A0A087Y3P0_POEFO Loading...

ADP-ribosylation factor

GTP-binding protein involved in protein trafficking; may modulate vesicle budding and uncoating within the Golgi apparatus. GTP-binding protein involved in protein trafficking; modulates vesicle budding and uncoating within the Golgi apparatus.

AlphaFold DB (M3ZUA3), UniProt , Accession A0A087Y3P0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 179 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
1M42.4Very low43.5Very low254 Ų254157.1 Ų157.1100%1.25186%0.855SS**  0130.80-83.3-155.6-80.900108.3
2G42Very low44.2Very low74 Ų74160 Ų16076%0.76385%0.854SS**  trans111.555.9170.100000116
3N43.6Very low45Very low165 Ų165152.8 Ų152.888%0.88284%0.84SS**  trans-142.751.3160.8-107.1-4.4000110.4
4M48Very low45.7Very low169 Ų169152.1 Ų152.183%0.83383%0.825SS**SBendtrans-121.99.8-177.1-82.3-174.170.200115.1
5F45.8Very low47.1Very low186 Ų186148.9 Ų148.982%0.81680%0.8SS**SBendtrans-119-2.1-178.7-75.1-76.6000115.8G7F5-G7 VanDerWaalsContact C-N 3.26Å; F5-G7 PolarHBondContact O-N 3.39Å
6A42.7Very low48.4Very low106 Ų106150.4 Ų150.488%0.87680%0.8SS**THydrogen-bonded Turntrans-78.7-6.8175.700000114
7G41.3Very low50.1Low63 Ų63141.8 Ų141.865%0.64975%0.754SS**THydrogen-bonded Turntrans-103.6-5.9-17000000117F5F5-G7 VanDerWaalsContact C-N 3.26Å; F5-G7 PolarHBondContact O-N 3.39Å
8L45Very low51.8Low146 Ų146137.5 Ų137.576%0.76473%0.726SS**SBendtrans-96.6-4.3-168.7-131.678.5000115.8
9F44.8Very low53.5Low186 Ų186130.3 Ų130.382%0.81669%0.688SS**SBendtrans-105.64.6-177.5-86.6-80.7000115.2
10K39.6Very low55.1Low202 Ų202123.8 Ų123.888%0.87865%0.654SS**SBendtrans-107.719.5-172.6-121.7-178.1-175.9-177.80115.2
11M43Very low56.7Low177 Ų177118 Ų11887%0.87262%0.623SS**  trans-123.334.5-178.8-149.4-176.7-60.800113.2
12F52.7Low58.9Low192 Ų192105.9 Ų105.984%0.84256%0.564SS**  trans-93.999.6158.5-80.6-87.6000107.3
13G54Low61.2Low66 Ų66102.4 Ų102.468%0.6853%0.527SS*.  trans-57.7163.9168.700000111.2K15G13-K15 PolarHBondContact O-N 3.15Å
14K55.3Low63.4Low143 Ų14395 Ų9562%0.62249%0.488SS*.  trans-57.3114.5170.8-70.6-177.8173.3-1750108.2E16 E56K14-E16 PolarHBondContact O-N 3.24Å; K14-E56 IonicContact NZ-OE2 2.69Å; K14-E56 PolarHBondContact NZ-OE2 3.22Å; K14-E56 VanDerWaalsContact NZ-OE2 3.13Å
15K65.9Low65.2Low104 Ų10489 Ų8945%0.45246%0.459SS..  trans-76.2106.4169.7-176.7171.8171.6-170.30106.9G13 M17 H179G13-K15 PolarHBondContact O-N 3.15Å; K15-M17 HydrophobicContact CB-CE 4.4Å; K15-M17 HydrophobicContact CD-CE 3.4Å; K15-M17 HydrophobicContact CD-SD 4.2Å; K15-M17 HydrophobicContact CG-CE 3.74Å; K15-M17 HydrophobicContact CG-SD 4.05Å; K15-M17 PolarHBondContact O-N 3.22Å; K15-H179 PolarHBondContact NZ-OXT 3.35Å
16E67.6Low67.2Low173 Ų17383.3 Ų83.381%0.80845%0.446SS*.  trans-62118.2175.4-67.5-175.7175.500109K14K14-E16 PolarHBondContact O-N 3.24Å
17M77.3Confident69.6Low4 Ų478.3 Ų78.32%0.0241%0.405CS..  trans-110.9134.6175.6-61.2-64.8-163.700108.9K15 I60 S61 Q85 L176K15-M17 HydrophobicContact CB-CE 4.4Å; K15-M17 HydrophobicContact CD-CE 3.4Å; K15-M17 HydrophobicContact CD-SD 4.2Å; K15-M17 HydrophobicContact CG-CE 3.74Å; K15-M17 HydrophobicContact CG-SD 4.05Å; K15-M17 PolarHBondContact O-N 3.22Å; M17-I60 HydrophobicContact CB-CG2 4.47Å; M17-S61 PolarHBondContact O-N 3.17Å; M17-Q85 VanDerWaalsContact CA-OE1 3.27Å; M17-Q85 PolarHBondContact SD-NE2 3.43Å; M17-L176 HydrophobicContact CB-CD1 4.46Å; M17-L176 HydrophobicContact CE-CB 4.04Å; M17-L176 WeakPolarHBondContact CE-O 3.38Å
18R80.7Confident71.9Confident65 Ų6575.8 Ų75.825%0.24538%0.379CS..EExtended strand (participates in β ladder)trans-91.9115.6174.1-175.1-179.5-177.41726.3110Y80 Q82 N83 Q85 G86R18-Y80 PolarHBondContact NH2-O 2.74Å; R18-Q82 VanDerWaalsContact CZ-O 3.28Å; R18-Q82 PolarHBondContact NH1-O 3.23Å; R18-N83 WeakPolarHBondContact CB-O 3.45Å; R18-Q85 VanDerWaalsContact N-OE1 3.09Å; R18-Q85 PolarHBondContact O-N 2.76Å; R18-G86 PolarHBondContact O-N 2.87Å
19I84.8Confident74Confident1 Ų169.2 Ų69.21%0.00534%0.344CS..EExtended strand (participates in β ladder)trans-116.9133.5176.2-57.3-169.6000110.3I60 S61 F62 T63 G86 I88 L172 L176I19-I60 HydrophobicContact CD1-CD1 4.41Å; I19-I60 HydrophobicContact CD1-CG2 3.21Å; I19-I60 HydrophobicContact CG1-CG2 3.85Å; I19-S61 PolarHBondContact N-O 2.83Å; I19-F62 HydrophobicContact CB-CD1 3.87Å; I19-F62 HydrophobicContact CB-CE1 4.45Å; I19-F62 HydrophobicContact CD1-CD1 4.09Å; I19-F62 HydrophobicContact CD1-CE1 3.83Å; I19-F62 HydrophobicContact CG1-CD1 4.49Å; I19-F62 HydrophobicContact CG2-CD1 3.79Å; I19-F62 HydrophobicContact CG2-CE1 4.24Å; I19-T63 CarbonylContact O-C 3.55Å; I19-T63 WeakPolarHBondContact O-CA 3.34Å; I19-T63 PolarHBondContact O-N 3.33Å; I19-G86 CarbonylContact C-O 3.59Å; I19-G86 VanDerWaalsContact CA-O 3.26Å; I19-G86 WeakPolarHBondContact CA-O 3.25Å; I19-G86 WeakPolarHBondContact CG2-O 3.25Å; I19-I88 HydrophobicContact CG2-CD1 3.85Å; I19-I88 HydrophobicContact CG2-CG1 3.79Å; I19-L172 HydrophobicContact CD1-CD2 3.7Å; I19-L172 HydrophobicContact CD1-CG 4.13Å; I19-L172 HydrophobicContact CG2-CD2 4.2Å; I19-L176 HydrophobicContact CD1-CD1 3.59Å; I19-L176 HydrophobicContact CG1-CD1 4.11Å
20L86.2Confident75.8Confident0 Ų061.3 Ų61.30%031%0.311CS..EExtended strand (participates in β ladder)trans-102.8121.3178.7172.954.3000109.6V22 W65 F81 T84 G86 L87 I88 M109L20-V22 HydrophobicContact CD1-CG1 3.55Å; L20-V22 HydrophobicContact CD2-CG1 4.39Å; L20-V22 HydrophobicContact CG-CG1 3.84Å; L20-W65 HydrophobicContact CD1-CB 4.32Å; L20-W65 HydrophobicContact CD1-CG 3.71Å; L20-F81 HydrophobicContact CD2-CD1 3.54Å; L20-F81 HydrophobicContact CD2-CE1 3.74Å; L20-T84 HydrophobicContact CB-CG2 3.59Å; L20-T84 HydrophobicContact CD2-CG2 4.49Å; L20-G86 PolarHBondContact N-O 3.46Å; L20-L87 HydrophobicContact CB-CD1 4.16Å; L20-L87 HydrophobicContact CD2-CD1 4.09Å; L20-L87 HydrophobicContact CG-CD1 3.88Å; L20-L87 CarbonylContact O-C 3.52Å; L20-L87 WeakPolarHBondContact O-CA 3.46Å; L20-I88 PolarHBondContact O-N 3Å; L20-M109 HydrophobicContact CD2-CE 4.15Å
21M88.3Confident78.1Confident1 Ų152.8 Ų52.81%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-105.6123.1170.6-174.1-174.1-63.100111.1K29 I32 T63 V64 W65 I88 V90M21-K29 HydrophobicContact SD-CB 4.22Å; M21-I32 HydrophobicContact CE-CG2 3.71Å; M21-I32 HydrophobicContact SD-CB 4.37Å; M21-I32 HydrophobicContact SD-CG2 4.19Å; M21-T63 PolarHBondContact N-O 3.47Å; M21-V64 HydrophobicContact CB-CB 4.4Å; M21-V64 HydrophobicContact CB-CG1 4.23Å; M21-V64 HydrophobicContact CB-CG2 4.01Å; M21-V64 HydrophobicContact CE-CG2 4.05Å; M21-V64 HydrophobicContact SD-CG1 4.12Å; M21-V64 HydrophobicContact SD-CG2 4.09Å; M21-W65 PolarHBondContact O-N 3.05Å; M21-I88 CarbonylContact C-O 3.55Å; M21-I88 VanDerWaalsContact CA-O 3.3Å; M21-I88 WeakPolarHBondContact CA-O 3.26Å; M21-I88 HydrophobicContact CB-CB 4.18Å; M21-I88 HydrophobicContact CE-CD1 4.02Å; M21-I88 HydrophobicContact CE-CG2 4.24Å; M21-I88 HydrophobicContact CG-CB 4.07Å; M21-I88 HydrophobicContact CG-CG2 4.05Å; M21-V90 HydrophobicContact CG-CG2 3.78Å; M21-V90 HydrophobicContact SD-CG2 4.02Å
22V87.9Confident80.3Confident1 Ų144.4 Ų44.41%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-144.4175.8-176.7-64.30000111.7L20 K29 W77 L87 I88 F89 V90 M109L20-V22 HydrophobicContact CD1-CG1 3.55Å; L20-V22 HydrophobicContact CD2-CG1 4.39Å; L20-V22 HydrophobicContact CG-CG1 3.84Å; V22-K29 VanDerWaalsContact C-CD 3.5Å; V22-W77 HydrophobicContact CG1-CD2 4.45Å; V22-L87 HydrophobicContact CG2-CD1 3.65Å; V22-I88 PolarHBondContact N-O 3.02Å; V22-F89 HydrophobicContact CG2-CD2 3.82Å; V22-F89 HydrophobicContact CG2-CE2 4.35Å; V22-F89 CarbonylContact O-C 3.58Å; V22-F89 WeakPolarHBondContact O-CA 3.11Å; V22-V90 PolarHBondContact O-N 3.37Å; V22-M109 HydrophobicContact CB-CE 4.32Å; V22-M109 HydrophobicContact CB-SD 4.38Å; V22-M109 HydrophobicContact CG1-CE 4.28Å; V22-M109 HydrophobicContact CG2-CE 3.44Å; V22-M109 VanDerWaalsContact CG2-CE 3.44Å; V22-M109 HydrophobicContact CG2-SD 3.54Å; V22-M109 VanDerWaalsContact CG2-SD 3.54Å
23G90.5Very high81.7Confident0 Ų035.3 Ų35.30%020%0.195CC..EExtended strand (participates in β ladder)trans148.3172.1-17400000111.1K29G23-K29 PolarHBondContact O-NZ 3.41Å
24L89.9Confident83Confident11 Ų1134.8 Ų34.86%0.05817%0.173CC..SBendtrans-62.9165.1179.5-56.5-167.8000112.4A27 K29 R98 E101 A102 E105L24-A27 VanDerWaalsContact O-CB 3.26Å; L24-A27 WeakPolarHBondContact O-CB 3.43Å; L24-A27 PolarHBondContact O-N 3.39Å; L24-K29 PolarHBondContact O-NZ 3.42Å; L24-R98 HydrophobicContact CD1-CB 3.86Å; L24-E101 HydrophobicContact CD1-CB 4.25Å; L24-E101 HydrophobicContact CD1-CG 4.03Å; L24-E101 HydrophobicContact CD2-CG 4.25Å; L24-A102 HydrophobicContact CD1-CB 3.85Å; L24-A102 HydrophobicContact CG-CB 4.01Å; L24-E105 HydrophobicContact CD2-CG 4.25Å
25D85.8Confident84.4Confident43 Ų4329.5 Ų29.523%0.2315%0.15CC..THydrogen-bonded Turntrans-62.4152.5173.957.1-77.8000109.9A27 R98D25-A27 PolarHBondContact O-N 3.17Å; D25-R98 VanDerWaalsContact CG-NH1 3.33Å; D25-R98 IonicContact OD1-NH1 2.84Å; D25-R98 PolarHBondContact OD1-NH1 3.24Å; D25-R98 IonicContact OD2-CZ 3.69Å; D25-R98 IonicContact OD2-NH1 3.04Å; D25-R98 PolarHBondContact OD2-NH1 2.9Å; D25-R98 IonicContact OD2-NH2 3.04Å
26A88.2Confident85.2Confident65 Ų6525.5 Ų25.554%0.53713%0.134SC..THydrogen-bonded Turntrans59.82.6-174.900000116.3G28 K126A26-G28 PolarHBondContact O-N 3Å; A26-G28 VanDerWaalsContact O-N 3.14Å; A26-K126 WeakPolarHBondContact O-CE 3.48Å; A26-K126 PolarHBondContact O-NZ 3.16Å
27A92.3Very high85.4Confident1 Ų122.1 Ų22.11%0.00812%0.116CC..SBendtrans-64-17.9177.600000114.5L24 D25 V90 N125L24-A27 VanDerWaalsContact O-CB 3.26Å; L24-A27 WeakPolarHBondContact O-CB 3.43Å; L24-A27 PolarHBondContact O-N 3.39Å; D25-A27 PolarHBondContact O-N 3.17Å; A27-V90 HydrophobicContact CB-CB 4.36Å; A27-V90 HydrophobicContact CB-CG1 4.09Å; A27-V90 WeakPolarHBondContact CB-O 3.23Å; A27-V90 WeakPolarHBondContact O-CG1 3.36Å; A27-N125 PolarHBondContact O-ND2 3.02Å
28G90.8Very high85Confident11 Ų1126.3 Ų26.311%0.11314%0.138CC..SBendtrans101.815.5176.100000115.3A26 T30 T31 I32A26-G28 PolarHBondContact O-N 3Å; A26-G28 VanDerWaalsContact O-N 3.14Å; G28-T30 PolarHBondContact O-N 3.01Å; G28-T31 WeakPolarHBondContact O-CB 3.29Å; G28-T31 PolarHBondContact O-N 3.41Å; G28-I32 WeakPolarHBondContact O-CG1 3.25Å; G28-I32 PolarHBondContact O-N 2.98Å
29K88.2Confident84Confident7 Ų725.6 Ų25.63%0.0315%0.151CC..Hα-helixtrans-51.1-51.5176.7-56.9-178.2-63-840112.7M21 V22 G23 L24 T31 I32 L33 V90M21-K29 HydrophobicContact SD-CB 4.22Å; V22-K29 VanDerWaalsContact C-CD 3.5Å; G23-K29 PolarHBondContact O-NZ 3.41Å; L24-K29 PolarHBondContact O-NZ 3.42Å; K29-T31 PolarHBondContact O-N 3.41Å; K29-I32 PolarHBondContact O-N 3.37Å; K29-L33 WeakPolarHBondContact O-CB 3.1Å; K29-L33 PolarHBondContact O-N 3.11Å; K29-V90 HydrophobicContact CG-CB 3.95Å; K29-V90 HydrophobicContact CG-CG2 3.93Å
30T82.2Confident82.2Confident20 Ų2032 Ų3212%0.12318%0.181CC..Hα-helixtrans-64-40.6179.3-40.50000111.1G28 I32 L33 Y34 T44 D66G28-T30 PolarHBondContact O-N 3.01Å; T30-I32 PolarHBondContact O-N 3.29Å; T30-L33 WeakPolarHBondContact O-CB 3.4Å; T30-L33 PolarHBondContact O-N 2.8Å; T30-Y34 HydrophobicContact CG2-CD2 3.76Å; T30-Y34 HydrophobicContact CG2-CE2 3.7Å; T30-Y34 VanDerWaalsContact O-CD2 3.25Å; T30-Y34 WeakPolarHBondContact O-CD2 3.28Å; T30-Y34 PolarHBondContact O-N 2.82Å; T30-T44 HydrophobicContact CG2-CG2 3.64Å; T30-D66 PolarHBondContact OG1-OD1 3.07Å; T30-D66 PolarHBondContact OG1-OD2 3.41Å
31T87.9Confident80.4Confident24 Ų2436.8 Ų36.815%0.14721%0.205CC..Hα-helixtrans-61-45.4175.3-46.10000111.5G28 K29 Y34 K35 A159 T160G28-T31 WeakPolarHBondContact O-CB 3.29Å; G28-T31 PolarHBondContact O-N 3.41Å; K29-T31 PolarHBondContact O-N 3.41Å; T31-Y34 PolarHBondContact O-N 3.3Å; T31-K35 VanDerWaalsContact O-CB 3.25Å; T31-K35 WeakPolarHBondContact O-CB 3.35Å; T31-K35 PolarHBondContact O-N 2.59Å; T31-A159 HydrophobicContact CG2-CB 3.74Å; T31-T160 HydrophobicContact CG2-CG2 4.25Å
32I89.3Confident78.4Confident0 Ų039.2 Ų39.20%022%0.22CC..Hα-helixtrans-60-49.3175.6-66.6172000110.2M21 G28 K29 T30 Y34 K35 L36 V90 F123 A159 L165M21-I32 HydrophobicContact CE-CG2 3.71Å; M21-I32 HydrophobicContact SD-CB 4.37Å; M21-I32 HydrophobicContact SD-CG2 4.19Å; G28-I32 WeakPolarHBondContact O-CG1 3.25Å; G28-I32 PolarHBondContact O-N 2.98Å; K29-I32 PolarHBondContact O-N 3.37Å; T30-I32 PolarHBondContact O-N 3.29Å; I32-Y34 PolarHBondContact O-N 3.1Å; I32-K35 PolarHBondContact O-N 3Å; I32-L36 HydrophobicContact CG2-CD1 3.81Å; I32-L36 HydrophobicContact CG2-CG 4.32Å; I32-L36 VanDerWaalsContact O-CG 3.27Å; I32-L36 WeakPolarHBondContact O-CG 3.36Å; I32-L36 PolarHBondContact O-N 3.2Å; I32-V90 HydrophobicContact CD1-CG1 3.76Å; I32-V90 HydrophobicContact CD1-CG2 3.98Å; I32-F123 HydrophobicContact CD1-CD2 3.95Å; I32-F123 HydrophobicContact CG2-CE2 4.43Å; I32-A159 HydrophobicContact CD1-CB 4.44Å; I32-A159 HydrophobicContact CG1-CB 3.51Å; I32-L165 HydrophobicContact CD1-CD2 4.14Å; I32-L165 HydrophobicContact CG1-CD2 3.89Å; I32-L165 HydrophobicContact CG2-CD1 4.28Å; I32-L165 HydrophobicContact CG2-CD2 3.99Å
33L83.4Confident76.3Confident1 Ų145.5 Ų45.51%0.00526%0.259CS..Hα-helixtrans-53.1-52.8178.2166.470000112.1K29 T30 L36 K37 E53 V55 V64K29-L33 WeakPolarHBondContact O-CB 3.1Å; K29-L33 PolarHBondContact O-N 3.11Å; T30-L33 WeakPolarHBondContact O-CB 3.4Å; T30-L33 PolarHBondContact O-N 2.8Å; L33-L36 PolarHBondContact O-N 3.06Å; L33-K37 VanDerWaalsContact O-CB 3.32Å; L33-K37 WeakPolarHBondContact O-CB 3.48Å; L33-K37 PolarHBondContact O-N 3.46Å; L33-E53 HydrophobicContact CD1-CB 3.95Å; L33-E53 HydrophobicContact CD2-CB 3.61Å; L33-E53 HydrophobicContact CD2-CG 4.04Å; L33-E53 HydrophobicContact CG-CB 4.37Å; L33-V55 HydrophobicContact CD1-CB 4.03Å; L33-V55 HydrophobicContact CD1-CG2 3.16Å; L33-V55 HydrophobicContact CG-CG2 4.36Å; L33-V64 HydrophobicContact CB-CB 4.34Å; L33-V64 HydrophobicContact CB-CG1 4.08Å; L33-V64 HydrophobicContact CB-CG2 4.1Å; L33-V64 HydrophobicContact CD1-CB 3.74Å; L33-V64 HydrophobicContact CD1-CG1 4.35Å; L33-V64 HydrophobicContact CD1-CG2 3.48Å; L33-V64 VanDerWaalsContact CD1-CG2 3.48Å; L33-V64 HydrophobicContact CD2-CB 4.08Å; L33-V64 HydrophobicContact CD2-CG1 3.98Å; L33-V64 HydrophobicContact CG-CB 4.26Å; L33-V64 HydrophobicContact CG-CG1 4.35Å; L33-V64 HydrophobicContact CG-CG2 4.24Å
34Y79.8Confident74.2Confident56 Ų5648.4 Ų48.422%0.2228%0.276CS..Hα-helixtrans-68-37.8-178.2-84.8-99.9000111.8T30 T31 I32 L36 K37 L38 V42 E53T30-Y34 HydrophobicContact CG2-CD2 3.76Å; T30-Y34 HydrophobicContact CG2-CE2 3.7Å; T30-Y34 VanDerWaalsContact O-CD2 3.25Å; T30-Y34 WeakPolarHBondContact O-CD2 3.28Å; T30-Y34 PolarHBondContact O-N 2.82Å; T31-Y34 PolarHBondContact O-N 3.3Å; I32-Y34 PolarHBondContact O-N 3.1Å; Y34-L36 VanDerWaalsContact C-N 3.29Å; Y34-L36 PolarHBondContact O-N 3.49Å; Y34-K37 PolarHBondContact O-N 2.89Å; Y34-L38 HydrophobicContact CD1-CD1 3.73Å; Y34-L38 HydrophobicContact CE1-CD1 4.28Å; Y34-L38 PolarHBondContact O-N 3.34Å; Y34-V42 HydrophobicContact CD1-CB 3.73Å; Y34-V42 HydrophobicContact CD1-CG1 4.11Å; Y34-V42 HydrophobicContact CD1-CG2 3.57Å; Y34-V42 HydrophobicContact CE1-CB 4.45Å; Y34-V42 HydrophobicContact CE1-CG1 4.34Å; Y34-V42 HydrophobicContact CE1-CG2 4.36Å; Y34-V42 HydrophobicContact CG-CB 4.12Å; Y34-V42 HydrophobicContact CG-CG2 4.28Å; Y34-E53 PolarHBondContact OH-OE1 2.95Å
35K86.1Confident72.1Confident32 Ų3254.8 Ų54.814%0.13931%0.309CS..Hα-helixtrans-58.9-42.6174-169.571178.2-165.60111.4T31 I32 G39 I41 T160 T161 L165T31-K35 VanDerWaalsContact O-CB 3.25Å; T31-K35 WeakPolarHBondContact O-CB 3.35Å; T31-K35 PolarHBondContact O-N 2.59Å; I32-K35 PolarHBondContact O-N 3Å; K35-G39 WeakPolarHBondContact O-CA 3.15Å; K35-G39 PolarHBondContact O-N 2.82Å; K35-G39 VanDerWaalsContact O-N 3.14Å; K35-I41 HydrophobicContact CD-CG1 4.45Å; K35-T160 PolarHBondContact NZ-O 3.3Å; K35-T161 WeakPolarHBondContact CE-O 3.48Å; K35-T161 PolarHBondContact NZ-O 2.89Å; K35-L165 HydrophobicContact CB-CD1 4.26Å; K35-L165 HydrophobicContact CG-CD1 3.98Å
36L81.4Confident70Confident20 Ų2058.3 Ų58.311%0.10533%0.334CS..Hα-helixtrans-71.6-36177-66.7173.2000112.9I32 L33 Y34 V55 F62 Y166 L169I32-L36 HydrophobicContact CG2-CD1 3.81Å; I32-L36 HydrophobicContact CG2-CG 4.32Å; I32-L36 VanDerWaalsContact O-CG 3.27Å; I32-L36 WeakPolarHBondContact O-CG 3.36Å; I32-L36 PolarHBondContact O-N 3.2Å; L33-L36 PolarHBondContact O-N 3.06Å; Y34-L36 VanDerWaalsContact C-N 3.29Å; Y34-L36 PolarHBondContact O-N 3.49Å; L36-V55 HydrophobicContact CB-CG1 4.11Å; L36-F62 HydrophobicContact CD1-CE2 4.27Å; L36-Y166 HydrophobicContact CD2-CE1 4.07Å; L36-L169 HydrophobicContact CD1-CD1 3.81Å; L36-L169 HydrophobicContact CD2-CD1 3.56Å; L36-L169 HydrophobicContact CG-CD1 4.35Å
37K72.9Confident68.2Low102 Ų10257.6 Ų57.644%0.44332%0.323SS..Hα-helixtrans-76.9-42.3-175.6-167.6176.3-171.7-177.90113.5L33 Y34 E53 V55L33-K37 VanDerWaalsContact O-CB 3.32Å; L33-K37 WeakPolarHBondContact O-CB 3.48Å; L33-K37 PolarHBondContact O-N 3.46Å; Y34-K37 PolarHBondContact O-N 2.89Å; K37-E53 IonicContact NZ-OE2 2.65Å; K37-E53 PolarHBondContact NZ-OE2 3.23Å; K37-V55 HydrophobicContact CB-CG1 4.34Å; K37-V55 HydrophobicContact CB-CG2 3.7Å; K37-V55 HydrophobicContact CD-CG2 3.85Å; K37-V55 HydrophobicContact CG-CG2 3.81Å
38L68.5Low65.8Low92 Ų9265.9 Ų65.948%0.48237%0.366SS..Hα-helixtrans-114.6-13.5-167.3-56.7179.8000113Y34 E40 V42Y34-L38 HydrophobicContact CD1-CD1 3.73Å; Y34-L38 HydrophobicContact CE1-CD1 4.28Å; Y34-L38 PolarHBondContact O-N 3.34Å; L38-E40 HydrophobicContact CB-CB 4.43Å; L38-E40 PolarHBondContact O-N 2.8Å; L38-E40 VanDerWaalsContact O-N 3.15Å; L38-V42 HydrophobicContact CD1-CG2 3.83Å
39G59.9Low63.8Low50 Ų5067.1 Ų67.152%0.51538%0.379SS..SBendtrans69.4-1.7-169.100000113.8K35K35-G39 WeakPolarHBondContact O-CA 3.15Å; K35-G39 PolarHBondContact O-N 2.82Å; K35-G39 VanDerWaalsContact O-N 3.14Å
40E46.7Very low62.1Low136 Ų13670.2 Ų70.264%0.63639%0.392SS*.SBendtrans-114.9154.8-175.3-66.4-171.6168.700112.2L38 V42L38-E40 HydrophobicContact CB-CB 4.43Å; L38-E40 PolarHBondContact O-N 2.8Å; L38-E40 VanDerWaalsContact O-N 3.15Å; E40-V42 PolarHBondContact O-N 3.05Å
41I48.3Very low60.8Low100 Ų10071.9 Ų71.951%0.51340%0.4SS..  trans-84.4106.6174.2-53.4175.2000107.7K35 T160K35-I41 HydrophobicContact CD-CG1 4.45Å; I41-T160 WeakPolarHBondContact CD1-O 3.26Å; I41-T160 WeakPolarHBondContact CG1-O 3.47Å
42V45.5Very low59.3Low51 Ų5173.4 Ų73.431%0.30941%0.409SS..  trans-91.5123.2169.2-177.80000108.5Y34 L38 E40 T44Y34-V42 HydrophobicContact CD1-CB 3.73Å; Y34-V42 HydrophobicContact CD1-CG1 4.11Å; Y34-V42 HydrophobicContact CD1-CG2 3.57Å; Y34-V42 HydrophobicContact CE1-CB 4.45Å; Y34-V42 HydrophobicContact CE1-CG1 4.34Å; Y34-V42 HydrophobicContact CE1-CG2 4.36Å; Y34-V42 HydrophobicContact CG-CB 4.12Å; Y34-V42 HydrophobicContact CG-CG2 4.28Å; L38-V42 HydrophobicContact CD1-CG2 3.83Å; E40-V42 PolarHBondContact O-N 3.05Å; V42-T44 PolarHBondContact O-N 2.92Å; V42-T44 VanDerWaalsContact O-N 3.1Å
43T45.5Very low57.9Low133 Ų13374.3 Ų74.382%0.81641%0.414SS*.  trans-63.6109.4170.544.20000108.9
44T45.6Very low56.9Low61 Ų6178.1 Ų78.137%0.37444%0.437SS..PPolyproline II helixtrans-84.4129.3-177.657.60000110.7T30 V42T30-T44 HydrophobicContact CG2-CG2 3.64Å; V42-T44 PolarHBondContact O-N 2.92Å; V42-T44 VanDerWaalsContact O-N 3.1Å
45I45Very low56.2Low146 Ų14675.7 Ų75.775%0.74943%0.428SS*.PPolyproline II helixtrans-83.1140.9165.3-60.6172.9000107.4T47I45-T47 PolarHBondContact O-N 3Å; I45-T47 VanDerWaalsContact O-N 3.13Å
46P42.8Very low55.3Low116 Ų11680.6 Ų80.675%0.75345%0.451SS*.PPolyproline II helixtrans-51.7120.7175.8-26.534.4000111.8I48P46-I48 PolarHBondContact O-N 3.43Å
47T49.4Very low54.7Low50 Ų5081.2 Ų81.231%0.30745%0.453SS..PPolyproline II helixtrans-70.2121.5-175.4-47.10000110.3I45 N51 D66I45-T47 PolarHBondContact O-N 3Å; I45-T47 VanDerWaalsContact O-N 3.13Å; T47-N51 HydrophobicContact CG2-CB 4.14Å; T47-D66 WeakPolarHBondContact CB-OD2 3.38Å; T47-D66 PolarHBondContact OG1-OD2 3.18Å
48I42.2Very low54.5Low176 Ų17681.9 Ų81.990%0.90346%0.455SS*.  trans-87.1107.3168.8-60.3177.2000107.3P46P46-I48 PolarHBondContact O-N 3.43Å
49G49.3Very low54Low37 Ų3779.3 Ų79.338%0.38144%0.442SS..SBendtrans106.1-140.7176.800000113.5
50F52.5Low54.1Low72 Ų7277.2 Ų77.232%0.31642%0.419SS..EExtended strand (participates in β ladder)trans-130.1107-161.6-174-91.2000109.2V52 W65 V67 L76 Y80F50-V52 HydrophobicContact CD1-CG2 3.79Å; F50-V52 HydrophobicContact CE1-CG2 3.23Å; F50-V52 HydrophobicContact CZ-CG2 4.03Å; F50-W65 AromaticContact CE1-CE3 3.62Å; F50-W65 HydrophobicContact CE1-CE3 3.62Å; F50-W65 AromaticContact CE1-CZ3 3.43Å; F50-W65 HydrophobicContact CE1-CZ3 3.43Å; F50-W65 VanDerWaalsContact CE1-CZ3 3.43Å; F50-W65 AromaticContact CE2-CE3 3.98Å; F50-W65 HydrophobicContact CE2-CE3 3.98Å; F50-W65 HydrophobicContact CE2-CZ3 4.47Å; F50-W65 HydrophobicContact CZ-CD2 4.33Å; F50-W65 AromaticContact CZ-CE3 3.09Å; F50-W65 HydrophobicContact CZ-CE3 3.09Å; F50-W65 AromaticContact CZ-CZ3 3.25Å; F50-W65 HydrophobicContact CZ-CZ3 3.25Å; F50-V67 HydrophobicContact CD2-CB 4.13Å; F50-V67 HydrophobicContact CD2-CG1 3.82Å; F50-V67 HydrophobicContact CD2-CG2 3.65Å; F50-V67 HydrophobicContact CE2-CB 4.22Å; F50-V67 HydrophobicContact CE2-CG1 4.1Å; F50-V67 HydrophobicContact CE2-CG2 3.29Å; F50-V67 HydrophobicContact CZ-CG2 4.19Å; F50-L76 HydrophobicContact CD2-CB 4.41Å; F50-L76 HydrophobicContact CD2-CD1 3.98Å; F50-L76 HydrophobicContact CE2-CB 4.05Å; F50-L76 HydrophobicContact CE2-CD1 4.41Å; F50-Y80 HydrophobicContact CE1-CE2 4.24Å; F50-Y80 AromaticContact CE1-CZ 3.98Å; F50-Y80 VanDerWaalsContact CE1-OH 3.23Å; F50-Y80 WeakPolarHBondContact CE1-OH 3.31Å; F50-Y80 AromaticContact CE2-CE2 3.79Å; F50-Y80 HydrophobicContact CE2-CE2 3.79Å; F50-Y80 HydrophobicContact CZ-CD2 4.22Å; F50-Y80 AromaticContact CZ-CE2 3.22Å; F50-Y80 HydrophobicContact CZ-CE2 3.22Å; F50-Y80 AromaticContact CZ-CZ 3.38Å; F50-Y80 WeakPolarHBondContact CZ-OH 3.38Å
51N54.1Low54.8Low54 Ų5472.3 Ų72.329%0.28940%0.4SS..EExtended strand (participates in β ladder)trans-114.8129.9178.6-173.739.8000110T47 E53 D66T47-N51 HydrophobicContact CG2-CB 4.14Å; N51-E53 PolarHBondContact ND2-OE1 3.11Å; N51-D66 HydrophobicContact CB-CB 4.17Å; N51-D66 PolarHBondContact N-O 3.34Å; N51-D66 CarbonylContact O-C 3.45Å; N51-D66 WeakPolarHBondContact O-CA 3.36Å; N51-D66 PolarHBondContact O-N 3.13Å
52V56.5Low55.5Low56 Ų5667.6 Ų67.634%0.33938%0.375SS..EExtended strand (participates in β ladder)trans-117.5112.7-178.7-166.60000106.7F50 T63 V64 W65F50-V52 HydrophobicContact CD1-CG2 3.79Å; F50-V52 HydrophobicContact CE1-CG2 3.23Å; F50-V52 HydrophobicContact CZ-CG2 4.03Å; V52-T63 HydrophobicContact CG1-CG2 3.46Å; V52-T63 VanDerWaalsContact CG1-CG2 3.46Å; V52-V64 WeakPolarHBondContact CA-O 3.29Å; V52-W65 HydrophobicContact CB-CE3 4.06Å; V52-W65 HydrophobicContact CB-CH2 4.11Å; V52-W65 HydrophobicContact CB-CZ3 3.76Å; V52-W65 HydrophobicContact CG1-CD2 3.99Å; V52-W65 HydrophobicContact CG1-CE3 3.69Å; V52-W65 HydrophobicContact CG1-CH2 3.26Å; V52-W65 HydrophobicContact CG1-CZ2 3.62Å; V52-W65 HydrophobicContact CG1-CZ3 3.36Å; V52-W65 HydrophobicContact CG2-CD2 4.44Å; V52-W65 HydrophobicContact CG2-CE3 3.4Å; V52-W65 VanDerWaalsContact CG2-CE3 3.4Å; V52-W65 HydrophobicContact CG2-CH2 3.76Å; V52-W65 HydrophobicContact CG2-CZ3 3.01Å
53E61.4Low55.8Low20 Ų2066.1 Ų66.19%0.09337%0.366CS..EExtended strand (participates in β ladder)trans-121.2127.6177.7-69.2-159.4-143.800110.3L33 Y34 K37 N51 V64L33-E53 HydrophobicContact CD1-CB 3.95Å; L33-E53 HydrophobicContact CD2-CB 3.61Å; L33-E53 HydrophobicContact CD2-CG 4.04Å; L33-E53 HydrophobicContact CG-CB 4.37Å; Y34-E53 PolarHBondContact OH-OE1 2.95Å; K37-E53 IonicContact NZ-OE2 2.65Å; K37-E53 PolarHBondContact NZ-OE2 3.23Å; N51-E53 PolarHBondContact ND2-OE1 3.11Å; E53-V64 PolarHBondContact N-O 2.86Å; E53-V64 PolarHBondContact O-N 3.07Å
54T60.8Low56.2Low80 Ų8059.8 Ų59.849%0.49133%0.328SS..EExtended strand (participates in β ladder)trans-90.4126.8172.5-57.60000109.7S61 F62T54-S61 WeakPolarHBondContact CG2-OG 3.31Å; T54-F62 CarbonylContact C-O 3.57Å; T54-F62 WeakPolarHBondContact CA-O 3.41Å
55V66.3Low56.7Low5 Ų557.7 Ų57.73%0.0331%0.313CS..EExtended strand (participates in β ladder)trans-123.8129.8174.9169.80000110.5L33 L36 K37 F62L33-V55 HydrophobicContact CD1-CB 4.03Å; L33-V55 HydrophobicContact CD1-CG2 3.16Å; L33-V55 HydrophobicContact CG-CG2 4.36Å; L36-V55 HydrophobicContact CB-CG1 4.11Å; K37-V55 HydrophobicContact CB-CG1 4.34Å; K37-V55 HydrophobicContact CB-CG2 3.7Å; K37-V55 HydrophobicContact CD-CG2 3.85Å; K37-V55 HydrophobicContact CG-CG2 3.81Å; V55-F62 HydrophobicContact CB-CB 4.41Å; V55-F62 HydrophobicContact CB-CD2 4.25Å; V55-F62 HydrophobicContact CG1-CD2 4.14Å; V55-F62 PolarHBondContact N-O 3.28Å; V55-F62 VanDerWaalsContact O-CD2 3.31Å; V55-F62 WeakPolarHBondContact O-CD2 3.01Å; V55-F62 PolarHBondContact O-N 3.43Å
56E67.3Low57.1Low136 Ų13651.2 Ų51.264%0.63628%0.28SS*.EExtended strand (participates in β ladder)trans-88.2131.1174.2-66.4-170.1-160.900110.8K14 I60K14-E56 IonicContact NZ-OE2 2.69Å; K14-E56 PolarHBondContact NZ-OE2 3.22Å; K14-E56 VanDerWaalsContact NZ-OE2 3.13Å; E56-I60 CarbonylContact C-O 3.55Å; E56-I60 WeakPolarHBondContact CA-O 3.37Å
57Y68.7Low57.6Low33 Ų3345.7 Ų45.713%0.12924%0.244CC..EExtended strand (participates in β ladder)trans-135.4121.8167.7177.4-103.6000110.3N59 I60 F62 Y166 L169 D170Y57-N59 PolarHBondContact O-N 3.36Å; Y57-I60 PolarHBondContact N-O 3.3Å; Y57-I60 WeakPolarHBondContact O-CB 3.08Å; Y57-I60 PolarHBondContact O-N 2.78Å; Y57-F62 HydrophobicContact CD1-CE2 4.41Å; Y57-F62 HydrophobicContact CD1-CZ 4.29Å; Y57-F62 HydrophobicContact CG-CE2 4.08Å; Y57-F62 HydrophobicContact CG-CZ 4.41Å; Y57-Y166 HydrophobicContact CD2-CD1 4.44Å; Y57-Y166 HydrophobicContact CD2-CE1 4.2Å; Y57-Y166 AromaticContact CE2-CD1 3.45Å; Y57-Y166 HydrophobicContact CE2-CD1 3.45Å; Y57-Y166 VanDerWaalsContact CE2-CD1 3.45Å; Y57-Y166 AromaticContact CE2-CE1 3.47Å; Y57-Y166 HydrophobicContact CE2-CE1 3.47Å; Y57-Y166 VanDerWaalsContact CE2-CE1 3.47Å; Y57-Y166 AromaticContact CZ-CD1 3.64Å; Y57-Y166 WeakPolarHBondContact OH-CD1 3.48Å; Y57-L169 HydrophobicContact CD1-CB 4.15Å; Y57-L169 HydrophobicContact CD1-CD1 3.99Å; Y57-L169 HydrophobicContact CE1-CB 3.84Å; Y57-L169 HydrophobicContact CE1-CD1 4.2Å; Y57-L169 HydrophobicContact CG-CD1 4.19Å; Y57-D170 PolarHBondContact OH-OD1 2.79Å
58K68.6Low57.9Low116 Ų11643.8 Ų43.850%0.50423%0.234SC..THydrogen-bonded Turntrans51.7-109.2-172.8-64.1178.5174.1170.30110.8D170K58-D170 VanDerWaalsContact NZ-CG 3.31Å; K58-D170 IonicContact NZ-OD1 3.09Å; K58-D170 PolarHBondContact NZ-OD1 2.77Å; K58-D170 IonicContact NZ-OD2 2.68Å; K58-D170 PolarHBondContact NZ-OD2 3.21Å
59N58.7Low58.6Low38 Ų3835.4 Ų35.420%0.20319%0.191CC..THydrogen-bonded Turntrans-109.621.2179.667-69.2000112.4Y57Y57-N59 PolarHBondContact O-N 3.36Å
60I60.8Low59.4Low6 Ų639.2 Ų39.23%0.03120%0.199CC..EExtended strand (participates in β ladder)trans-124.3138.5-171.5-62.4176.9000109.6M17 I19 E56 Y57 F62 S173M17-I60 HydrophobicContact CB-CG2 4.47Å; I19-I60 HydrophobicContact CD1-CD1 4.41Å; I19-I60 HydrophobicContact CD1-CG2 3.21Å; I19-I60 HydrophobicContact CG1-CG2 3.85Å; E56-I60 CarbonylContact C-O 3.55Å; E56-I60 WeakPolarHBondContact CA-O 3.37Å; Y57-I60 PolarHBondContact N-O 3.3Å; Y57-I60 WeakPolarHBondContact O-CB 3.08Å; Y57-I60 PolarHBondContact O-N 2.78Å; I60-F62 HydrophobicContact CG2-CD1 4.27Å; I60-F62 HydrophobicContact CG2-CE1 3.93Å; I60-F62 HydrophobicContact CG2-CZ 4.13Å; I60-S173 VanDerWaalsContact CD1-CB 3.49Å
61S60.7Low60.3Low32 Ų3240.8 Ų40.822%0.22421%0.211CC..EExtended strand (participates in β ladder)trans-109106.1173.6-166.80000109.1M17 I19 T54M17-S61 PolarHBondContact O-N 3.17Å; I19-S61 PolarHBondContact N-O 2.83Å; T54-S61 WeakPolarHBondContact CG2-OG 3.31Å
62F63Low61.3Low1 Ų147.3 Ų47.30%0.00424%0.237CC..EExtended strand (participates in β ladder)trans-75.2126170.7-56.8-69.5000108.6I19 L36 T54 V55 Y57 I60 V64 I88 L169I19-F62 HydrophobicContact CB-CD1 3.87Å; I19-F62 HydrophobicContact CB-CE1 4.45Å; I19-F62 HydrophobicContact CD1-CD1 4.09Å; I19-F62 HydrophobicContact CD1-CE1 3.83Å; I19-F62 HydrophobicContact CG1-CD1 4.49Å; I19-F62 HydrophobicContact CG2-CD1 3.79Å; I19-F62 HydrophobicContact CG2-CE1 4.24Å; L36-F62 HydrophobicContact CD1-CE2 4.27Å; T54-F62 CarbonylContact C-O 3.57Å; T54-F62 WeakPolarHBondContact CA-O 3.41Å; V55-F62 HydrophobicContact CB-CB 4.41Å; V55-F62 HydrophobicContact CB-CD2 4.25Å; V55-F62 HydrophobicContact CG1-CD2 4.14Å; V55-F62 PolarHBondContact N-O 3.28Å; V55-F62 VanDerWaalsContact O-CD2 3.31Å; V55-F62 WeakPolarHBondContact O-CD2 3.01Å; V55-F62 PolarHBondContact O-N 3.43Å; Y57-F62 HydrophobicContact CD1-CE2 4.41Å; Y57-F62 HydrophobicContact CD1-CZ 4.29Å; Y57-F62 HydrophobicContact CG-CE2 4.08Å; Y57-F62 HydrophobicContact CG-CZ 4.41Å; I60-F62 HydrophobicContact CG2-CD1 4.27Å; I60-F62 HydrophobicContact CG2-CE1 3.93Å; I60-F62 HydrophobicContact CG2-CZ 4.13Å; F62-V64 HydrophobicContact CB-CG2 4.2Å; F62-I88 HydrophobicContact CD1-CD1 3.97Å; F62-I88 HydrophobicContact CE1-CD1 3.8Å; F62-L169 HydrophobicContact CE1-CD2 3.43Å; F62-L169 VanDerWaalsContact CE1-CD2 3.43Å; F62-L169 HydrophobicContact CE2-CD1 3.94Å; F62-L169 HydrophobicContact CE2-CD2 4.32Å; F62-L169 HydrophobicContact CZ-CD1 3.59Å; F62-L169 HydrophobicContact CZ-CD2 3.28Å; F62-L169 HydrophobicContact CZ-CG 3.95Å
63T53.8Low62Low20 Ų2046.6 Ų46.612%0.12323%0.231CC..EExtended strand (participates in β ladder)trans-97.1100158.2-43.90000106.8I19 M21 V52 W65I19-T63 CarbonylContact O-C 3.55Å; I19-T63 WeakPolarHBondContact O-CA 3.34Å; I19-T63 PolarHBondContact O-N 3.33Å; M21-T63 PolarHBondContact N-O 3.47Å; V52-T63 HydrophobicContact CG1-CG2 3.46Å; V52-T63 VanDerWaalsContact CG1-CG2 3.46Å; T63-W65 HydrophobicContact CG2-CD2 4.41Å; T63-W65 VanDerWaalsContact CG2-CE2 3.46Å; T63-W65 HydrophobicContact CG2-CH2 4.24Å; T63-W65 HydrophobicContact CG2-CZ2 3.37Å; T63-W65 PolarHBondContact O-NE1 3.33Å
64V53.9Low62.8Low1 Ų146.3 Ų46.31%0.00623%0.229CC..EExtended strand (participates in β ladder)trans-83.4120.9173.5179.70000107.7M21 L33 V52 E53 F62 D66M21-V64 HydrophobicContact CB-CB 4.4Å; M21-V64 HydrophobicContact CB-CG1 4.23Å; M21-V64 HydrophobicContact CB-CG2 4.01Å; M21-V64 HydrophobicContact CE-CG2 4.05Å; M21-V64 HydrophobicContact SD-CG1 4.12Å; M21-V64 HydrophobicContact SD-CG2 4.09Å; L33-V64 HydrophobicContact CB-CB 4.34Å; L33-V64 HydrophobicContact CB-CG1 4.08Å; L33-V64 HydrophobicContact CB-CG2 4.1Å; L33-V64 HydrophobicContact CD1-CB 3.74Å; L33-V64 HydrophobicContact CD1-CG1 4.35Å; L33-V64 HydrophobicContact CD1-CG2 3.48Å; L33-V64 VanDerWaalsContact CD1-CG2 3.48Å; L33-V64 HydrophobicContact CD2-CB 4.08Å; L33-V64 HydrophobicContact CD2-CG1 3.98Å; L33-V64 HydrophobicContact CG-CB 4.26Å; L33-V64 HydrophobicContact CG-CG1 4.35Å; L33-V64 HydrophobicContact CG-CG2 4.24Å; V52-V64 WeakPolarHBondContact CA-O 3.29Å; E53-V64 PolarHBondContact N-O 2.86Å; E53-V64 PolarHBondContact O-N 3.07Å; F62-V64 HydrophobicContact CB-CG2 4.2Å; V64-D66 PolarHBondContact O-N 3.37Å
65W54.1Low63.8Low16 Ų1645.4 Ų45.46%0.06122%0.224CC..EExtended strand (participates in β ladder)trans-97.392.9172.4-57.475.1000105.1L20 M21 F50 V52 T63 V67 Y80L20-W65 HydrophobicContact CD1-CB 4.32Å; L20-W65 HydrophobicContact CD1-CG 3.71Å; M21-W65 PolarHBondContact O-N 3.05Å; F50-W65 AromaticContact CE1-CE3 3.62Å; F50-W65 HydrophobicContact CE1-CE3 3.62Å; F50-W65 AromaticContact CE1-CZ3 3.43Å; F50-W65 HydrophobicContact CE1-CZ3 3.43Å; F50-W65 VanDerWaalsContact CE1-CZ3 3.43Å; F50-W65 AromaticContact CE2-CE3 3.98Å; F50-W65 HydrophobicContact CE2-CE3 3.98Å; F50-W65 HydrophobicContact CE2-CZ3 4.47Å; F50-W65 HydrophobicContact CZ-CD2 4.33Å; F50-W65 AromaticContact CZ-CE3 3.09Å; F50-W65 HydrophobicContact CZ-CE3 3.09Å; F50-W65 AromaticContact CZ-CZ3 3.25Å; F50-W65 HydrophobicContact CZ-CZ3 3.25Å; V52-W65 HydrophobicContact CB-CE3 4.06Å; V52-W65 HydrophobicContact CB-CH2 4.11Å; V52-W65 HydrophobicContact CB-CZ3 3.76Å; V52-W65 HydrophobicContact CG1-CD2 3.99Å; V52-W65 HydrophobicContact CG1-CE3 3.69Å; V52-W65 HydrophobicContact CG1-CH2 3.26Å; V52-W65 HydrophobicContact CG1-CZ2 3.62Å; V52-W65 HydrophobicContact CG1-CZ3 3.36Å; V52-W65 HydrophobicContact CG2-CD2 4.44Å; V52-W65 HydrophobicContact CG2-CE3 3.4Å; V52-W65 VanDerWaalsContact CG2-CE3 3.4Å; V52-W65 HydrophobicContact CG2-CH2 3.76Å; V52-W65 HydrophobicContact CG2-CZ3 3.01Å; T63-W65 HydrophobicContact CG2-CD2 4.41Å; T63-W65 VanDerWaalsContact CG2-CE2 3.46Å; T63-W65 HydrophobicContact CG2-CH2 4.24Å; T63-W65 HydrophobicContact CG2-CZ2 3.37Å; T63-W65 PolarHBondContact O-NE1 3.33Å; W65-V67 HydrophobicContact CB-CG2 3.55Å; W65-V67 PolarHBondContact O-N 2.86Å; W65-Y80 HydrophobicContact CD2-CD1 4Å; W65-Y80 AromaticContact CD2-CD2 3.47Å; W65-Y80 HydrophobicContact CD2-CD2 3.47Å; W65-Y80 VanDerWaalsContact CD2-CD2 3.47Å; W65-Y80 HydrophobicContact CD2-CE1 4.4Å; W65-Y80 AromaticContact CD2-CE2 3.95Å; W65-Y80 HydrophobicContact CD2-CE2 3.95Å; W65-Y80 AromaticContact CD2-CG 3.46Å; W65-Y80 HydrophobicContact CD2-CG 3.46Å; W65-Y80 VanDerWaalsContact CD2-CG 3.46Å; W65-Y80 VanDerWaalsContact CE2-CB 3.45Å; W65-Y80 AromaticContact CE2-CD1 3.46Å; W65-Y80 VanDerWaalsContact CE2-CD1 3.46Å; W65-Y80 AromaticContact CE2-CD2 3.72Å; W65-Y80 AromaticContact CE2-CG 3.15Å; W65-Y80 AromaticContact CE3-CD1 3.95Å; W65-Y80 HydrophobicContact CE3-CD1 3.95Å; W65-Y80 AromaticContact CE3-CD2 3.42Å; W65-Y80 HydrophobicContact CE3-CD2 3.42Å; W65-Y80 VanDerWaalsContact CE3-CD2 3.42Å; W65-Y80 AromaticContact CE3-CE1 3.88Å; W65-Y80 HydrophobicContact CE3-CE1 3.88Å; W65-Y80 AromaticContact CE3-CE2 3.37Å; W65-Y80 HydrophobicContact CE3-CE2 3.37Å; W65-Y80 AromaticContact CE3-CG 3.67Å; W65-Y80 HydrophobicContact CE3-CG 3.67Å; W65-Y80 AromaticContact CE3-CZ 3.52Å; W65-Y80 HydrophobicContact CG-CD2 4.26Å; W65-Y80 HydrophobicContact CG-CG 4.37Å; W65-Y80 AromaticContact CH2-CD1 2.85Å; W65-Y80 HydrophobicContact CH2-CD1 2.85Å; W65-Y80 AromaticContact CH2-CD2 3.97Å; W65-Y80 HydrophobicContact CH2-CD2 3.97Å; W65-Y80 AromaticContact CH2-CE1 2.76Å; W65-Y80 HydrophobicContact CH2-CE1 2.76Å; W65-Y80 AromaticContact CH2-CE2 3.93Å; W65-Y80 HydrophobicContact CH2-CE2 3.93Å; W65-Y80 AromaticContact CH2-CG 3.44Å; W65-Y80 HydrophobicContact CH2-CG 3.44Å; W65-Y80 VanDerWaalsContact CH2-CG 3.44Å; W65-Y80 AromaticContact CH2-CZ 3.29Å; W65-Y80 AromaticContact CZ2-CD1 2.86Å; W65-Y80 HydrophobicContact CZ2-CD1 2.86Å; W65-Y80 AromaticContact CZ2-CD2 3.98Å; W65-Y80 HydrophobicContact CZ2-CD2 3.98Å; W65-Y80 AromaticContact CZ2-CE1 3.4Å; W65-Y80 HydrophobicContact CZ2-CE1 3.4Å; W65-Y80 HydrophobicContact CZ2-CE2 4.41Å; W65-Y80 AromaticContact CZ2-CG 3.16Å; W65-Y80 HydrophobicContact CZ2-CG 3.16Å; W65-Y80 AromaticContact CZ3-CD1 3.37Å; W65-Y80 HydrophobicContact CZ3-CD1 3.37Å; W65-Y80 AromaticContact CZ3-CD2 3.62Å; W65-Y80 HydrophobicContact CZ3-CD2 3.62Å; W65-Y80 AromaticContact CZ3-CE1 2.99Å; W65-Y80 HydrophobicContact CZ3-CE1 2.99Å; W65-Y80 AromaticContact CZ3-CE2 3.31Å; W65-Y80 HydrophobicContact CZ3-CE2 3.31Å; W65-Y80 AromaticContact CZ3-CG 3.62Å; W65-Y80 HydrophobicContact CZ3-CG 3.62Å; W65-Y80 AromaticContact CZ3-CZ 2.87Å; W65-Y80 VanDerWaalsContact CZ3-OH 3.25Å; W65-Y80 WeakPolarHBondContact CZ3-OH 3.46Å; W65-Y80 AromaticContact NE1-CG 3.85Å
66D54.3Low64.3Low10 Ų1048.3 Ų48.35%0.05324%0.239CC..EExtended strand (participates in β ladder)trans-73.565.4160.2-172.518.3000107.9T30 T47 N51 V64T30-D66 PolarHBondContact OG1-OD1 3.07Å; T30-D66 PolarHBondContact OG1-OD2 3.41Å; T47-D66 WeakPolarHBondContact CB-OD2 3.38Å; T47-D66 PolarHBondContact OG1-OD2 3.18Å; N51-D66 HydrophobicContact CB-CB 4.17Å; N51-D66 PolarHBondContact N-O 3.34Å; N51-D66 CarbonylContact O-C 3.45Å; N51-D66 WeakPolarHBondContact O-CA 3.36Å; N51-D66 PolarHBondContact O-N 3.13Å; V64-D66 PolarHBondContact O-N 3.37Å
67V53.2Low65Low0 Ų042.2 Ų42.20%021%0.21CC..EExtended strand (participates in β ladder)trans-78.9121.4158.8-1650000103F50 W65 G69 I73F50-V67 HydrophobicContact CD2-CB 4.13Å; F50-V67 HydrophobicContact CD2-CG1 3.82Å; F50-V67 HydrophobicContact CD2-CG2 3.65Å; F50-V67 HydrophobicContact CE2-CB 4.22Å; F50-V67 HydrophobicContact CE2-CG1 4.1Å; F50-V67 HydrophobicContact CE2-CG2 3.29Å; F50-V67 HydrophobicContact CZ-CG2 4.19Å; W65-V67 HydrophobicContact CB-CG2 3.55Å; W65-V67 PolarHBondContact O-N 2.86Å; V67-G69 PolarHBondContact O-N 3.44Å; V67-G69 VanDerWaalsContact O-N 3.16Å; V67-I73 HydrophobicContact CG1-CB 4.18Å; V67-I73 HydrophobicContact CG1-CD1 3.96Å; V67-I73 HydrophobicContact CG1-CG1 4.07Å
68G55.3Low65.7Low10 Ų1047.6 Ų47.610%0.10323%0.231CC..  trans-47.213316900000108.2Q70 I73G68-Q70 PolarHBondContact O-N 3.44Å; G68-Q70 VanDerWaalsContact O-N 3.07Å; G68-I73 VanDerWaalsContact C-CD1 3.49Å; G68-I73 VanDerWaalsContact CA-CD1 3.4Å; G68-I73 VanDerWaalsContact N-CD1 3.33Å; G68-I73 WeakPolarHBondContact O-CD1 3.33Å; G68-I73 WeakPolarHBondContact O-CG1 3.44Å
69G57.1Low66.3Low0 Ų047.5 Ų47.50%023%0.232CC..  trans-79.318.7-179.500000112.6V67 R74V67-G69 PolarHBondContact O-N 3.44Å; V67-G69 VanDerWaalsContact O-N 3.16Å; G69-R74 VanDerWaalsContact O-CZ 3.25Å; G69-R74 PolarHBondContact O-NE 3.11Å; G69-R74 PolarHBondContact O-NH2 2.89Å
70Q66.1Low67.2Low118 Ų11847.8 Ų47.855%0.55123%0.23SC*.SBendtrans-67.6139173.4-63.2-178.48.600109.7G68 K72 I73 R74G68-Q70 PolarHBondContact O-N 3.44Å; G68-Q70 VanDerWaalsContact O-N 3.07Å; Q70-K72 PolarHBondContact O-N 3.05Å; Q70-I73 HydrophobicContact CB-CG1 4.33Å; Q70-I73 VanDerWaalsContact O-CG1 3.28Å; Q70-I73 WeakPolarHBondContact O-CG1 3.33Å; Q70-I73 PolarHBondContact O-N 3.01Å; Q70-R74 PolarHBondContact O-N 3.13Å
71D72.2Confident68.5Low105 Ų10547.8 Ų47.856%0.56123%0.23SC*.THydrogen-bonded Turntrans-45.8-41.4-173.9-54.9-2.4000113.5I73 R74 E101D71-I73 PolarHBondContact O-N 3.22Å; D71-R74 IonicContact OD1-CZ 3.62Å; D71-R74 IonicContact OD1-NE 2.8Å; D71-R74 IonicContact OD1-NH1 3.69Å; D71-R74 PolarHBondContact OD1-NH1 3.26Å; D71-R74 IonicContact OD1-NH2 2.7Å; D71-R74 PolarHBondContact OD1-NH2 3.08Å; D71-E101 VanDerWaalsContact OD1-OE1 3.09Å
72K73.9Confident69.8Low190 Ų19051.9 Ų51.983%0.82625%0.246SC*.THydrogen-bonded Turntrans-64.7-22.1-174.1-65.8-176-179.8177.90114.4Q70Q70-K72 PolarHBondContact O-N 3.05Å
73I72.9Confident70.8Confident41 Ų4158.2 Ų58.221%0.2128%0.279CS..THydrogen-bonded Turntrans-117-7.8-172.956.9169.6000114.1V67 G68 Q70 D71 P75 L76V67-I73 HydrophobicContact CG1-CB 4.18Å; V67-I73 HydrophobicContact CG1-CD1 3.96Å; V67-I73 HydrophobicContact CG1-CG1 4.07Å; G68-I73 VanDerWaalsContact C-CD1 3.49Å; G68-I73 VanDerWaalsContact CA-CD1 3.4Å; G68-I73 VanDerWaalsContact N-CD1 3.33Å; G68-I73 WeakPolarHBondContact O-CD1 3.33Å; G68-I73 WeakPolarHBondContact O-CG1 3.44Å; Q70-I73 HydrophobicContact CB-CG1 4.33Å; Q70-I73 VanDerWaalsContact O-CG1 3.28Å; Q70-I73 WeakPolarHBondContact O-CG1 3.33Å; Q70-I73 PolarHBondContact O-N 3.01Å; D71-I73 PolarHBondContact O-N 3.22Å; I73-P75 VanDerWaalsContact C-N 3.27Å; I73-L76 HydrophobicContact CB-CD1 4.45Å; I73-L76 WeakPolarHBondContact O-CB 3.46Å; I73-L76 PolarHBondContact O-N 2.73Å; I73-L76 VanDerWaalsContact O-N 3.09Å
74R77.1Confident72.4Confident14 Ų1457.6 Ų57.65%0.05328%0.276CS..G310 helixtrans-52.9-34.1169.9-56.9-176.5-173.4151.37.4114.6G69 Q70 D71 L76 W77 E101 E105G69-R74 VanDerWaalsContact O-CZ 3.25Å; G69-R74 PolarHBondContact O-NE 3.11Å; G69-R74 PolarHBondContact O-NH2 2.89Å; Q70-R74 PolarHBondContact O-N 3.13Å; D71-R74 IonicContact OD1-CZ 3.62Å; D71-R74 IonicContact OD1-NE 2.8Å; D71-R74 IonicContact OD1-NH1 3.69Å; D71-R74 PolarHBondContact OD1-NH1 3.26Å; D71-R74 IonicContact OD1-NH2 2.7Å; D71-R74 PolarHBondContact OD1-NH2 3.08Å; R74-L76 PolarHBondContact O-N 3.26Å; R74-W77 HydrophobicContact CB-CD2 4.3Å; R74-W77 HydrophobicContact CB-CE3 4.48Å; R74-W77 HydrophobicContact CB-CH2 4.45Å; R74-W77 HydrophobicContact CB-CZ2 4.24Å; R74-W77 HydrophobicContact CG-CH2 4.02Å; R74-W77 HydrophobicContact CG-CZ2 3.79Å; R74-W77 WeakPolarHBondContact O-CB 3.33Å; R74-W77 PolarHBondContact O-N 3.03Å; R74-E101 IonicContact CZ-OE1 2.68Å; R74-E101 IonicContact NH1-OE1 3.57Å; R74-E101 PolarHBondContact NH1-OE1 3.36Å; R74-E101 IonicContact NH2-OE1 3.41Å; R74-E101 PolarHBondContact NH2-OE1 2.95Å; R74-E105 VanDerWaalsContact CD-CD 3.41Å; R74-E105 VanDerWaalsContact CD-OE1 3.26Å; R74-E105 WeakPolarHBondContact CD-OE1 3.31Å; R74-E105 IonicContact CZ-OE1 2.95Å; R74-E105 IonicContact NE-OE1 3.95Å; R74-E105 IonicContact NH1-OE1 2.69Å; R74-E105 PolarHBondContact NH1-OE1 3.37Å
75P82.4Confident74.2Confident62 Ų6260.8 Ų60.840%0.40329%0.291SS..G310 helixtrans-54.7-21.4175.3-31.539.2000115I73 W77 R78I73-P75 VanDerWaalsContact C-N 3.27Å; P75-W77 VanDerWaalsContact C-N 3.32Å; P75-R78 WeakPolarHBondContact O-CG 3.2Å; P75-R78 PolarHBondContact O-NE 3.24Å
76L76.4Confident76Confident66 Ų6660 Ų6035%0.34629%0.288SS..G310 helixtrans-76.4-17.7179.8-60.8175.9000113.2F50 I73 R74 R78 H79 Y80F50-L76 HydrophobicContact CD2-CB 4.41Å; F50-L76 HydrophobicContact CD2-CD1 3.98Å; F50-L76 HydrophobicContact CE2-CB 4.05Å; F50-L76 HydrophobicContact CE2-CD1 4.41Å; I73-L76 HydrophobicContact CB-CD1 4.45Å; I73-L76 WeakPolarHBondContact O-CB 3.46Å; I73-L76 PolarHBondContact O-N 2.73Å; I73-L76 VanDerWaalsContact O-N 3.09Å; R74-L76 PolarHBondContact O-N 3.26Å; L76-R78 PolarHBondContact O-N 2.9Å; L76-R78 VanDerWaalsContact O-N 3.13Å; L76-H79 PolarHBondContact O-CD2 2.65Å; L76-H79 VanDerWaalsContact O-CD2 3.31Å; L76-H79 PolarHBondContact O-N 2.79Å; L76-Y80 VanDerWaalsContact O-CE2 3.25Å; L76-Y80 WeakPolarHBondContact O-CE2 3.34Å
77W81.8Confident77.8Confident7 Ų759.6 Ų59.63%0.02729%0.285CS..G310 helixtrans-56-34-179-63.3-5.9000112.2V22 R74 P75 H79 Y80 F81 E105 M109V22-W77 HydrophobicContact CG1-CD2 4.45Å; R74-W77 HydrophobicContact CB-CD2 4.3Å; R74-W77 HydrophobicContact CB-CE3 4.48Å; R74-W77 HydrophobicContact CB-CH2 4.45Å; R74-W77 HydrophobicContact CB-CZ2 4.24Å; R74-W77 HydrophobicContact CG-CH2 4.02Å; R74-W77 HydrophobicContact CG-CZ2 3.79Å; R74-W77 WeakPolarHBondContact O-CB 3.33Å; R74-W77 PolarHBondContact O-N 3.03Å; P75-W77 VanDerWaalsContact C-N 3.32Å; W77-H79 PolarHBondContact O-N 2.89Å; W77-H79 VanDerWaalsContact O-N 3.13Å; W77-Y80 WeakPolarHBondContact O-CD2 3.43Å; W77-Y80 PolarHBondContact O-N 2.68Å; W77-F81 VanDerWaalsContact C-CE1 3.44Å; W77-F81 HydrophobicContact CB-CE1 3.85Å; W77-F81 HydrophobicContact CB-CZ 3.86Å; W77-F81 VanDerWaalsContact O-CD1 3.31Å; W77-F81 WeakPolarHBondContact O-CD1 3.43Å; W77-F81 WeakPolarHBondContact O-CE1 3.31Å; W77-E105 HydrophobicContact CH2-CB 4.47Å; W77-E105 HydrophobicContact CZ3-CB 4.12Å; W77-M109 HydrophobicContact CD2-SD 4.38Å; W77-M109 HydrophobicContact CE3-CE 4.26Å; W77-M109 HydrophobicContact CE3-CG 3.92Å; W77-M109 HydrophobicContact CE3-SD 3.32Å; W77-M109 HydrophobicContact CZ3-CG 4.21Å; W77-M109 HydrophobicContact CZ3-SD 3.48Å; W77-M109 WeakPolarHBondContact CZ3-SD 3.35Å
78R82.6Confident79.8Confident147 Ų14759.6 Ų59.656%0.55529%0.285SS*.G310 helixtrans-57.9-28.1-17880.5-178.395.4-175.56.6114.6P75 L76 Y80 F81P75-R78 WeakPolarHBondContact O-CG 3.2Å; P75-R78 PolarHBondContact O-NE 3.24Å; L76-R78 PolarHBondContact O-N 2.9Å; L76-R78 VanDerWaalsContact O-N 3.13Å; R78-Y80 PolarHBondContact O-N 2.86Å; R78-F81 VanDerWaalsContact CA-CE2 3.45Å; R78-F81 HydrophobicContact CB-CD2 4.13Å; R78-F81 HydrophobicContact CB-CE2 3.86Å; R78-F81 HydrophobicContact CB-CZ 4.42Å; R78-F81 PolarHBondContact O-N 3.43Å
79H81.1Confident81.7Confident113 Ų11359.1 Ų59.152%0.52328%0.28SS..G310 helixtrans-65.7-7.8179.3-62.8-59.1000112.8L76 W77L76-H79 PolarHBondContact O-CD2 2.65Å; L76-H79 VanDerWaalsContact O-CD2 3.31Å; L76-H79 PolarHBondContact O-N 2.79Å; W77-H79 PolarHBondContact O-N 2.89Å; W77-H79 VanDerWaalsContact O-N 3.13Å
80Y79.3Confident83.6Confident45 Ų4559.1 Ų59.118%0.17628%0.281CS..G310 helixtrans-120.62-172.8-49.2-57.9000114.6R18 F50 W65 L76 W77 R78 T84R18-Y80 PolarHBondContact NH2-O 2.74Å; F50-Y80 HydrophobicContact CE1-CE2 4.24Å; F50-Y80 AromaticContact CE1-CZ 3.98Å; F50-Y80 VanDerWaalsContact CE1-OH 3.23Å; F50-Y80 WeakPolarHBondContact CE1-OH 3.31Å; F50-Y80 AromaticContact CE2-CE2 3.79Å; F50-Y80 HydrophobicContact CE2-CE2 3.79Å; F50-Y80 HydrophobicContact CZ-CD2 4.22Å; F50-Y80 AromaticContact CZ-CE2 3.22Å; F50-Y80 HydrophobicContact CZ-CE2 3.22Å; F50-Y80 AromaticContact CZ-CZ 3.38Å; F50-Y80 WeakPolarHBondContact CZ-OH 3.38Å; W65-Y80 HydrophobicContact CD2-CD1 4Å; W65-Y80 AromaticContact CD2-CD2 3.47Å; W65-Y80 HydrophobicContact CD2-CD2 3.47Å; W65-Y80 VanDerWaalsContact CD2-CD2 3.47Å; W65-Y80 HydrophobicContact CD2-CE1 4.4Å; W65-Y80 AromaticContact CD2-CE2 3.95Å; W65-Y80 HydrophobicContact CD2-CE2 3.95Å; W65-Y80 AromaticContact CD2-CG 3.46Å; W65-Y80 HydrophobicContact CD2-CG 3.46Å; W65-Y80 VanDerWaalsContact CD2-CG 3.46Å; W65-Y80 VanDerWaalsContact CE2-CB 3.45Å; W65-Y80 AromaticContact CE2-CD1 3.46Å; W65-Y80 VanDerWaalsContact CE2-CD1 3.46Å; W65-Y80 AromaticContact CE2-CD2 3.72Å; W65-Y80 AromaticContact CE2-CG 3.15Å; W65-Y80 AromaticContact CE3-CD1 3.95Å; W65-Y80 HydrophobicContact CE3-CD1 3.95Å; W65-Y80 AromaticContact CE3-CD2 3.42Å; W65-Y80 HydrophobicContact CE3-CD2 3.42Å; W65-Y80 VanDerWaalsContact CE3-CD2 3.42Å; W65-Y80 AromaticContact CE3-CE1 3.88Å; W65-Y80 HydrophobicContact CE3-CE1 3.88Å; W65-Y80 AromaticContact CE3-CE2 3.37Å; W65-Y80 HydrophobicContact CE3-CE2 3.37Å; W65-Y80 AromaticContact CE3-CG 3.67Å; W65-Y80 HydrophobicContact CE3-CG 3.67Å; W65-Y80 AromaticContact CE3-CZ 3.52Å; W65-Y80 HydrophobicContact CG-CD2 4.26Å; W65-Y80 HydrophobicContact CG-CG 4.37Å; W65-Y80 AromaticContact CH2-CD1 2.85Å; W65-Y80 HydrophobicContact CH2-CD1 2.85Å; W65-Y80 AromaticContact CH2-CD2 3.97Å; W65-Y80 HydrophobicContact CH2-CD2 3.97Å; W65-Y80 AromaticContact CH2-CE1 2.76Å; W65-Y80 HydrophobicContact CH2-CE1 2.76Å; W65-Y80 AromaticContact CH2-CE2 3.93Å; W65-Y80 HydrophobicContact CH2-CE2 3.93Å; W65-Y80 AromaticContact CH2-CG 3.44Å; W65-Y80 HydrophobicContact CH2-CG 3.44Å; W65-Y80 VanDerWaalsContact CH2-CG 3.44Å; W65-Y80 AromaticContact CH2-CZ 3.29Å; W65-Y80 AromaticContact CZ2-CD1 2.86Å; W65-Y80 HydrophobicContact CZ2-CD1 2.86Å; W65-Y80 AromaticContact CZ2-CD2 3.98Å; W65-Y80 HydrophobicContact CZ2-CD2 3.98Å; W65-Y80 AromaticContact CZ2-CE1 3.4Å; W65-Y80 HydrophobicContact CZ2-CE1 3.4Å; W65-Y80 HydrophobicContact CZ2-CE2 4.41Å; W65-Y80 AromaticContact CZ2-CG 3.16Å; W65-Y80 HydrophobicContact CZ2-CG 3.16Å; W65-Y80 AromaticContact CZ3-CD1 3.37Å; W65-Y80 HydrophobicContact CZ3-CD1 3.37Å; W65-Y80 AromaticContact CZ3-CD2 3.62Å; W65-Y80 HydrophobicContact CZ3-CD2 3.62Å; W65-Y80 AromaticContact CZ3-CE1 2.99Å; W65-Y80 HydrophobicContact CZ3-CE1 2.99Å; W65-Y80 AromaticContact CZ3-CE2 3.31Å; W65-Y80 HydrophobicContact CZ3-CE2 3.31Å; W65-Y80 AromaticContact CZ3-CG 3.62Å; W65-Y80 HydrophobicContact CZ3-CG 3.62Å; W65-Y80 AromaticContact CZ3-CZ 2.87Å; W65-Y80 VanDerWaalsContact CZ3-OH 3.25Å; W65-Y80 WeakPolarHBondContact CZ3-OH 3.46Å; W65-Y80 AromaticContact NE1-CG 3.85Å; L76-Y80 VanDerWaalsContact O-CE2 3.25Å; L76-Y80 WeakPolarHBondContact O-CE2 3.34Å; W77-Y80 WeakPolarHBondContact O-CD2 3.43Å; W77-Y80 PolarHBondContact O-N 2.68Å; R78-Y80 PolarHBondContact O-N 2.86Å; Y80-T84 PolarHBondContact O-OG1 2.81Å
81F88Confident85.1Confident6 Ų653.8 Ų53.83%0.02626%0.256CS..  trans-72.2-36.7-179.8-62.4-11.6000112.2L20 W77 R78 N83 T84 M109 E112 E114 L115L20-F81 HydrophobicContact CD2-CD1 3.54Å; L20-F81 HydrophobicContact CD2-CE1 3.74Å; W77-F81 VanDerWaalsContact C-CE1 3.44Å; W77-F81 HydrophobicContact CB-CE1 3.85Å; W77-F81 HydrophobicContact CB-CZ 3.86Å; W77-F81 VanDerWaalsContact O-CD1 3.31Å; W77-F81 WeakPolarHBondContact O-CD1 3.43Å; W77-F81 WeakPolarHBondContact O-CE1 3.31Å; R78-F81 VanDerWaalsContact CA-CE2 3.45Å; R78-F81 HydrophobicContact CB-CD2 4.13Å; R78-F81 HydrophobicContact CB-CE2 3.86Å; R78-F81 HydrophobicContact CB-CZ 4.42Å; R78-F81 PolarHBondContact O-N 3.43Å; F81-N83 PolarHBondContact O-N 3.02Å; F81-T84 VanDerWaalsContact O-CB 3.23Å; F81-T84 WeakPolarHBondContact O-CB 3.49Å; F81-T84 PolarHBondContact O-N 2.91Å; F81-T84 PolarHBondContact O-OG1 3.11Å; F81-M109 HydrophobicContact CD1-CE 4.49Å; F81-M109 HydrophobicContact CE1-CE 3.51Å; F81-M109 HydrophobicContact CZ-CE 3.86Å; F81-M109 HydrophobicContact CZ-CG 4.14Å; F81-E112 HydrophobicContact CD2-CB 3.86Å; F81-E112 HydrophobicContact CD2-CG 3.95Å; F81-E112 HydrophobicContact CE2-CB 4.07Å; F81-E112 HydrophobicContact CE2-CG 3.64Å; F81-E114 HydrophobicContact CB-CB 3.63Å; F81-E114 HydrophobicContact CB-CG 4.46Å; F81-L115 HydrophobicContact CB-CD1 4.44Å; F81-L115 HydrophobicContact CB-CD2 3.93Å; F81-L115 HydrophobicContact CB-CG 3.85Å; F81-L115 HydrophobicContact CD1-CD1 3.67Å; F81-L115 HydrophobicContact CD1-CD2 4.14Å; F81-L115 HydrophobicContact CD1-CG 4.01Å; F81-L115 HydrophobicContact CD2-CD1 4.14Å; F81-L115 HydrophobicContact CD2-CG 4.24Å; F81-L115 HydrophobicContact CE1-CD1 3.87Å; F81-L115 HydrophobicContact CE2-CD1 4.33Å; F81-L115 HydrophobicContact CG-CD1 3.82Å; F81-L115 HydrophobicContact CG-CD2 4.15Å; F81-L115 HydrophobicContact CG-CG 3.77Å; F81-L115 HydrophobicContact CZ-CD1 4.2Å
82Q86.5Confident86.3Confident118 Ų11849.8 Ų49.855%0.55124%0.235SC*.THydrogen-bonded Turntrans-51.6135179.5-70.4-175.7-1800111.8R18 T84 E114R18-Q82 VanDerWaalsContact CZ-O 3.28Å; R18-Q82 PolarHBondContact NH1-O 3.23Å; Q82-T84 PolarHBondContact O-N 2.87Å; Q82-E114 HydrophobicContact CG-CG 4.1Å
83N84.7Confident87.5Confident133 Ų13340.8 Ų40.871%0.71120%0.195SC*.THydrogen-bonded Turntrans57.812.1179.8-51.6-36.7000115.3R18 F81 Q85R18-N83 WeakPolarHBondContact CB-O 3.45Å; F81-N83 PolarHBondContact O-N 3.02Å; N83-Q85 PolarHBondContact O-N 2.88Å
84T88.1Confident88.7Confident8 Ų841.5 Ų41.55%0.04920%0.2CC..  trans-76.9121.5175.3-73.30000109.6L20 Y80 F81 Q82 G86 L115L20-T84 HydrophobicContact CB-CG2 3.59Å; L20-T84 HydrophobicContact CD2-CG2 4.49Å; Y80-T84 PolarHBondContact O-OG1 2.81Å; F81-T84 VanDerWaalsContact O-CB 3.23Å; F81-T84 WeakPolarHBondContact O-CB 3.49Å; F81-T84 PolarHBondContact O-N 2.91Å; F81-T84 PolarHBondContact O-OG1 3.11Å; Q82-T84 PolarHBondContact O-N 2.87Å; T84-G86 WeakPolarHBondContact CG2-O 3.42Å; T84-L115 HydrophobicContact CG2-CD2 3.85Å
85Q90.9Very high89.6Confident68 Ų6842.3 Ų42.332%0.31821%0.205SC..  trans-98.3-27.7-177.7-62.6166.1-85.700112.1M17 R18 N83 A118 V119 L176M17-Q85 VanDerWaalsContact CA-OE1 3.27Å; M17-Q85 PolarHBondContact SD-NE2 3.43Å; R18-Q85 VanDerWaalsContact N-OE1 3.09Å; R18-Q85 PolarHBondContact O-N 2.76Å; N83-Q85 PolarHBondContact O-N 2.88Å; Q85-A118 WeakPolarHBondContact O-CA 3.34Å; Q85-V119 PolarHBondContact O-N 3.17Å; Q85-L176 HydrophobicContact CB-CD2 4.02Å; Q85-L176 VanDerWaalsContact O-CD2 3.31Å; Q85-L176 WeakPolarHBondContact O-CD2 3.41Å
86G92.3Very high90.3Very high0 Ų044.4 Ų44.40%021%0.205CC..EExtended strand (participates in β ladder)trans-130.7141.8175.600000111.5R18 I19 L20 T84 V119R18-G86 PolarHBondContact O-N 2.87Å; I19-G86 CarbonylContact C-O 3.59Å; I19-G86 VanDerWaalsContact CA-O 3.26Å; I19-G86 WeakPolarHBondContact CA-O 3.25Å; I19-G86 WeakPolarHBondContact CG2-O 3.25Å; L20-G86 PolarHBondContact N-O 3.46Å; T84-G86 WeakPolarHBondContact CG2-O 3.42Å; G86-V119 CarbonylContact C-O 3.58Å; G86-V119 WeakPolarHBondContact CA-O 3.49Å
87L93.1Very high91.3Very high0 Ų050 Ų500%023%0.229CC..EExtended strand (participates in β ladder)trans-119122.2175.3175.563.6000108.8L20 V22 M109 L110 L115 V119 L120 L121L20-L87 HydrophobicContact CB-CD1 4.16Å; L20-L87 HydrophobicContact CD2-CD1 4.09Å; L20-L87 HydrophobicContact CG-CD1 3.88Å; L20-L87 CarbonylContact O-C 3.52Å; L20-L87 WeakPolarHBondContact O-CA 3.46Å; V22-L87 HydrophobicContact CG2-CD1 3.65Å; L87-M109 HydrophobicContact CD1-CE 3.86Å; L87-M109 HydrophobicContact CD2-CE 4.41Å; L87-L110 HydrophobicContact CD2-CD2 3.67Å; L87-L115 HydrophobicContact CD2-CD1 4.46Å; L87-V119 PolarHBondContact N-O 3.2Å; L87-L120 HydrophobicContact CB-CD1 4.46Å; L87-L120 HydrophobicContact CD2-CD1 3.99Å; L87-L120 HydrophobicContact CG-CD1 4.08Å; L87-L120 CarbonylContact O-C 3.57Å; L87-L120 WeakPolarHBondContact O-CA 3.5Å; L87-L121 PolarHBondContact O-N 2.92Å
88I94.6Very high91.9Very high0 Ų053 Ų530%024%0.241CC..EExtended strand (participates in β ladder)trans-102.5114.5169.4-56.8177.8000108I19 L20 M21 V22 F62 V90 L121 F123 L169 L172I19-I88 HydrophobicContact CG2-CD1 3.85Å; I19-I88 HydrophobicContact CG2-CG1 3.79Å; L20-I88 PolarHBondContact O-N 3Å; M21-I88 CarbonylContact C-O 3.55Å; M21-I88 VanDerWaalsContact CA-O 3.3Å; M21-I88 WeakPolarHBondContact CA-O 3.26Å; M21-I88 HydrophobicContact CB-CB 4.18Å; M21-I88 HydrophobicContact CE-CD1 4.02Å; M21-I88 HydrophobicContact CE-CG2 4.24Å; M21-I88 HydrophobicContact CG-CB 4.07Å; M21-I88 HydrophobicContact CG-CG2 4.05Å; V22-I88 PolarHBondContact N-O 3.02Å; F62-I88 HydrophobicContact CD1-CD1 3.97Å; F62-I88 HydrophobicContact CE1-CD1 3.8Å; I88-V90 HydrophobicContact CG2-CG2 4.21Å; I88-L121 CarbonylContact C-O 3.56Å; I88-L121 VanDerWaalsContact CA-O 3.25Å; I88-L121 WeakPolarHBondContact CA-O 3.37Å; I88-L121 HydrophobicContact CD1-CD2 4.39Å; I88-L121 HydrophobicContact CG1-CB 4.32Å; I88-L121 HydrophobicContact CG1-CD2 4.2Å; I88-F123 HydrophobicContact CD1-CE2 4.41Å; I88-F123 HydrophobicContact CG2-CD2 3.37Å; I88-F123 HydrophobicContact CG2-CE2 3.63Å; I88-F123 HydrophobicContact CG2-CG 4.26Å; I88-L169 HydrophobicContact CD1-CD2 3.75Å; I88-L172 HydrophobicContact CD1-CD2 3.92Å; I88-L172 HydrophobicContact CG1-CD2 3.72Å
89F95.6Very high92.5Very high0 Ų046.2 Ų46.20%022%0.216CC..EExtended strand (participates in β ladder)trans-103.8115.3175.5-164.3-98.4000110.1V22 V91 A102 L106 M109 L120 L121 V122 F123V22-F89 HydrophobicContact CG2-CD2 3.82Å; V22-F89 HydrophobicContact CG2-CE2 4.35Å; V22-F89 CarbonylContact O-C 3.58Å; V22-F89 WeakPolarHBondContact O-CA 3.11Å; F89-V91 HydrophobicContact CD1-CG2 3.57Å; F89-V91 HydrophobicContact CE1-CG2 3.66Å; F89-A102 HydrophobicContact CE1-CB 4.25Å; F89-A102 HydrophobicContact CZ-CB 4.46Å; F89-A102 VanDerWaalsContact CZ-O 3.25Å; F89-A102 WeakPolarHBondContact CZ-O 3.35Å; F89-L106 HydrophobicContact CB-CD1 4.08Å; F89-L106 HydrophobicContact CD1-CB 4.33Å; F89-L106 HydrophobicContact CD1-CD1 4.21Å; F89-L106 HydrophobicContact CD1-CD2 4.34Å; F89-L106 HydrophobicContact CD2-CB 4.37Å; F89-L106 HydrophobicContact CD2-CD1 3.85Å; F89-L106 HydrophobicContact CE1-CB 3.96Å; F89-L106 HydrophobicContact CE2-CB 4.01Å; F89-L106 HydrophobicContact CE2-CD1 4.33Å; F89-L106 HydrophobicContact CG-CD1 3.79Å; F89-L106 HydrophobicContact CZ-CB 3.8Å; F89-M109 HydrophobicContact CE2-SD 4.41Å; F89-L120 HydrophobicContact CB-CD1 4.07Å; F89-L121 PolarHBondContact N-O 3.12Å; F89-V122 CarbonylContact O-C 3.44Å; F89-V122 VanDerWaalsContact O-CA 3.31Å; F89-V122 WeakPolarHBondContact O-CA 3.46Å; F89-F123 PolarHBondContact O-N 2.88Å
90V95.8Very high93.2Very high1 Ų143 Ų431%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-97.3127.1-176.8-170.30000109.7M21 V22 A27 K29 I32 I88 F123 N125M21-V90 HydrophobicContact CG-CG2 3.78Å; M21-V90 HydrophobicContact SD-CG2 4.02Å; V22-V90 PolarHBondContact O-N 3.37Å; A27-V90 HydrophobicContact CB-CB 4.36Å; A27-V90 HydrophobicContact CB-CG1 4.09Å; A27-V90 WeakPolarHBondContact CB-O 3.23Å; A27-V90 WeakPolarHBondContact O-CG1 3.36Å; K29-V90 HydrophobicContact CG-CB 3.95Å; K29-V90 HydrophobicContact CG-CG2 3.93Å; I32-V90 HydrophobicContact CD1-CG1 3.76Å; I32-V90 HydrophobicContact CD1-CG2 3.98Å; I88-V90 HydrophobicContact CG2-CG2 4.21Å; V90-F123 HydrophobicContact CG1-CB 4.42Å; V90-F123 HydrophobicContact CG2-CB 4.47Å; V90-F123 HydrophobicContact CG2-CD2 4.4Å; V90-N125 HydrophobicContact CG1-CB 3.93Å
91V97.6Very high94Very high5 Ų543.1 Ų43.13%0.0321%0.211CC..EExtended strand (participates in β ladder)trans-118.9130.8-179.9-175.10000109.5F89 S93 V122 F123 N125 L138 L142F89-V91 HydrophobicContact CD1-CG2 3.57Å; F89-V91 HydrophobicContact CE1-CG2 3.66Å; V91-S93 PolarHBondContact O-N 3.41Å; V91-V122 HydrophobicContact CG2-CG1 4.11Å; V91-F123 PolarHBondContact N-O 2.83Å; V91-N125 PolarHBondContact O-N 3.39Å; V91-L138 HydrophobicContact CG1-CD1 4.29Å; V91-L138 HydrophobicContact CG1-CD2 3.85Å; V91-L142 HydrophobicContact CG2-CD1 3.97Å
92D97.4Very high94.3Very high22 Ų2243 Ų4312%0.11821%0.211CC..EExtended strand (participates in β ladder)trans-70.8108.5166-172.7-20.2000108.8N94 D95 K126D92-N94 PolarHBondContact O-N 3.43Å; D92-N94 WeakPolarHBondContact OD1-CA 3.39Å; D92-N94 WeakPolarHBondContact OD1-CB 3.48Å; D92-N94 PolarHBondContact OD1-N 3.24Å; D92-D95 HydrophobicContact CB-CB 3.75Å; D92-D95 PolarHBondContact O-N 3.43Å; D92-D95 PolarHBondContact OD1-N 2.82Å; D92-K126 WeakPolarHBondContact OD1-CD 3.09Å; D92-K126 IonicContact OD1-NZ 3.9Å; D92-K126 VanDerWaalsContact OD2-CE 3.26Å; D92-K126 WeakPolarHBondContact OD2-CE 3.39Å; D92-K126 IonicContact OD2-NZ 3.97Å; D92-K126 PolarHBondContact OD2-NZ 2.94Å
93S98.6Very high94.8Very high0 Ų041.7 Ų41.70%020%0.201CC..THydrogen-bonded Turntrans-70.3-21.8-178.2-53.10000112.4V91 A124 N125 Q127 A132 M133V91-S93 PolarHBondContact O-N 3.41Å; S93-A124 PolarHBondContact OG-O 3.28Å; S93-N125 WeakPolarHBondContact CB-O 3.33Å; S93-N125 PolarHBondContact N-O 2.65Å; S93-N125 PolarHBondContact OG-N 3.36Å; S93-N125 PolarHBondContact OG-O 3.39Å; S93-Q127 PolarHBondContact OG-NE2 3.48Å; S93-A132 CarbonylContact O-C 3.59Å; S93-A132 WeakPolarHBondContact O-CA 3.2Å; S93-M133 WeakPolarHBondContact CB-O 3.3Å; S93-M133 WeakPolarHBondContact O-CB 3.43Å; S93-M133 WeakPolarHBondContact O-CE 3.31Å; S93-M133 WeakPolarHBondContact O-CG 3.15Å; S93-M133 PolarHBondContact O-N 3.43Å
94N98Very high95.4Very high57 Ų5740.8 Ų40.831%0.30519%0.192SC..THydrogen-bonded Turntrans-88.7-13.2179.6-165.475.1000112.2D92 R96 L129 N131D92-N94 PolarHBondContact O-N 3.43Å; D92-N94 WeakPolarHBondContact OD1-CA 3.39Å; D92-N94 WeakPolarHBondContact OD1-CB 3.48Å; D92-N94 PolarHBondContact OD1-N 3.24Å; N94-R96 PolarHBondContact O-N 3.4Å; N94-L129 HydrophobicContact CB-CB 4Å; N94-L129 HydrophobicContact CB-CD1 3.53Å; N94-L129 HydrophobicContact CB-CG 4.4Å; N94-N131 WeakPolarHBondContact OD1-CB 3.42Å
95D97.1Very high95.6Very high30 Ų3041.2 Ų41.216%0.1619%0.194CC..  trans-87.979.7176.5-160.7-33.3000111.8D92 E97 R98 C99D92-D95 HydrophobicContact CB-CB 3.75Å; D92-D95 PolarHBondContact O-N 3.43Å; D92-D95 PolarHBondContact OD1-N 2.82Å; D95-E97 VanDerWaalsContact C-N 3.29Å; D95-E97 PolarHBondContact O-N 2.77Å; D95-E97 PolarHBondContact OD1-N 2.59Å; D95-R98 WeakPolarHBondContact OD1-CB 3.47Å; D95-R98 PolarHBondContact OD1-N 2.92Å; D95-R98 IonicContact OD1-NE 3.23Å; D95-R98 IonicContact OD2-CZ 2.64Å; D95-R98 IonicContact OD2-NE 3.98Å; D95-R98 PolarHBondContact OD2-NE 3.04Å; D95-R98 IonicContact OD2-NH2 3.89Å; D95-R98 PolarHBondContact OD2-NH2 2.8Å; D95-C99 PolarHBondContact O-N 3.28Å
96R97.2Very high95.8Very high106 Ų10638 Ų3840%0.418%0.179SC..  trans-68.6-28.8-179-69.1174.2169.9-83.6-12.8112.6N94 N131 M133 E137N94-R96 PolarHBondContact O-N 3.4Å; R96-N131 PolarHBondContact NE-O 2.94Å; R96-N131 PolarHBondContact NH2-O 3.46Å; R96-M133 HydrophobicContact CG-CE 4.09Å; R96-M133 HydrophobicContact CG-CG 3.88Å; R96-M133 HydrophobicContact CG-SD 3.89Å; R96-E137 IonicContact CZ-OE1 2.78Å; R96-E137 IonicContact CZ-OE2 3.15Å; R96-E137 IonicContact NH1-OE1 3.21Å; R96-E137 PolarHBondContact NH1-OE1 3.18Å; R96-E137 IonicContact NH1-OE2 3.78Å; R96-E137 PolarHBondContact NH1-OE2 2.92Å; R96-E137 IonicContact NH2-OE1 2.77Å; R96-E137 IonicContact NH2-OE2 3.08Å; R96-E137 PolarHBondContact NH2-OE2 3.35Å
97E96.2Very high96Very high184 Ų18440.9 Ų40.986%0.8619%0.194SC*.SBendtrans-73.1-43.7-176.2-64.8-177.2177.500111.5D95 C99D95-E97 VanDerWaalsContact C-N 3.29Å; D95-E97 PolarHBondContact O-N 2.77Å; D95-E97 PolarHBondContact OD1-N 2.59Å; E97-C99 VanDerWaalsContact C-N 3.33Å; E97-C99 PolarHBondContact O-N 2.93Å
98R95.1Very high96Very high70 Ų7048 Ų4826%0.26422%0.221SC..THydrogen-bonded Turntrans-90.17.7-179-62-172.1-69.2166.31.5114.1L24 D25 D95 A100 E101 A102L24-R98 HydrophobicContact CD1-CB 3.86Å; D25-R98 VanDerWaalsContact CG-NH1 3.33Å; D25-R98 IonicContact OD1-NH1 2.84Å; D25-R98 PolarHBondContact OD1-NH1 3.24Å; D25-R98 IonicContact OD2-CZ 3.69Å; D25-R98 IonicContact OD2-NH1 3.04Å; D25-R98 PolarHBondContact OD2-NH1 2.9Å; D25-R98 IonicContact OD2-NH2 3.04Å; D95-R98 WeakPolarHBondContact OD1-CB 3.47Å; D95-R98 PolarHBondContact OD1-N 2.92Å; D95-R98 IonicContact OD1-NE 3.23Å; D95-R98 IonicContact OD2-CZ 2.64Å; D95-R98 IonicContact OD2-NE 3.98Å; D95-R98 PolarHBondContact OD2-NE 3.04Å; D95-R98 IonicContact OD2-NH2 3.89Å; D95-R98 PolarHBondContact OD2-NH2 2.8Å; R98-A100 VanDerWaalsContact C-N 3.3Å; R98-A100 PolarHBondContact O-N 2.83Å; R98-E101 WeakPolarHBondContact O-CB 3.49Å; R98-E101 PolarHBondContact O-N 3.15Å; R98-A102 PolarHBondContact O-N 3.14Å
99C95.6Very high95.9Very high5 Ų548.2 Ų48.23%0.03422%0.222CC..Hα-helixtrans-63.1-36.4177.5-168.90000112.6D95 E97 A102 R103 M133 K141D95-C99 PolarHBondContact O-N 3.28Å; E97-C99 VanDerWaalsContact C-N 3.33Å; E97-C99 PolarHBondContact O-N 2.93Å; C99-A102 PolarHBondContact O-N 3.4Å; C99-R103 PolarHBondContact O-N 2.76Å; C99-M133 HydrophobicContact CB-CE 4Å; C99-M133 HydrophobicContact CB-SD 4.33Å; C99-K141 HydrophobicContact CB-CD 4.43Å
100A96.1Very high95.8Very high46 Ų4649.1 Ų49.138%0.3823%0.227SC..Hα-helixtrans-65.5-40.5175.800000112R98 R103 E104R98-A100 VanDerWaalsContact C-N 3.3Å; R98-A100 PolarHBondContact O-N 2.83Å; A100-R103 WeakPolarHBondContact O-CB 3.13Å; A100-R103 PolarHBondContact O-N 3.23Å; A100-E104 WeakPolarHBondContact O-CG 3.27Å; A100-E104 PolarHBondContact O-N 3.39Å
101E94.9Very high95.8Very high47 Ų4752.8 Ų52.822%0.2226%0.257CS..Hα-helixtrans-64.2-43.1174.1176.9179.2-15700111.4L24 D71 R74 R98 R103 E104 E105L24-E101 HydrophobicContact CD1-CB 4.25Å; L24-E101 HydrophobicContact CD1-CG 4.03Å; L24-E101 HydrophobicContact CD2-CG 4.25Å; D71-E101 VanDerWaalsContact OD1-OE1 3.09Å; R74-E101 IonicContact CZ-OE1 2.68Å; R74-E101 IonicContact NH1-OE1 3.57Å; R74-E101 PolarHBondContact NH1-OE1 3.36Å; R74-E101 IonicContact NH2-OE1 3.41Å; R74-E101 PolarHBondContact NH2-OE1 2.95Å; R98-E101 WeakPolarHBondContact O-CB 3.49Å; R98-E101 PolarHBondContact O-N 3.15Å; E101-R103 VanDerWaalsContact C-N 3.28Å; E101-R103 PolarHBondContact O-N 3.19Å; E101-E104 PolarHBondContact O-N 2.89Å; E101-E104 VanDerWaalsContact O-N 3.13Å; E101-E105 PolarHBondContact O-N 3.41Å
102A95.3Very high95.6Very high3 Ų356.1 Ų56.13%0.02527%0.272CS..Hα-helixtrans-59.5-39.9175.300000111.7L24 F89 R98 C99 L106 L142L24-A102 HydrophobicContact CD1-CB 3.85Å; L24-A102 HydrophobicContact CG-CB 4.01Å; F89-A102 HydrophobicContact CE1-CB 4.25Å; F89-A102 HydrophobicContact CZ-CB 4.46Å; F89-A102 VanDerWaalsContact CZ-O 3.25Å; F89-A102 WeakPolarHBondContact CZ-O 3.35Å; R98-A102 PolarHBondContact O-N 3.14Å; C99-A102 PolarHBondContact O-N 3.4Å; A102-L106 WeakPolarHBondContact O-CB 3.13Å; A102-L106 PolarHBondContact O-N 2.9Å; A102-L142 HydrophobicContact CB-CD2 4.37Å
103R97.5Very high95.5Very high90 Ų9060.2 Ų60.234%0.3429%0.294SS..Hα-helixtrans-61-48.8172.7176.7-171.163.1-163.53.5111.4C99 A100 E101 E105 L106 L107 K141 L142C99-R103 PolarHBondContact O-N 2.76Å; A100-R103 WeakPolarHBondContact O-CB 3.13Å; A100-R103 PolarHBondContact O-N 3.23Å; E101-R103 VanDerWaalsContact C-N 3.28Å; E101-R103 PolarHBondContact O-N 3.19Å; R103-E105 VanDerWaalsContact C-N 3.33Å; R103-E105 PolarHBondContact O-N 2.97Å; R103-L106 PolarHBondContact O-N 3.01Å; R103-L107 HydrophobicContact CG-CD1 3.86Å; R103-L107 HydrophobicContact CG-CG 4.24Å; R103-L107 WeakPolarHBondContact O-CG 3.36Å; R103-L107 PolarHBondContact O-N 3.02Å; R103-K141 WeakPolarHBondContact CD-O 3.41Å; R103-L142 HydrophobicContact CB-CD2 4.11Å
104E95.8Very high95.3Very high114 Ų11464.4 Ų64.453%0.53331%0.314SS..Hα-helixtrans-60.2-44.3-177.8-74.8177-168.200111.7A100 E101 L107 R108A100-E104 WeakPolarHBondContact O-CG 3.27Å; A100-E104 PolarHBondContact O-N 3.39Å; E101-E104 PolarHBondContact O-N 2.89Å; E101-E104 VanDerWaalsContact O-N 3.13Å; E104-L107 PolarHBondContact O-N 3.16Å; E104-R108 VanDerWaalsContact O-CB 3.3Å; E104-R108 WeakPolarHBondContact O-CB 3.44Å; E104-R108 PolarHBondContact O-N 2.89Å
105E92.9Very high95.1Very high18 Ų1861.7 Ų61.78%0.08430%0.3CS..Hα-helixtrans-68-40.2176.8-65.7-60.417000112.2L24 R74 W77 E101 R103 R108 M109L24-E105 HydrophobicContact CD2-CG 4.25Å; R74-E105 VanDerWaalsContact CD-CD 3.41Å; R74-E105 VanDerWaalsContact CD-OE1 3.26Å; R74-E105 WeakPolarHBondContact CD-OE1 3.31Å; R74-E105 IonicContact CZ-OE1 2.95Å; R74-E105 IonicContact NE-OE1 3.95Å; R74-E105 IonicContact NH1-OE1 2.69Å; R74-E105 PolarHBondContact NH1-OE1 3.37Å; W77-E105 HydrophobicContact CH2-CB 4.47Å; W77-E105 HydrophobicContact CZ3-CB 4.12Å; E101-E105 PolarHBondContact O-N 3.41Å; R103-E105 VanDerWaalsContact C-N 3.33Å; R103-E105 PolarHBondContact O-N 2.97Å; E105-R108 PolarHBondContact O-N 3.17Å; E105-R108 IonicContact OE1-NH1 3.74Å; E105-R108 PolarHBondContact OE1-NH1 3.39Å; E105-R108 IonicContact OE2-CZ 3.68Å; E105-R108 IonicContact OE2-NH1 3.6Å; E105-R108 PolarHBondContact OE2-NH1 2.94Å; E105-M109 VanDerWaalsContact O-CG 3.27Å; E105-M109 WeakPolarHBondContact O-CG 3.48Å; E105-M109 PolarHBondContact O-N 3.12Å
106L95.7Very high95Very high0 Ų067.2 Ų67.20%032%0.318CS..Hα-helixtrans-57.4-53.3173.3176.361000110.6F89 A102 R103 R108 M109 L110 L120 L142 L144F89-L106 HydrophobicContact CB-CD1 4.08Å; F89-L106 HydrophobicContact CD1-CB 4.33Å; F89-L106 HydrophobicContact CD1-CD1 4.21Å; F89-L106 HydrophobicContact CD1-CD2 4.34Å; F89-L106 HydrophobicContact CD2-CB 4.37Å; F89-L106 HydrophobicContact CD2-CD1 3.85Å; F89-L106 HydrophobicContact CE1-CB 3.96Å; F89-L106 HydrophobicContact CE2-CB 4.01Å; F89-L106 HydrophobicContact CE2-CD1 4.33Å; F89-L106 HydrophobicContact CG-CD1 3.79Å; F89-L106 HydrophobicContact CZ-CB 3.8Å; A102-L106 WeakPolarHBondContact O-CB 3.13Å; A102-L106 PolarHBondContact O-N 2.9Å; R103-L106 PolarHBondContact O-N 3.01Å; L106-R108 VanDerWaalsContact C-N 3.32Å; L106-R108 PolarHBondContact O-N 2.95Å; L106-M109 WeakPolarHBondContact O-CB 2.98Å; L106-M109 PolarHBondContact O-N 3.41Å; L106-L110 HydrophobicContact CD1-CD1 3.82Å; L106-L110 HydrophobicContact CD1-CD2 4.2Å; L106-L110 HydrophobicContact CD1-CG 3.92Å; L106-L110 HydrophobicContact CG-CD1 3.9Å; L106-L110 HydrophobicContact CG-CG 4.32Å; L106-L110 VanDerWaalsContact O-CG 3.26Å; L106-L110 WeakPolarHBondContact O-CG 3.49Å; L106-L110 PolarHBondContact O-N 3.38Å; L106-L120 HydrophobicContact CD1-CD1 4.07Å; L106-L120 HydrophobicContact CD1-CD2 4.29Å; L106-L142 HydrophobicContact CD2-CB 4.48Å; L106-L144 HydrophobicContact CD2-CD2 3.81Å
107L95.7Very high94.8Very high61 Ų6169 Ų6932%0.31934%0.336SS..Hα-helixtrans-63.5-38.1-178.3-67.5178.9000112.2R103 E104 L110 A111 L147R103-L107 HydrophobicContact CG-CD1 3.86Å; R103-L107 HydrophobicContact CG-CG 4.24Å; R103-L107 WeakPolarHBondContact O-CG 3.36Å; R103-L107 PolarHBondContact O-N 3.02Å; E104-L107 PolarHBondContact O-N 3.16Å; L107-L110 PolarHBondContact O-N 3.38Å; L107-A111 PolarHBondContact O-N 3.46Å; L107-A111 VanDerWaalsContact O-N 3.16Å; L107-L147 HydrophobicContact CD2-CD2 4.32Å
108R93.6Very high94.7Very high148 Ų14860.4 Ų60.456%0.55830%0.296SS*.Hα-helixtrans-59-47173.5-179.2-175.2-78.2155.7-5.5110.9E104 E105 L106 A111E104-R108 VanDerWaalsContact O-CB 3.3Å; E104-R108 WeakPolarHBondContact O-CB 3.44Å; E104-R108 PolarHBondContact O-N 2.89Å; E105-R108 PolarHBondContact O-N 3.17Å; E105-R108 IonicContact OE1-NH1 3.74Å; E105-R108 PolarHBondContact OE1-NH1 3.39Å; E105-R108 IonicContact OE2-CZ 3.68Å; E105-R108 IonicContact OE2-NH1 3.6Å; E105-R108 PolarHBondContact OE2-NH1 2.94Å; L106-R108 VanDerWaalsContact C-N 3.32Å; L106-R108 PolarHBondContact O-N 2.95Å; R108-A111 WeakPolarHBondContact O-CB 3.47Å; R108-A111 PolarHBondContact O-N 3.35Å
109M91.9Very high94.7Very high5 Ų557.2 Ų57.23%0.02528%0.284CS..Hα-helixtrans-63.6-44.3177.6-70.7-176.167.300112.5L20 V22 W77 F81 L87 F89 E105 L106 A111 E112 L115L20-M109 HydrophobicContact CD2-CE 4.15Å; V22-M109 HydrophobicContact CB-CE 4.32Å; V22-M109 HydrophobicContact CB-SD 4.38Å; V22-M109 HydrophobicContact CG1-CE 4.28Å; V22-M109 HydrophobicContact CG2-CE 3.44Å; V22-M109 VanDerWaalsContact CG2-CE 3.44Å; V22-M109 HydrophobicContact CG2-SD 3.54Å; V22-M109 VanDerWaalsContact CG2-SD 3.54Å; W77-M109 HydrophobicContact CD2-SD 4.38Å; W77-M109 HydrophobicContact CE3-CE 4.26Å; W77-M109 HydrophobicContact CE3-CG 3.92Å; W77-M109 HydrophobicContact CE3-SD 3.32Å; W77-M109 HydrophobicContact CZ3-CG 4.21Å; W77-M109 HydrophobicContact CZ3-SD 3.48Å; W77-M109 WeakPolarHBondContact CZ3-SD 3.35Å; F81-M109 HydrophobicContact CD1-CE 4.49Å; F81-M109 HydrophobicContact CE1-CE 3.51Å; F81-M109 HydrophobicContact CZ-CE 3.86Å; F81-M109 HydrophobicContact CZ-CG 4.14Å; L87-M109 HydrophobicContact CD1-CE 3.86Å; L87-M109 HydrophobicContact CD2-CE 4.41Å; F89-M109 HydrophobicContact CE2-SD 4.41Å; E105-M109 VanDerWaalsContact O-CG 3.27Å; E105-M109 WeakPolarHBondContact O-CG 3.48Å; E105-M109 PolarHBondContact O-N 3.12Å; L106-M109 WeakPolarHBondContact O-CB 2.98Å; L106-M109 PolarHBondContact O-N 3.41Å; M109-A111 PolarHBondContact O-N 3.19Å; M109-E112 WeakPolarHBondContact O-CB 3.43Å; M109-E112 PolarHBondContact O-N 2.82Å; M109-E112 VanDerWaalsContact O-N 3.12Å; M109-L115 HydrophobicContact CB-CD1 4.24Å; M109-L115 HydrophobicContact CE-CD1 4.04Å; M109-L115 WeakPolarHBondContact O-CD1 3.21Å
110L94.6Very high94.8Very high20 Ų2057 Ų5711%0.10528%0.283CS..Hα-helixtrans-69.3-13.1-178-60.4178.6000113.3L87 L106 L107 L120 L147 R150L87-L110 HydrophobicContact CD2-CD2 3.67Å; L106-L110 HydrophobicContact CD1-CD1 3.82Å; L106-L110 HydrophobicContact CD1-CD2 4.2Å; L106-L110 HydrophobicContact CD1-CG 3.92Å; L106-L110 HydrophobicContact CG-CD1 3.9Å; L106-L110 HydrophobicContact CG-CG 4.32Å; L106-L110 VanDerWaalsContact O-CG 3.26Å; L106-L110 WeakPolarHBondContact O-CG 3.49Å; L106-L110 PolarHBondContact O-N 3.38Å; L107-L110 PolarHBondContact O-N 3.38Å; L110-L120 HydrophobicContact CD1-CD2 4.03Å; L110-L120 HydrophobicContact CD2-CD2 4.41Å; L110-L147 HydrophobicContact CD1-CD1 3.67Å; L110-L147 HydrophobicContact CD1-CD2 3.74Å; L110-L147 HydrophobicContact CD1-CG 4.38Å; L110-R150 VanDerWaalsContact CD2-CZ 3.45Å; L110-R150 PolarHBondContact O-NH2 2.8Å
111A94.6Very high94.9Very high78 Ų7854.8 Ų54.865%0.64526%0.264SS*.THydrogen-bonded Turntrans-82.4-11174.100000113.6L107 R108 M109L107-A111 PolarHBondContact O-N 3.46Å; L107-A111 VanDerWaalsContact O-N 3.16Å; R108-A111 WeakPolarHBondContact O-CB 3.47Å; R108-A111 PolarHBondContact O-N 3.35Å; M109-A111 PolarHBondContact O-N 3.19Å
112E94.8Very high95.1Very high74 Ų7452.6 Ų52.635%0.34625%0.254SS..SBendtrans-78.3132.3-179.8-60.3-80.2173.800110.2F81 M109 E114 L115 R116F81-E112 HydrophobicContact CD2-CB 3.86Å; F81-E112 HydrophobicContact CD2-CG 3.95Å; F81-E112 HydrophobicContact CE2-CB 4.07Å; F81-E112 HydrophobicContact CE2-CG 3.64Å; M109-E112 WeakPolarHBondContact O-CB 3.43Å; M109-E112 PolarHBondContact O-N 2.82Å; M109-E112 VanDerWaalsContact O-N 3.12Å; E112-E114 VanDerWaalsContact C-N 3.26Å; E112-E114 PolarHBondContact O-N 2.76Å; E112-L115 PolarHBondContact O-N 3.44Å; E112-R116 PolarHBondContact O-N 2.68Å
113D94.3Very high95.2Very high108 Ų10852.4 Ų52.458%0.57825%0.253SS*.G310 helixtrans-62.4-34.8-172.8-82.9-23000112.2L115 R116D113-L115 PolarHBondContact O-N 2.87Å; D113-R116 VanDerWaalsContact CG-NH2 3.3Å; D113-R116 WeakPolarHBondContact O-CB 3.23Å; D113-R116 PolarHBondContact O-N 3.32Å; D113-R116 VanDerWaalsContact O-N 3.11Å; D113-R116 IonicContact OD1-CZ 3.3Å; D113-R116 IonicContact OD1-NE 2.59Å; D113-R116 IonicContact OD1-NH2 3.66Å; D113-R116 PolarHBondContact OD1-NH2 3.46Å; D113-R116 IonicContact OD2-NH2 3.13Å
114E94.9Very high95.3Very high89 Ų8948.1 Ų48.142%0.41624%0.237SC..G310 helixtrans-64.5-21.4177.4-62.794.8145.400113.2F81 Q82 E112F81-E114 HydrophobicContact CB-CB 3.63Å; F81-E114 HydrophobicContact CB-CG 4.46Å; Q82-E114 HydrophobicContact CG-CG 4.1Å; E112-E114 VanDerWaalsContact C-N 3.26Å; E112-E114 PolarHBondContact O-N 2.76Å
115L94.3Very high95.4Very high0 Ų042.9 Ų42.90%021%0.212CC..G310 helixtrans-102.15176.9-66.5-176.4000112.9F81 T84 L87 M109 E112 D113 D117 A118 R150F81-L115 HydrophobicContact CB-CD1 4.44Å; F81-L115 HydrophobicContact CB-CD2 3.93Å; F81-L115 HydrophobicContact CB-CG 3.85Å; F81-L115 HydrophobicContact CD1-CD1 3.67Å; F81-L115 HydrophobicContact CD1-CD2 4.14Å; F81-L115 HydrophobicContact CD1-CG 4.01Å; F81-L115 HydrophobicContact CD2-CD1 4.14Å; F81-L115 HydrophobicContact CD2-CG 4.24Å; F81-L115 HydrophobicContact CE1-CD1 3.87Å; F81-L115 HydrophobicContact CE2-CD1 4.33Å; F81-L115 HydrophobicContact CG-CD1 3.82Å; F81-L115 HydrophobicContact CG-CD2 4.15Å; F81-L115 HydrophobicContact CG-CG 3.77Å; F81-L115 HydrophobicContact CZ-CD1 4.2Å; T84-L115 HydrophobicContact CG2-CD2 3.85Å; L87-L115 HydrophobicContact CD2-CD1 4.46Å; M109-L115 HydrophobicContact CB-CD1 4.24Å; M109-L115 HydrophobicContact CE-CD1 4.04Å; M109-L115 WeakPolarHBondContact O-CD1 3.21Å; E112-L115 PolarHBondContact O-N 3.44Å; D113-L115 PolarHBondContact O-N 2.87Å; L115-D117 VanDerWaalsContact C-N 3.28Å; L115-D117 PolarHBondContact O-N 3.28Å; L115-A118 HydrophobicContact CB-CB 4.44Å; L115-A118 HydrophobicContact CD2-CB 4.21Å; L115-A118 WeakPolarHBondContact O-CB 3.26Å; L115-A118 PolarHBondContact O-N 3.45Å; L115-A118 VanDerWaalsContact O-N 3.11Å; L115-R150 PolarHBondContact O-NH1 3.24Å; L115-R150 PolarHBondContact O-NH2 2.95Å
116R93.8Very high95.7Very high146 Ų14644.3 Ų44.355%0.55122%0.218SC*.THydrogen-bonded Turntrans-51.9-45.6-174.4-175.9-177.5-63.8176.20.4113E112 D113E112-R116 PolarHBondContact O-N 2.68Å; D113-R116 VanDerWaalsContact CG-NH2 3.3Å; D113-R116 WeakPolarHBondContact O-CB 3.23Å; D113-R116 PolarHBondContact O-N 3.32Å; D113-R116 VanDerWaalsContact O-N 3.11Å; D113-R116 IonicContact OD1-CZ 3.3Å; D113-R116 IonicContact OD1-NE 2.59Å; D113-R116 IonicContact OD1-NH2 3.66Å; D113-R116 PolarHBondContact OD1-NH2 3.46Å; D113-R116 IonicContact OD2-NH2 3.13Å
117D92.8Very high95.8Very high144 Ų14447 Ų4777%0.7723%0.231SC*.THydrogen-bonded Turntrans-950.3-175.4-57.2-40000113.2L115 V119L115-D117 VanDerWaalsContact C-N 3.28Å; L115-D117 PolarHBondContact O-N 3.28Å; D117-V119 PolarHBondContact O-N 3.13Å
118A94.3Very high95.9Very high2 Ų248.6 Ų48.62%0.01724%0.24CC..PPolyproline II helixtrans-70.7128.2-177.900000111.7Q85 L115 R150Q85-A118 WeakPolarHBondContact O-CA 3.34Å; L115-A118 HydrophobicContact CB-CB 4.44Å; L115-A118 HydrophobicContact CD2-CB 4.21Å; L115-A118 WeakPolarHBondContact O-CB 3.26Å; L115-A118 PolarHBondContact O-N 3.45Å; L115-A118 VanDerWaalsContact O-N 3.11Å; A118-R150 PolarHBondContact O-NH1 3.2Å
119V96Very high96.1Very high4 Ų444.4 Ų44.42%0.02423%0.228CC..EExtended strand (participates in β ladder)trans-69.4131.5173.6-179.40000109.6Q85 G86 L87 D117 N151 W171 L172 Q175 L176Q85-V119 PolarHBondContact O-N 3.17Å; G86-V119 CarbonylContact C-O 3.58Å; G86-V119 WeakPolarHBondContact CA-O 3.49Å; L87-V119 PolarHBondContact N-O 3.2Å; D117-V119 PolarHBondContact O-N 3.13Å; V119-N151 HydrophobicContact CG1-CB 4.24Å; V119-W171 HydrophobicContact CG1-CH2 3.51Å; V119-W171 HydrophobicContact CG1-CZ2 4.5Å; V119-W171 HydrophobicContact CG1-CZ3 3.7Å; V119-L172 HydrophobicContact CB-CD1 4.01Å; V119-L172 HydrophobicContact CG1-CD1 3.72Å; V119-Q175 HydrophobicContact CG1-CB 3.85Å; V119-Q175 HydrophobicContact CG1-CG 4.13Å; V119-Q175 HydrophobicContact CG2-CB 4.23Å; V119-L176 HydrophobicContact CB-CD2 4.24Å; V119-L176 HydrophobicContact CG2-CD2 3.91Å
120L97.8Very high96.2Very high0 Ų050 Ų500%026%0.264CS..EExtended strand (participates in β ladder)trans-99.1125.5-177.9173.364000111.8L87 F89 L106 L110 V122 L147 N151 W152 Y153 W171L87-L120 HydrophobicContact CB-CD1 4.46Å; L87-L120 HydrophobicContact CD2-CD1 3.99Å; L87-L120 HydrophobicContact CG-CD1 4.08Å; L87-L120 CarbonylContact O-C 3.57Å; L87-L120 WeakPolarHBondContact O-CA 3.5Å; F89-L120 HydrophobicContact CB-CD1 4.07Å; L106-L120 HydrophobicContact CD1-CD1 4.07Å; L106-L120 HydrophobicContact CD1-CD2 4.29Å; L110-L120 HydrophobicContact CD1-CD2 4.03Å; L110-L120 HydrophobicContact CD2-CD2 4.41Å; L120-V122 HydrophobicContact CD1-CG2 4.12Å; L120-V122 HydrophobicContact CD2-CG2 4.18Å; L120-V122 HydrophobicContact CG-CG2 4.06Å; L120-L147 HydrophobicContact CD2-CD1 3.68Å; L120-N151 PolarHBondContact N-O 3.4Å; L120-W152 HydrophobicContact CB-CB 3.92Å; L120-W152 HydrophobicContact CD2-CB 4.02Å; L120-W152 HydrophobicContact CG-CB 4.14Å; L120-W152 CarbonylContact O-C 3.55Å; L120-W152 WeakPolarHBondContact O-CA 3.25Å; L120-Y153 PolarHBondContact O-N 3.13Å; L120-W171 WeakPolarHBondContact O-CH2 3.48Å; L120-W171 WeakPolarHBondContact O-CZ3 3.45Å
121L97.8Very high96.2Very high0 Ų054.1 Ų54.10%029%0.287CS..EExtended strand (participates in β ladder)trans-113.8124.2164.3174.564.2000108.7L87 I88 F89 F123 Y153 Q155 G168 L169 W171 L172L87-L121 PolarHBondContact O-N 2.92Å; I88-L121 CarbonylContact C-O 3.56Å; I88-L121 VanDerWaalsContact CA-O 3.25Å; I88-L121 WeakPolarHBondContact CA-O 3.37Å; I88-L121 HydrophobicContact CD1-CD2 4.39Å; I88-L121 HydrophobicContact CG1-CB 4.32Å; I88-L121 HydrophobicContact CG1-CD2 4.2Å; F89-L121 PolarHBondContact N-O 3.12Å; L121-F123 HydrophobicContact CD2-CD1 4.42Å; L121-F123 HydrophobicContact CD2-CE1 3.82Å; L121-F123 HydrophobicContact CD2-CE2 4.11Å; L121-F123 HydrophobicContact CD2-CZ 3.64Å; L121-F123 HydrophobicContact CG-CD1 4.48Å; L121-F123 HydrophobicContact CG-CE1 4.32Å; L121-Y153 CarbonylContact C-O 3.58Å; L121-Y153 WeakPolarHBondContact CA-O 3.3Å; L121-Y153 HydrophobicContact CD1-CD1 3.77Å; L121-Q155 HydrophobicContact CD1-CB 4.31Å; L121-G168 WeakPolarHBondContact CD2-O 3.25Å; L121-L169 HydrophobicContact CD2-CD2 4.41Å; L121-W171 HydrophobicContact CB-CE3 4.5Å; L121-W171 HydrophobicContact CB-CZ3 4.18Å; L121-W171 HydrophobicContact CD1-CE3 4.1Å; L121-W171 HydrophobicContact CD1-CZ3 4.42Å; L121-L172 HydrophobicContact CB-CD1 4.49Å; L121-L172 HydrophobicContact CB-CD2 4.21Å; L121-L172 HydrophobicContact CD2-CB 4.23Å; L121-L172 HydrophobicContact CD2-CD2 4.08Å
122V98.6Very high96.4Very high0 Ų051.4 Ų51.40%026%0.264CS..EExtended strand (participates in β ladder)trans-99.8123.4172.1-178.40000108.9F89 V91 L120 L142 L144 Y153 I154 Q155F89-V122 CarbonylContact O-C 3.44Å; F89-V122 VanDerWaalsContact O-CA 3.31Å; F89-V122 WeakPolarHBondContact O-CA 3.46Å; V91-V122 HydrophobicContact CG2-CG1 4.11Å; L120-V122 HydrophobicContact CD1-CG2 4.12Å; L120-V122 HydrophobicContact CD2-CG2 4.18Å; L120-V122 HydrophobicContact CG-CG2 4.06Å; V122-L142 HydrophobicContact CG1-CD1 3.94Å; V122-L144 HydrophobicContact CG2-CD1 4.06Å; V122-L144 HydrophobicContact CG2-CD2 4.26Å; V122-Y153 PolarHBondContact N-O 3.04Å; V122-I154 HydrophobicContact CB-CB 4.16Å; V122-I154 HydrophobicContact CB-CD1 4.33Å; V122-I154 HydrophobicContact CB-CG1 3.98Å; V122-I154 HydrophobicContact CG1-CD1 3.95Å; V122-I154 HydrophobicContact CG1-CG1 4.01Å; V122-I154 CarbonylContact O-C 3.55Å; V122-I154 WeakPolarHBondContact O-CA 3.49Å; V122-Q155 PolarHBondContact O-N 3.02Å
123F98.4Very high96.6Very high0 Ų047.9 Ų47.90%025%0.248CC..EExtended strand (participates in β ladder)trans-94.3110.8167.2-77.5-40.6000109.8I32 I88 F89 V90 V91 L121 N125 Q155 T157 L165 L169I32-F123 HydrophobicContact CD1-CD2 3.95Å; I32-F123 HydrophobicContact CG2-CE2 4.43Å; I88-F123 HydrophobicContact CD1-CE2 4.41Å; I88-F123 HydrophobicContact CG2-CD2 3.37Å; I88-F123 HydrophobicContact CG2-CE2 3.63Å; I88-F123 HydrophobicContact CG2-CG 4.26Å; F89-F123 PolarHBondContact O-N 2.88Å; V90-F123 HydrophobicContact CG1-CB 4.42Å; V90-F123 HydrophobicContact CG2-CB 4.47Å; V90-F123 HydrophobicContact CG2-CD2 4.4Å; V91-F123 PolarHBondContact N-O 2.83Å; L121-F123 HydrophobicContact CD2-CD1 4.42Å; L121-F123 HydrophobicContact CD2-CE1 3.82Å; L121-F123 HydrophobicContact CD2-CE2 4.11Å; L121-F123 HydrophobicContact CD2-CZ 3.64Å; L121-F123 HydrophobicContact CG-CD1 4.48Å; L121-F123 HydrophobicContact CG-CE1 4.32Å; F123-N125 VanDerWaalsContact C-N 3.3Å; F123-N125 PolarHBondContact O-N 3.15Å; F123-N125 VanDerWaalsContact O-N 3.12Å; F123-Q155 HydrophobicContact CD1-CB 4Å; F123-Q155 HydrophobicContact CD1-CG 4.36Å; F123-Q155 HydrophobicContact CE1-CB 4.13Å; F123-Q155 HydrophobicContact CE1-CG 4.2Å; F123-T157 HydrophobicContact CB-CG2 4.42Å; F123-T157 HydrophobicContact CD1-CG2 3.29Å; F123-T157 HydrophobicContact CE1-CG2 3.65Å; F123-T157 HydrophobicContact CG-CG2 4.04Å; F123-L165 HydrophobicContact CE1-CD2 4.5Å; F123-L165 HydrophobicContact CE2-CD2 4.34Å; F123-L165 HydrophobicContact CZ-CD2 4.27Å; F123-L169 HydrophobicContact CZ-CD2 4.29Å; F123-L169 HydrophobicContact CZ-CG 4.36Å
124A98.7Very high96.8Very high0 Ų046.8 Ų46.80%024%0.242CC..EExtended strand (participates in β ladder)trans-79.28216700000108.3S93 Q127 L138 I154 Q155 T157S93-A124 PolarHBondContact OG-O 3.28Å; A124-Q127 WeakPolarHBondContact O-CG 3.43Å; A124-Q127 PolarHBondContact O-NE2 2.9Å; A124-L138 HydrophobicContact CB-CD1 3.42Å; A124-L138 VanDerWaalsContact CB-CD1 3.42Å; A124-I154 HydrophobicContact CB-CD1 4.28Å; A124-I154 HydrophobicContact CB-CG1 4.26Å; A124-Q155 PolarHBondContact N-O 2.91Å; A124-T157 PolarHBondContact O-N 3.19Å
125N98.4Very high96.9Very high3 Ų343.9 Ų43.92%0.01623%0.233CC..EExtended strand (participates in β ladder)trans-86.7162-170.6-17235.6000112.4A27 V90 V91 S93 F123 T157 A159A27-N125 PolarHBondContact O-ND2 3.02Å; V90-N125 HydrophobicContact CG1-CB 3.93Å; V91-N125 PolarHBondContact O-N 3.39Å; S93-N125 WeakPolarHBondContact CB-O 3.33Å; S93-N125 PolarHBondContact N-O 2.65Å; S93-N125 PolarHBondContact OG-N 3.36Å; S93-N125 PolarHBondContact OG-O 3.39Å; F123-N125 VanDerWaalsContact C-N 3.3Å; F123-N125 PolarHBondContact O-N 3.15Å; F123-N125 VanDerWaalsContact O-N 3.12Å; N125-T157 CarbonylContact C-O 3.49Å; N125-T157 WeakPolarHBondContact CA-O 3.48Å; N125-T157 VanDerWaalsContact CA-OG1 3.31Å; N125-T157 WeakPolarHBondContact CA-OG1 3.26Å; N125-A159 WeakPolarHBondContact OD1-CB 3.41Å; N125-A159 PolarHBondContact OD1-N 2.81Å
126K98.3Very high97.1Very high49 Ų4946.9 Ų46.921%0.21326%0.258CS..  trans68.836.3-177.7-44.3-165.6-166.7173.20114.3A26 D92 D128 L129 A132 T157A26-K126 WeakPolarHBondContact O-CE 3.48Å; A26-K126 PolarHBondContact O-NZ 3.16Å; D92-K126 WeakPolarHBondContact OD1-CD 3.09Å; D92-K126 IonicContact OD1-NZ 3.9Å; D92-K126 VanDerWaalsContact OD2-CE 3.26Å; D92-K126 WeakPolarHBondContact OD2-CE 3.39Å; D92-K126 IonicContact OD2-NZ 3.97Å; D92-K126 PolarHBondContact OD2-NZ 2.94Å; K126-D128 VanDerWaalsContact CA-OD1 3.32Å; K126-D128 WeakPolarHBondContact CA-OD1 3.29Å; K126-D128 PolarHBondContact O-N 3.28Å; K126-L129 HydrophobicContact CB-CD1 3.89Å; K126-L129 HydrophobicContact CB-CG 4.24Å; K126-L129 HydrophobicContact CD-CD1 4.01Å; K126-L129 PolarHBondContact O-N 3.41Å; K126-A132 WeakPolarHBondContact O-CB 3.32Å; K126-T157 PolarHBondContact N-O 2.99Å; K126-T157 VanDerWaalsContact N-O 3.13Å
127Q98.6Very high97.3Very high57 Ų5742.3 Ų42.327%0.26624%0.243SC..THydrogen-bonded Turntrans-67.5-10.3177.3-66.1-71.9-52.900113.5S93 A124 L129 M133 A156 T157S93-Q127 PolarHBondContact OG-NE2 3.48Å; A124-Q127 WeakPolarHBondContact O-CG 3.43Å; A124-Q127 PolarHBondContact O-NE2 2.9Å; Q127-L129 PolarHBondContact O-N 3.44Å; Q127-M133 PolarHBondContact NE2-O 2.94Å; Q127-A156 HydrophobicContact CG-CB 4Å; Q127-T157 WeakPolarHBondContact CG-O 3.27Å; Q127-T157 PolarHBondContact N-O 3.17Å; Q127-T157 VanDerWaalsContact N-O 3.17Å
128D97.8Very high97.6Very high94 Ų9435.5 Ų35.550%0.50321%0.206SC..THydrogen-bonded Turntrans-71.6-14172.256.4-67.6000113.6K126 C158K126-D128 VanDerWaalsContact CA-OD1 3.32Å; K126-D128 WeakPolarHBondContact CA-OD1 3.29Å; K126-D128 PolarHBondContact O-N 3.28Å; D128-C158 VanDerWaalsContact CG-SG 3.56Å; D128-C158 PolarHBondContact OD1-SG 2.76Å
129L97.6Very high97.8Very high60 Ų6035.9 Ų35.931%0.31421%0.208SC..SBendtrans-87.2141.9-177.6-60.9-179.5000112.3N94 K126 Q127 N131 A132N94-L129 HydrophobicContact CB-CB 4Å; N94-L129 HydrophobicContact CB-CD1 3.53Å; N94-L129 HydrophobicContact CB-CG 4.4Å; K126-L129 HydrophobicContact CB-CD1 3.89Å; K126-L129 HydrophobicContact CB-CG 4.24Å; K126-L129 HydrophobicContact CD-CD1 4.01Å; K126-L129 PolarHBondContact O-N 3.41Å; Q127-L129 PolarHBondContact O-N 3.44Å; L129-N131 PolarHBondContact O-N 3.3Å; L129-N131 VanDerWaalsContact O-N 3.1Å; L129-A132 VanDerWaalsContact O-CB 3.29Å; L129-A132 WeakPolarHBondContact O-CB 3.37Å; L129-A132 PolarHBondContact O-N 3.48Å; L129-A132 VanDerWaalsContact O-N 3.13Å
130P93.8Very high97.9Very high121 Ų12140.9 Ų40.979%0.78624%0.235SC*.THydrogen-bonded Turntrans-65.7-20-168.624.8-35.4000115.2
131N95.1Very high97.9Very high108 Ų10844.1 Ų44.158%0.57825%0.249SC*.THydrogen-bonded Turntrans-112.414.3-179.6-64.1-46.6000112.9N94 R96 L129 M133N94-N131 WeakPolarHBondContact OD1-CB 3.42Å; R96-N131 PolarHBondContact NE-O 2.94Å; R96-N131 PolarHBondContact NH2-O 3.46Å; L129-N131 PolarHBondContact O-N 3.3Å; L129-N131 VanDerWaalsContact O-N 3.1Å; N131-M133 PolarHBondContact O-N 3.28Å
132A98.2Very high97.9Very high21 Ų2144.1 Ų44.117%0.17425%0.249CC..PPolyproline II helixtrans-59129.1179.600000111.3S93 K126 L129 N134S93-A132 CarbonylContact O-C 3.59Å; S93-A132 WeakPolarHBondContact O-CA 3.2Å; K126-A132 WeakPolarHBondContact O-CB 3.32Å; L129-A132 VanDerWaalsContact O-CB 3.29Å; L129-A132 WeakPolarHBondContact O-CB 3.37Å; L129-A132 PolarHBondContact O-N 3.48Å; L129-A132 VanDerWaalsContact O-N 3.13Å; A132-N134 PolarHBondContact O-N 2.9Å
133M98.6Very high97.8Very high0 Ų047.5 Ų47.50%027%0.267CS..PPolyproline II helixtrans-63.1123.9167.4-62.8176-78.600108.4S93 R96 C99 Q127 N131 E137 L138 K141S93-M133 WeakPolarHBondContact CB-O 3.3Å; S93-M133 WeakPolarHBondContact O-CB 3.43Å; S93-M133 WeakPolarHBondContact O-CE 3.31Å; S93-M133 WeakPolarHBondContact O-CG 3.15Å; S93-M133 PolarHBondContact O-N 3.43Å; R96-M133 HydrophobicContact CG-CE 4.09Å; R96-M133 HydrophobicContact CG-CG 3.88Å; R96-M133 HydrophobicContact CG-SD 3.89Å; C99-M133 HydrophobicContact CB-CE 4Å; C99-M133 HydrophobicContact CB-SD 4.33Å; Q127-M133 PolarHBondContact NE2-O 2.94Å; N131-M133 PolarHBondContact O-N 3.28Å; M133-E137 WeakPolarHBondContact CA-OE2 3.32Å; M133-E137 HydrophobicContact CB-CB 4.29Å; M133-E137 HydrophobicContact CB-CG 4.25Å; M133-E137 HydrophobicContact CG-CG 4.3Å; M133-L138 HydrophobicContact CB-CD1 4.42Å; M133-L138 HydrophobicContact CB-CD2 4.18Å; M133-L138 HydrophobicContact CB-CG 3.83Å; M133-L138 HydrophobicContact CE-CD2 3.76Å; M133-L138 HydrophobicContact SD-CD2 3.98Å; M133-K141 HydrophobicContact SD-CD 3.57Å; M133-K141 VanDerWaalsContact SD-CD 3.57Å; M133-K141 PolarHBondContact SD-NZ 3.31Å
134N98.2Very high97.8Very high85 Ų8547.5 Ų47.546%0.45527%0.267SS..PPolyproline II helixtrans-70.5171.4175.668.137.5000111A132 A136 E137 L138A132-N134 PolarHBondContact O-N 2.9Å; N134-A136 VanDerWaalsContact C-N 3.27Å; N134-A136 PolarHBondContact O-N 3.47Å; N134-A136 WeakPolarHBondContact OD1-CB 3.34Å; N134-A136 PolarHBondContact OD1-N 3.29Å; N134-A136 VanDerWaalsContact OD1-N 3.08Å; N134-E137 PolarHBondContact O-N 2.69Å; N134-E137 PolarHBondContact OD1-N 3.46Å; N134-L138 PolarHBondContact O-N 3.01Å
135A97.7Very high97.7Very high27 Ų2753 Ų5322%0.22329%0.293CS..Hα-helixtrans-58.9-35.2-178.200000113.5T139 I154A135-T139 WeakPolarHBondContact O-CB 3.39Å; A135-T139 PolarHBondContact O-N 3.36Å; A135-T139 PolarHBondContact O-OG1 2.92Å; A135-I154 HydrophobicContact CB-CD1 4.41Å; A135-I154 HydrophobicContact CB-CG1 4.32Å; A135-I154 HydrophobicContact CB-CG2 4.32Å
136A98.2Very high97.5Very high63 Ų6355.5 Ų55.552%0.52131%0.31SS..Hα-helixtrans-66.7-48.8177.200000111.2N134 L138 T139 D140N134-A136 VanDerWaalsContact C-N 3.27Å; N134-A136 PolarHBondContact O-N 3.47Å; N134-A136 WeakPolarHBondContact OD1-CB 3.34Å; N134-A136 PolarHBondContact OD1-N 3.29Å; N134-A136 VanDerWaalsContact OD1-N 3.08Å; A136-L138 VanDerWaalsContact C-N 3.3Å; A136-L138 PolarHBondContact O-N 2.8Å; A136-T139 WeakPolarHBondContact O-CB 3.39Å; A136-T139 PolarHBondContact O-N 3.41Å; A136-T139 VanDerWaalsContact O-N 3.07Å; A136-D140 PolarHBondContact O-N 2.7Å
137E98.4Very high97.4Very high51 Ų5154.4 Ų54.424%0.23831%0.306CS..Hα-helixtrans-59.4-41.1177.6-173.3-177.7171.700111.7R96 M133 N134 D140 K141R96-E137 IonicContact CZ-OE1 2.78Å; R96-E137 IonicContact CZ-OE2 3.15Å; R96-E137 IonicContact NH1-OE1 3.21Å; R96-E137 PolarHBondContact NH1-OE1 3.18Å; R96-E137 IonicContact NH1-OE2 3.78Å; R96-E137 PolarHBondContact NH1-OE2 2.92Å; R96-E137 IonicContact NH2-OE1 2.77Å; R96-E137 IonicContact NH2-OE2 3.08Å; R96-E137 PolarHBondContact NH2-OE2 3.35Å; M133-E137 WeakPolarHBondContact CA-OE2 3.32Å; M133-E137 HydrophobicContact CB-CB 4.29Å; M133-E137 HydrophobicContact CB-CG 4.25Å; M133-E137 HydrophobicContact CG-CG 4.3Å; N134-E137 PolarHBondContact O-N 2.69Å; N134-E137 PolarHBondContact OD1-N 3.46Å; E137-D140 PolarHBondContact O-N 3.3Å; E137-K141 HydrophobicContact CG-CD 4.28Å; E137-K141 WeakPolarHBondContact O-CB 3Å; E137-K141 WeakPolarHBondContact O-CG 3.13Å; E137-K141 PolarHBondContact O-N 2.8Å; E137-K141 WeakPolarHBondContact OE1-CE 3.25Å; E137-K141 IonicContact OE1-NZ 2.92Å; E137-K141 PolarHBondContact OE1-NZ 3.18Å
138L98.4Very high97Very high0 Ų062.5 Ų62.50%033%0.334CS..Hα-helixtrans-68.5-33.8176-81176.3000112.9V91 A124 M133 N134 A136 D140 K141 L142 I154V91-L138 HydrophobicContact CG1-CD1 4.29Å; V91-L138 HydrophobicContact CG1-CD2 3.85Å; A124-L138 HydrophobicContact CB-CD1 3.42Å; A124-L138 VanDerWaalsContact CB-CD1 3.42Å; M133-L138 HydrophobicContact CB-CD1 4.42Å; M133-L138 HydrophobicContact CB-CD2 4.18Å; M133-L138 HydrophobicContact CB-CG 3.83Å; M133-L138 HydrophobicContact CE-CD2 3.76Å; M133-L138 HydrophobicContact SD-CD2 3.98Å; N134-L138 PolarHBondContact O-N 3.01Å; A136-L138 VanDerWaalsContact C-N 3.3Å; A136-L138 PolarHBondContact O-N 2.8Å; L138-D140 VanDerWaalsContact C-N 3.29Å; L138-D140 PolarHBondContact O-N 3.46Å; L138-K141 PolarHBondContact O-N 3.35Å; L138-L142 HydrophobicContact CB-CD1 4.41Å; L138-L142 VanDerWaalsContact O-CB 3.23Å; L138-L142 WeakPolarHBondContact O-CB 3.45Å; L138-L142 WeakPolarHBondContact O-CG 3.17Å; L138-L142 PolarHBondContact O-N 2.97Å; L138-I154 HydrophobicContact CB-CD1 3.83Å
139T98.5Very high96.6Very high11 Ų1165.9 Ų65.97%0.06735%0.352CS..Hα-helixtrans-59.6-44.6175.8-59.10000110.5A135 A136 N143 L144 H145 W152A135-T139 WeakPolarHBondContact O-CB 3.39Å; A135-T139 PolarHBondContact O-N 3.36Å; A135-T139 PolarHBondContact O-OG1 2.92Å; A136-T139 WeakPolarHBondContact O-CB 3.39Å; A136-T139 PolarHBondContact O-N 3.41Å; A136-T139 VanDerWaalsContact O-N 3.07Å; T139-N143 PolarHBondContact O-N 3.13Å; T139-L144 HydrophobicContact CG2-CB 4.01Å; T139-L144 HydrophobicContact CG2-CD1 4.37Å; T139-L144 PolarHBondContact O-N 3.04Å; T139-H145 VanDerWaalsContact CG2-NE2 3.33Å; T139-H145 WeakPolarHBondContact CG2-NE2 3.16Å; T139-W152 HydrophobicContact CG2-CH2 3.85Å; T139-W152 HydrophobicContact CG2-CZ3 4.31Å
140D98.2Very high96.5Very high108 Ų10864.4 Ų64.458%0.57834%0.343SS*.Hα-helixtrans-67.2-50.8176.6-68.7-32.7000111.5A136 E137 L138 L142 N143 H145A136-D140 PolarHBondContact O-N 2.7Å; E137-D140 PolarHBondContact O-N 3.3Å; L138-D140 VanDerWaalsContact C-N 3.29Å; L138-D140 PolarHBondContact O-N 3.46Å; D140-L142 PolarHBondContact O-N 2.92Å; D140-N143 PolarHBondContact O-N 2.96Å; D140-H145 IonicContact OD1-CD2 3.85Å; D140-H145 IonicContact OD1-NE2 3.81Å
141K98.1Very high96.6Very high68 Ų6862.4 Ų62.430%0.29633%0.325SS..Hα-helixtrans-64.8-35.9-176.2-76-174.5177.51790113.8C99 R103 M133 E137 L138 N143C99-K141 HydrophobicContact CB-CD 4.43Å; R103-K141 WeakPolarHBondContact CD-O 3.41Å; M133-K141 HydrophobicContact SD-CD 3.57Å; M133-K141 VanDerWaalsContact SD-CD 3.57Å; M133-K141 PolarHBondContact SD-NZ 3.31Å; E137-K141 HydrophobicContact CG-CD 4.28Å; E137-K141 WeakPolarHBondContact O-CB 3Å; E137-K141 WeakPolarHBondContact O-CG 3.13Å; E137-K141 PolarHBondContact O-N 2.8Å; E137-K141 WeakPolarHBondContact OE1-CE 3.25Å; E137-K141 IonicContact OE1-NZ 2.92Å; E137-K141 PolarHBondContact OE1-NZ 3.18Å; L138-K141 PolarHBondContact O-N 3.35Å; K141-N143 VanDerWaalsContact C-N 3.26Å
142L98.2Very high96.8Very high1 Ų160.8 Ų60.81%0.00531%0.311CS..THydrogen-bonded Turntrans-82.6-4.5175.5-60.4172.4000112.6V91 A102 R103 L106 V122 L138 D140 L144V91-L142 HydrophobicContact CG2-CD1 3.97Å; A102-L142 HydrophobicContact CB-CD2 4.37Å; R103-L142 HydrophobicContact CB-CD2 4.11Å; L106-L142 HydrophobicContact CD2-CB 4.48Å; V122-L142 HydrophobicContact CG1-CD1 3.94Å; L138-L142 HydrophobicContact CB-CD1 4.41Å; L138-L142 VanDerWaalsContact O-CB 3.23Å; L138-L142 WeakPolarHBondContact O-CB 3.45Å; L138-L142 WeakPolarHBondContact O-CG 3.17Å; L138-L142 PolarHBondContact O-N 2.97Å; D140-L142 PolarHBondContact O-N 2.92Å; L142-L144 VanDerWaalsContact C-N 3.29Å; L142-L144 HydrophobicContact CB-CD2 3.76Å; L142-L144 HydrophobicContact CB-CG 3.92Å; L142-L144 HydrophobicContact CD1-CD2 4.46Å; L142-L144 PolarHBondContact O-N 3.4Å
143N97.3Very high96.8Very high70 Ų7063.7 Ų63.737%0.37432%0.318SS..THydrogen-bonded Turntrans55.740-178.3-168.628.7000113.3T139 D140 K141 H145 S146T139-N143 PolarHBondContact O-N 3.13Å; D140-N143 PolarHBondContact O-N 2.96Å; K141-N143 VanDerWaalsContact C-N 3.26Å; N143-H145 PolarHBondContact O-N 3.1Å; N143-S146 WeakPolarHBondContact ND2-CB 3.33Å; N143-S146 PolarHBondContact ND2-OG 2.9Å; N143-S146 WeakPolarHBondContact O-CB 3.4Å; N143-S146 PolarHBondContact O-N 3.13Å; N143-S146 VanDerWaalsContact O-N 3.11Å; N143-S146 PolarHBondContact O-OG 3.34Å
144L97.6Very high96.8Very high0 Ų064.5 Ų64.50%032%0.323CS..G310 helixtrans-64.2-28.5-177.5-56.9-175.2000111.8L106 V122 T139 L142 S146 L147 W152 I154L106-L144 HydrophobicContact CD2-CD2 3.81Å; V122-L144 HydrophobicContact CG2-CD1 4.06Å; V122-L144 HydrophobicContact CG2-CD2 4.26Å; T139-L144 HydrophobicContact CG2-CB 4.01Å; T139-L144 HydrophobicContact CG2-CD1 4.37Å; T139-L144 PolarHBondContact O-N 3.04Å; L142-L144 VanDerWaalsContact C-N 3.29Å; L142-L144 HydrophobicContact CB-CD2 3.76Å; L142-L144 HydrophobicContact CB-CG 3.92Å; L142-L144 HydrophobicContact CD1-CD2 4.46Å; L142-L144 PolarHBondContact O-N 3.4Å; L144-S146 PolarHBondContact O-N 2.86Å; L144-S146 VanDerWaalsContact O-N 3.13Å; L144-L147 HydrophobicContact CD2-CD1 4.09Å; L144-L147 WeakPolarHBondContact O-CB 3.38Å; L144-L147 PolarHBondContact O-N 3.31Å; L144-W152 HydrophobicContact CB-CD2 4.23Å; L144-W152 HydrophobicContact CB-CE3 4.16Å; L144-W152 HydrophobicContact CB-CH2 4.02Å; L144-W152 HydrophobicContact CB-CZ2 4.06Å; L144-W152 HydrophobicContact CB-CZ3 4.06Å; L144-W152 HydrophobicContact CD1-CE3 3.98Å; L144-W152 HydrophobicContact CD1-CZ3 3.94Å; L144-W152 PolarHBondContact O-NE1 2.99Å; L144-I154 HydrophobicContact CD1-CB 4.29Å; L144-I154 HydrophobicContact CD1-CD1 4.17Å
145H95.9Very high96.8Very high117 Ų11761.9 Ų61.954%0.54231%0.307SS..G310 helixtrans-59-22.8175-65.7-54.8000114.3T139 D140 N143 L147T139-H145 VanDerWaalsContact CG2-NE2 3.33Å; T139-H145 WeakPolarHBondContact CG2-NE2 3.16Å; D140-H145 IonicContact OD1-CD2 3.85Å; D140-H145 IonicContact OD1-NE2 3.81Å; N143-H145 PolarHBondContact O-N 3.1Å; H145-L147 VanDerWaalsContact C-N 3.3Å
146S95.3Very high96.9Very high54 Ų5462.3 Ų62.338%0.37831%0.311SS..G310 helixtrans-76.1-15.9175.972.90000113.9N143 L144 R148N143-S146 WeakPolarHBondContact ND2-CB 3.33Å; N143-S146 PolarHBondContact ND2-OG 2.9Å; N143-S146 WeakPolarHBondContact O-CB 3.4Å; N143-S146 PolarHBondContact O-N 3.13Å; N143-S146 VanDerWaalsContact O-N 3.11Å; N143-S146 PolarHBondContact O-OG 3.34Å; L144-S146 PolarHBondContact O-N 2.86Å; L144-S146 VanDerWaalsContact O-N 3.13Å; S146-R148 VanDerWaalsContact C-N 3.27Å; S146-R148 PolarHBondContact O-N 3.28Å
147L94.8Very high96.9Very high26 Ų2659.4 Ų59.414%0.13629%0.287CS..  trans-79.669.1-176.4-56.6179.9000111.3L107 L110 L120 L144 H145 N149L107-L147 HydrophobicContact CD2-CD2 4.32Å; L110-L147 HydrophobicContact CD1-CD1 3.67Å; L110-L147 HydrophobicContact CD1-CD2 3.74Å; L110-L147 HydrophobicContact CD1-CG 4.38Å; L120-L147 HydrophobicContact CD2-CD1 3.68Å; L144-L147 HydrophobicContact CD2-CD1 4.09Å; L144-L147 WeakPolarHBondContact O-CB 3.38Å; L144-L147 PolarHBondContact O-N 3.31Å; H145-L147 VanDerWaalsContact C-N 3.3Å; L147-N149 PolarHBondContact O-N 2.9Å
148R90.6Very high96.8Very high227 Ų22757.3 Ų57.386%0.85728%0.278SS*.THydrogen-bonded Turntrans-71.3-28.9-173.6-63.7-171.7-179.9-157.90.3114.7S146S146-R148 VanDerWaalsContact C-N 3.27Å; S146-R148 PolarHBondContact O-N 3.28Å
149N90.8Very high96.6Very high165 Ų16557.5 Ų57.588%0.88228%0.279SS*.THydrogen-bonded Turntrans-107.523.7-172.8-61.9-20.1000112.4L147L147-N149 PolarHBondContact O-N 2.9Å
150R94.7Very high96.4Very high30 Ų3059.7 Ų59.711%0.11329%0.293CS..SBendtrans-140.5132.1-176.6-173.8176.6-69.5-1107.6109.8L110 L115 A118 W152L110-R150 VanDerWaalsContact CD2-CZ 3.45Å; L110-R150 PolarHBondContact O-NH2 2.8Å; L115-R150 PolarHBondContact O-NH1 3.24Å; L115-R150 PolarHBondContact O-NH2 2.95Å; A118-R150 PolarHBondContact O-NH1 3.2Å; R150-W152 VanDerWaalsContact O-CD1 3.31Å; R150-W152 PolarHBondContact O-N 2.78Å
151N96.4Very high96.2Very high78 Ų7858 Ų5842%0.41729%0.287SS..  trans-71.2121.1171.1-72.1-14.7000108.9V119 L120V119-N151 HydrophobicContact CG1-CB 4.24Å; L120-N151 PolarHBondContact N-O 3.4Å
152W98.1Very high95.9Very high74 Ų7455.2 Ų55.228%0.2828%0.277SS..EExtended strand (participates in β ladder)trans-137.3154.7177.966.7-95.2000112.5L120 T139 L144 R150 I154 W171L120-W152 HydrophobicContact CB-CB 3.92Å; L120-W152 HydrophobicContact CD2-CB 4.02Å; L120-W152 HydrophobicContact CG-CB 4.14Å; L120-W152 CarbonylContact O-C 3.55Å; L120-W152 WeakPolarHBondContact O-CA 3.25Å; T139-W152 HydrophobicContact CG2-CH2 3.85Å; T139-W152 HydrophobicContact CG2-CZ3 4.31Å; L144-W152 HydrophobicContact CB-CD2 4.23Å; L144-W152 HydrophobicContact CB-CE3 4.16Å; L144-W152 HydrophobicContact CB-CH2 4.02Å; L144-W152 HydrophobicContact CB-CZ2 4.06Å; L144-W152 HydrophobicContact CB-CZ3 4.06Å; L144-W152 HydrophobicContact CD1-CE3 3.98Å; L144-W152 HydrophobicContact CD1-CZ3 3.94Å; L144-W152 PolarHBondContact O-NE1 2.99Å; R150-W152 VanDerWaalsContact O-CD1 3.31Å; R150-W152 PolarHBondContact O-N 2.78Å; W152-I154 HydrophobicContact CZ3-CG2 4.22Å; W152-W171 VanDerWaalsContact C-CH2 3.44Å
153Y98.5Very high95.9Very high82 Ų8260.1 Ų60.132%0.32230%0.303SS..EExtended strand (participates in β ladder)trans-146.2150.8170178.6-119.5000109.8L120 L121 V122 Q155 W171L120-Y153 PolarHBondContact O-N 3.13Å; L121-Y153 CarbonylContact C-O 3.58Å; L121-Y153 WeakPolarHBondContact CA-O 3.3Å; L121-Y153 HydrophobicContact CD1-CD1 3.77Å; V122-Y153 PolarHBondContact N-O 3.04Å; Y153-Q155 HydrophobicContact CD1-CB 4.32Å; Y153-Q155 HydrophobicContact CE1-CB 3.82Å; Y153-Q155 HydrophobicContact CE1-CG 4.42Å; Y153-Q155 PolarHBondContact OH-OE1 3.13Å; Y153-W171 HydrophobicContact CD1-CB 3.99Å; Y153-W171 AromaticContact CD1-CD2 3.8Å; Y153-W171 HydrophobicContact CD1-CD2 3.8Å; Y153-W171 HydrophobicContact CD1-CE3 4.08Å; Y153-W171 AromaticContact CD1-CG 3.72Å; Y153-W171 HydrophobicContact CD1-CG 3.72Å; Y153-W171 HydrophobicContact CE1-CB 4.29Å; Y153-W171 HydrophobicContact CE1-CG 4.36Å; Y153-W171 AromaticContact CG-CD2 3.81Å; Y153-W171 HydrophobicContact CG-CD2 3.81Å; Y153-W171 AromaticContact CG-CE2 3.93Å; Y153-W171 HydrophobicContact CG-CE3 4.23Å; Y153-W171 AromaticContact CG-CG 3.99Å; Y153-W171 HydrophobicContact CG-CG 3.99Å; Y153-W171 HydrophobicContact CG-CZ2 4.44Å
154I98.6Very high95.9Very high18 Ų1857.1 Ų57.19%0.09229%0.289CS..EExtended strand (participates in β ladder)trans-119132.3174.1-174.5164.3000109V122 A124 A135 L138 L144 W152V122-I154 HydrophobicContact CB-CB 4.16Å; V122-I154 HydrophobicContact CB-CD1 4.33Å; V122-I154 HydrophobicContact CB-CG1 3.98Å; V122-I154 HydrophobicContact CG1-CD1 3.95Å; V122-I154 HydrophobicContact CG1-CG1 4.01Å; V122-I154 CarbonylContact O-C 3.55Å; V122-I154 WeakPolarHBondContact O-CA 3.49Å; A124-I154 HydrophobicContact CB-CD1 4.28Å; A124-I154 HydrophobicContact CB-CG1 4.26Å; A135-I154 HydrophobicContact CB-CD1 4.41Å; A135-I154 HydrophobicContact CB-CG1 4.32Å; A135-I154 HydrophobicContact CB-CG2 4.32Å; L138-I154 HydrophobicContact CB-CD1 3.83Å; L144-I154 HydrophobicContact CD1-CB 4.29Å; L144-I154 HydrophobicContact CD1-CD1 4.17Å; W152-I154 HydrophobicContact CZ3-CG2 4.22Å
155Q98.8Very high95.7Very high29 Ų2957.2 Ų57.214%0.13629%0.289CS..EExtended strand (participates in β ladder)trans-125.5124.8-179.1-17957.758.300109.3L121 V122 F123 A124 Y153 T157 G164L121-Q155 HydrophobicContact CD1-CB 4.31Å; V122-Q155 PolarHBondContact O-N 3.02Å; F123-Q155 HydrophobicContact CD1-CB 4Å; F123-Q155 HydrophobicContact CD1-CG 4.36Å; F123-Q155 HydrophobicContact CE1-CB 4.13Å; F123-Q155 HydrophobicContact CE1-CG 4.2Å; A124-Q155 PolarHBondContact N-O 2.91Å; Y153-Q155 HydrophobicContact CD1-CB 4.32Å; Y153-Q155 HydrophobicContact CE1-CB 3.82Å; Y153-Q155 HydrophobicContact CE1-CG 4.42Å; Y153-Q155 PolarHBondContact OH-OE1 3.13Å; Q155-T157 HydrophobicContact CB-CG2 4.48Å; Q155-T157 HydrophobicContact CG-CG2 3.93Å; Q155-G164 WeakPolarHBondContact CG-O 3.43Å
156A98.6Very high95.5Very high36 Ų3656.3 Ų56.330%0.29828%0.282SS..EExtended strand (participates in β ladder)trans-67.1130.6169.500000109.3Q127Q127-A156 HydrophobicContact CG-CB 4Å
157T98.5Very high95.5Very high2 Ų258.9 Ų58.91%0.01229%0.288CS..  trans-141.5156-17660.60000114.2F123 A124 N125 K126 Q127 Q155 D163 L165F123-T157 HydrophobicContact CB-CG2 4.42Å; F123-T157 HydrophobicContact CD1-CG2 3.29Å; F123-T157 HydrophobicContact CE1-CG2 3.65Å; F123-T157 HydrophobicContact CG-CG2 4.04Å; A124-T157 PolarHBondContact O-N 3.19Å; N125-T157 CarbonylContact C-O 3.49Å; N125-T157 WeakPolarHBondContact CA-O 3.48Å; N125-T157 VanDerWaalsContact CA-OG1 3.31Å; N125-T157 WeakPolarHBondContact CA-OG1 3.26Å; K126-T157 PolarHBondContact N-O 2.99Å; K126-T157 VanDerWaalsContact N-O 3.13Å; Q127-T157 WeakPolarHBondContact CG-O 3.27Å; Q127-T157 PolarHBondContact N-O 3.17Å; Q127-T157 VanDerWaalsContact N-O 3.17Å; Q155-T157 HydrophobicContact CB-CG2 4.48Å; Q155-T157 HydrophobicContact CG-CG2 3.93Å; T157-D163 VanDerWaalsContact CA-O 3.25Å; T157-D163 WeakPolarHBondContact CA-O 3.49Å; T157-D163 WeakPolarHBondContact CB-O 3.49Å; T157-L165 HydrophobicContact CG2-CD2 3.91Å
158C97.8Very high95.6Very high7 Ų757.6 Ų57.65%0.04728%0.281CS..BIsolated β-bridgetrans-127.6104.4165.2179.90000108.4D128 T160 T161 G162 D163D128-C158 VanDerWaalsContact CG-SG 3.56Å; D128-C158 PolarHBondContact OD1-SG 2.76Å; C158-T160 PolarHBondContact O-N 2.92Å; C158-T160 PolarHBondContact SG-OG1 3.1Å; C158-T161 WeakPolarHBondContact CB-OG1 3.37Å; C158-T161 PolarHBondContact O-N 2.82Å; C158-T161 PolarHBondContact O-OG1 2.94Å; C158-T161 PolarHBondContact SG-OG1 2.96Å; C158-G162 WeakPolarHBondContact O-CA 3.09Å; C158-G162 PolarHBondContact O-N 3.31Å; C158-D163 HydrophobicContact CB-CB 4.42Å; C158-D163 PolarHBondContact N-O 3.4Å; C158-D163 PolarHBondContact O-N 3.44Å
159A94.1Very high95.7Very high4 Ų446.9 Ų46.93%0.03324%0.241CC..THydrogen-bonded Turntrans-61.6-29.8-175.400000113.9T31 I32 N125T31-A159 HydrophobicContact CG2-CB 3.74Å; I32-A159 HydrophobicContact CD1-CB 4.44Å; I32-A159 HydrophobicContact CG1-CB 3.51Å; N125-A159 WeakPolarHBondContact OD1-CB 3.41Å; N125-A159 PolarHBondContact OD1-N 2.81Å
160T93.3Very high95.7Very high58 Ų5841.6 Ų41.636%0.35621%0.213SC..THydrogen-bonded Turntrans-73.4-46.9-179.151.50000111T31 K35 I41 C158T31-T160 HydrophobicContact CG2-CG2 4.25Å; K35-T160 PolarHBondContact NZ-O 3.3Å; I41-T160 WeakPolarHBondContact CD1-O 3.26Å; I41-T160 WeakPolarHBondContact CG1-O 3.47Å; C158-T160 PolarHBondContact O-N 2.92Å; C158-T160 PolarHBondContact SG-OG1 3.1Å
161T93.7Very high95.7Very high73 Ų7342.7 Ų42.745%0.44822%0.217SC..THydrogen-bonded Turntrans-76.2-33.6176.962.30000111.8K35 C158 D163K35-T161 WeakPolarHBondContact CE-O 3.48Å; K35-T161 PolarHBondContact NZ-O 2.89Å; C158-T161 WeakPolarHBondContact CB-OG1 3.37Å; C158-T161 PolarHBondContact O-N 2.82Å; C158-T161 PolarHBondContact O-OG1 2.94Å; C158-T161 PolarHBondContact SG-OG1 2.96Å; T161-D163 WeakPolarHBondContact CB-OD2 3.46Å; T161-D163 PolarHBondContact OG1-N 3.46Å; T161-D163 PolarHBondContact OG1-OD2 3.18Å
162G93.4Very high95.5Very high8 Ų839 Ų398%0.08220%0.197CC..THydrogen-bonded Turntrans97.1-0.7-172.800000113.3C158 G164 L165C158-G162 WeakPolarHBondContact O-CA 3.09Å; C158-G162 PolarHBondContact O-N 3.31Å; G162-G164 PolarHBondContact O-N 3.25Å; G162-L165 WeakPolarHBondContact O-CB 3.47Å; G162-L165 WeakPolarHBondContact O-CG 3.25Å; G162-L165 PolarHBondContact O-N 3.38Å
163D97.1Very high95Very high105 Ų10535.5 Ų35.556%0.56118%0.184SC*.BIsolated β-bridgetrans-61.7135.1-176.6-60.1-32.7000111T157 C158 T161 L165T157-D163 VanDerWaalsContact CA-O 3.25Å; T157-D163 WeakPolarHBondContact CA-O 3.49Å; T157-D163 WeakPolarHBondContact CB-O 3.49Å; C158-D163 HydrophobicContact CB-CB 4.42Å; C158-D163 PolarHBondContact N-O 3.4Å; C158-D163 PolarHBondContact O-N 3.44Å; T161-D163 WeakPolarHBondContact CB-OD2 3.46Å; T161-D163 PolarHBondContact OG1-N 3.46Å; T161-D163 PolarHBondContact OG1-OD2 3.18Å; D163-L165 PolarHBondContact O-N 3.49Å
164G97.2Very high94.6Very high7 Ų735.6 Ų35.67%0.07219%0.19CC..THydrogen-bonded Turntrans77.4-14178.700000115.1Q155 G162 E167 G168Q155-G164 WeakPolarHBondContact CG-O 3.43Å; G162-G164 PolarHBondContact O-N 3.25Å; G164-E167 WeakPolarHBondContact CA-OE2 3Å; G164-E167 PolarHBondContact N-OE2 3.04Å; G164-G168 PolarHBondContact O-N 3.04Å
165L94.1Very high94.2Very high1 Ų136.9 Ų36.91%0.00520%0.195CC..Hα-helixtrans-64-48.4-176.6-63.6-175.3000111I32 K35 F123 T157 G162 D163 G168 L169I32-L165 HydrophobicContact CD1-CD2 4.14Å; I32-L165 HydrophobicContact CG1-CD2 3.89Å; I32-L165 HydrophobicContact CG2-CD1 4.28Å; I32-L165 HydrophobicContact CG2-CD2 3.99Å; K35-L165 HydrophobicContact CB-CD1 4.26Å; K35-L165 HydrophobicContact CG-CD1 3.98Å; F123-L165 HydrophobicContact CE1-CD2 4.5Å; F123-L165 HydrophobicContact CE2-CD2 4.34Å; F123-L165 HydrophobicContact CZ-CD2 4.27Å; T157-L165 HydrophobicContact CG2-CD2 3.91Å; G162-L165 WeakPolarHBondContact O-CB 3.47Å; G162-L165 WeakPolarHBondContact O-CG 3.25Å; G162-L165 PolarHBondContact O-N 3.38Å; D163-L165 PolarHBondContact O-N 3.49Å; L165-G168 PolarHBondContact O-N 2.68Å; L165-L169 VanDerWaalsContact O-CG 3.29Å; L165-L169 WeakPolarHBondContact O-CG 3.25Å; L165-L169 PolarHBondContact O-N 2.69Å
166Y92Very high93.6Very high99 Ų9935.8 Ų35.839%0.38819%0.191SC..Hα-helixtrans-69.6-35-176-65.6-65.9000112.3L36 Y57 L169 D170L36-Y166 HydrophobicContact CD2-CE1 4.07Å; Y57-Y166 HydrophobicContact CD2-CD1 4.44Å; Y57-Y166 HydrophobicContact CD2-CE1 4.2Å; Y57-Y166 AromaticContact CE2-CD1 3.45Å; Y57-Y166 HydrophobicContact CE2-CD1 3.45Å; Y57-Y166 VanDerWaalsContact CE2-CD1 3.45Å; Y57-Y166 AromaticContact CE2-CE1 3.47Å; Y57-Y166 HydrophobicContact CE2-CE1 3.47Å; Y57-Y166 VanDerWaalsContact CE2-CE1 3.47Å; Y57-Y166 AromaticContact CZ-CD1 3.64Å; Y57-Y166 WeakPolarHBondContact OH-CD1 3.48Å; Y166-L169 PolarHBondContact O-N 2.65Å; Y166-D170 VanDerWaalsContact O-CB 3.28Å; Y166-D170 WeakPolarHBondContact O-CB 3.23Å; Y166-D170 VanDerWaalsContact O-CG 3.26Å; Y166-D170 PolarHBondContact O-N 2.78Å
167E95.4Very high92.7Very high107 Ų10739.3 Ų39.350%0.520%0.199SC..Hα-helixtrans-62.2-45.3176.2-64.985.2163.900111.3G164 D170 W171G164-E167 WeakPolarHBondContact CA-OE2 3Å; G164-E167 PolarHBondContact N-OE2 3.04Å; E167-D170 PolarHBondContact O-N 3.47Å; E167-W171 PolarHBondContact O-N 2.92Å
168G95.8Very high91.2Very high0 Ų045.6 Ų45.60%023%0.232CC..Hα-helixtrans-65.6-41.8175.800000112.3L121 G164 L165 D170 W171 L172L121-G168 WeakPolarHBondContact CD2-O 3.25Å; G164-G168 PolarHBondContact O-N 3.04Å; L165-G168 PolarHBondContact O-N 2.68Å; G168-D170 VanDerWaalsContact C-N 3.34Å; G168-W171 PolarHBondContact O-N 2.85Å; G168-L172 WeakPolarHBondContact O-CB 3.41Å; G168-L172 PolarHBondContact O-N 2.75Å
169L91.9Very high89.2Confident1 Ų152.2 Ų52.21%0.00526%0.263CS..Hα-helixtrans-67.5-33.7177-68.4-176.7000113L36 Y57 F62 I88 L121 F123 L165 Y166 L172 S173L36-L169 HydrophobicContact CD1-CD1 3.81Å; L36-L169 HydrophobicContact CD2-CD1 3.56Å; L36-L169 HydrophobicContact CG-CD1 4.35Å; Y57-L169 HydrophobicContact CD1-CB 4.15Å; Y57-L169 HydrophobicContact CD1-CD1 3.99Å; Y57-L169 HydrophobicContact CE1-CB 3.84Å; Y57-L169 HydrophobicContact CE1-CD1 4.2Å; Y57-L169 HydrophobicContact CG-CD1 4.19Å; F62-L169 HydrophobicContact CE1-CD2 3.43Å; F62-L169 VanDerWaalsContact CE1-CD2 3.43Å; F62-L169 HydrophobicContact CE2-CD1 3.94Å; F62-L169 HydrophobicContact CE2-CD2 4.32Å; F62-L169 HydrophobicContact CZ-CD1 3.59Å; F62-L169 HydrophobicContact CZ-CD2 3.28Å; F62-L169 HydrophobicContact CZ-CG 3.95Å; I88-L169 HydrophobicContact CD1-CD2 3.75Å; L121-L169 HydrophobicContact CD2-CD2 4.41Å; F123-L169 HydrophobicContact CZ-CD2 4.29Å; F123-L169 HydrophobicContact CZ-CG 4.36Å; L165-L169 VanDerWaalsContact O-CG 3.29Å; L165-L169 WeakPolarHBondContact O-CG 3.25Å; L165-L169 PolarHBondContact O-N 2.69Å; Y166-L169 PolarHBondContact O-N 2.65Å; L169-L172 PolarHBondContact O-N 3.14Å; L169-S173 VanDerWaalsContact O-CB 3.25Å; L169-S173 WeakPolarHBondContact O-CB 3.26Å; L169-S173 PolarHBondContact O-N 2.79Å
170D91.4Very high88.9Confident55 Ų5554.7 Ų54.729%0.29427%0.274SS..Hα-helixtrans-68.1-42.7175.7-81.7-1.5000111.4Y57 K58 Y166 E167 G168 S173 N174Y57-D170 PolarHBondContact OH-OD1 2.79Å; K58-D170 VanDerWaalsContact NZ-CG 3.31Å; K58-D170 IonicContact NZ-OD1 3.09Å; K58-D170 PolarHBondContact NZ-OD1 2.77Å; K58-D170 IonicContact NZ-OD2 2.68Å; K58-D170 PolarHBondContact NZ-OD2 3.21Å; Y166-D170 VanDerWaalsContact O-CB 3.28Å; Y166-D170 WeakPolarHBondContact O-CB 3.23Å; Y166-D170 VanDerWaalsContact O-CG 3.26Å; Y166-D170 PolarHBondContact O-N 2.78Å; E167-D170 PolarHBondContact O-N 3.47Å; G168-D170 VanDerWaalsContact C-N 3.34Å; D170-S173 PolarHBondContact O-N 3.16Å; D170-N174 WeakPolarHBondContact O-CB 2.96Å; D170-N174 PolarHBondContact O-N 3.07Å; D170-N174 PolarHBondContact O-ND2 2.81Å; D170-N174 VanDerWaalsContact O-ND2 3.15Å
171W94.9Very high88.7Confident53 Ų5354.5 Ų54.520%0.20127%0.27CS..Hα-helixtrans-57.5-50.9170.6176.390.1000111.1V119 L120 L121 W152 Y153 E167 G168 S173 N174 Q175V119-W171 HydrophobicContact CG1-CH2 3.51Å; V119-W171 HydrophobicContact CG1-CZ2 4.5Å; V119-W171 HydrophobicContact CG1-CZ3 3.7Å; L120-W171 WeakPolarHBondContact O-CH2 3.48Å; L120-W171 WeakPolarHBondContact O-CZ3 3.45Å; L121-W171 HydrophobicContact CB-CE3 4.5Å; L121-W171 HydrophobicContact CB-CZ3 4.18Å; L121-W171 HydrophobicContact CD1-CE3 4.1Å; L121-W171 HydrophobicContact CD1-CZ3 4.42Å; W152-W171 VanDerWaalsContact C-CH2 3.44Å; Y153-W171 HydrophobicContact CD1-CB 3.99Å; Y153-W171 AromaticContact CD1-CD2 3.8Å; Y153-W171 HydrophobicContact CD1-CD2 3.8Å; Y153-W171 HydrophobicContact CD1-CE3 4.08Å; Y153-W171 AromaticContact CD1-CG 3.72Å; Y153-W171 HydrophobicContact CD1-CG 3.72Å; Y153-W171 HydrophobicContact CE1-CB 4.29Å; Y153-W171 HydrophobicContact CE1-CG 4.36Å; Y153-W171 AromaticContact CG-CD2 3.81Å; Y153-W171 HydrophobicContact CG-CD2 3.81Å; Y153-W171 AromaticContact CG-CE2 3.93Å; Y153-W171 HydrophobicContact CG-CE3 4.23Å; Y153-W171 AromaticContact CG-CG 3.99Å; Y153-W171 HydrophobicContact CG-CG 3.99Å; Y153-W171 HydrophobicContact CG-CZ2 4.44Å; E167-W171 PolarHBondContact O-N 2.92Å; G168-W171 PolarHBondContact O-N 2.85Å; W171-S173 PolarHBondContact O-N 2.64Å; W171-N174 PolarHBondContact O-N 3.49Å; W171-N174 VanDerWaalsContact O-N 3.17Å; W171-Q175 HydrophobicContact CD2-CG 3.94Å; W171-Q175 HydrophobicContact CE3-CG 4.24Å; W171-Q175 HydrophobicContact CH2-CG 3.86Å; W171-Q175 HydrophobicContact CZ2-CG 3.51Å; W171-Q175 HydrophobicContact CZ3-CG 4.2Å; W171-Q175 WeakPolarHBondContact O-CG 3.05Å; W171-Q175 PolarHBondContact O-N 3.24Å
172L92.2Very high88.4Confident0 Ų053.4 Ų53.40%026%0.26CS..Hα-helixtrans-61.5-43.7-178.3-176.958.4000111.5I19 I88 V119 L121 G168 L169 N174 Q175 L176I19-L172 HydrophobicContact CD1-CD2 3.7Å; I19-L172 HydrophobicContact CD1-CG 4.13Å; I19-L172 HydrophobicContact CG2-CD2 4.2Å; I88-L172 HydrophobicContact CD1-CD2 3.92Å; I88-L172 HydrophobicContact CG1-CD2 3.72Å; V119-L172 HydrophobicContact CB-CD1 4.01Å; V119-L172 HydrophobicContact CG1-CD1 3.72Å; L121-L172 HydrophobicContact CB-CD1 4.49Å; L121-L172 HydrophobicContact CB-CD2 4.21Å; L121-L172 HydrophobicContact CD2-CB 4.23Å; L121-L172 HydrophobicContact CD2-CD2 4.08Å; G168-L172 WeakPolarHBondContact O-CB 3.41Å; G168-L172 PolarHBondContact O-N 2.75Å; L169-L172 PolarHBondContact O-N 3.14Å; L172-N174 VanDerWaalsContact C-N 3.31Å; L172-N174 PolarHBondContact O-N 3.09Å; L172-Q175 PolarHBondContact O-N 3.13Å; L172-L176 HydrophobicContact CD1-CD1 4.2Å; L172-L176 HydrophobicContact CD1-CG 4.3Å; L172-L176 HydrophobicContact CG-CD1 4.09Å; L172-L176 VanDerWaalsContact O-CG 3.29Å; L172-L176 WeakPolarHBondContact O-CG 3.45Å; L172-L176 PolarHBondContact O-N 3.23Å
173S87.2Confident88.1Confident1 Ų156.1 Ų56.11%0.00727%0.27CS..Hα-helixtrans-57.7-43.4175.6-175.40000112.3I60 L169 D170 W171 L176 K177I60-S173 VanDerWaalsContact CD1-CB 3.49Å; L169-S173 VanDerWaalsContact O-CB 3.25Å; L169-S173 WeakPolarHBondContact O-CB 3.26Å; L169-S173 PolarHBondContact O-N 2.79Å; D170-S173 PolarHBondContact O-N 3.16Å; W171-S173 PolarHBondContact O-N 2.64Å; S173-L176 PolarHBondContact O-N 2.59Å; S173-K177 WeakPolarHBondContact O-CG 3.28Å; S173-K177 PolarHBondContact O-N 2.94Å; S173-K177 VanDerWaalsContact O-N 3.11Å
174N89.8Confident87.6Confident83 Ų8353.1 Ų53.144%0.44425%0.252SS..Hα-helixtrans-68.4-38.5179.3-70.2-25.4000112D170 W171 L172 K177 N178D170-N174 WeakPolarHBondContact O-CB 2.96Å; D170-N174 PolarHBondContact O-N 3.07Å; D170-N174 PolarHBondContact O-ND2 2.81Å; D170-N174 VanDerWaalsContact O-ND2 3.15Å; W171-N174 PolarHBondContact O-N 3.49Å; W171-N174 VanDerWaalsContact O-N 3.17Å; L172-N174 VanDerWaalsContact C-N 3.31Å; L172-N174 PolarHBondContact O-N 3.09Å; N174-K177 PolarHBondContact O-N 2.97Å; N174-N178 PolarHBondContact O-ND2 3.01Å
175Q91.9Very high86.9Confident46 Ų4656.1 Ų56.122%0.21526%0.264CS..Hα-helixtrans-62.1-44.6174.1-64.5-50.8-48.500111.6V119 W171 L172 K177 N178 H179V119-Q175 HydrophobicContact CG1-CB 3.85Å; V119-Q175 HydrophobicContact CG1-CG 4.13Å; V119-Q175 HydrophobicContact CG2-CB 4.23Å; W171-Q175 HydrophobicContact CD2-CG 3.94Å; W171-Q175 HydrophobicContact CE3-CG 4.24Å; W171-Q175 HydrophobicContact CH2-CG 3.86Å; W171-Q175 HydrophobicContact CZ2-CG 3.51Å; W171-Q175 HydrophobicContact CZ3-CG 4.2Å; W171-Q175 WeakPolarHBondContact O-CG 3.05Å; W171-Q175 PolarHBondContact O-N 3.24Å; L172-Q175 PolarHBondContact O-N 3.13Å; Q175-K177 VanDerWaalsContact C-N 3.3Å; Q175-K177 PolarHBondContact O-N 3.18Å; Q175-N178 PolarHBondContact O-N 2.84Å; Q175-H179 PolarHBondContact O-CD2 2.97Å
176L86.3Confident86.4Confident6 Ų660.1 Ų60.13%0.03128%0.283CS..Hα-helixtrans-72.4-19.1-177.7-64.3175.1000114M17 I19 Q85 V119 L172 S173M17-L176 HydrophobicContact CB-CD1 4.46Å; M17-L176 HydrophobicContact CE-CB 4.04Å; M17-L176 WeakPolarHBondContact CE-O 3.38Å; I19-L176 HydrophobicContact CD1-CD1 3.59Å; I19-L176 HydrophobicContact CG1-CD1 4.11Å; Q85-L176 HydrophobicContact CB-CD2 4.02Å; Q85-L176 VanDerWaalsContact O-CD2 3.31Å; Q85-L176 WeakPolarHBondContact O-CD2 3.41Å; V119-L176 HydrophobicContact CB-CD2 4.24Å; V119-L176 HydrophobicContact CG2-CD2 3.91Å; L172-L176 HydrophobicContact CD1-CD1 4.2Å; L172-L176 HydrophobicContact CD1-CG 4.3Å; L172-L176 HydrophobicContact CG-CD1 4.09Å; L172-L176 VanDerWaalsContact O-CG 3.29Å; L172-L176 WeakPolarHBondContact O-CG 3.45Å; L172-L176 PolarHBondContact O-N 3.23Å; S173-L176 PolarHBondContact O-N 2.59Å
177K79.4Confident86Confident109 Ų10957.1 Ų57.147%0.47427%0.274SS..Hα-helixtrans-75.8-27.5172.8-76.8170.9-173.11680113S173 N174 Q175 H179S173-K177 WeakPolarHBondContact O-CG 3.28Å; S173-K177 PolarHBondContact O-N 2.94Å; S173-K177 VanDerWaalsContact O-N 3.11Å; N174-K177 PolarHBondContact O-N 2.97Å; Q175-K177 VanDerWaalsContact C-N 3.3Å; Q175-K177 PolarHBondContact O-N 3.18Å; K177-H179 VanDerWaalsContact C-N 3.26Å
178N65.4Low85.2Confident134 Ų13452.9 Ų52.972%0.71726%0.256SS*.  trans-883-177.4-63.8-25.1000112.7N174 Q175N174-N178 PolarHBondContact O-ND2 3.01Å; Q175-N178 PolarHBondContact O-N 2.84Å
179H56.1Low84.2Confident147 Ų14757.7 Ų57.768%0.68128%0.279SS*.  trans-1170172.5-75.1-79.6000110.5K15 Q175 K177K15-H179 PolarHBondContact NZ-OXT 3.35Å; Q175-H179 PolarHBondContact O-CD2 2.97Å; K177-H179 VanDerWaalsContact C-N 3.26Å

Retrieved 179 of 179 residues in 275.5 ms (Link to these results)

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