N 3.18Å
700V94.3Very high89.8Confident0 Ų061.1 Ų61.10%031%0.312CS..Hα-helixtrans-76.2-36.8173.3178.20000111.8L634 T664 V678 V680 E696 A697 S698 I704 I724L634-V700 HydrophobicContact CD1-CG1 3.93Å; L634-V700 HydrophobicContact CD1-CG2 4.17Å; T664-V700 HydrophobicContact CG2-CG2 3.98Å; V678-V700 HydrophobicContact CB-CG1 4.19Å; V678-V700 HydrophobicContact CB-CG2 4.45Å; V678-V700 HydrophobicContact CG1-CB 4.22Å; V678-V700 HydrophobicContact CG1-CG1 4.23Å; V678-V700 HydrophobicContact CG1-CG2 3.7Å; V678-V700 HydrophobicContact CG2-CG1 4.29Å; V680-V700 HydrophobicContact CG2-CG2 3.3Å; E696-V700 VanDerWaalsContact O-CG2 3.27Å; E696-V700 WeakPolarHBondContact O-CG2 3.48Å; E696-V700 PolarHBondContact O-N 2.91Å; E696-V700 VanDerWaalsContact O-N 3.14Å; A697-V700 PolarHBondContact O-N 2.9Å; S698-V700 PolarHBondContact O-N 2.68Å; S698-V700 VanDerWaalsContact O-N 3.13Å; V700-I704 HydrophobicContact CG1-CD1 3.87Å; V700-I704 VanDerWaalsContact O-CG1 3.27Å; V700-I704 WeakPolarHBondContact O-CG1 3.42Å; V700-I704 PolarHBondContact O-N 3.16Å; V700-I704 VanDerWaalsContact O-N 3.13Å; V700-I724 HydrophobicContact CB-CD1 3.94Å; V700-I724 HydrophobicContact CB-CG1 4.39Å; V700-I724 HydrophobicContact CB-CG2 3.84Å; V700-I724 HydrophobicContact CG1-CB 4.44Å; V700-I724 HydrophobicContact CG1-CD1 3.59Å; V700-I724 HydrophobicContact CG1-CG1 3.73Å; V700-I724 HydrophobicContact CG1-CG2 3.8Å; V700-I724 HydrophobicContact CG2-CG2 4.16Å
701C93.6Very high89.6Confident0 Ų063.7 Ų63.70%032%0.322CS..Hα-helixtrans-63-55.5176.9-150.50000109.7A697 S698 A703 I704 E705 M721 I724A697-C701 PolarHBondContact O-N 2.67Å; S698-C701 WeakPolarHBondContact O-CA 3.39Å; S698-C701 WeakPolarHBondContact O-CB 3.49Å; S698-C701 PolarHBondContact O-N 2.95Å; C701-A703 VanDerWaalsContact C-N 3.28Å; C701-A703 PolarHBondContact O-N 3.46Å; C701-I704 PolarHBondContact O-N 3.49Å; C701-E705 WeakPolarHBondContact O-CG 3.24Å; C701-E705 PolarHBondContact O-N 3.41Å; C701-E705 PolarHBondContact SG-OE1 2.82Å; C701-M721 HydrophobicContact CB-CE 3.59Å; C701-M721 HydrophobicContact CB-SD 4.09Å; C701-I724 HydrophobicContact CB-CD1 4.01Å
702D92.5Very high89.7Confident69 Ų6963 Ų6337%0.36932%0.315SS..Hα-helixtrans-53.3-44.9177.9-55.8-2.2000111.3S698 I704 E705 E706 H712S698-D702 VanDerWaalsContact O-CG 3.22Å; S698-D702 PolarHBondContact O-N 2.92Å; S698-D702 VanDerWaalsContact O-OD1 3.1Å; D702-I704 VanDerWaalsContact C-N 3.34Å; D702-I704 PolarHBondContact O-N 3Å; D702-E705 PolarHBondContact O-N 3.37Å; D702-E706 WeakPolarHBondContact O-CB 3.49Å; D702-E706 PolarHBondContact O-N 2.85Å; D702-H712 IonicContact OD1-CE1 3.96Å; D702-H712 PolarHBondContact OD1-CE1 2.82Å; D702-H712 IonicContact OD1-ND1 3.21Å
703A92.1Very high89.2Confident8 Ų859.6 Ų59.67%0.06631%0.312CS..Hα-helixtrans-68.6-26.5179.500000114.4S666 V678 H699 C701 H707S666-A703 VanDerWaalsContact CB-CB 3.44Å; V678-A703 HydrophobicContact CG2-CB 3.85Å; H699-A703 WeakPolarHBondContact O-CB 3.15Å; H699-A703 PolarHBondContact O-N 3.18Å; C701-A703 VanDerWaalsContact C-N 3.28Å; C701-A703 PolarHBondContact O-N 3.46Å; A703-H707 WeakPolarHBondContact O-CB 3.46Å; A703-H707 PolarHBondContact O-N 3.21Å
704I90.8Very high88.8Confident1 Ų162.2 Ų62.21%0.00534%0.34CS..Hα-helixtrans-81.1-39.6175.4-73.3170.3000110.3Y630 L632 V678 V700 C701 D702 H707 T708 L720 I724Y630-I704 HydrophobicContact CD1-CG2 3.32Å; Y630-I704 HydrophobicContact CE1-CG2 3.97Å; Y630-I704 HydrophobicContact CG-CG2 3.67Å; L632-I704 HydrophobicContact CB-CG1 4.26Å; L632-I704 HydrophobicContact CD1-CG1 4.13Å; V678-I704 HydrophobicContact CG2-CG1 4.31Å; V700-I704 HydrophobicContact CG1-CD1 3.87Å; V700-I704 VanDerWaalsContact O-CG1 3.27Å; V700-I704 WeakPolarHBondContact O-CG1 3.42Å; V700-I704 PolarHBondContact O-N 3.16Å; V700-I704 VanDerWaalsContact O-N 3.13Å; C701-I704 PolarHBondContact O-N 3.49Å; D702-I704 VanDerWaalsContact C-N 3.34Å; D702-I704 PolarHBondContact O-N 3Å; I704-H707 PolarHBondContact O-N 3.03Å; I704-T708 PolarHBondContact O-N 2.96Å; I704-T708 PolarHBondContact O-OG1 2.93Å; I704-L720 HydrophobicContact CB-CD2 4.07Å; I704-L720 HydrophobicContact CD1-CD1 4.04Å; I704-L720 HydrophobicContact CG2-CD1 4.3Å; I704-L720 HydrophobicContact CG2-CD2 3.69Å; I704-I724 HydrophobicContact CD1-CD1 4.43Å
705E89.9Confident88.4Confident8 Ų866.1 Ų66.14%0.03735%0.353CS..Hα-helixtrans-68.5-47178.5-69.9161.1178.700111.4C701 D702 H707 T708 D709 L710 H712 S717 L720C701-E705 WeakPolarHBondContact O-CG 3.24Å; C701-E705 PolarHBondContact O-N 3.41Å; C701-E705 PolarHBondContact SG-OE1 2.82Å; D702-E705 PolarHBondContact O-N 3.37Å; E705-H707 PolarHBondContact O-N 3.24Å; E705-T708 CarbonylContact O-C 3.56Å; E705-T708 PolarHBondContact O-N 3.09Å; E705-T708 PolarHBondContact O-OG1 2.92Å; E705-D709 PolarHBondContact O-N 3.43Å; E705-D709 VanDerWaalsContact O-N 3.07Å; E705-L710 HydrophobicContact CB-CB 4.26Å; E705-L710 HydrophobicContact CG-CB 4.3Å; E705-L710 PolarHBondContact O-N 2.66Å; E705-H712 IonicContact OE2-CE1 2.9Å; E705-H712 IonicContact OE2-CG 3.63Å; E705-H712 IonicContact OE2-ND1 3.84Å; E705-H712 PolarHBondContact OE2-ND1 3.46Å; E705-S717 WeakPolarHBondContact OE1-CA 3.46Å; E705-S717 WeakPolarHBondContact OE1-CB 3.47Å; E705-S717 PolarHBondContact OE1-OG 3.49Å; E705-L720 HydrophobicContact CG-CD2 4.14Å
706E89.3Confident87.8Confident157 Ų15765.3 Ų65.373%0.73436%0.356SS*.Hα-helixtrans-57-34.8172.2-173.8-174.6-159.700111.7D702 T708D702-E706 WeakPolarHBondContact O-CB 3.49Å; D702-E706 PolarHBondContact O-N 2.85Å; E706-T708 VanDerWaalsContact C-N 3.29Å; E706-T708 PolarHBondContact O-N 2.87Å
707H86.6Confident87.5Confident87 Ų8765.3 Ų65.340%0.40336%0.357SS..THydrogen-bonded Turntrans-77.8-11.9177.8-162.987.9000114.1L632 A703 I704 E705L632-H707 HydrophobicContact CD1-CB 3.79Å; L632-H707 HydrophobicContact CG-CB 4.17Å; A703-H707 WeakPolarHBondContact O-CB 3.46Å; A703-H707 PolarHBondContact O-N 3.21Å; I704-H707 PolarHBondContact O-N 3.03Å; E705-H707 PolarHBondContact O-N 3.24Å
708T83.4Confident87.2Confident41 Ų4168.3 Ų68.325%0.25238%0.382SS..THydrogen-bonded Turntrans-119.96.9-175.848.50000114Y630 P631 I704 E705 E706 L710Y630-T708 HydrophobicContact CD1-CG2 4.39Å; P631-T708 VanDerWaalsContact CD-CG2 3.48Å; P631-T708 HydrophobicContact CG-CG2 3.82Å; I704-T708 PolarHBondContact O-N 2.96Å; I704-T708 PolarHBondContact O-OG1 2.93Å; E705-T708 CarbonylContact O-C 3.56Å; E705-T708 PolarHBondContact O-N 3.09Å; E705-T708 PolarHBondContact O-OG1 2.92Å; E706-T708 VanDerWaalsContact C-N 3.29Å; E706-T708 PolarHBondContact O-N 2.87Å; T708-L710 PolarHBondContact O-N 3.18Å; T708-L710 WeakPolarHBondContact OG1-CD1 3.04Å; T708-L710 WeakPolarHBondContact OG1-CG 3.49Å
709D82.9Confident86.8Confident163 Ų16374.9 Ų74.987%0.87240%0.402SS*.THydrogen-bonded Turntrans53.133.4-174.3-62.5-55.2000112.5E705E705-D709 PolarHBondContact O-N 3.43Å; E705-D709 VanDerWaalsContact O-N 3.07Å
710L81.9Confident86.6Confident87 Ų8771.6 Ų71.646%0.45539%0.387SS..PPolyproline II helixtrans-87.3146.7177.5-70177.4000111.8Y630 E705 T708Y630-L710 HydrophobicContact CD1-CD1 4.44Å; Y630-L710 HydrophobicContact CE1-CD1 3.69Å; E705-L710 HydrophobicContact CB-CB 4.26Å; E705-L710 HydrophobicContact CG-CB 4.3Å; E705-L710 PolarHBondContact O-N 2.66Å; T708-L710 PolarHBondContact O-N 3.18Å; T708-L710 WeakPolarHBondContact OG1-CD1 3.04Å; T708-L710 WeakPolarHBondContact OG1-CG 3.49Å
711E82.4Confident86.4Confident188 Ų18874.1 Ų74.188%0.87940%0.4SS*.PPolyproline II helixtrans-78.8125.8172.9-173.4162-152.500110G713E711-G713 PolarHBondContact O-N 2.88Å
712H84.8Confident86.3Confident119 Ų11976.2 Ų76.255%0.55142%0.421SS*.SBendtrans-72.7118.2-177.8179.391.8000111.3D702 E705D702-H712 IonicContact OD1-CE1 3.96Å; D702-H712 PolarHBondContact OD1-CE1 2.82Å; D702-H712 IonicContact OD1-ND1 3.21Å; E705-H712 IonicContact OE2-CE1 2.9Å; E705-H712 IonicContact OE2-CG 3.63Å; E705-H712 IonicContact OE2-ND1 3.84Å; E705-H712 PolarHBondContact OE2-ND1 3.46Å
713G79.2Confident86.3Confident34 Ų3476.2 Ų76.235%0.35142%0.416SS..  trans138.9-177.5173.800000114.3E711 S717E711-G713 PolarHBondContact O-N 2.88Å; G713-S717 PolarHBondContact N-OG 2.86Å; G713-S717 PolarHBondContact O-OG 3.17Å
714G82.5Confident86.4Confident64 Ų6475.8 Ų75.866%0.6641%0.413SS*.Hα-helixtrans62.5-162.6-179.800000114.2A718G714-A718 PolarHBondContact O-N 3.4Å
715E80.4Confident86.5Confident144 Ų14477.2 Ų77.267%0.67342%0.424SS*.Hα-helixtrans-61.7-39.5-179-58.8-169.315900114.9S717 A718 Y719E715-S717 PolarHBondContact O-N 3.35Å; E715-A718 PolarHBondContact O-N 2.65Å; E715-A718 VanDerWaalsContact O-N 3.12Å; E715-Y719 HydrophobicContact CB-CD2 4.29Å; E715-Y719 HydrophobicContact CB-CE2 4.37Å; E715-Y719 VanDerWaalsContact O-CD2 3.31Å; E715-Y719 WeakPolarHBondContact O-CD2 3.34Å; E715-Y719 PolarHBondContact O-N 3.09Å
716P81.9Confident86.5Confident81 Ų8179.6 Ų79.653%0.52644%0.442SS..Hα-helixtrans-59.5-46.5-177.6-25.536000112.6Y719 L720P716-Y719 PolarHBondContact O-N 3.49Å; P716-L720 WeakPolarHBondContact O-CB 3.49Å; P716-L720 PolarHBondContact O-N 3.35Å
717S87.7Confident86.7Confident9 Ų972.4 Ų72.46%0.06341%0.409CS..Hα-helixtrans-63.8-40.1173.9-61.30000111.7E705 G713 E715 L720 M721E705-S717 WeakPolarHBondContact OE1-CA 3.46Å; E705-S717 WeakPolarHBondContact OE1-CB 3.47Å; E705-S717 PolarHBondContact OE1-OG 3.49Å; G713-S717 PolarHBondContact N-OG 2.86Å; G713-S717 PolarHBondContact O-OG 3.17Å; E715-S717 PolarHBondContact O-N 3.35Å; S717-L720 PolarHBondContact O-N 3.01Å; S717-M721 WeakPolarHBondContact O-CB 3.39Å; S717-M721 PolarHBondContact O-N 3.26Å
718A87Confident87.1Confident63 Ų6368.2 Ų68.252%0.52139%0.39SS..Hα-helixtrans-63-43.3177.200000112.8G714 E715 G722G714-A718 PolarHBondContact O-N 3.4Å; E715-A718 PolarHBondContact O-N 2.65Å; E715-A718 VanDerWaalsContact O-N 3.12Å; A718-G722 PolarHBondContact O-N 2.82Å
719Y85.7Confident87.4Confident175 Ų17568.8 Ų68.869%0.68639%0.391SS*.Hα-helixtrans-65.8-40.3174.5-84.1-67.4000112.4E715 P716 G722 W723E715-Y719 HydrophobicContact CB-CD2 4.29Å; E715-Y719 HydrophobicContact CB-CE2 4.37Å; E715-Y719 VanDerWaalsContact O-CD2 3.31Å; E715-Y719 WeakPolarHBondContact O-CD2 3.34Å; E715-Y719 PolarHBondContact O-N 3.09Å; P716-Y719 PolarHBondContact O-N 3.49Å; Y719-G722 PolarHBondContact O-N 2.67Å; Y719-W723 PolarHBondContact O-N 2.93Å
720L89.7Confident87.6Confident5 Ų563.1 Ų63.13%0.02636%0.36CS..Hα-helixtrans-63.1-49175.4177.454.8000111.1Y630 I704 E705 P716 S717 G722 W723 I724Y630-L720 HydrophobicContact CD2-CD1 4.15Å; Y630-L720 HydrophobicContact CE1-CD2 4.09Å; Y630-L720 HydrophobicContact CE2-CD1 3.89Å; I704-L720 HydrophobicContact CB-CD2 4.07Å; I704-L720 HydrophobicContact CD1-CD1 4.04Å; I704-L720 HydrophobicContact CG2-CD1 4.3Å; I704-L720 HydrophobicContact CG2-CD2 3.69Å; E705-L720 HydrophobicContact CG-CD2 4.14Å; P716-L720 WeakPolarHBondContact O-CB 3.49Å; P716-L720 PolarHBondContact O-N 3.35Å; S717-L720 PolarHBondContact O-N 3.01Å; L720-G722 VanDerWaalsContact C-N 3.33Å; L720-G722 PolarHBondContact O-N 3.04Å; L720-W723 HydrophobicContact CD1-CE3 4.45Å; L720-W723 WeakPolarHBondContact O-CB 3.29Å; L720-W723 PolarHBondContact O-N 3.27Å; L720-W723 VanDerWaalsContact O-N 3.14Å; L720-I724 HydrophobicContact CD1-CD1 3.91Å; L720-I724 HydrophobicContact CD1-CG1 4.21Å; L720-I724 HydrophobicContact CG-CD1 3.83Å; L720-I724 WeakPolarHBondContact O-CD1 3.32Å; L720-I724 VanDerWaalsContact O-CG1 3.25Å; L720-I724 WeakPolarHBondContact O-CG1 3.25Å; L720-I724 PolarHBondContact O-N 3.01Å
721M91.4Very high87.9Confident54 Ų5459 Ų5927%0.26634%0.339SS..Hα-helixtrans-55.3-46.1174.7-163.974.566.900111.8A697 C701 S717 W723 I724 A725A697-M721 HydrophobicContact CB-SD 3.91Å; C701-M721 HydrophobicContact CB-CE 3.59Å; C701-M721 HydrophobicContact CB-SD 4.09Å; S717-M721 WeakPolarHBondContact O-CB 3.39Å; S717-M721 PolarHBondContact O-N 3.26Å; M721-W723 PolarHBondContact O-N 3.47Å; M721-I724 PolarHBondContact O-N 3.05Å; M721-A725 WeakPolarHBondContact O-CB 3.08Å; M721-A725 PolarHBondContact O-N 3.43Å
722G89.6Confident88.1Confident43 Ų4354 Ų5444%0.44331%0.312SS..Hα-helixtrans-62.2-40.1176.600000113A718 Y719 L720 S726A718-G722 PolarHBondContact O-N 2.82Å; Y719-G722 PolarHBondContact O-N 2.67Å; L720-G722 VanDerWaalsContact C-N 3.33Å; L720-G722 PolarHBondContact O-N 3.04Å; G722-S726 VanDerWaalsContact O-CB 3.23Å; G722-S726 WeakPolarHBondContact O-CB 3.19Å; G722-S726 PolarHBondContact O-N 2.77Å
723W92.4Very high87.9Confident69 Ų6953.1 Ų53.126%0.26131%0.311SS..Hα-helixtrans-65.8-43.5174.1179.880.5000112.3N627 L634 Y719 L720 M721 S726 C727N627-W723 HydrophobicContact CB-CD2 3.91Å; N627-W723 HydrophobicContact CB-CE3 4.14Å; N627-W723 HydrophobicContact CB-CH2 3.95Å; N627-W723 HydrophobicContact CB-CZ2 3.66Å; N627-W723 HydrophobicContact CB-CZ3 4.17Å; N627-W723 VanDerWaalsContact N-CZ2 3.29Å; N627-W723 WeakPolarHBondContact ND2-CZ3 3.43Å; L634-W723 HydrophobicContact CB-CH2 4.07Å; L634-W723 HydrophobicContact CB-CZ3 4.18Å; L634-W723 HydrophobicContact CD2-CH2 4.29Å; L634-W723 HydrophobicContact CD2-CZ3 3.98Å; Y719-W723 PolarHBondContact O-N 2.93Å; L720-W723 HydrophobicContact CD1-CE3 4.45Å; L720-W723 WeakPolarHBondContact O-CB 3.29Å; L720-W723 PolarHBondContact O-N 3.27Å; L720-W723 VanDerWaalsContact O-N 3.14Å; M721-W723 PolarHBondContact O-N 3.47Å; W723-S726 WeakPolarHBondContact O-CB 3.32Å; W723-S726 PolarHBondContact O-N 3.45Å; W723-C727 VanDerWaalsContact CZ2-SG 3.55Å; W723-C727 PolarHBondContact O-N 3.34Å; W723-C727 PolarHBondContact O-SG 3.15Å
724I94.4Very high88Confident0 Ų052.3 Ų52.30%030%0.303CS..Hα-helixtrans-62.5-51177.6-64.8158000110.7L634 A697 V700 C701 I704 L720 M721 S726 C727 I728L634-I724 HydrophobicContact CD2-CG2 4.13Å; A697-I724 HydrophobicContact CB-CB 4.34Å; A697-I724 HydrophobicContact CB-CG2 3.7Å; V700-I724 HydrophobicContact CB-CD1 3.94Å; V700-I724 HydrophobicContact CB-CG1 4.39Å; V700-I724 HydrophobicContact CB-CG2 3.84Å; V700-I724 HydrophobicContact CG1-CB 4.44Å; V700-I724 HydrophobicContact CG1-CD1 3.59Å; V700-I724 HydrophobicContact CG1-CG1 3.73Å; V700-I724 HydrophobicContact CG1-CG2 3.8Å; V700-I724 HydrophobicContact CG2-CG2 4.16Å; C701-I724 HydrophobicContact CB-CD1 4.01Å; I704-I724 HydrophobicContact CD1-CD1 4.43Å; L720-I724 HydrophobicContact CD1-CD1 3.91Å; L720-I724 HydrophobicContact CD1-CG1 4.21Å; L720-I724 HydrophobicContact CG-CD1 3.83Å; L720-I724 WeakPolarHBondContact O-CD1 3.32Å; L720-I724 VanDerWaalsContact O-CG1 3.25Å; L720-I724 WeakPolarHBondContact O-CG1 3.25Å; L720-I724 PolarHBondContact O-N 3.01Å; M721-I724 PolarHBondContact O-N 3.05Å; I724-S726 VanDerWaalsContact C-N 3.28Å; I724-S726 PolarHBondContact O-N 2.95Å; I724-C727 WeakPolarHBondContact O-CB 3.49Å; I724-C727 PolarHBondContact O-N 3.2Å; I724-I728 HydrophobicContact CG2-CD1 3.91Å; I724-I728 HydrophobicContact CG2-CG1 4.48Å; I724-I728 WeakPolarHBondContact O-CG1 3.04Å; I724-I728 PolarHBondContact O-N 3.47Å
725A92.8Very high87.6Confident31 Ų3153.7 Ų53.726%0.25629%0.294SS..Hα-helixtrans-61.3-37.9179.300000111.8M721 I728 N729M721-A725 WeakPolarHBondContact O-CB 3.08Å; M721-A725 PolarHBondContact O-N 3.43Å; A725-I728 PolarHBondContact O-N 2.9Å; A725-N729 WeakPolarHBondContact O-CB 3.25Å; A725-N729 PolarHBondContact O-N 2.62Å
726S90.9Very high87.5Confident58 Ų5848.7 Ų48.741%0.40628%0.281SS..Hα-helixtrans-60.2-47.4170.9-175.50000111.5G722 W723 I724 I728 N729 N730G722-S726 VanDerWaalsContact O-CB 3.23Å; G722-S726 WeakPolarHBondContact O-CB 3.19Å; G722-S726 PolarHBondContact O-N 2.77Å; W723-S726 WeakPolarHBondContact O-CB 3.32Å; W723-S726 PolarHBondContact O-N 3.45Å; I724-S726 VanDerWaalsContact C-N 3.28Å; I724-S726 PolarHBondContact O-N 2.95Å; S726-I728 PolarHBondContact O-N 3.36Å; S726-N729 PolarHBondContact O-N 2.95Å; S726-N730 VanDerWaalsContact O-CB 3.31Å; S726-N730 WeakPolarHBondContact O-CB 3.17Å; S726-N730 PolarHBondContact O-N 3.02Å; S726-N730 PolarHBondContact O-ND2 3.41Å; S726-N730 PolarHBondContact OG-ND2 2.76Å
727C94Very high87.8Confident5 Ų550.8 Ų50.83%0.03429%0.287CS..Hα-helixtrans-61.5-43.4176.6-68.10000113.1Y625 L634 W723 I724 N729 N730 A731Y625-C727 HydrophobicContact CD1-CB 4.14Å; Y625-C727 HydrophobicContact CD2-CB 3.74Å; Y625-C727 HydrophobicContact CE1-CB 4.42Å; Y625-C727 HydrophobicContact CE2-CB 4.03Å; Y625-C727 HydrophobicContact CG-CB 3.79Å; Y625-C727 PolarHBondContact OH-O 3.41Å; L634-C727 HydrophobicContact CD2-CB 3.71Å; W723-C727 VanDerWaalsContact CZ2-SG 3.55Å; W723-C727 PolarHBondContact O-N 3.34Å; W723-C727 PolarHBondContact O-SG 3.15Å; I724-C727 WeakPolarHBondContact O-CB 3.49Å; I724-C727 PolarHBondContact O-N 3.2Å; C727-N729 PolarHBondContact O-N 2.89Å; C727-N730 PolarHBondContact O-N 3.34Å; C727-A731 PolarHBondContact O-N 3.1Å
728I93.5Very high87.8Confident0 Ų052.9 Ų52.90%030%0.295CS..Hα-helixtrans-62.9-42.2176.2-67.2171.5000111V636 F682 M688 C693 A697 I724 A725 S726 R732V636-I728 HydrophobicContact CG2-CG1 4.21Å; F682-I728 HydrophobicContact CE2-CG2 3.74Å; F682-I728 HydrophobicContact CZ-CG2 3.94Å; M688-I728 HydrophobicContact CE-CG2 3.63Å; C693-I728 HydrophobicContact CB-CG2 4.11Å; A697-I728 HydrophobicContact CB-CD1 4.25Å; I724-I728 HydrophobicContact CG2-CD1 3.91Å; I724-I728 HydrophobicContact CG2-CG1 4.48Å; I724-I728 WeakPolarHBondContact O-CG1 3.04Å; I724-I728 PolarHBondContact O-N 3.47Å; A725-I728 PolarHBondContact O-N 2.9Å; S726-I728 PolarHBondContact O-N 3.36Å; I728-R732 PolarHBondContact O-N 3.22Å; I728-R732 VanDerWaalsContact O-N 3.09Å
729N89.8Confident87.9Confident53 Ų5352.2 Ų52.228%0.28329%0.285SS..Hα-helixtrans-69.3-35.6175.5178.166.2000112.7A725 S726 C727 R732 L733A725-N729 WeakPolarHBondContact O-CB 3.25Å; A725-N729 PolarHBondContact O-N 2.62Å; S726-N729 PolarHBondContact O-N 2.95Å; C727-N729 PolarHBondContact O-N 2.89Å; N729-R732 WeakPolarHBondContact O-CB 3.42Å; N729-R732 PolarHBondContact O-N 3.32Å; N729-R732 PolarHBondContact OD1-NE 2.96Å; N729-R732 PolarHBondContact OD1-NH2 3.48Å; N729-L733 VanDerWaalsContact O-CG 3.31Å; N729-L733 WeakPolarHBondContact O-CG 3.06Å; N729-L733 PolarHBondContact O-N 3Å
730N87.4Confident87.9Confident43 Ų4347.8 Ų47.823%0.2327%0.27CS..Hα-helixtrans-64.7-43.2175.4-71.7-31.2000110.8Y625 S726 C727 R732 L733 G734 I735Y625-N730 HydrophobicContact CE1-CB 4.45Å; S726-N730 VanDerWaalsContact O-CB 3.31Å; S726-N730 WeakPolarHBondContact O-CB 3.17Å; S726-N730 PolarHBondContact O-N 3.02Å; S726-N730 PolarHBondContact O-ND2 3.41Å; S726-N730 PolarHBondContact OG-ND2 2.76Å; C727-N730 PolarHBondContact O-N 3.34Å; N730-R732 VanDerWaalsContact C-N 3.33Å; N730-R732 PolarHBondContact O-N 2.96Å; N730-L733 CarbonylContact O-C 3.37Å; N730-L733 WeakPolarHBondContact O-CA 3.49Å; N730-L733 PolarHBondContact O-N 3.45Å; N730-G734 PolarHBondContact O-N 2.89Å; N730-G734 VanDerWaalsContact O-N 3.11Å; N730-I735 CarbonylContact C-O 3.59Å; N730-I735 HydrophobicContact CB-CB 4.05Å; N730-I735 HydrophobicContact CB-CG2 4.35Å; N730-I735 WeakPolarHBondContact CB-O 3.24Å; N730-I735 PolarHBondContact O-N 3.48Å
731A89Confident87.6Confident0 Ų048.7 Ų48.70%028%0.275CS..Hα-helixtrans-58.6-43.5172.100000111.9Y623 Y625 V636 I638 C727 L733 G734Y623-A731 HydrophobicContact CD2-CB 3.49Å; Y623-A731 VanDerWaalsContact CD2-CB 3.49Å; Y623-A731 HydrophobicContact CE2-CB 3.97Å; Y623-A731 WeakPolarHBondContact CE2-O 3.45Å; Y623-A731 HydrophobicContact CG-CB 3.93Å; Y625-A731 HydrophobicContact CE2-CB 4.23Å; Y625-A731 VanDerWaalsContact OH-CA 3.31Å; Y625-A731 WeakPolarHBondContact OH-CA 3.34Å; Y625-A731 WeakPolarHBondContact OH-CB 3.34Å; Y625-A731 PolarHBondContact OH-N 3.18Å; V636-A731 HydrophobicContact CB-CB 3.79Å; V636-A731 HydrophobicContact CG1-CB 3.61Å; V636-A731 HydrophobicContact CG2-CB 4.4Å; I638-A731 HydrophobicContact CD1-CB 4.01Å; I638-A731 WeakPolarHBondContact CD1-O 3.38Å; C727-A731 PolarHBondContact O-N 3.1Å; A731-L733 PolarHBondContact O-N 3.43Å; A731-G734 PolarHBondContact O-N 2.77Å; A731-G734 VanDerWaalsContact O-N 3.16Å
732R86.4Confident86.6Confident84 Ų8454.5 Ų54.532%0.31730%0.299SS..Hα-helixtrans-60-27.6174.1-167.8178.466159.72.3113.1Q685 M688 I728 N729 N730Q685-R732 HydrophobicContact CB-CG 4.48Å; Q685-R732 HydrophobicContact CG-CG 4.39Å; Q685-R732 PolarHBondContact NE2-O 3.26Å; Q685-R732 VanDerWaalsContact NE2-O 3.12Å; M688-R732 HydrophobicContact CB-CG 4.3Å; M688-R732 HydrophobicContact CE-CB 3.74Å; M688-R732 HydrophobicContact CE-CG 4.18Å; M688-R732 PolarHBondContact O-NH1 3.3Å; M688-R732 HydrophobicContact SD-CB 3.97Å; M688-R732 HydrophobicContact SD-CG 3.85Å; I728-R732 PolarHBondContact O-N 3.22Å; I728-R732 VanDerWaalsContact O-N 3.09Å; N729-R732 WeakPolarHBondContact O-CB 3.42Å; N729-R732 PolarHBondContact O-N 3.32Å; N729-R732 PolarHBondContact OD1-NE 2.96Å; N729-R732 PolarHBondContact OD1-NH2 3.48Å; N730-R732 VanDerWaalsContact C-N 3.33Å; N730-R732 PolarHBondContact O-N 2.96Å
733L81.4Confident85.1Confident101 Ų10157.7 Ų57.753%0.52931%0.306SS..THydrogen-bonded Turntrans-95.61.3179.6-68.5172.7000114.1N729 N730 A731 I735N729-L733 VanDerWaalsContact O-CG 3.31Å; N729-L733 WeakPolarHBondContact O-CG 3.06Å; N729-L733 PolarHBondContact O-N 3Å; N730-L733 CarbonylContact O-C 3.37Å; N730-L733 WeakPolarHBondContact O-CA 3.49Å; N730-L733 PolarHBondContact O-N 3.45Å; A731-L733 PolarHBondContact O-N 3.43Å; L733-I735 HydrophobicContact CB-CD1 3.88Å; L733-I735 HydrophobicContact CB-CG1 4.09Å; L733-I735 HydrophobicContact CD1-CD1 4.43Å
734G80Confident83.1Confident17 Ų1763.9 Ų63.918%0.17534%0.338CS..THydrogen-bonded Turntrans81.320.4-177.500000115H616 N730 A731H616-G734 PolarHBondContact CE1-O 2.96Å; H616-G734 WeakPolarHBondContact NE2-CA 3.25Å; N730-G734 PolarHBondContact O-N 2.89Å; N730-G734 VanDerWaalsContact O-N 3.11Å; A731-G734 PolarHBondContact O-N 2.77Å; A731-G734 VanDerWaalsContact O-N 3.16Å
735I74.3Confident80.4Confident93 Ų9373.2 Ų73.248%0.47738%0.381SS..  trans-113.6106.2-169.5-55.6173.7000110.1Y625 N730 L733Y625-I735 PolarHBondContact OH-O 3.12Å; N730-I735 CarbonylContact C-O 3.59Å; N730-I735 HydrophobicContact CB-CB 4.05Å; N730-I735 HydrophobicContact CB-CG2 4.35Å; N730-I735 WeakPolarHBondContact CB-O 3.24Å; N730-I735 PolarHBondContact O-N 3.48Å; L733-I735 HydrophobicContact CB-CD1 3.88Å; L733-I735 HydrophobicContact CB-CG1 4.09Å; L733-I735 HydrophobicContact CD1-CD1 4.43Å
736G79.2Confident77.4Confident38 Ų3884.8 Ų84.839%0.39243%0.43SS..SBendtrans160.1179.417400000112.4F738G736-F738 PolarHBondContact O-N 3.36Å
737D86.8Confident76.7Confident125 Ų12586.1 Ų86.167%0.66843%0.431SS*.EExtended strand (participates in β ladder)trans-76.891.3174.1-68.1-20.8000109E624E624-D737 PolarHBondContact N-O 3.32Å
738F88.8Confident75.8Confident53 Ų5390.4 Ų90.423%0.23245%0.452CS..EExtended strand (participates in β ladder)trans-78.2126.5-179.4-175-99.8000112.1H616 K619 Y623 G736 E740H616-F738 HydrophobicContact CB-CD1 3.92Å; H616-F738 HydrophobicContact CB-CE1 4.11Å; H616-F738 HydrophobicContact CB-CG 4.15Å; H616-F738 WeakPolarHBondContact O-CZ 3.43Å; K619-F738 HydrophobicContact CB-CE1 3.9Å; K619-F738 HydrophobicContact CB-CZ 4.14Å; Y623-F738 HydrophobicContact CD1-CB 4.02Å; Y623-F738 HydrophobicContact CD1-CD2 4.05Å; Y623-F738 HydrophobicContact CD2-CD2 4.18Å; Y623-F738 HydrophobicContact CE1-CB 3.94Å; Y623-F738 AromaticContact CE1-CD2 3.76Å; Y623-F738 HydrophobicContact CE1-CD2 3.76Å; Y623-F738 HydrophobicContact CE1-CG 4.28Å; Y623-F738 AromaticContact CE2-CD2 3.89Å; Y623-F738 HydrophobicContact CE2-CD2 3.89Å; Y623-F738 HydrophobicContact CE2-CE2 4.26Å; Y623-F738 HydrophobicContact CG-CD2 4.24Å; Y623-F738 AromaticContact CZ-CD2 3.67Å; G736-F738 PolarHBondContact O-N 3.36Å; F738-E740 HydrophobicContact CD1-CB 4.32Å; F738-E740 HydrophobicContact CE1-CB 3.98Å
739V89.2Confident74.8Confident50 Ų5095.4 Ų95.430%0.30348%0.477SS..EExtended strand (participates in β ladder)trans-103.8101.9176-173.30000108.9G621 Y622G621-V739 WeakPolarHBondContact CA-O 3.46Å; Y622-V739 HydrophobicContact CD1-CB 4.31Å; Y622-V739 HydrophobicContact CD2-CB 4.27Å; Y622-V739 HydrophobicContact CD2-CG2 4.38Å; Y622-V739 HydrophobicContact CE1-CB 3.91Å; Y622-V739 HydrophobicContact CE1-CG1 3.92Å; Y622-V739 HydrophobicContact CE2-CB 3.86Å; Y622-V739 HydrophobicContact CE2-CG1 4.41Å; Y622-V739 HydrophobicContact CE2-CG2 3.79Å; Y622-V739 HydrophobicContact CG-CB 4.49Å; Y622-V739 PolarHBondContact N-O 2.86Å; Y622-V739 VanDerWaalsContact N-O 3.14Å; Y622-V739 PolarHBondContact O-N 2.65Å
740E85Confident73.9Confident81 Ų8197.9 Ų97.938%0.37949%0.489SS..EExtended strand (participates in β ladder)trans-69.3126.8178178.2172.5-167.900111.8K619 F738 K742K619-E740 HydrophobicContact CB-CG 4.33Å; K619-E740 VanDerWaalsContact CD-CD 3.42Å; K619-E740 HydrophobicContact CD-CG 4.09Å; K619-E740 WeakPolarHBondContact CD-OE1 3.38Å; K619-E740 WeakPolarHBondContact CE-OE1 3.46Å; K619-E740 HydrophobicContact CG-CG 4.3Å; K619-E740 IonicContact NZ-OE1 3.93Å; K619-E740 PolarHBondContact NZ-OE1 2.69Å; K619-E740 IonicContact NZ-OE2 3.82Å; K619-E740 PolarHBondContact NZ-OE2 3.21Å; F738-E740 HydrophobicContact CD1-CB 4.32Å; F738-E740 HydrophobicContact CE1-CB 3.98Å; E740-K742 PolarHBondContact O-N 3.44Å
741L82.4Confident73.1Confident24 Ų24101.3 Ų101.313%0.12651%0.505CS..  trans-76.2111.3165.8-73.6171.2000108.5K620 L645 S648 C649K620-L741 HydrophobicContact CB-CB 3.77Å; K620-L741 HydrophobicContact CB-CD1 4.02Å; K620-L741 HydrophobicContact CB-CG 4.45Å; K620-L741 PolarHBondContact O-N 3.5Å; L645-L741 HydrophobicContact CB-CD1 3.79Å; L645-L741 HydrophobicContact CD1-CD1 4.06Å; L645-L741 HydrophobicContact CG-CD1 4.22Å; S648-L741 VanDerWaalsContact OG-CD2 3.28Å; S648-L741 WeakPolarHBondContact OG-CD2 3.44Å; C649-L741 WeakPolarHBondContact SG-CD2 3.38Å
742K71.9Confident72Confident176 Ų176108.1 Ų108.177%0.76554%0.539SS*.PPolyproline II helixtrans-82.9120.4170.3-60.6-173.1178.6-169.70108.7E740E740-K742 PolarHBondContact O-N 3.44Å
743D58.3Low71Confident111 Ų111109.8 Ų109.859%0.59455%0.554SS**PPolyproline II helixtrans-59.9140.7159.4-62.1-46.8000108K620 E745K620-D743 IonicContact NZ-OD1 3.41Å; K620-D743 PolarHBondContact NZ-OD1 2.78Å; K620-D743 IonicContact NZ-OD2 3.6Å; D743-E745 PolarHBondContact O-N 3.12Å
744E50.2Low70.2Confident198 Ų198110.5 Ų110.593%0.92556%0.556SS**PPolyproline II helixtrans-72.6117.3175.4-65.2-171.4146.100109.2
745E37.7Very low69.3Low197 Ų197118.3 Ų118.392%0.92159%0.588SS**PPolyproline II helixtrans-65.4144.2-178.8-64.9-177.8122.300112.7D743D743-E745 PolarHBondContact O-N 3.12Å
746E28.3Very low68.9Low273 Ų273120.5 Ų120.5100%1.27660%0.598SS**  trans-71.90171.3-73.9-167.2123.600113.8

Retrieved 746 of 746 residues in 3929.6 ms (Link to these results)

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