A0A3Q0KP64_SCHMA Loading...

Arrestin_N domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KP64, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 530 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
1M33.2Very low42.2Very low243 Ų243119.5 Ų119.5100%1.19768%0.684SS**  0111.30-76.9175.3168.700107.2S3M1-S3 PolarHBondContact O-N 2.97Å; M1-S3 VanDerWaalsContact O-N 3.1Å
2S30.4Very low45.5Very low114 Ų114112 Ų11280%0.79764%0.64SS**  trans-66.8103.9176.548.10000108.9T4S2-T4 VanDerWaalsContact C-N 3.28Å; S2-T4 PolarHBondContact O-N 2.82Å
3S30.2Very low48.7Very low114 Ų114107.7 Ų107.780%0.79763%0.626SS**  trans-70.190170.354.90000108.2M1 S5M1-S3 PolarHBondContact O-N 2.97Å; M1-S3 VanDerWaalsContact O-N 3.1Å; S3-S5 VanDerWaalsContact C-N 3.3Å; S3-S5 PolarHBondContact O-N 2.91Å
4T29Very low51.7Low105 Ų105101.6 Ų101.664%0.64460%0.595SS**  trans-61.698162.341.40000107S2 H6S2-T4 VanDerWaalsContact C-N 3.28Å; S2-T4 PolarHBondContact O-N 2.82Å; T4-H6 PolarHBondContact O-N 3.26Å
5S30.1Very low54.4Low108 Ų108104.2 Ų104.276%0.75560%0.596SS**  trans-63.987.2167.853.30000107.5S3 E7S3-S5 VanDerWaalsContact C-N 3.3Å; S3-S5 PolarHBondContact O-N 2.91Å; S5-E7 VanDerWaalsContact C-N 3.32Å; S5-E7 PolarHBondContact O-N 3.03Å
6H31.9Very low56.7Low155 Ų15598.8 Ų98.872%0.71857%0.565SS**  trans-60.8103.4161-80.7-70.6000106.3T4 Q8T4-H6 PolarHBondContact O-N 3.26Å; H6-Q8 VanDerWaalsContact C-N 3.26Å; H6-Q8 PolarHBondContact O-N 3.22Å
7E37.8Very low58.6Low184 Ų18497.1 Ų97.186%0.8656%0.556SS**  trans-55.698.4161.8-78.5-177.5154.800106.8S5 N9S5-E7 VanDerWaalsContact C-N 3.32Å; S5-E7 PolarHBondContact O-N 3.03Å; E7-N9 VanDerWaalsContact C-N 3.33Å; E7-N9 PolarHBondContact O-N 3.11Å
8Q48.1Very low60Low80 Ų8095.5 Ų95.537%0.37457%0.565SS.*  trans-68.497.6173.8-74.5175.20.300106.9H6 L10H6-Q8 VanDerWaalsContact C-N 3.26Å; H6-Q8 PolarHBondContact O-N 3.22Å; Q8-L10 PolarHBondContact O-N 3.24Å
9N55.8Low61.2Low145 Ų14594.4 Ų94.478%0.77556%0.562SS**  trans-73.5115.5178.8-151.3-12.5000107.7E7 G11E7-N9 VanDerWaalsContact C-N 3.33Å; E7-N9 PolarHBondContact O-N 3.11Å; N9-G11 PolarHBondContact O-N 3.16Å
10L65.2Low62.5Low15 Ų1593.2 Ų93.28%0.07956%0.559CS.*  trans-61.3-4.1-172.8-129.3134.1000114.3Q8 L12 P35 W47 V160 Y162 H170Q8-L10 PolarHBondContact O-N 3.24Å; L10-L12 VanDerWaalsContact C-N 3.27Å; L10-L12 HydrophobicContact CB-CG 4.07Å; L10-L12 HydrophobicContact CD2-CD2 4.07Å; L10-L12 PolarHBondContact O-N 2.9Å; L10-P35 WeakPolarHBondContact O-CD 3.37Å; L10-P35 WeakPolarHBondContact O-CG 3.32Å; L10-W47 HydrophobicContact CD2-CD2 3.82Å; L10-W47 HydrophobicContact CD2-CE3 4.33Å; L10-W47 HydrophobicContact CD2-CG 4.3Å; L10-W47 HydrophobicContact CD2-CH2 4.15Å; L10-W47 HydrophobicContact CD2-CZ2 3.59Å; L10-W47 HydrophobicContact CD2-CZ3 4.47Å; L10-V160 HydrophobicContact CD1-CB 4.06Å; L10-V160 HydrophobicContact CD1-CG1 3.78Å; L10-V160 HydrophobicContact CD1-CG2 3.46Å; L10-V160 VanDerWaalsContact CD1-CG2 3.46Å; L10-Y162 HydrophobicContact CD1-CE2 4.46Å; L10-Y162 WeakPolarHBondContact CD1-OH 3.16Å; L10-H170 VanDerWaalsContact CD1-CE1 3.5Å; L10-H170 WeakPolarHBondContact CD1-CE1 3.47Å
11G72.5Confident63.8Low51 Ų5191.1 Ų91.153%0.52655%0.547SS..  trans67.426.2-179.800000113.5N9 A13N9-G11 PolarHBondContact O-N 3.16Å; G11-A13 PolarHBondContact O-N 3.03Å
12L82.3Confident66.5Low30 Ų3080 Ų8016%0.15749%0.492CS..  trans-61.8132.8176.6-58.9169.9000110.1L10 F34 V158 H170 I172L10-L12 VanDerWaalsContact C-N 3.27Å; L10-L12 HydrophobicContact CB-CG 4.07Å; L10-L12 HydrophobicContact CD2-CD2 4.07Å; L10-L12 PolarHBondContact O-N 2.9Å; L12-F34 HydrophobicContact CD2-CD1 3.27Å; L12-F34 HydrophobicContact CD2-CE1 3.62Å; L12-F34 HydrophobicContact CD2-CG 4.18Å; L12-V158 HydrophobicContact CD1-CB 4.09Å; L12-V158 HydrophobicContact CD1-CG1 4.31Å; L12-V158 HydrophobicContact CD1-CG2 4.07Å; L12-H170 HydrophobicContact CD1-CB 3.71Å; L12-I172 HydrophobicContact CB-CD1 3.46Å; L12-I172 VanDerWaalsContact CB-CD1 3.46Å; L12-I172 HydrophobicContact CB-CG1 4.21Å; L12-I172 HydrophobicContact CD1-CD1 4Å; L12-I172 HydrophobicContact CD1-CG1 4.36Å; L12-I172 HydrophobicContact CG-CD1 4.32Å
13A86.5Confident69.2Low56 Ų5675 Ų7546%0.46346%0.456SS..EExtended strand (participates in β ladder)trans-114.9136.4172.900000109.3G11 I32 T33G11-A13 PolarHBondContact O-N 3.03Å; A13-I32 CarbonylContact O-C 3.46Å; A13-I32 WeakPolarHBondContact O-CA 3.42Å; A13-T33 PolarHBondContact N-O 2.84Å; A13-T33 PolarHBondContact O-N 3.42Å
14A90.4Very high71.6Confident23 Ų2369.7 Ų69.719%0.1942%0.42CS..EExtended strand (participates in β ladder)trans-129.914717300000110.3E31 I32 I172 L174A14-E31 CarbonylContact C-O 3.59Å; A14-E31 VanDerWaalsContact CA-O 3.24Å; A14-E31 WeakPolarHBondContact CA-O 3.47Å; A14-I32 HydrophobicContact CB-CG1 4.05Å; A14-I172 HydrophobicContact CB-CD1 4.14Å; A14-I172 HydrophobicContact CB-CG2 3.69Å; A14-L174 HydrophobicContact CB-CD1 3.77Å; A14-L174 HydrophobicContact CB-CD2 4.47Å; A14-L174 HydrophobicContact CB-CG 4.3Å
15K92.6Very high74.1Confident140 Ų14065.4 Ų65.461%0.60940%0.396SS*.EExtended strand (participates in β ladder)trans-143.1139.6-179.2175.8-179.9173.3-169.80110.1C30 E31K15-C30 WeakPolarHBondContact O-CA 3.31Å; K15-E31 PolarHBondContact N-O 2.94Å; K15-E31 PolarHBondContact O-N 3.16Å
16L92.3Very high76.8Confident18 Ų1862.8 Ų62.89%0.09437%0.374CS..EExtended strand (participates in β ladder)trans-76.9128.1166.8-62.7175.1000109.5G18 Y22 V28 C30 V154 L174 L176L16-G18 PolarHBondContact O-N 3.08Å; L16-Y22 HydrophobicContact CD1-CE2 4.29Å; L16-V28 HydrophobicContact CD2-CG1 4.19Å; L16-C30 HydrophobicContact CD2-CB 4.17Å; L16-V154 HydrophobicContact CD2-CG2 3.77Å; L16-L174 HydrophobicContact CD2-CD1 4.17Å; L16-L174 HydrophobicContact CG-CB 4.43Å; L16-L174 HydrophobicContact CG-CD1 4.09Å; L16-L176 HydrophobicContact CD1-CB 4.13Å
17V88.1Confident79.5Confident69 Ų6958.7 Ų58.742%0.41835%0.354SS..SBendtrans-79.1108.1177.2-178.20000108.1N29 E31V17-N29 HydrophobicContact CB-CB 4.14Å; V17-N29 HydrophobicContact CG2-CB 4.46Å; V17-N29 PolarHBondContact N-O 3.15Å; V17-E31 HydrophobicContact CG2-CB 3.95Å
18G83.6Confident82.1Confident69 Ų6950 Ų5071%0.71131%0.313SS*.SBendtrans110-142.8-17900000113.4L16L16-G18 PolarHBondContact O-N 3.08Å
19S82.6Confident84.2Confident74 Ų7447.7 Ų47.752%0.51730%0.303SS..  trans-78.2157176.253.80000111.9V21 Y22S19-V21 VanDerWaalsContact C-N 3.26Å; S19-V21 PolarHBondContact OG-O 2.93Å; S19-Y22 VanDerWaalsContact O-CE2 3.25Å; S19-Y22 WeakPolarHBondContact O-CE2 3.28Å; S19-Y22 PolarHBondContact O-OH 3.1Å; S19-Y22 VanDerWaalsContact O-OH 3.05Å
20S87.1Confident85.9Confident71 Ų7140.8 Ų40.850%0.49727%0.266SS..SBendtrans-88.89.3169.764.30000113.1R177S20-R177 PolarHBondContact O-N 3.19Å
21V90.5Very high87.2Confident50 Ų5043.1 Ų43.130%0.30328%0.277SS..EExtended strand (participates in β ladder)trans-121.1126.6-179-173.10000107.8S19 R177 L179S19-V21 VanDerWaalsContact C-N 3.26Å; S19-V21 PolarHBondContact OG-O 2.93Å; V21-R177 CarbonylContact C-O 3.51Å; V21-R177 WeakPolarHBondContact CA-O 3.39Å; V21-R177 HydrophobicContact CG1-CB 4.43Å; V21-R177 HydrophobicContact CG1-CG 4.36Å; V21-R177 HydrophobicContact CG2-CB 4.2Å; V21-L179 HydrophobicContact CG1-CD1 3.6Å; V21-L179 HydrophobicContact CG1-CG 3.99Å
22Y90.2Very high88Confident10 Ų1040.7 Ų40.74%0.03925%0.252CS..EExtended strand (participates in β ladder)trans-133.8156.4-175.8-62-87.8000110L16 S19 D26 V28 L135 L176 R177 I178 L179L16-Y22 HydrophobicContact CD1-CE2 4.29Å; S19-Y22 VanDerWaalsContact O-CE2 3.25Å; S19-Y22 WeakPolarHBondContact O-CE2 3.28Å; S19-Y22 PolarHBondContact O-OH 3.1Å; S19-Y22 VanDerWaalsContact O-OH 3.05Å; Y22-D26 WeakPolarHBondContact CA-OD2 3.28Å; Y22-D26 HydrophobicContact CD1-CB 4Å; Y22-V28 HydrophobicContact CD1-CG2 3.84Å; Y22-V28 HydrophobicContact CD2-CG2 4.27Å; Y22-V28 HydrophobicContact CE1-CB 4.42Å; Y22-V28 HydrophobicContact CE1-CG2 3.89Å; Y22-V28 HydrophobicContact CE2-CG2 4.31Å; Y22-V28 HydrophobicContact CG-CG2 4.03Å; Y22-L135 HydrophobicContact CG-CD1 4.28Å; Y22-L176 HydrophobicContact CD2-CB 4.23Å; Y22-L176 HydrophobicContact CD2-CD1 4Å; Y22-L176 HydrophobicContact CE2-CB 4.29Å; Y22-R177 PolarHBondContact N-O 2.93Å; Y22-I178 CarbonylContact O-C 3.56Å; Y22-I178 VanDerWaalsContact O-CA 3.26Å; Y22-I178 WeakPolarHBondContact O-CA 3.37Å; Y22-L179 PolarHBondContact O-N 3.35Å
23S85.9Confident88.3Confident8 Ų842.3 Ų42.36%0.05626%0.263CS..EExtended strand (participates in β ladder)trans-106.4160.7168.4-83.20000111.3G25 D26 L179 P180 Y508S23-G25 PolarHBondContact O-N 3.29Å; S23-D26 PolarHBondContact N-OD2 3.31Å; S23-D26 VanDerWaalsContact O-CB 3.25Å; S23-D26 WeakPolarHBondContact O-CB 3.46Å; S23-D26 PolarHBondContact O-N 2.82Å; S23-L179 WeakPolarHBondContact CA-O 3.35Å; S23-P180 PolarHBondContact OG-O 3.37Å; S23-Y508 WeakPolarHBondContact OG-CD1 3.41Å; S23-Y508 WeakPolarHBondContact OG-CE1 3.41Å
24G81.7Confident88.1Confident3 Ų340.4 Ų40.43%0.03125%0.245CC..THydrogen-bonded Turntrans-56.4129.8168.100000110.9P136 Y137 L179 S181G24-P136 VanDerWaalsContact CA-O 3.29Å; G24-P136 WeakPolarHBondContact CA-O 3.43Å; G24-Y137 WeakPolarHBondContact O-CD1 3.5Å; G24-L179 PolarHBondContact N-O 3.47Å; G24-S181 WeakPolarHBondContact O-CB 3.06Å; G24-S181 PolarHBondContact O-OG 3.19Å
25G81.7Confident87.3Confident14 Ų1442 Ų4214%0.14425%0.253CS..THydrogen-bonded Turntrans98.2-16.1-171.400000115S23 L135S23-G25 PolarHBondContact O-N 3.29Å; G25-L135 WeakPolarHBondContact CA-O 3.33Å; G25-L135 PolarHBondContact N-O 3.34Å
26D85.8Confident86.1Confident53 Ų5338.1 Ų38.128%0.28325%0.253SS..PPolyproline II helixtrans-72154-177.2-72.1-2.6000112.3Y22 S23 L135Y22-D26 WeakPolarHBondContact CA-OD2 3.28Å; Y22-D26 HydrophobicContact CD1-CB 4Å; S23-D26 PolarHBondContact N-OD2 3.31Å; S23-D26 VanDerWaalsContact O-CB 3.25Å; S23-D26 WeakPolarHBondContact O-CB 3.46Å; S23-D26 PolarHBondContact O-N 2.82Å; D26-L135 PolarHBondContact O-N 2.95Å
27F88.9Confident84.5Confident70 Ų7039.4 Ų39.431%0.30726%0.26SS..EExtended strand (participates in β ladder)trans-89.7117.2175.1-177.7-106.8000110.5N29 K118 C132 Y134F27-N29 HydrophobicContact CD1-CB 4.36Å; F27-N29 HydrophobicContact CE1-CB 3.84Å; F27-K118 VanDerWaalsContact CZ-NZ 3.34Å; F27-C132 HydrophobicContact CE1-CB 4.1Å; F27-C132 HydrophobicContact CE2-CB 3.5Å; F27-C132 HydrophobicContact CZ-CB 3.2Å; F27-Y134 HydrophobicContact CB-CD1 4.12Å; F27-Y134 HydrophobicContact CB-CE1 3.77Å; F27-Y134 HydrophobicContact CD2-CD1 4.18Å; F27-Y134 AromaticContact CD2-CD2 3.99Å; F27-Y134 HydrophobicContact CD2-CD2 3.99Å; F27-Y134 AromaticContact CD2-CE1 3.84Å; F27-Y134 HydrophobicContact CD2-CE1 3.84Å; F27-Y134 AromaticContact CD2-CE2 3.62Å; F27-Y134 HydrophobicContact CD2-CE2 3.62Å; F27-Y134 HydrophobicContact CD2-CG 4.26Å; F27-Y134 AromaticContact CD2-CZ 3.54Å; F27-Y134 HydrophobicContact CE2-CE2 4.05Å; F27-Y134 HydrophobicContact CG-CE1 4.23Å
28V91.8Very high82.8Confident0 Ų043.4 Ų43.40%027%0.268CS..EExtended strand (participates in β ladder)trans-96.4126.4175.7179.30000108.6L16 Y22 I56 M115 C132 A133 L135 V154L16-V28 HydrophobicContact CD2-CG1 4.19Å; Y22-V28 HydrophobicContact CD1-CG2 3.84Å; Y22-V28 HydrophobicContact CD2-CG2 4.27Å; Y22-V28 HydrophobicContact CE1-CB 4.42Å; Y22-V28 HydrophobicContact CE1-CG2 3.89Å; Y22-V28 HydrophobicContact CE2-CG2 4.31Å; Y22-V28 HydrophobicContact CG-CG2 4.03Å; V28-I56 HydrophobicContact CB-CD1 3.96Å; V28-I56 HydrophobicContact CG1-CD1 4.09Å; V28-I56 HydrophobicContact CG2-CD1 4.02Å; V28-M115 HydrophobicContact CG1-CE 4.23Å; V28-C132 CarbonylContact O-C 3.6Å; V28-C132 WeakPolarHBondContact O-CA 3.34Å; V28-C132 WeakPolarHBondContact O-CB 3.25Å; V28-A133 PolarHBondContact N-O 3.02Å; V28-A133 PolarHBondContact O-N 3.1Å; V28-L135 HydrophobicContact CG2-CD1 3.83Å; V28-L135 HydrophobicContact CG2-CD2 4.06Å; V28-L135 HydrophobicContact CG2-CG 3.77Å; V28-V154 HydrophobicContact CG1-CG2 4.25Å
29N92.7Very high81.3Confident32 Ų3247.3 Ų47.317%0.17127%0.272CS..EExtended strand (participates in β ladder)trans-123.8127.2175.5-173.426.8000110V17 F27 L131V17-N29 HydrophobicContact CB-CB 4.14Å; V17-N29 HydrophobicContact CG2-CB 4.46Å; V17-N29 PolarHBondContact N-O 3.15Å; F27-N29 HydrophobicContact CD1-CB 4.36Å; F27-N29 HydrophobicContact CE1-CB 3.84Å; N29-L131 WeakPolarHBondContact CA-O 3.32Å; N29-L131 PolarHBondContact OD1-O 3.44Å
30C92.7Very high79.9Confident0 Ų045.5 Ų45.50%026%0.262CS..EExtended strand (participates in β ladder)trans-120.3120.8-178.7-179.30000109K15 L16 M115 N130 L131 V154K15-C30 WeakPolarHBondContact O-CA 3.31Å; L16-C30 HydrophobicContact CD2-CB 4.17Å; C30-M115 HydrophobicContact CB-CE 3.9Å; C30-N130 WeakPolarHBondContact O-CA 2.86Å; C30-L131 HydrophobicContact CB-CB 4.32Å; C30-L131 PolarHBondContact N-O 3.13Å; C30-L131 PolarHBondContact O-N 2.53Å; C30-V154 HydrophobicContact CB-CG1 4.3Å
31E91.3Very high78.3Confident64 Ų6449.1 Ų49.130%0.29928%0.28SS..EExtended strand (participates in β ladder)trans-97.2128.9177.1-171-179.579.100109.6A14 K15 V17 P128A14-E31 CarbonylContact C-O 3.59Å; A14-E31 VanDerWaalsContact CA-O 3.24Å; A14-E31 WeakPolarHBondContact CA-O 3.47Å; K15-E31 PolarHBondContact N-O 2.94Å; K15-E31 PolarHBondContact O-N 3.16Å; V17-E31 HydrophobicContact CG2-CB 3.95Å; E31-P128 HydrophobicContact CG-CB 3.33Å; E31-P128 HydrophobicContact CG-CG 3.96Å
32I90.4Very high76.6Confident0 Ų053.7 Ų53.70%029%0.292CS..EExtended strand (participates in β ladder)trans-115.8122.1177-61.5172.2000109.4A13 A14 F34 I52 P128 V129 L131 V156 I172A13-I32 CarbonylContact O-C 3.46Å; A13-I32 WeakPolarHBondContact O-CA 3.42Å; A14-I32 HydrophobicContact CB-CG1 4.05Å; I32-F34 HydrophobicContact CG2-CD2 4.41Å; I32-F34 HydrophobicContact CG2-CE1 4.44Å; I32-F34 HydrophobicContact CG2-CE2 3.86Å; I32-F34 HydrophobicContact CG2-CZ 3.89Å; I32-I52 HydrophobicContact CD1-CD1 3.86Å; I32-P128 CarbonylContact O-C 3.56Å; I32-P128 WeakPolarHBondContact O-CA 3.26Å; I32-P128 WeakPolarHBondContact O-CB 3.48Å; I32-V129 PolarHBondContact N-O 2.83Å; I32-V129 PolarHBondContact O-N 2.96Å; I32-L131 HydrophobicContact CD1-CD1 3.33Å; I32-L131 HydrophobicContact CG1-CD1 4.32Å; I32-V156 HydrophobicContact CD1-CB 3.94Å; I32-V156 HydrophobicContact CD1-CG1 3.49Å; I32-V156 VanDerWaalsContact CD1-CG1 3.49Å; I32-V156 HydrophobicContact CD1-CG2 3.97Å; I32-I172 HydrophobicContact CG2-CD1 4.49Å
33T87.6Confident75.2Confident65 Ų6559.2 Ų59.240%0.39932%0.319SS..EExtended strand (participates in β ladder)trans-104.3127.1174.2-57.50000109.7A13A13-T33 PolarHBondContact N-O 2.84Å; A13-T33 PolarHBondContact O-N 3.42Å
34F83.1Confident73.9Confident16 Ų1664.8 Ų64.87%0.0734%0.343CS..PPolyproline II helixtrans-93.1137.3171-60.1-91.3000108.7L12 I32 G36 W47 L49 I52 V129 V158L12-F34 HydrophobicContact CD2-CD1 3.27Å; L12-F34 HydrophobicContact CD2-CE1 3.62Å; L12-F34 HydrophobicContact CD2-CG 4.18Å; I32-F34 HydrophobicContact CG2-CD2 4.41Å; I32-F34 HydrophobicContact CG2-CE1 4.44Å; I32-F34 HydrophobicContact CG2-CE2 3.86Å; I32-F34 HydrophobicContact CG2-CZ 3.89Å; F34-G36 PolarHBondContact O-N 2.93Å; F34-W47 HydrophobicContact CB-CH2 3.8Å; F34-W47 HydrophobicContact CB-CZ2 4.16Å; F34-W47 AromaticContact CD1-CH2 3.47Å; F34-W47 HydrophobicContact CD1-CH2 3.47Å; F34-W47 VanDerWaalsContact CD1-CH2 3.47Å; F34-W47 HydrophobicContact CD1-CZ2 4.34Å; F34-W47 HydrophobicContact CD1-CZ3 4.09Å; F34-W47 HydrophobicContact CE1-CH2 4.37Å; F34-W47 AromaticContact CG-CH2 3.89Å; F34-W47 HydrophobicContact CG-CH2 3.89Å; F34-L49 HydrophobicContact CE1-CD1 4.18Å; F34-L49 HydrophobicContact CZ-CD1 4.35Å; F34-L49 HydrophobicContact CZ-CD2 4.27Å; F34-I52 HydrophobicContact CZ-CD1 4.24Å; F34-V129 HydrophobicContact CD2-CG2 4.47Å; F34-V129 HydrophobicContact CE2-CB 4.09Å; F34-V129 HydrophobicContact CE2-CG2 3.62Å; F34-V129 HydrophobicContact CZ-CG2 4.43Å; F34-V158 HydrophobicContact CE1-CG1 3.88Å
35P74Confident73.1Confident55 Ų5569 Ų6936%0.35736%0.359SS..PPolyproline II helixtrans-63.2139.6169.819.7-20.9000109.5L10 N37L10-P35 WeakPolarHBondContact O-CD 3.37Å; L10-P35 WeakPolarHBondContact O-CG 3.32Å; P35-N37 PolarHBondContact O-N 3.33Å; P35-N37 VanDerWaalsContact O-N 3.15Å
36G66Low72.7Confident60 Ų6072.4 Ų72.462%0.61937%0.37SS*.PPolyproline II helixtrans-58.4118.8-179.300000111.2F34 W38F34-G36 PolarHBondContact O-N 2.93Å; G36-W38 PolarHBondContact O-N 2.88Å; G36-W38 VanDerWaalsContact O-N 3.08Å
37N58.3Low72.3Confident45 Ų4571.2 Ų71.224%0.24136%0.361CS..G310 helixtrans-68-1175.9-165.216.4000113.5P35 K46 W47P35-N37 PolarHBondContact O-N 3.33Å; P35-N37 VanDerWaalsContact O-N 3.15Å; N37-K46 WeakPolarHBondContact OD1-CA 3.5Å; N37-W47 PolarHBondContact ND2-N 2.87Å; N37-W47 PolarHBondContact ND2-O 3.32Å
38W54.1Low71.9Confident153 Ų15370.8 Ų70.858%0.5837%0.367SS*.G310 helixtrans-85.1-26.4-164.2-55.797.4000114.1G36 R124G36-W38 PolarHBondContact O-N 2.88Å; G36-W38 VanDerWaalsContact O-N 3.08Å; W38-R124 HydrophobicContact CH2-CB 4.16Å; W38-R124 HydrophobicContact CH2-CG 4.07Å; W38-R124 HydrophobicContact CZ2-CB 3.84Å; W38-R124 HydrophobicContact CZ2-CG 4.28Å; W38-R124 WeakPolarHBondContact CZ2-O 3.12Å
39D50.3Low71.4Confident151 Ų15171.9 Ų71.981%0.80737%0.373SS*.G310 helixtrans-103.613.1-178.9-70.8-27.1000113.4V41D39-V41 PolarHBondContact O-N 2.91Å
40A53.6Low71Confident35 Ų3572.3 Ų72.329%0.28938%0.377SS..  trans-61.6105.7174.600000110R42A40-R42 PolarHBondContact O-N 3.38Å
41V53.8Low70.7Confident147 Ų14772.3 Ų72.389%0.89138%0.377SS*.SBendtrans-55.1-21.3-178.6-177.90000112.7D39D39-V41 PolarHBondContact O-N 2.91Å
42R55.5Low70.6Confident146 Ų14669.2 Ų69.255%0.55136%0.363SS*.SBendtrans-123.4135.6176.6-49.6-173.6179.4177-4.1111A40 E44 Y45A40-R42 PolarHBondContact O-N 3.38Å; R42-E44 PolarHBondContact O-N 3.26Å; R42-E44 VanDerWaalsContact O-N 3.16Å; R42-Y45 HydrophobicContact CB-CD2 3.68Å; R42-Y45 HydrophobicContact CB-CE2 3.84Å; R42-Y45 HydrophobicContact CG-CD2 4.24Å; R42-Y45 HydrophobicContact CG-CE2 3.94Å; R42-Y45 PolarHBondContact O-N 2.91Å; R42-Y45 VanDerWaalsContact O-N 3.11Å
43E59.8Low70.6Confident127 Ų12769.2 Ų69.259%0.59336%0.363SS*.G310 helixtrans-60.3-24.3176.4-60.4-155.2117.600113.5Y45 K46E43-Y45 PolarHBondContact O-N 3.36Å; E43-K46 HydrophobicContact CB-CD 4.41Å; E43-K46 VanDerWaalsContact O-CB 3.32Å; E43-K46 WeakPolarHBondContact O-CB 3.46Å; E43-K46 PolarHBondContact O-N 3.06Å; E43-K46 IonicContact OE1-NZ 3Å; E43-K46 PolarHBondContact OE1-NZ 3.26Å
44E58.7Low70.7Confident124 Ų12466.1 Ų66.158%0.57934%0.344SS*.G310 helixtrans-59.8-26175.7-63.8173.8178.100113.3R42 K46R42-E44 PolarHBondContact O-N 3.26Å; R42-E44 VanDerWaalsContact O-N 3.16Å; E44-K46 VanDerWaalsContact C-N 3.34Å
45Y65.1Low71.2Confident93 Ų9365.4 Ų65.437%0.36534%0.34SS..G310 helixtrans-88.2-2.1178-61.5-67.4000113.2R42 E43 W47R42-Y45 HydrophobicContact CB-CD2 3.68Å; R42-Y45 HydrophobicContact CB-CE2 3.84Å; R42-Y45 HydrophobicContact CG-CD2 4.24Å; R42-Y45 HydrophobicContact CG-CE2 3.94Å; R42-Y45 PolarHBondContact O-N 2.91Å; R42-Y45 VanDerWaalsContact O-N 3.11Å; E43-Y45 PolarHBondContact O-N 3.36Å; Y45-W47 PolarHBondContact O-N 3.46Å
46K72.5Confident72.1Confident84 Ų8462.8 Ų62.837%0.36532%0.323SS..  trans-68.5120175.3-69.2176.5-179.4169.80109.6N37 E43 E44 L163N37-K46 WeakPolarHBondContact OD1-CA 3.5Å; E43-K46 HydrophobicContact CB-CD 4.41Å; E43-K46 VanDerWaalsContact O-CB 3.32Å; E43-K46 WeakPolarHBondContact O-CB 3.46Å; E43-K46 PolarHBondContact O-N 3.06Å; E43-K46 IonicContact OE1-NZ 3Å; E43-K46 PolarHBondContact OE1-NZ 3.26Å; E44-K46 VanDerWaalsContact C-N 3.34Å; K46-L163 PolarHBondContact O-N 2.82Å
47W79.3Confident73.4Confident28 Ų2860 Ų6011%0.10629%0.294CS..EExtended strand (participates in β ladder)trans-120.2152.9176.758.1-90.9000112L10 F34 N37 Y45 L49 L125 V160 K161 Y162L10-W47 HydrophobicContact CD2-CD2 3.82Å; L10-W47 HydrophobicContact CD2-CE3 4.33Å; L10-W47 HydrophobicContact CD2-CG 4.3Å; L10-W47 HydrophobicContact CD2-CH2 4.15Å; L10-W47 HydrophobicContact CD2-CZ2 3.59Å; L10-W47 HydrophobicContact CD2-CZ3 4.47Å; F34-W47 HydrophobicContact CB-CH2 3.8Å; F34-W47 HydrophobicContact CB-CZ2 4.16Å; F34-W47 AromaticContact CD1-CH2 3.47Å; F34-W47 HydrophobicContact CD1-CH2 3.47Å; F34-W47 VanDerWaalsContact CD1-CH2 3.47Å; F34-W47 HydrophobicContact CD1-CZ2 4.34Å; F34-W47 HydrophobicContact CD1-CZ3 4.09Å; F34-W47 HydrophobicContact CE1-CH2 4.37Å; F34-W47 AromaticContact CG-CH2 3.89Å; F34-W47 HydrophobicContact CG-CH2 3.89Å; N37-W47 PolarHBondContact ND2-N 2.87Å; N37-W47 PolarHBondContact ND2-O 3.32Å; Y45-W47 PolarHBondContact O-N 3.46Å; W47-L49 HydrophobicContact CZ3-CB 4.21Å; W47-L125 HydrophobicContact CH2-CD1 3.73Å; W47-L125 HydrophobicContact CZ3-CD1 3.56Å; W47-V160 HydrophobicContact CD2-CG1 4.35Å; W47-V160 HydrophobicContact CE3-CB 4.31Å; W47-V160 HydrophobicContact CE3-CG1 3.64Å; W47-V160 HydrophobicContact CZ3-CG1 4.07Å; W47-K161 CarbonylContact C-O 3.55Å; W47-K161 WeakPolarHBondContact CA-O 3.49Å; W47-Y162 HydrophobicContact CB-CD1 3.72Å; W47-Y162 HydrophobicContact CB-CE1 3.76Å; W47-Y162 HydrophobicContact CB-CG 4.13Å; W47-Y162 HydrophobicContact CG-CE1 4.25Å
48S78.9Confident75Confident62 Ų6257.8 Ų57.843%0.43428%0.282SS..EExtended strand (participates in β ladder)trans-116.2134.3170.760.20000109.8T50 V160 K161S48-T50 PolarHBondContact O-N 2.94Å; S48-V160 WeakPolarHBondContact O-CA 3.48Å; S48-K161 PolarHBondContact N-O 3.31Å; S48-K161 PolarHBondContact O-N 3.01Å; S48-K161 PolarHBondContact OG-O 2.74Å
49L83Confident76.8Confident22 Ų2251 Ų5112%0.11526%0.257CS..EExtended strand (participates in β ladder)trans-68.2121.1170.3-177.167.9000108.9F34 W47 G51 L91 L125 V158F34-L49 HydrophobicContact CE1-CD1 4.18Å; F34-L49 HydrophobicContact CZ-CD1 4.35Å; F34-L49 HydrophobicContact CZ-CD2 4.27Å; W47-L49 HydrophobicContact CZ3-CB 4.21Å; L49-G51 WeakPolarHBondContact CD1-O 3.44Å; L49-L91 HydrophobicContact CD2-CD1 3.7Å; L49-L91 HydrophobicContact CG-CD1 4.22Å; L49-L91 HydrophobicContact CG-CD2 4.4Å; L49-L125 HydrophobicContact CB-CD1 3.77Å; L49-L125 HydrophobicContact CB-CD2 4.37Å; L49-L125 HydrophobicContact CD2-CD2 3.75Å; L49-V158 HydrophobicContact CD1-CG1 3.48Å; L49-V158 VanDerWaalsContact CD1-CG1 3.48Å
50T83.6Confident78.7Confident41 Ų4143.8 Ų43.825%0.25222%0.219SC..EExtended strand (participates in β ladder)trans-107.6-16.9176.162.20000112.4S48 L91 Q159 K161S48-T50 PolarHBondContact O-N 2.94Å; T50-L91 WeakPolarHBondContact O-CD2 3.46Å; T50-Q159 PolarHBondContact N-O 3.45Å; T50-Q159 WeakPolarHBondContact OG1-CG 3.19Å; T50-Q159 PolarHBondContact OG1-O 2.76Å; T50-Q159 PolarHBondContact OG1-OE1 2.78Å; T50-K161 HydrophobicContact CG2-CB 3.57Å; T50-K161 HydrophobicContact CG2-CD 4.49Å
51G86.9Confident80.4Confident0 Ų045.7 Ų45.70%022%0.221CC..EExtended strand (participates in β ladder)trans-164.9145.2-177.900000113.4L49 L91 Q159L49-G51 WeakPolarHBondContact CD1-O 3.44Å; G51-L91 CarbonylContact C-O 3.56Å; G51-L91 VanDerWaalsContact CA-O 3.27Å; G51-L91 WeakPolarHBondContact CA-O 3.12Å; G51-Q159 PolarHBondContact N-O 3.35Å; G51-Q159 PolarHBondContact O-N 2.85Å
52I88.1Confident81.9Confident0 Ų039.3 Ų39.30%018%0.181CC..EExtended strand (participates in β ladder)trans-144.8124.8171.4-171171.5000110.4I32 F34 L91 V117 V129 L131 V156 A157 V158I32-I52 HydrophobicContact CD1-CD1 3.86Å; F34-I52 HydrophobicContact CZ-CD1 4.24Å; I52-L91 HydrophobicContact CG2-CB 4.17Å; I52-L91 HydrophobicContact CG2-CD1 4.16Å; I52-L91 PolarHBondContact N-O 2.82Å; I52-V117 HydrophobicContact CG2-CG2 4.21Å; I52-V129 HydrophobicContact CD1-CB 4.33Å; I52-V129 HydrophobicContact CD1-CG1 3.81Å; I52-L131 HydrophobicContact CD1-CD1 4.37Å; I52-V156 HydrophobicContact CD1-CG1 4.3Å; I52-V156 HydrophobicContact CG1-CG1 3.95Å; I52-A157 WeakPolarHBondContact CA-O 3.29Å; I52-V158 HydrophobicContact CD1-CG2 4.47Å; I52-V158 HydrophobicContact CG1-CG2 4.3Å
53V89.7Confident83.2Confident0 Ų035 Ų350%017%0.169CC..EExtended strand (participates in β ladder)trans-134.8126.2178.5-176.60000108.5W85 Y87 N92 F93 A95 F99 V156 A157V53-W85 HydrophobicContact CG1-CE3 3.82Å; V53-W85 HydrophobicContact CG1-CZ3 3.66Å; V53-Y87 HydrophobicContact CG1-CE2 4.24Å; V53-N92 WeakPolarHBondContact CG2-OD1 3.37Å; V53-F93 HydrophobicContact CB-CE1 4.38Å; V53-F93 HydrophobicContact CB-CZ 4.4Å; V53-F93 HydrophobicContact CG2-CD1 3.98Å; V53-F93 HydrophobicContact CG2-CE1 3.81Å; V53-F93 HydrophobicContact CG2-CZ 4.19Å; V53-A95 HydrophobicContact CB-CB 4.21Å; V53-A95 HydrophobicContact CG1-CB 4.31Å; V53-F99 HydrophobicContact CB-CZ 4.23Å; V53-F99 HydrophobicContact CG1-CE2 3.84Å; V53-F99 HydrophobicContact CG1-CZ 3.84Å; V53-V156 WeakPolarHBondContact O-CA 3.4Å; V53-V156 WeakPolarHBondContact O-CG1 3.44Å; V53-A157 PolarHBondContact N-O 2.84Å; V53-A157 PolarHBondContact O-N 2.75Å
54G91.5Very high83.6Confident0 Ų032 Ų320%016%0.157CC..EExtended strand (participates in β ladder)trans-118.2142.6176.900000111.5M115 V155G54-M115 WeakPolarHBondContact O-CB 3.47Å; G54-M115 PolarHBondContact O-N 2.79Å; G54-V155 WeakPolarHBondContact CA-O 3.27Å
55C92.4Very high84.2Confident0 Ų033.8 Ų33.80%016%0.163CC..EExtended strand (participates in β ladder)trans-144.5160.417068.50000111.8I57 W85 F99 I112 I113 V154 V155C55-I57 VanDerWaalsContact SG-CG1 3.54Å; C55-W85 HydrophobicContact CB-CH2 3.66Å; C55-W85 HydrophobicContact CB-CZ3 4.06Å; C55-F99 HydrophobicContact CB-CE2 4.27Å; C55-F99 HydrophobicContact CB-CZ 4.47Å; C55-F99 VanDerWaalsContact SG-CD2 3.56Å; C55-F99 VanDerWaalsContact SG-CE2 3.56Å; C55-I112 HydrophobicContact CB-CG2 4.07Å; C55-I113 CarbonylContact C-O 3.13Å; C55-I113 VanDerWaalsContact CA-O 3.26Å; C55-I113 WeakPolarHBondContact CA-O 3.47Å; C55-I113 WeakPolarHBondContact CB-O 3.49Å; C55-V154 WeakPolarHBondContact O-CA 3.25Å; C55-V155 PolarHBondContact N-O 3.16Å; C55-V155 PolarHBondContact O-N 3.01Å
56I93.9Very high84.2Confident0 Ų031.2 Ų31.20%015%0.154CC..EExtended strand (participates in β ladder)trans-98.9121.7167.2-53.2-179.6000107.1V28 I112 I113 M115 A133 L135 K153 V154 L176V28-I56 HydrophobicContact CB-CD1 3.96Å; V28-I56 HydrophobicContact CG1-CD1 4.09Å; V28-I56 HydrophobicContact CG2-CD1 4.02Å; I56-I112 WeakPolarHBondContact O-CA 3.3Å; I56-I113 HydrophobicContact CB-CB 4.18Å; I56-I113 HydrophobicContact CB-CD1 4.33Å; I56-I113 HydrophobicContact CG2-CD1 4.45Å; I56-I113 PolarHBondContact N-O 2.83Å; I56-I113 PolarHBondContact O-N 3.11Å; I56-M115 HydrophobicContact CG1-CG 4.03Å; I56-M115 HydrophobicContact CG1-SD 3.94Å; I56-A133 HydrophobicContact CD1-CB 4.11Å; I56-L135 HydrophobicContact CD1-CD2 3.66Å; I56-L135 HydrophobicContact CG2-CD2 4.42Å; I56-K153 WeakPolarHBondContact CA-O 3.39Å; I56-V154 HydrophobicContact CG1-CG2 4.28Å; I56-L176 HydrophobicContact CG2-CD2 4.16Å
57I92.4Very high83.8Confident1 Ų127.5 Ų27.51%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-107123.4178.2-56.2-175.7000108.6C55 F99 L103 L109 Y152 K153 V155C55-I57 VanDerWaalsContact SG-CG1 3.54Å; I57-F99 HydrophobicContact CD1-CB 3.84Å; I57-F99 HydrophobicContact CD1-CD1 4.47Å; I57-F99 HydrophobicContact CD1-CG 4.3Å; I57-L103 HydrophobicContact CG2-CD2 4.27Å; I57-L109 HydrophobicContact CG2-CD1 3.83Å; I57-Y152 WeakPolarHBondContact O-CA 3.37Å; I57-K153 HydrophobicContact CB-CG 4.41Å; I57-K153 PolarHBondContact N-O 2.89Å; I57-K153 PolarHBondContact O-N 3.26Å; I57-V155 HydrophobicContact CB-CG2 4.46Å; I57-V155 HydrophobicContact CD1-CB 4.04Å; I57-V155 HydrophobicContact CD1-CG2 3.64Å; I57-V155 HydrophobicContact CG1-CB 4.46Å; I57-V155 HydrophobicContact CG1-CG2 4.02Å
58G92.8Very high82.7Confident0 Ų029.7 Ų29.70%016%0.158CC..EExtended strand (participates in β ladder)trans-98.3131.7164.800000110.3I110 C111 A151G58-I110 PolarHBondContact O-N 3.11Å; G58-C111 PolarHBondContact N-O 3.42Å; G58-C111 PolarHBondContact O-N 2.83Å; G58-A151 WeakPolarHBondContact CA-O 3.35Å
59Q91.4Very high81.6Confident9 Ų931.8 Ų31.84%0.04217%0.168CC..EExtended strand (participates in β ladder)trans-127.8142.1175.366.3-179800111.4L103 E104 Q108 I110 A151Q59-L103 HydrophobicContact CB-CD2 3.84Å; Q59-E104 VanDerWaalsContact NE2-CD 3.3Å; Q59-E104 PolarHBondContact NE2-OE1 2.94Å; Q59-E104 VanDerWaalsContact OE1-N 3.13Å; Q59-Q108 CarbonylContact C-O 3.56Å; Q59-Q108 VanDerWaalsContact CA-O 3.25Å; Q59-Q108 WeakPolarHBondContact CA-O 3.36Å; Q59-I110 WeakPolarHBondContact O-CD1 3.36Å; Q59-A151 HydrophobicContact CG-CB 4.1Å; Q59-A151 PolarHBondContact N-O 2.82Å; Q59-A151 PolarHBondContact O-N 2.86Å
60C89.5Confident80.2Confident1 Ų133.3 Ų33.31%0.00718%0.175CC..EExtended strand (participates in β ladder)trans-113.1150.9171.876.30000111.1S107 Q108 I110 K149 F150 Y379C60-S107 CarbonylContact O-C 3.53Å; C60-S107 VanDerWaalsContact O-CA 3.24Å; C60-S107 WeakPolarHBondContact O-CA 3.44Å; C60-S107 WeakPolarHBondContact O-CB 3.32Å; C60-Q108 PolarHBondContact N-O 3.1Å; C60-Q108 PolarHBondContact O-N 2.93Å; C60-I110 HydrophobicContact CB-CD1 3.67Å; C60-I110 HydrophobicContact CB-CG1 3.57Å; C60-K149 CarbonylContact C-O 3.54Å; C60-K149 WeakPolarHBondContact CA-O 3.26Å; C60-F150 HydrophobicContact CB-CD1 4.37Å; C60-F150 HydrophobicContact CB-CE1 4.09Å; C60-F150 HydrophobicContact CB-CZ 4.2Å; C60-Y379 VanDerWaalsContact SG-CE2 3.58Å
61K89Confident78.8Confident75 Ų7539.1 Ų39.133%0.32621%0.205SC..EExtended strand (participates in β ladder)trans-130.1123.3168.7-176.9175.4-176.4165.30108.1F148 K149K61-F148 CarbonylContact O-C 3.5Å; K61-F148 VanDerWaalsContact O-CA 3.28Å; K61-F148 WeakPolarHBondContact O-CA 3.43Å; K61-K149 HydrophobicContact CB-CB 4.32Å; K61-K149 PolarHBondContact N-O 3.22Å; K61-K149 PolarHBondContact O-N 2.63Å
62L86.1Confident77.3Confident12 Ų1241.4 Ų41.46%0.06322%0.215CC..EExtended strand (participates in β ladder)trans-105.4148.7178-51.8179.4000109.7N64 L147 F148 F354 L447L62-N64 PolarHBondContact O-N 2.92Å; L62-N64 VanDerWaalsContact O-N 3.08Å; L62-L147 CarbonylContact C-O 3.59Å; L62-F148 HydrophobicContact CD2-CB 3.72Å; L62-F354 HydrophobicContact CD2-CE1 4.37Å; L62-L447 HydrophobicContact CD2-CD1 4.01Å; L62-L447 HydrophobicContact CD2-CD2 4.32Å
63D82.3Confident75.9Confident56 Ų5644.8 Ų44.830%0.29924%0.243SC..  trans-73.996.5167.8-175.615.1000110.6K65 Q66 L147D63-K65 PolarHBondContact O-N 2.82Å; D63-K65 WeakPolarHBondContact OD1-CB 3.34Å; D63-K65 PolarHBondContact OD1-N 2.83Å; D63-K65 VanDerWaalsContact OD1-N 3.07Å; D63-Q66 PolarHBondContact O-N 2.85Å; D63-L147 PolarHBondContact N-O 2.89Å
64N69Low74.4Confident64 Ų6447.4 Ų47.434%0.34226%0.261SS..Hα-helixtrans-63.4-18.4179.1-69.4-23.4000113.5L62 L67 S68L62-N64 PolarHBondContact O-N 2.92Å; L62-N64 VanDerWaalsContact O-N 3.08Å; N64-L67 PolarHBondContact O-N 2.88Å; N64-S68 WeakPolarHBondContact O-CB 3.48Å; N64-S68 PolarHBondContact O-N 2.78Å; N64-S68 PolarHBondContact O-OG 3.3Å
65K70.5Confident72.8Confident162 Ų16247.6 Ų47.670%0.70426%0.263SS*.Hα-helixtrans-61.6-48.8179.1-71.5-176.6178.7-178.90110.7D63 L67 S68 T69D63-K65 PolarHBondContact O-N 2.82Å; D63-K65 WeakPolarHBondContact OD1-CB 3.34Å; D63-K65 PolarHBondContact OD1-N 2.83Å; D63-K65 VanDerWaalsContact OD1-N 3.07Å; K65-L67 PolarHBondContact O-N 2.87Å; K65-S68 PolarHBondContact O-N 3.11Å; K65-S68 PolarHBondContact O-OG 3.36Å; K65-T69 WeakPolarHBondContact O-CG2 3.3Å; K65-T69 PolarHBondContact O-N 3.14Å; K65-T69 PolarHBondContact O-OG1 2.81Å; K65-T69 VanDerWaalsContact O-OG1 3.08Å
66Q64.4Low71.1Confident39 Ų3956.1 Ų56.118%0.18230%0.3CS..Hα-helixtrans-62-42.2175.7-68.9-78.3-29.600112D63 T69 Q70 L147 F354 S402D63-Q66 PolarHBondContact O-N 2.85Å; Q66-T69 VanDerWaalsContact C-OG1 3.32Å; Q66-T69 WeakPolarHBondContact CA-OG1 3.44Å; Q66-T69 PolarHBondContact O-OG1 3.11Å; Q66-Q70 PolarHBondContact O-OE1 2.89Å; Q66-L147 HydrophobicContact CG-CD2 4.31Å; Q66-F354 HydrophobicContact CB-CD2 4.36Å; Q66-F354 HydrophobicContact CB-CE2 4.07Å; Q66-S402 PolarHBondContact NE2-OG 2.89Å; Q66-S402 PolarHBondContact OE1-OG 2.99Å
67L64.2Low69.2Low5 Ų561 Ų613%0.02633%0.334CS..Hα-helixtrans-66.9-41.1179.6-162.168000112.2N64 K65 Q70 Q72 I445N64-L67 PolarHBondContact O-N 2.88Å; K65-L67 PolarHBondContact O-N 2.87Å; L67-Q70 PolarHBondContact O-N 3.11Å; L67-Q72 HydrophobicContact CD1-CB 3.62Å; L67-Q72 HydrophobicContact CD1-CG 4.5Å; L67-Q72 VanDerWaalsContact CD1-OE1 3.29Å; L67-Q72 HydrophobicContact CG-CB 3.72Å; L67-Q72 PolarHBondContact O-N 3.29Å; L67-Q72 VanDerWaalsContact O-N 3.15Å; L67-I445 HydrophobicContact CD1-CD1 3.73Å; L67-I445 HydrophobicContact CD2-CD1 4.16Å
68S56.7Low67.4Low75 Ų7564.6 Ų64.652%0.52435%0.353SS..Hα-helixtrans-71-36179.7690000113.1N64 K65 Q70 N71N64-S68 WeakPolarHBondContact O-CB 3.48Å; N64-S68 PolarHBondContact O-N 2.78Å; N64-S68 PolarHBondContact O-OG 3.3Å; K65-S68 PolarHBondContact O-N 3.11Å; K65-S68 PolarHBondContact O-OG 3.36Å; S68-Q70 PolarHBondContact O-N 3.27Å; S68-N71 PolarHBondContact O-N 2.92Å; S68-N71 VanDerWaalsContact O-N 3.15Å
69T56.1Low65.6Low105 Ų10569.7 Ų69.764%0.64439%0.388SS*.THydrogen-bonded Turntrans-60.4-13.5172.842.90000113.1K65 Q66K65-T69 WeakPolarHBondContact O-CG2 3.3Å; K65-T69 PolarHBondContact O-N 3.14Å; K65-T69 PolarHBondContact O-OG1 2.81Å; K65-T69 VanDerWaalsContact O-OG1 3.08Å; Q66-T69 VanDerWaalsContact C-OG1 3.32Å; Q66-T69 WeakPolarHBondContact CA-OG1 3.44Å; Q66-T69 PolarHBondContact O-OG1 3.11Å
70Q53.9Low64.3Low55 Ų5570.6 Ų70.626%0.25739%0.392SS..THydrogen-bonded Turntrans-114.916.7-176.7-66.1168.7-10.900112.9Q66 L67 S68 Q72Q66-Q70 PolarHBondContact O-OE1 2.89Å; L67-Q70 PolarHBondContact O-N 3.11Å; S68-Q70 PolarHBondContact O-N 3.27Å; Q70-Q72 PolarHBondContact O-N 2.62Å
71N53.4Low63Low163 Ų16373 Ų7387%0.87241%0.409SS*.THydrogen-bonded Turntrans57.531.1-179.4-63-38.5000114.1S68S68-N71 PolarHBondContact O-N 2.92Å; S68-N71 VanDerWaalsContact O-N 3.15Å
72Q55.9Low61.8Low48 Ų4869.4 Ų69.422%0.22439%0.393CS..  trans-106137-179.3-67.4-170.3-5.900112.5L67 Q70L67-Q72 HydrophobicContact CD1-CB 3.62Å; L67-Q72 HydrophobicContact CD1-CG 4.5Å; L67-Q72 VanDerWaalsContact CD1-OE1 3.29Å; L67-Q72 HydrophobicContact CG-CB 3.72Å; L67-Q72 PolarHBondContact O-N 3.29Å; L67-Q72 VanDerWaalsContact O-N 3.15Å; Q70-Q72 PolarHBondContact O-N 2.62Å
73A58.6Low60.6Low71 Ų7172.7 Ų72.759%0.58742%0.418SS*.PPolyproline II helixtrans-83141.817200000109.8P443A73-P443 WeakPolarHBondContact O-CD 3.48Å; A73-P443 WeakPolarHBondContact O-CG 3.24Å
74S58.4Low59.6Low54 Ų5477 Ų7738%0.37844%0.436SS..PPolyproline II helixtrans-63.8145169.983.40000109.6Q108S74-Q108 PolarHBondContact OG-NE2 3.33Å
75P58.6Low59.7Low5 Ų574.8 Ų74.83%0.03242%0.423CS..PPolyproline II helixtrans-48.7143.3176.2-29.934.6000112.7S77 I445P75-S77 PolarHBondContact O-N 2.95Å; P75-I445 HydrophobicContact CG-CD1 4.3Å
76K55.6Low59.2Low178 Ų17876 Ų7677%0.77443%0.428SS*.PPolyproline II helixtrans-62.2131.7-177.5-71.5-177.8-179.9177.90110.2L78K76-L78 PolarHBondContact O-N 3.21Å
77S55Low59.2Low104 Ų10475.6 Ų75.673%0.72743%0.425SS*.PPolyproline II helixtrans-65.9122.1168.156.80000109.6P75P75-S77 PolarHBondContact O-N 2.95Å
78L53.2Low58.8Low75 Ų7584.1 Ų84.139%0.39347%0.47SS..PPolyproline II helixtrans-81143.7173.1-86.4113.1000111.9K76 N378K76-L78 PolarHBondContact O-N 3.21Å; L78-N378 WeakPolarHBondContact CD1-ND2 3.38Å; L78-N378 WeakPolarHBondContact CD1-OD1 3.25Å
79S55.4Low58.9Low107 Ų10781.6 Ų81.675%0.74845%0.453SS*.PPolyproline II helixtrans-84.4139.8159.554.20000109.4
80F65.5Low59.4Low28 Ų2886 Ų8612%0.12347%0.466CS..  trans-130.3155.9169.669-85.1000109.2T82 G96 F99 I100 L109 I112F80-T82 HydrophobicContact CD2-CG2 4.34Å; F80-T82 HydrophobicContact CE2-CG2 4.03Å; F80-G96 WeakPolarHBondContact CZ-O 3.36Å; F80-F99 HydrophobicContact CE2-CB 4.1Å; F80-F99 HydrophobicContact CE2-CD2 4.07Å; F80-F99 HydrophobicContact CZ-CB 3.55Å; F80-F99 HydrophobicContact CZ-CD2 4.36Å; F80-F99 HydrophobicContact CZ-CG 4.49Å; F80-I100 HydrophobicContact CD1-CD1 4.07Å; F80-I100 HydrophobicContact CD1-CG1 3.94Å; F80-I100 HydrophobicContact CE1-CB 4.5Å; F80-I100 HydrophobicContact CE1-CD1 3.8Å; F80-I100 HydrophobicContact CE1-CG1 3.2Å; F80-I100 HydrophobicContact CZ-CD1 4.43Å; F80-I100 HydrophobicContact CZ-CG1 3.78Å; F80-L109 HydrophobicContact CD1-CD2 4.09Å; F80-L109 HydrophobicContact CE1-CD2 4.43Å; F80-I112 HydrophobicContact CB-CD1 4.33Å; F80-I112 HydrophobicContact CD1-CD1 3.16Å; F80-I112 HydrophobicContact CD2-CD1 3.65Å; F80-I112 HydrophobicContact CE1-CD1 3.07Å; F80-I112 HydrophobicContact CE2-CD1 3.59Å; F80-I112 HydrophobicContact CG-CD1 3.44Å; F80-I112 VanDerWaalsContact CG-CD1 3.44Å; F80-I112 HydrophobicContact CZ-CD1 3.3Å
81S61Low60.2Low51 Ų5184.8 Ų84.836%0.35746%0.461SS..  trans-120.7139.8173.6-178.70000108.9S83S81-S83 VanDerWaalsContact C-N 3.28Å; S81-S83 WeakPolarHBondContact OG-CB 3.48Å; S81-S83 PolarHBondContact OG-N 3.38Å; S81-S83 PolarHBondContact OG-OG 3.11Å
82T64.5Low61.3Low0 Ų079.8 Ų79.80%043%0.434CS..SBendtrans-88.90.1173.267.50000112.1F80 E84 W85 F93 D94 A95 F99F80-T82 HydrophobicContact CD2-CG2 4.34Å; F80-T82 HydrophobicContact CE2-CG2 4.03Å; T82-E84 PolarHBondContact O-N 2.93Å; T82-W85 HydrophobicContact CG2-CD2 4.29Å; T82-W85 HydrophobicContact CG2-CE3 3.84Å; T82-W85 HydrophobicContact CG2-CH2 3.74Å; T82-W85 HydrophobicContact CG2-CZ2 4.15Å; T82-W85 HydrophobicContact CG2-CZ3 3.59Å; T82-W85 PolarHBondContact O-N 3.43Å; T82-F93 PolarHBondContact OG1-O 3.2Å; T82-D94 WeakPolarHBondContact OG1-CA 3.45Å; T82-D94 PolarHBondContact OG1-OD1 3.22Å; T82-A95 HydrophobicContact CG2-CB 4.36Å; T82-A95 PolarHBondContact OG1-N 3.21Å; T82-F99 HydrophobicContact CG2-CD2 3.86Å; T82-F99 HydrophobicContact CG2-CE2 3.84Å
83S59.5Low62.4Low82 Ų8278.8 Ų78.857%0.57343%0.429SS*.THydrogen-bonded Turntrans-61.4-25.3-179.161.30000113.9S81S81-S83 VanDerWaalsContact C-N 3.28Å; S81-S83 WeakPolarHBondContact OG-CB 3.48Å; S81-S83 PolarHBondContact OG-N 3.38Å; S81-S83 PolarHBondContact OG-OG 3.11Å
84E62.9Low63.5Low146 Ų14680 Ų8068%0.68243%0.426SS*.THydrogen-bonded Turntrans-85.4-12.2-177.2-63.8-176.2170.700113.1T82 K86T82-E84 PolarHBondContact O-N 2.93Å; E84-K86 PolarHBondContact O-N 3.37Å
85W70.3Confident64.7Low17 Ų1777.5 Ų77.56%0.06441%0.408CS..  trans-72.1116.5-177.8-63.2-10.9000110.7V53 C55 T82 Y87 N92 F99 I112 P114V53-W85 HydrophobicContact CG1-CE3 3.82Å; V53-W85 HydrophobicContact CG1-CZ3 3.66Å; C55-W85 HydrophobicContact CB-CH2 3.66Å; C55-W85 HydrophobicContact CB-CZ3 4.06Å; T82-W85 HydrophobicContact CG2-CD2 4.29Å; T82-W85 HydrophobicContact CG2-CE3 3.84Å; T82-W85 HydrophobicContact CG2-CH2 3.74Å; T82-W85 HydrophobicContact CG2-CZ2 4.15Å; T82-W85 HydrophobicContact CG2-CZ3 3.59Å; T82-W85 PolarHBondContact O-N 3.43Å; W85-Y87 HydrophobicContact CB-CD2 4.3Å; W85-Y87 HydrophobicContact CB-CE2 3.67Å; W85-Y87 HydrophobicContact CE3-CE2 4.07Å; W85-Y87 AromaticContact CE3-CZ 3.9Å; W85-N92 PolarHBondContact O-ND2 2.72Å; W85-N92 VanDerWaalsContact O-ND2 3.14Å; W85-F99 HydrophobicContact CH2-CD2 4.49Å; W85-F99 HydrophobicContact CH2-CE2 4.15Å; W85-F99 AromaticContact CZ3-CE2 3.88Å; W85-F99 HydrophobicContact CZ3-CE2 3.88Å; W85-I112 HydrophobicContact CH2-CG2 3.8Å; W85-I112 HydrophobicContact CZ2-CG2 3.71Å; W85-P114 HydrophobicContact CD2-CB 3.83Å; W85-P114 HydrophobicContact CE3-CB 4.05Å; W85-P114 HydrophobicContact CG-CB 4.31Å; W85-P114 HydrophobicContact CH2-CB 4.19Å; W85-P114 HydrophobicContact CZ2-CB 4.01Å; W85-P114 HydrophobicContact CZ3-CB 4.2Å
86K60.2Low65.7Low189 Ų18977.3 Ų77.382%0.82241%0.407SS*.  trans-86.5113.6174.3-67.7-176.1-179.71790109.4E84E84-K86 PolarHBondContact O-N 3.37Å
87Y63.6Low66.9Low29 Ų2973 Ų7311%0.11440%0.4CS..  trans-109146.7170.2-63.7-70000109.9V53 W85 C89 N92 M115V53-Y87 HydrophobicContact CG1-CE2 4.24Å; W85-Y87 HydrophobicContact CB-CD2 4.3Å; W85-Y87 HydrophobicContact CB-CE2 3.67Å; W85-Y87 HydrophobicContact CE3-CE2 4.07Å; W85-Y87 AromaticContact CE3-CZ 3.9Å; Y87-C89 PolarHBondContact O-N 2.97Å; Y87-C89 VanDerWaalsContact O-N 3.1Å; Y87-N92 HydrophobicContact CD2-CB 4.31Å; Y87-M115 WeakPolarHBondContact CE1-O 3.34Å
88D57.5Low68.3Low184 Ų18469.8 Ų69.898%0.98437%0.374SS*.SBendtrans-72.35.5174-64.3-37.9000113
89C58.8Low69.8Low22 Ų2266.2 Ų66.215%0.14936%0.355CS..SBendtrans-120.2142.4-178.662.80000112.6Y87 L91 I120Y87-C89 PolarHBondContact O-N 2.97Å; Y87-C89 VanDerWaalsContact O-N 3.1Å; C89-L91 PolarHBondContact O-N 3.03Å; C89-L91 VanDerWaalsContact O-N 3.11Å; C89-I120 HydrophobicContact CB-CD1 3.32Å
90E65.6Low71.1Confident198 Ų19864.4 Ų64.493%0.92534%0.336SS*.SBendtrans-68.5-4.3175.9-63.2-176.6167.100113.9N92E90-N92 PolarHBondContact O-N 3.22Å; E90-N92 VanDerWaalsContact O-N 3.11Å
91L71.7Confident72.1Confident30 Ų3067.1 Ų67.116%0.15736%0.359CS..  trans-84.643-177.9-63.7178.2000113L49 T50 G51 I52 C89 I120L49-L91 HydrophobicContact CD2-CD1 3.7Å; L49-L91 HydrophobicContact CG-CD1 4.22Å; L49-L91 HydrophobicContact CG-CD2 4.4Å; T50-L91 WeakPolarHBondContact O-CD2 3.46Å; G51-L91 CarbonylContact C-O 3.56Å; G51-L91 VanDerWaalsContact CA-O 3.27Å; G51-L91 WeakPolarHBondContact CA-O 3.12Å; I52-L91 HydrophobicContact CG2-CB 4.17Å; I52-L91 HydrophobicContact CG2-CD1 4.16Å; I52-L91 PolarHBondContact N-O 2.82Å; C89-L91 PolarHBondContact O-N 3.03Å; C89-L91 VanDerWaalsContact O-N 3.11Å; L91-I120 HydrophobicContact CD1-CD1 3.76Å; L91-I120 HydrophobicContact CD1-CG1 4.29Å; L91-I120 HydrophobicContact CD1-CG2 4.01Å; L91-I120 HydrophobicContact CG-CD1 4.5Å
92N74.7Confident73.2Confident58 Ų5865.4 Ų65.431%0.3135%0.346SS..  trans-104.9144.9-179.2-16413.2000112.2V53 W85 Y87 E90V53-N92 WeakPolarHBondContact CG2-OD1 3.37Å; W85-N92 PolarHBondContact O-ND2 2.72Å; W85-N92 VanDerWaalsContact O-ND2 3.14Å; Y87-N92 HydrophobicContact CD2-CB 4.31Å; E90-N92 PolarHBondContact O-N 3.22Å; E90-N92 VanDerWaalsContact O-N 3.11Å
93F80.5Confident74.3Confident27 Ų2767.4 Ų67.412%0.11836%0.357CS..  trans-152.3161.9172.765.6-85.6000110.1V53 T82 A95 A157 Q159 M169V53-F93 HydrophobicContact CB-CE1 4.38Å; V53-F93 HydrophobicContact CB-CZ 4.4Å; V53-F93 HydrophobicContact CG2-CD1 3.98Å; V53-F93 HydrophobicContact CG2-CE1 3.81Å; V53-F93 HydrophobicContact CG2-CZ 4.19Å; T82-F93 PolarHBondContact OG1-O 3.2Å; F93-A95 HydrophobicContact CD2-CB 4.14Å; F93-A95 HydrophobicContact CE2-CB 3.48Å; F93-A95 VanDerWaalsContact CE2-CB 3.48Å; F93-A95 HydrophobicContact CZ-CB 4.08Å; F93-A95 PolarHBondContact O-N 2.84Å; F93-A95 VanDerWaalsContact O-N 3.11Å; F93-A157 HydrophobicContact CE2-CB 4.15Å; F93-A157 HydrophobicContact CZ-CB 3.62Å; F93-Q159 HydrophobicContact CD1-CB 3.93Å; F93-Q159 HydrophobicContact CE1-CB 3.81Å; F93-Q159 HydrophobicContact CG-CB 4.48Å; F93-Q159 HydrophobicContact CZ-CB 4.31Å; F93-M169 HydrophobicContact CD2-CE 3.52Å; F93-M169 HydrophobicContact CE1-CE 4.14Å; F93-M169 HydrophobicContact CE2-CE 2.96Å; F93-M169 HydrophobicContact CG-CE 4.33Å; F93-M169 HydrophobicContact CZ-CE 3.31Å
94D81Confident75.5Confident97 Ų9768.6 Ų68.652%0.51935%0.353SS..  trans-73105.5175.5-17616.9000111.1T82 G96T82-D94 WeakPolarHBondContact OG1-CA 3.45Å; T82-D94 PolarHBondContact OG1-OD1 3.22Å; D94-G96 PolarHBondContact OD1-N 2.79Å
95A82.9Confident76.4Confident0 Ų066.1 Ų66.10%035%0.352CS..  trans-102.83.7178.900000112.3V53 T82 F93 S97 L98 F99 A157V53-A95 HydrophobicContact CB-CB 4.21Å; V53-A95 HydrophobicContact CG1-CB 4.31Å; T82-A95 HydrophobicContact CG2-CB 4.36Å; T82-A95 PolarHBondContact OG1-N 3.21Å; F93-A95 HydrophobicContact CD2-CB 4.14Å; F93-A95 HydrophobicContact CE2-CB 3.48Å; F93-A95 VanDerWaalsContact CE2-CB 3.48Å; F93-A95 HydrophobicContact CZ-CB 4.08Å; F93-A95 PolarHBondContact O-N 2.84Å; F93-A95 VanDerWaalsContact O-N 3.11Å; A95-S97 PolarHBondContact O-N 2.9Å; A95-L98 WeakPolarHBondContact O-CB 3.5Å; A95-L98 PolarHBondContact O-N 2.81Å; A95-L98 VanDerWaalsContact O-N 3.11Å; A95-F99 HydrophobicContact CB-CD2 3.99Å; A95-F99 HydrophobicContact CB-CE1 4.33Å; A95-F99 HydrophobicContact CB-CE2 3.55Å; A95-F99 HydrophobicContact CB-CZ 3.74Å; A95-F99 WeakPolarHBondContact O-CD2 3.5Å; A95-F99 WeakPolarHBondContact O-CG 3.45Å; A95-F99 PolarHBondContact O-N 2.84Å; A95-A157 HydrophobicContact CB-CB 4.07Å
96G80.4Confident77Confident1 Ų173.4 Ų73.41%0.0138%0.384CS..Hα-helixtrans-57-49-171.900000113.1F80 D94 L98 F99 I100F80-G96 WeakPolarHBondContact CZ-O 3.36Å; D94-G96 PolarHBondContact OD1-N 2.79Å; G96-L98 VanDerWaalsContact C-N 3.32Å; G96-L98 PolarHBondContact O-N 3.05Å; G96-F99 PolarHBondContact O-N 3.28Å; G96-I100 VanDerWaalsContact O-CG1 3.32Å; G96-I100 WeakPolarHBondContact O-CG1 3.2Å; G96-I100 PolarHBondContact O-N 2.82Å
97S81.2Confident78.2Confident88 Ų8865.4 Ų65.462%0.61535%0.352SS*.Hα-helixtrans-61.1-38.5177.360.50000113A95 I100 S101A95-S97 PolarHBondContact O-N 2.9Å; S97-I100 PolarHBondContact O-N 2.88Å; S97-S101 WeakPolarHBondContact O-CB 3.48Å; S97-S101 PolarHBondContact O-N 3.24Å
98L83.4Confident79.1Confident36 Ų3665 Ų6519%0.18835%0.351CS..Hα-helixtrans-68.1-43.6179.4-173.959.3000111.1A95 G96 S101 T102 A157 M169 T171A95-L98 WeakPolarHBondContact O-CB 3.5Å; A95-L98 PolarHBondContact O-N 2.81Å; A95-L98 VanDerWaalsContact O-N 3.11Å; G96-L98 VanDerWaalsContact C-N 3.32Å; G96-L98 PolarHBondContact O-N 3.05Å; L98-S101 WeakPolarHBondContact O-CB 3.48Å; L98-S101 PolarHBondContact O-N 3.02Å; L98-S101 PolarHBondContact O-OG 3.04Å; L98-T102 WeakPolarHBondContact O-CG2 3.36Å; L98-T102 PolarHBondContact O-N 2.67Å; L98-A157 HydrophobicContact CD2-CB 3.57Å; L98-M169 HydrophobicContact CD2-CB 4.33Å; L98-M169 HydrophobicContact CD2-CE 4.35Å; L98-T171 WeakPolarHBondContact CD1-OG1 2.93Å; L98-T171 VanDerWaalsContact CD2-OG1 3.3Å; L98-T171 WeakPolarHBondContact CD2-OG1 3.49Å; L98-T171 WeakPolarHBondContact CG-OG1 3.24Å
99F85.9Confident80.4Confident0 Ų056.7 Ų56.70%031%0.307CS..Hα-helixtrans-63.8-41.7174.9-68.9-28.3000112V53 C55 I57 F80 T82 W85 A95 G96 S101 T102 V155 A157V53-F99 HydrophobicContact CB-CZ 4.23Å; V53-F99 HydrophobicContact CG1-CE2 3.84Å; V53-F99 HydrophobicContact CG1-CZ 3.84Å; C55-F99 HydrophobicContact CB-CE2 4.27Å; C55-F99 HydrophobicContact CB-CZ 4.47Å; C55-F99 VanDerWaalsContact SG-CD2 3.56Å; C55-F99 VanDerWaalsContact SG-CE2 3.56Å; I57-F99 HydrophobicContact CD1-CB 3.84Å; I57-F99 HydrophobicContact CD1-CD1 4.47Å; I57-F99 HydrophobicContact CD1-CG 4.3Å; F80-F99 HydrophobicContact CE2-CB 4.1Å; F80-F99 HydrophobicContact CE2-CD2 4.07Å; F80-F99 HydrophobicContact CZ-CB 3.55Å; F80-F99 HydrophobicContact CZ-CD2 4.36Å; F80-F99 HydrophobicContact CZ-CG 4.49Å; T82-F99 HydrophobicContact CG2-CD2 3.86Å; T82-F99 HydrophobicContact CG2-CE2 3.84Å; W85-F99 HydrophobicContact CH2-CD2 4.49Å; W85-F99 HydrophobicContact CH2-CE2 4.15Å; W85-F99 AromaticContact CZ3-CE2 3.88Å; W85-F99 HydrophobicContact CZ3-CE2 3.88Å; A95-F99 HydrophobicContact CB-CD2 3.99Å; A95-F99 HydrophobicContact CB-CE1 4.33Å; A95-F99 HydrophobicContact CB-CE2 3.55Å; A95-F99 HydrophobicContact CB-CZ 3.74Å; A95-F99 WeakPolarHBondContact O-CD2 3.5Å; A95-F99 WeakPolarHBondContact O-CG 3.45Å; A95-F99 PolarHBondContact O-N 2.84Å; G96-F99 PolarHBondContact O-N 3.28Å; F99-S101 VanDerWaalsContact C-N 3.29Å; F99-S101 PolarHBondContact O-N 2.96Å; F99-T102 WeakPolarHBondContact O-CB 3.49Å; F99-T102 PolarHBondContact O-N 3.41Å; F99-T102 VanDerWaalsContact O-N 3.11Å; F99-T102 PolarHBondContact O-OG1 3.38Å; F99-V155 HydrophobicContact CD1-CB 4.05Å; F99-V155 HydrophobicContact CD1-CG1 3.56Å; F99-V155 HydrophobicContact CE1-CB 4.18Å; F99-V155 HydrophobicContact CE1-CG1 3.78Å; F99-A157 HydrophobicContact CE1-CB 3.79Å; F99-A157 HydrophobicContact CZ-CB 4.11Å
100I81.9Confident81.6Confident69 Ų6955.7 Ų55.735%0.35430%0.3SS..Hα-helixtrans-59.9-41.7172.9-66.5166.7000110.7F80 G96 S97 T102 L103F80-I100 HydrophobicContact CD1-CD1 4.07Å; F80-I100 HydrophobicContact CD1-CG1 3.94Å; F80-I100 HydrophobicContact CE1-CB 4.5Å; F80-I100 HydrophobicContact CE1-CD1 3.8Å; F80-I100 HydrophobicContact CE1-CG1 3.2Å; F80-I100 HydrophobicContact CZ-CD1 4.43Å; F80-I100 HydrophobicContact CZ-CG1 3.78Å; G96-I100 VanDerWaalsContact O-CG1 3.32Å; G96-I100 WeakPolarHBondContact O-CG1 3.2Å; G96-I100 PolarHBondContact O-N 2.82Å; S97-I100 PolarHBondContact O-N 2.88Å; I100-T102 PolarHBondContact O-N 2.7Å; I100-T102 VanDerWaalsContact O-N 3.11Å; I100-L103 HydrophobicContact CB-CD1 4.39Å; I100-L103 HydrophobicContact CG2-CD1 4.13Å; I100-L103 WeakPolarHBondContact O-CB 3.5Å; I100-L103 WeakPolarHBondContact O-CD1 3.3Å; I100-L103 PolarHBondContact O-N 2.84Å
101S85.9Confident82.5Confident85 Ų8546.2 Ų46.259%0.59426%0.256SS*.Hα-helixtrans-62.4-20.117981.10000113.6S97 L98 F99 L103S97-S101 WeakPolarHBondContact O-CB 3.48Å; S97-S101 PolarHBondContact O-N 3.24Å; L98-S101 WeakPolarHBondContact O-CB 3.48Å; L98-S101 PolarHBondContact O-N 3.02Å; L98-S101 PolarHBondContact O-OG 3.04Å; F99-S101 VanDerWaalsContact C-N 3.29Å; F99-S101 PolarHBondContact O-N 2.96Å; S101-L103 VanDerWaalsContact C-N 3.34Å
102T85.6Confident83.3Confident15 Ų1544.9 Ų44.99%0.09225%0.249CC..THydrogen-bonded Turntrans-78.8-15.4176.474.50000113.7L98 F99 I100 K153 V155 T171L98-T102 WeakPolarHBondContact O-CG2 3.36Å; L98-T102 PolarHBondContact O-N 2.67Å; F99-T102 WeakPolarHBondContact O-CB 3.49Å; F99-T102 PolarHBondContact O-N 3.41Å; F99-T102 VanDerWaalsContact O-N 3.11Å; F99-T102 PolarHBondContact O-OG1 3.38Å; I100-T102 PolarHBondContact O-N 2.7Å; I100-T102 VanDerWaalsContact O-N 3.11Å; T102-K153 PolarHBondContact O-NZ 3.01Å; T102-V155 HydrophobicContact CG2-CG1 3.86Å; T102-T171 HydrophobicContact CG2-CG2 3.96Å
103L86Confident84Confident42 Ų4242.2 Ų42.222%0.2224%0.235CC..SBendtrans-62.6141.5-179.3-74151.8000110.7I57 Q59 I100 S101 L109I57-L103 HydrophobicContact CG2-CD2 4.27Å; Q59-L103 HydrophobicContact CB-CD2 3.84Å; I100-L103 HydrophobicContact CB-CD1 4.39Å; I100-L103 HydrophobicContact CG2-CD1 4.13Å; I100-L103 WeakPolarHBondContact O-CB 3.5Å; I100-L103 WeakPolarHBondContact O-CD1 3.3Å; I100-L103 PolarHBondContact O-N 2.84Å; S101-L103 VanDerWaalsContact C-N 3.34Å; L103-L109 HydrophobicContact CD2-CD1 4.2Å
104E86.5Confident84.4Confident108 Ų10841.6 Ų41.651%0.50523%0.233SC..PPolyproline II helixtrans-66.7150.6175.7-74.6177.9-151.900111.6Q59 K106 S107Q59-E104 VanDerWaalsContact NE2-CD 3.3Å; Q59-E104 PolarHBondContact NE2-OE1 2.94Å; Q59-E104 VanDerWaalsContact OE1-N 3.13Å; E104-K106 PolarHBondContact O-N 3.29Å; E104-S107 PolarHBondContact N-OG 2.87Å; E104-S107 VanDerWaalsContact O-CB 3.3Å; E104-S107 WeakPolarHBondContact O-CB 3.41Å; E104-S107 PolarHBondContact O-N 2.97Å; E104-S107 PolarHBondContact O-OG 3.05Å
105S81.8Confident84.9Confident94 Ų9437 Ų3766%0.65721%0.209SC*.THydrogen-bonded Turntrans-55.3132.3174.167.30000111.5S107S105-S107 PolarHBondContact O-N 2.83Å
106K81.1Confident85Confident169 Ų16941.3 Ų41.374%0.73523%0.229SC*.THydrogen-bonded Turntrans64.313.1-177.7-48.9176.1178.41790114.6E104E104-K106 PolarHBondContact O-N 3.29Å
107S85.5Confident85.2Confident22 Ų2242.5 Ų42.515%0.15424%0.236CC..  trans-84.6156.4170700000110.9C60 E104 S105C60-S107 CarbonylContact O-C 3.53Å; C60-S107 VanDerWaalsContact O-CA 3.24Å; C60-S107 WeakPolarHBondContact O-CA 3.44Å; C60-S107 WeakPolarHBondContact O-CB 3.32Å; E104-S107 PolarHBondContact N-OG 2.87Å; E104-S107 VanDerWaalsContact O-CB 3.3Å; E104-S107 WeakPolarHBondContact O-CB 3.41Å; E104-S107 PolarHBondContact O-N 2.97Å; E104-S107 PolarHBondContact O-OG 3.05Å; S105-S107 PolarHBondContact O-N 2.83Å
108Q83.5Confident84.9Confident20 Ų2044.6 Ų44.69%0.09323%0.234CC..EExtended strand (participates in β ladder)trans-113.3149.3170.9-65.4169.47.700109.2Q59 C60 S74 I110Q59-Q108 CarbonylContact C-O 3.56Å; Q59-Q108 VanDerWaalsContact CA-O 3.25Å; Q59-Q108 WeakPolarHBondContact CA-O 3.36Å; C60-Q108 PolarHBondContact N-O 3.1Å; C60-Q108 PolarHBondContact O-N 2.93Å; S74-Q108 PolarHBondContact OG-NE2 3.33Å; Q108-I110 PolarHBondContact O-N 2.93Å
109L84.6Confident84.2Confident10 Ų1046.4 Ų46.45%0.05225%0.246CC..EExtended strand (participates in β ladder)trans-72124.4174.2-173.868.8000109.7I57 F80 L103 I112 N378I57-L109 HydrophobicContact CG2-CD1 3.83Å; F80-L109 HydrophobicContact CD1-CD2 4.09Å; F80-L109 HydrophobicContact CE1-CD2 4.43Å; L103-L109 HydrophobicContact CD2-CD1 4.2Å; L109-I112 HydrophobicContact CD1-CD1 3.84Å; L109-I112 HydrophobicContact CD1-CG1 3.61Å; L109-I112 HydrophobicContact CD2-CD1 3.54Å; L109-I112 HydrophobicContact CD2-CG1 3.84Å; L109-I112 HydrophobicContact CG-CD1 4.25Å; L109-I112 HydrophobicContact CG-CG1 4.13Å; L109-N378 PolarHBondContact O-ND2 2.95Å
110I83Confident83.1Confident0 Ų049 Ų490%026%0.26CS..EExtended strand (participates in β ladder)trans-89.7-53.7169.8-61.8157.1000109.7G58 Q59 C60 Q108 F150 Q377 N378 Y379G58-I110 PolarHBondContact O-N 3.11Å; Q59-I110 WeakPolarHBondContact O-CD1 3.36Å; C60-I110 HydrophobicContact CB-CD1 3.67Å; C60-I110 HydrophobicContact CB-CG1 3.57Å; Q108-I110 PolarHBondContact O-N 2.93Å; I110-F150 HydrophobicContact CD1-CB 4.45Å; I110-F150 HydrophobicContact CD1-CD1 3.17Å; I110-F150 HydrophobicContact CD1-CE1 3.52Å; I110-F150 HydrophobicContact CD1-CG 4.11Å; I110-F150 HydrophobicContact CG1-CD1 4.13Å; I110-F150 HydrophobicContact CG1-CE1 3.97Å; I110-Q377 CarbonylContact O-C 3.58Å; I110-Q377 WeakPolarHBondContact O-CA 2.9Å; I110-N378 PolarHBondContact O-N 2.92Å; I110-Y379 HydrophobicContact CB-CD2 4.39Å; I110-Y379 HydrophobicContact CG1-CD2 3.97Å; I110-Y379 HydrophobicContact CG2-CD2 4.22Å; I110-Y379 HydrophobicContact CG2-CG 4.48Å
111C86.1Confident81.9Confident0 Ų046.8 Ų46.80%025%0.249CC..EExtended strand (participates in β ladder)trans-154.2158.5-177.267.80000112.9G58 L139 V376 Q377G58-C111 PolarHBondContact N-O 3.42Å; G58-C111 PolarHBondContact O-N 2.83Å; C111-L139 HydrophobicContact CB-CD2 4.32Å; C111-V376 CarbonylContact C-O 3.6Å; C111-V376 WeakPolarHBondContact CA-O 3.35Å; C111-V376 WeakPolarHBondContact CB-O 3.41Å; C111-Q377 HydrophobicContact CB-CG 4.05Å
112I88.3Confident80.3Confident2 Ų249.8 Ų49.81%0.0126%0.259CS..EExtended strand (participates in β ladder)trans-134.2124.7170.3-59-178.6000107.7C55 I56 F80 W85 L109 V376C55-I112 HydrophobicContact CB-CG2 4.07Å; I56-I112 WeakPolarHBondContact O-CA 3.3Å; F80-I112 HydrophobicContact CB-CD1 4.33Å; F80-I112 HydrophobicContact CD1-CD1 3.16Å; F80-I112 HydrophobicContact CD2-CD1 3.65Å; F80-I112 HydrophobicContact CE1-CD1 3.07Å; F80-I112 HydrophobicContact CE2-CD1 3.59Å; F80-I112 HydrophobicContact CG-CD1 3.44Å; F80-I112 VanDerWaalsContact CG-CD1 3.44Å; F80-I112 HydrophobicContact CZ-CD1 3.3Å; W85-I112 HydrophobicContact CH2-CG2 3.8Å; W85-I112 HydrophobicContact CZ2-CG2 3.71Å; L109-I112 HydrophobicContact CD1-CD1 3.84Å; L109-I112 HydrophobicContact CD1-CG1 3.61Å; L109-I112 HydrophobicContact CD2-CD1 3.54Å; L109-I112 HydrophobicContact CD2-CG1 3.84Å; L109-I112 HydrophobicContact CG-CD1 4.25Å; L109-I112 HydrophobicContact CG-CG1 4.13Å; I112-V376 PolarHBondContact N-O 3.35Å; I112-V376 PolarHBondContact O-N 3.4Å
113I89.5Confident78.7Confident2 Ų257.6 Ų57.61%0.0130%0.3CS..EExtended strand (participates in β ladder)trans-119.7113.8178.9-54.2154.9000107.1C55 I56 A133 L135 P136 L139 E375C55-I113 CarbonylContact C-O 3.13Å; C55-I113 VanDerWaalsContact CA-O 3.26Å; C55-I113 WeakPolarHBondContact CA-O 3.47Å; C55-I113 WeakPolarHBondContact CB-O 3.49Å; I56-I113 HydrophobicContact CB-CB 4.18Å; I56-I113 HydrophobicContact CB-CD1 4.33Å; I56-I113 HydrophobicContact CG2-CD1 4.45Å; I56-I113 PolarHBondContact N-O 2.83Å; I56-I113 PolarHBondContact O-N 3.11Å; I113-A133 HydrophobicContact CG2-CB 3.95Å; I113-L135 HydrophobicContact CD1-CD2 3.97Å; I113-P136 HydrophobicContact CD1-CG 4.07Å; I113-P136 HydrophobicContact CG1-CG 4.28Å; I113-L139 HydrophobicContact CD1-CD1 4.15Å; I113-E375 HydrophobicContact CG2-CG 4.47Å
114P88.9Confident77.1Confident14 Ų1463.8 Ų63.89%0.09132%0.32CS..EExtended strand (participates in β ladder)trans-64.1140.5176.425.4-31.6000110.6W85 D374W85-P114 HydrophobicContact CD2-CB 3.83Å; W85-P114 HydrophobicContact CE3-CB 4.05Å; W85-P114 HydrophobicContact CG-CB 4.31Å; W85-P114 HydrophobicContact CH2-CB 4.19Å; W85-P114 HydrophobicContact CZ2-CB 4.01Å; W85-P114 HydrophobicContact CZ3-CB 4.2Å; P114-D374 HydrophobicContact CG-CB 4.21Å
115M90.4Very high75.7Confident0 Ų060.5 Ų60.50%031%0.306CS..EExtended strand (participates in β ladder)trans-102.4130.2173.2-60.9-178.380.100110.4V28 C30 G54 I56 Y87 L131 C132 A133 V154V28-M115 HydrophobicContact CG1-CE 4.23Å; C30-M115 HydrophobicContact CB-CE 3.9Å; G54-M115 WeakPolarHBondContact O-CB 3.47Å; G54-M115 PolarHBondContact O-N 2.79Å; I56-M115 HydrophobicContact CG1-CG 4.03Å; I56-M115 HydrophobicContact CG1-SD 3.94Å; Y87-M115 WeakPolarHBondContact CE1-O 3.34Å; M115-L131 HydrophobicContact CB-CB 4.14Å; M115-L131 HydrophobicContact CB-CD2 4.21Å; M115-L131 HydrophobicContact CE-CB 3.96Å; M115-L131 VanDerWaalsContact CE-O 3.32Å; M115-L131 WeakPolarHBondContact CE-O 3.3Å; M115-L131 HydrophobicContact SD-CB 4.34Å; M115-C132 CarbonylContact C-O 3.6Å; M115-C132 WeakPolarHBondContact CA-O 3.42Å; M115-A133 HydrophobicContact CB-CB 4.43Å; M115-A133 HydrophobicContact CG-CB 3.87Å; M115-V154 HydrophobicContact CE-CG1 4.36Å; M115-V154 HydrophobicContact SD-CG1 3.55Å; M115-V154 VanDerWaalsContact SD-CG1 3.55Å; M115-V154 HydrophobicContact SD-CG2 4.39Å
116H86.4Confident74.8Confident90 Ų9063.4 Ų63.442%0.41731%0.307SS..EExtended strand (participates in β ladder)trans-79.2138175.8-61.6-83.6000110.9L131 C132H116-L131 CarbonylContact O-C 3.58Å; H116-L131 WeakPolarHBondContact O-CA 3.43Å; H116-C132 PolarHBondContact N-O 3.49Å; H116-C132 PolarHBondContact O-N 3.17Å
117V83.3Confident74.4Confident26 Ų2656.9 Ų56.916%0.15829%0.288CS..EExtended strand (participates in β ladder)trans-84.6112.6173.6-171.60000108.4I52 I120 V129 L131I52-V117 HydrophobicContact CG2-CG2 4.21Å; V117-I120 HydrophobicContact CG1-CD1 3.93Å; V117-I120 HydrophobicContact CG1-CG1 3.51Å; V117-V129 HydrophobicContact CG1-CG1 3.75Å; V117-L131 HydrophobicContact CB-CD2 4.42Å; V117-L131 HydrophobicContact CG2-CD2 3.58Å
118K75.3Confident74.2Confident132 Ų13258 Ų5857%0.57430%0.295SS*.EExtended strand (participates in β ladder)trans-85.6-37.8-178-83.2-175.1165.9-178.30113.7F27 N130 C132F27-K118 VanDerWaalsContact CZ-NZ 3.34Å; K118-N130 PolarHBondContact N-O 3.4Å; K118-C132 WeakPolarHBondContact CD-SG 3.33Å; K118-C132 WeakPolarHBondContact CE-SG 3.13Å
119V68.8Low74.4Confident75 Ų7557 Ų5746%0.45529%0.29SS..EExtended strand (participates in β ladder)trans-139.8115.8-173.7-177.30000108.7V129V119-V129 WeakPolarHBondContact O-CA 3.43Å
120I62.8Low74.6Confident55 Ų5558.2 Ų58.228%0.28230%0.297SS..  trans-107.8110.7163.8-59.8158.5000105.2C89 L91 V117 N122C89-I120 HydrophobicContact CB-CD1 3.32Å; L91-I120 HydrophobicContact CD1-CD1 3.76Å; L91-I120 HydrophobicContact CD1-CG1 4.29Å; L91-I120 HydrophobicContact CD1-CG2 4.01Å; L91-I120 HydrophobicContact CG-CD1 4.5Å; V117-I120 HydrophobicContact CG1-CD1 3.93Å; V117-I120 HydrophobicContact CG1-CG1 3.51Å; I120-N122 PolarHBondContact O-N 3.33Å; I120-N122 VanDerWaalsContact O-N 3.16Å
121P56.8Low75Confident21 Ų2158.2 Ų58.214%0.13630%0.297CS..  trans-58.5126.1171.616.9-20.4000108.1K126 G127P121-K126 WeakPolarHBondContact CB-O 3.2Å; P121-G127 WeakPolarHBondContact CG-O 3.48Å
122N52.2Low75.2Confident149 Ų14958.5 Ų58.580%0.79730%0.298SS*.Hα-helixtrans-32.1144.1177.8-76.9-19.3000112.4I120 R124 L125I120-N122 PolarHBondContact O-N 3.33Å; I120-N122 VanDerWaalsContact O-N 3.16Å; N122-R124 CarbonylContact O-C 3.56Å; N122-R124 WeakPolarHBondContact O-CA 3.45Å; N122-R124 PolarHBondContact O-N 3.4Å; N122-L125 PolarHBondContact O-N 3.39Å; N122-L125 VanDerWaalsContact O-N 3.13Å
123N51.9Low75.3Confident178 Ų17858.6 Ų58.695%0.95230%0.3SS*.Hα-helixtrans-3.9-25.8178.2-97.6-9000121.1
124R53.1Low75.3Confident173 Ų17364.7 Ų64.765%0.65332%0.323SS*.Hα-helixtrans-89.83.5174-65-169-176.8-170.62.8115.2W38 N122 K126W38-R124 HydrophobicContact CH2-CB 4.16Å; W38-R124 HydrophobicContact CH2-CG 4.07Å; W38-R124 HydrophobicContact CZ2-CB 3.84Å; W38-R124 HydrophobicContact CZ2-CG 4.28Å; W38-R124 WeakPolarHBondContact CZ2-O 3.12Å; N122-R124 CarbonylContact O-C 3.56Å; N122-R124 WeakPolarHBondContact O-CA 3.45Å; N122-R124 PolarHBondContact O-N 3.4Å; R124-K126 PolarHBondContact O-N 2.7Å
125L57Low75.3Confident39 Ų3964.2 Ų64.220%0.20432%0.32CS..Hα-helixtrans44.642.3175.6-67.6165.6000113.7W47 L49 N122 G127W47-L125 HydrophobicContact CH2-CD1 3.73Å; W47-L125 HydrophobicContact CZ3-CD1 3.56Å; L49-L125 HydrophobicContact CB-CD1 3.77Å; L49-L125 HydrophobicContact CB-CD2 4.37Å; L49-L125 HydrophobicContact CD2-CD2 3.75Å; N122-L125 PolarHBondContact O-N 3.39Å; N122-L125 VanDerWaalsContact O-N 3.13Å; L125-G127 PolarHBondContact O-N 3.33Å
126K61.6Low74.9Confident154 Ų15464.9 Ų64.967%0.6732%0.324SS*.  trans-86.183.8175.2-75.3-168.3175.3-170.60109.2P121 R124P121-K126 WeakPolarHBondContact CB-O 3.2Å; R124-K126 PolarHBondContact O-N 2.7Å
127G72.6Confident74.6Confident33 Ų3365.5 Ų65.534%0.3432%0.324SS..SBendtrans136.5174172.800000113.3P121 L125P121-G127 WeakPolarHBondContact CG-O 3.48Å; L125-G127 PolarHBondContact O-N 3.33Å
128P82.4Confident74.4Confident45 Ų4565.2 Ų65.229%0.29232%0.321SS..PPolyproline II helixtrans-74.3151.5178.530.5-33.4000111.9E31 I32E31-P128 HydrophobicContact CG-CB 3.33Å; E31-P128 HydrophobicContact CG-CG 3.96Å; I32-P128 CarbonylContact O-C 3.56Å; I32-P128 WeakPolarHBondContact O-CA 3.26Å; I32-P128 WeakPolarHBondContact O-CB 3.48Å
129V86.4Confident74.9Confident0 Ų059 Ų590%029%0.294CS..EExtended strand (participates in β ladder)trans-97.7128.8168.9174.30000108.7I32 F34 I52 V117 V119I32-V129 PolarHBondContact N-O 2.83Å; I32-V129 PolarHBondContact O-N 2.96Å; F34-V129 HydrophobicContact CD2-CG2 4.47Å; F34-V129 HydrophobicContact CE2-CB 4.09Å; F34-V129 HydrophobicContact CE2-CG2 3.62Å; F34-V129 HydrophobicContact CZ-CG2 4.43Å; I52-V129 HydrophobicContact CD1-CB 4.33Å; I52-V129 HydrophobicContact CD1-CG1 3.81Å; V117-V129 HydrophobicContact CG1-CG1 3.75Å; V119-V129 WeakPolarHBondContact O-CA 3.43Å
130N89.6Confident75.9Confident35 Ų3555.4 Ų55.419%0.18727%0.273CS..EExtended strand (participates in β ladder)trans-102.6123.6179.1-71.9-44.7000110.9C30 K118C30-N130 WeakPolarHBondContact O-CA 2.86Å; K118-N130 PolarHBondContact N-O 3.4Å
131L90.8Very high77.3Confident0 Ų052.8 Ų52.80%026%0.259CS..EExtended strand (participates in β ladder)trans-108.8137.1172.7-73.2153.8000109N29 C30 I32 I52 M115 H116 V117 V156N29-L131 WeakPolarHBondContact CA-O 3.32Å; N29-L131 PolarHBondContact OD1-O 3.44Å; C30-L131 HydrophobicContact CB-CB 4.32Å; C30-L131 PolarHBondContact N-O 3.13Å; C30-L131 PolarHBondContact O-N 2.53Å; I32-L131 HydrophobicContact CD1-CD1 3.33Å; I32-L131 HydrophobicContact CG1-CD1 4.32Å; I52-L131 HydrophobicContact CD1-CD1 4.37Å; M115-L131 HydrophobicContact CB-CB 4.14Å; M115-L131 HydrophobicContact CB-CD2 4.21Å; M115-L131 HydrophobicContact CE-CB 3.96Å; M115-L131 VanDerWaalsContact CE-O 3.32Å; M115-L131 WeakPolarHBondContact CE-O 3.3Å; M115-L131 HydrophobicContact SD-CB 4.34Å; H116-L131 CarbonylContact O-C 3.58Å; H116-L131 WeakPolarHBondContact O-CA 3.43Å; V117-L131 HydrophobicContact CB-CD2 4.42Å; V117-L131 HydrophobicContact CG2-CD2 3.58Å; L131-V156 HydrophobicContact CD1-CB 4.22Å; L131-V156 HydrophobicContact CD1-CG1 3.61Å; L131-V156 HydrophobicContact CD1-CG2 3.59Å
132C91Very high79.1Confident6 Ų652.4 Ų52.44%0.04126%0.257CS..EExtended strand (participates in β ladder)trans-144.9153.3177.967.60000114.9F27 V28 M115 H116 K118F27-C132 HydrophobicContact CE1-CB 4.1Å; F27-C132 HydrophobicContact CE2-CB 3.5Å; F27-C132 HydrophobicContact CZ-CB 3.2Å; V28-C132 CarbonylContact O-C 3.6Å; V28-C132 WeakPolarHBondContact O-CA 3.34Å; V28-C132 WeakPolarHBondContact O-CB 3.25Å; M115-C132 CarbonylContact C-O 3.6Å; M115-C132 WeakPolarHBondContact CA-O 3.42Å; H116-C132 PolarHBondContact N-O 3.49Å; H116-C132 PolarHBondContact O-N 3.17Å; K118-C132 WeakPolarHBondContact CD-SG 3.33Å; K118-C132 WeakPolarHBondContact CE-SG 3.13Å
133A91.1Very high81.1Confident4 Ų445.9 Ų45.93%0.03322%0.222CC..EExtended strand (participates in β ladder)trans-150.2157172.600000110.8V28 I56 I113 M115V28-A133 PolarHBondContact N-O 3.02Å; V28-A133 PolarHBondContact O-N 3.1Å; I56-A133 HydrophobicContact CD1-CB 4.11Å; I113-A133 HydrophobicContact CG2-CB 3.95Å; M115-A133 HydrophobicContact CB-CB 4.43Å; M115-A133 HydrophobicContact CG-CB 3.87Å
134Y88.2Confident83Confident130 Ų13048 Ų4851%0.5122%0.216SC..EExtended strand (participates in β ladder)trans-92.9136.5165.8-76.3-85.7000109.4F27F27-Y134 HydrophobicContact CB-CD1 4.12Å; F27-Y134 HydrophobicContact CB-CE1 3.77Å; F27-Y134 HydrophobicContact CD2-CD1 4.18Å; F27-Y134 AromaticContact CD2-CD2 3.99Å; F27-Y134 HydrophobicContact CD2-CD2 3.99Å; F27-Y134 AromaticContact CD2-CE1 3.84Å; F27-Y134 HydrophobicContact CD2-CE1 3.84Å; F27-Y134 AromaticContact CD2-CE2 3.62Å; F27-Y134 HydrophobicContact CD2-CE2 3.62Å; F27-Y134 HydrophobicContact CD2-CG 4.26Å; F27-Y134 AromaticContact CD2-CZ 3.54Å; F27-Y134 HydrophobicContact CE2-CE2 4.05Å; F27-Y134 HydrophobicContact CG-CE1 4.23Å
135L89.3Confident84.8Confident4 Ų440.2 Ų40.22%0.02119%0.19CC..PPolyproline II helixtrans-78134.8174.1-65.2176000110.4Y22 G25 D26 V28 I56 I113 L139 I178Y22-L135 HydrophobicContact CG-CD1 4.28Å; G25-L135 WeakPolarHBondContact CA-O 3.33Å; G25-L135 PolarHBondContact N-O 3.34Å; D26-L135 PolarHBondContact O-N 2.95Å; V28-L135 HydrophobicContact CG2-CD1 3.83Å; V28-L135 HydrophobicContact CG2-CD2 4.06Å; V28-L135 HydrophobicContact CG2-CG 3.77Å; I56-L135 HydrophobicContact CD1-CD2 3.66Å; I56-L135 HydrophobicContact CG2-CD2 4.42Å; I113-L135 HydrophobicContact CD1-CD2 3.97Å; L135-L139 HydrophobicContact CB-CD1 4.06Å; L135-L139 HydrophobicContact CD2-CD1 3.94Å; L135-L139 HydrophobicContact CG-CD1 4.47Å; L135-I178 HydrophobicContact CD1-CD1 4.19Å; L135-I178 HydrophobicContact CD1-CG1 4.41Å; L135-I178 HydrophobicContact CD2-CD1 4.2Å
136P83.2Confident86.3Confident14 Ų1442 Ų429%0.09120%0.203CC..PPolyproline II helixtrans-57.1144.7168.3-25.233.4000112.4G24 I113 N138 L139 E375 Q377G24-P136 VanDerWaalsContact CA-O 3.29Å; G24-P136 WeakPolarHBondContact CA-O 3.43Å; I113-P136 HydrophobicContact CD1-CG 4.07Å; I113-P136 HydrophobicContact CG1-CG 4.28Å; P136-N138 VanDerWaalsContact C-N 3.28Å; P136-N138 WeakPolarHBondContact CB-OD1 3.45Å; P136-N138 PolarHBondContact O-N 2.82Å; P136-L139 HydrophobicContact CB-CD2 4.24Å; P136-L139 HydrophobicContact CB-CG 4.05Å; P136-L139 HydrophobicContact CG-CD2 4.25Å; P136-L139 HydrophobicContact CG-CG 4.34Å; P136-L139 WeakPolarHBondContact O-CG 3.26Å; P136-E375 WeakPolarHBondContact CG-OE2 3.36Å; P136-Q377 VanDerWaalsContact CB-NE2 3.26Å
137Y79.8Confident87.6Confident103 Ų10334.8 Ų34.840%0.40417%0.171SC..THydrogen-bonded Turntrans-68.5-27.8-177.8-65.7-78.8000113.7G24 S181 I183 M184G24-Y137 WeakPolarHBondContact O-CD1 3.5Å; Y137-S181 WeakPolarHBondContact CD1-OG 3.43Å; Y137-S181 WeakPolarHBondContact O-CB 3.47Å; Y137-I183 HydrophobicContact CD1-CG2 3.88Å; Y137-I183 HydrophobicContact CG-CG2 4.26Å; Y137-M184 VanDerWaalsContact O-CG 3.32Å; Y137-M184 WeakPolarHBondContact O-CG 3.34Å
138N79Confident88.4Confident19 Ų1933.2 Ų33.210%0.10216%0.155CC..THydrogen-bonded Turntrans-95.114.8-173.968.4-38.5000113.2P136 S140 M184 Q377 S380 M381P136-N138 VanDerWaalsContact C-N 3.28Å; P136-N138 WeakPolarHBondContact CB-OD1 3.45Å; P136-N138 PolarHBondContact O-N 2.82Å; N138-S140 PolarHBondContact O-N 2.96Å; N138-M184 HydrophobicContact CB-SD 4.33Å; N138-Q377 PolarHBondContact ND2-OE1 2.82Å; N138-Q377 PolarHBondContact OD1-OE1 2.78Å; N138-S380 PolarHBondContact ND2-OG 3.08Å; N138-M381 WeakPolarHBondContact O-CB 3.37Å; N138-M381 PolarHBondContact O-N 3.49Å
139L85.9Confident88.9Confident2 Ų234.9 Ų34.91%0.0116%0.158CC..PPolyproline II helixtrans-63.1138.9174.7-69.3-176.9000110.6C111 I113 L135 P136 Y152 I178C111-L139 HydrophobicContact CB-CD2 4.32Å; I113-L139 HydrophobicContact CD1-CD1 4.15Å; L135-L139 HydrophobicContact CB-CD1 4.06Å; L135-L139 HydrophobicContact CD2-CD1 3.94Å; L135-L139 HydrophobicContact CG-CD1 4.47Å; P136-L139 HydrophobicContact CB-CD2 4.24Å; P136-L139 HydrophobicContact CB-CG 4.05Å; P136-L139 HydrophobicContact CG-CD2 4.25Å; P136-L139 HydrophobicContact CG-CG 4.34Å; P136-L139 WeakPolarHBondContact O-CG 3.26Å; L139-Y152 HydrophobicContact CD1-CE1 4.37Å; L139-Y152 HydrophobicContact CD2-CE1 4.45Å; L139-I178 HydrophobicContact CB-CG2 4.25Å; L139-I178 HydrophobicContact CD1-CD1 3.53Å; L139-I178 HydrophobicContact CD1-CG2 4.48Å
140S89.1Confident89.3Confident0 Ų035.1 Ų35.10%016%0.159CC..PPolyproline II helixtrans-65.8138.9169.3-60.40000109.7N138 F150 Y152 S437N138-S140 PolarHBondContact O-N 2.96Å; S140-F150 VanDerWaalsContact CB-CD1 3.43Å; S140-F150 VanDerWaalsContact CB-CE1 3.47Å; S140-Y152 VanDerWaalsContact O-CE2 3.26Å; S140-Y152 WeakPolarHBondContact O-CE2 3.42Å; S140-Y152 VanDerWaalsContact O-CZ 3.31Å; S140-Y152 PolarHBondContact O-OH 2.81Å; S140-S437 WeakPolarHBondContact OG-CB 3.31Å; S140-S437 PolarHBondContact OG-OG 3.05Å
141P91.9Very high89.5Confident0 Ų035.2 Ų35.20%017%0.165CC..PPolyproline II helixtrans-69.6154.8-179.831.3-37000111.4I143 F150 I178 P180 T432 F435P141-I143 PolarHBondContact O-N 3.35Å; P141-F150 VanDerWaalsContact O-CB 3.24Å; P141-F150 WeakPolarHBondContact O-CB 3.15Å; P141-I178 CarbonylContact C-O 3.57Å; P141-I178 WeakPolarHBondContact CA-O 3.24Å; P141-P180 HydrophobicContact CB-CG 3.86Å; P141-P180 HydrophobicContact CG-CG 3.94Å; P141-T432 HydrophobicContact CB-CG2 3.75Å; P141-T432 HydrophobicContact CG-CG2 3.7Å; P141-F435 HydrophobicContact CG-CB 3.84Å; P141-F435 HydrophobicContact CG-CD1 3.26Å; P141-F435 HydrophobicContact CG-CD2 3.8Å; P141-F435 HydrophobicContact CG-CE1 3.61Å; P141-F435 HydrophobicContact CG-CE2 4.1Å; P141-F435 HydrophobicContact CG-CG 3.35Å; P141-F435 HydrophobicContact CG-CZ 4Å
142S94.6Very high89.8Confident13 Ų1335.5 Ų35.59%0.09117%0.166CC..PPolyproline II helixtrans-63.8129.1170.8-62.90000110.2F150 Y152 I178 T432S142-F150 WeakPolarHBondContact CA-O 3.01Å; S142-Y152 WeakPolarHBondContact OG-CD2 3.26Å; S142-I178 PolarHBondContact N-O 2.8Å; S142-I178 PolarHBondContact OG-N 3.46Å; S142-T432 WeakPolarHBondContact O-CG2 3.4Å; S142-T432 PolarHBondContact O-OG1 3.41Å
143I94Very high90Very high11 Ų1136.2 Ų36.26%0.05617%0.168CC..EExtended strand (participates in β ladder)trans-149.2142.7177.8-178.2161.8000110P141 F148 K149 F150 T432 F435 Y449P141-I143 PolarHBondContact O-N 3.35Å; I143-F148 HydrophobicContact CD1-CE2 4.1Å; I143-F148 HydrophobicContact CG2-CD2 3.97Å; I143-F148 HydrophobicContact CG2-CE2 4.01Å; I143-K149 CarbonylContact O-C 3.56Å; I143-K149 VanDerWaalsContact O-CA 3.28Å; I143-K149 WeakPolarHBondContact O-CA 3.25Å; I143-F150 HydrophobicContact CG2-CB 3.94Å; I143-F150 HydrophobicContact CG2-CD2 3.66Å; I143-F150 HydrophobicContact CG2-CG 4.21Å; I143-F150 PolarHBondContact N-O 2.98Å; I143-F150 VanDerWaalsContact N-O 3.07Å; I143-F150 PolarHBondContact O-N 3.01Å; I143-T432 HydrophobicContact CB-CG2 4.24Å; I143-F435 HydrophobicContact CB-CE1 4.42Å; I143-F435 HydrophobicContact CD1-CE1 4.03Å; I143-F435 HydrophobicContact CG2-CE1 4.17Å; I143-F435 HydrophobicContact CG2-CZ 3.86Å; I143-Y449 HydrophobicContact CD1-CD1 3.94Å; I143-Y449 HydrophobicContact CD1-CD2 3.36Å; I143-Y449 HydrophobicContact CD1-CE1 3.76Å; I143-Y449 HydrophobicContact CD1-CE2 3.15Å; I143-Y449 HydrophobicContact CD1-CG 3.72Å
144R91.6Very high90.2Very high223 Ų22336.1 Ų36.184%0.84217%0.167SC*.EExtended strand (participates in β ladder)trans-115.268.8172.5-168.7179.6178.7169.71.3109.6K149R144-K149 HydrophobicContact CG-CD 4.32Å
145G91Very high90.4Very high9 Ų929.9 Ų29.99%0.09314%0.143CC..  trans-79.1-17917800000113F148 K149 E352G145-F148 CarbonylContact C-O 3.54Å; G145-F148 WeakPolarHBondContact CA-O 3.26Å; G145-F148 PolarHBondContact N-O 3.32Å; G145-K149 WeakPolarHBondContact O-CE 3.48Å; G145-K149 WeakPolarHBondContact O-CG 3.36Å; G145-E352 WeakPolarHBondContact CA-OE1 3.47Å; G145-E352 WeakPolarHBondContact CA-OE2 3.27Å
146T89.4Confident90.6Very high78 Ų7829.8 Ų29.848%0.47914%0.142SC..SBendtrans-88.6-42.3174.354.90000111.9E352 Q404T146-E352 VanDerWaalsContact N-CD 3.32Å; T146-E352 PolarHBondContact N-OE1 3.27Å; T146-E352 PolarHBondContact N-OE2 2.78Å; T146-E352 PolarHBondContact OG1-OE1 3.26Å; T146-E352 PolarHBondContact OG1-OE2 3.43Å; T146-Q404 WeakPolarHBondContact OG1-CB 3.14Å; T146-Q404 WeakPolarHBondContact OG1-CG 3.4Å
147L88.6Confident91Very high2 Ų229.1 Ų29.11%0.0114%0.138CC..SBendtrans-83.2-40.5177.3-66.5-174.1000112.2L62 D63 Q66 E352 F354 Q404L62-L147 CarbonylContact C-O 3.59Å; D63-L147 PolarHBondContact N-O 2.89Å; Q66-L147 HydrophobicContact CG-CD2 4.31Å; L147-E352 HydrophobicContact CB-CB 4.26Å; L147-E352 HydrophobicContact CD1-CB 3.88Å; L147-E352 VanDerWaalsContact CD1-O 3.3Å; L147-E352 WeakPolarHBondContact CD1-O 3.3Å; L147-E352 HydrophobicContact CG-CB 4.15Å; L147-E352 PolarHBondContact N-OE2 3.3Å; L147-F354 HydrophobicContact CB-CE2 3.93Å; L147-F354 HydrophobicContact CB-CZ 3.97Å; L147-F354 HydrophobicContact CD1-CD2 4.15Å; L147-F354 HydrophobicContact CD1-CE2 4.09Å; L147-F354 HydrophobicContact CD2-CE2 4.01Å; L147-F354 HydrophobicContact CG-CE2 4.23Å; L147-Q404 HydrophobicContact CD1-CB 4.22Å; L147-Q404 HydrophobicContact CD1-CG 3.9Å; L147-Q404 HydrophobicContact CD2-CB 4.48Å; L147-Q404 HydrophobicContact CD2-CG 3.42Å; L147-Q404 VanDerWaalsContact CD2-CG 3.42Å; L147-Q404 HydrophobicContact CG-CB 3.95Å; L147-Q404 HydrophobicContact CG-CG 3.41Å; L147-Q404 VanDerWaalsContact CG-CG 3.41Å
148F89.4Confident91.5Very high0 Ų024.2 Ų24.20%012%0.119CC..EExtended strand (participates in β ladder)trans-142150.3-179.653.9-97.7000112.5K61 L62 I143 G145 F150 E352 F435 L447 Y449K61-F148 CarbonylContact O-C 3.5Å; K61-F148 VanDerWaalsContact O-CA 3.28Å; K61-F148 WeakPolarHBondContact O-CA 3.43Å; L62-F148 HydrophobicContact CD2-CB 3.72Å; I143-F148 HydrophobicContact CD1-CE2 4.1Å; I143-F148 HydrophobicContact CG2-CD2 3.97Å; I143-F148 HydrophobicContact CG2-CE2 4.01Å; G145-F148 CarbonylContact C-O 3.54Å; G145-F148 WeakPolarHBondContact CA-O 3.26Å; G145-F148 PolarHBondContact N-O 3.32Å; F148-F150 HydrophobicContact CB-CE2 4.42Å; F148-F150 AromaticContact CD2-CD2 3.98Å; F148-F150 HydrophobicContact CD2-CD2 3.98Å; F148-F150 AromaticContact CD2-CE2 3.84Å; F148-F150 HydrophobicContact CD2-CE2 3.84Å; F148-F150 HydrophobicContact CG-CE2 4.4Å; F148-E352 HydrophobicContact CE1-CB 3.9Å; F148-E352 HydrophobicContact CE1-CG 4.28Å; F148-E352 HydrophobicContact CZ-CB 4.22Å; F148-E352 HydrophobicContact CZ-CG 4.18Å; F148-E352 PolarHBondContact N-OE2 2.75Å; F148-F435 HydrophobicContact CE2-CE1 4.37Å; F148-F435 AromaticContact CE2-CZ 3.7Å; F148-F435 HydrophobicContact CE2-CZ 3.7Å; F148-F435 HydrophobicContact CZ-CZ 4.45Å; F148-L447 HydrophobicContact CB-CD1 4.25Å; F148-L447 HydrophobicContact CD1-CB 4.25Å; F148-L447 HydrophobicContact CD1-CD1 4.45Å; F148-L447 HydrophobicContact CD1-CD2 3.93Å; F148-L447 HydrophobicContact CD1-CG 4.45Å; F148-L447 HydrophobicContact CE1-CB 4.13Å; F148-L447 HydrophobicContact CE1-CD2 4.47Å; F148-L447 HydrophobicContact CG-CD1 4.16Å; F148-L447 HydrophobicContact CG-CD2 4.39Å; F148-L447 HydrophobicContact CZ-CB 4.36Å; F148-Y449 HydrophobicContact CE2-CD2 4.42Å; F148-Y449 HydrophobicContact CZ-CD2 4.11Å
149K93Very high91.9Very high80 Ų8024.9 Ų24.935%0.34812%0.121SC..EExtended strand (participates in β ladder)trans-132133.8177.3-59.3177.8178.9169.10109.2C60 K61 I143 R144 G145C60-K149 CarbonylContact C-O 3.54Å; C60-K149 WeakPolarHBondContact CA-O 3.26Å; K61-K149 HydrophobicContact CB-CB 4.32Å; K61-K149 PolarHBondContact N-O 3.22Å; K61-K149 PolarHBondContact O-N 2.63Å; I143-K149 CarbonylContact O-C 3.56Å; I143-K149 VanDerWaalsContact O-CA 3.28Å; I143-K149 WeakPolarHBondContact O-CA 3.25Å; R144-K149 HydrophobicContact CG-CD 4.32Å; G145-K149 WeakPolarHBondContact O-CE 3.48Å; G145-K149 WeakPolarHBondContact O-CG 3.36Å
150F94.1Very high91.9Very high4 Ų424.8 Ų24.82%0.01812%0.121CC..EExtended strand (participates in β ladder)trans-119.4122.4173.2-75.7-102.2000107.8C60 I110 S140 P141 S142 I143 F148 Y152 Y379 L447C60-F150 HydrophobicContact CB-CD1 4.37Å; C60-F150 HydrophobicContact CB-CE1 4.09Å; C60-F150 HydrophobicContact CB-CZ 4.2Å; I110-F150 HydrophobicContact CD1-CB 4.45Å; I110-F150 HydrophobicContact CD1-CD1 3.17Å; I110-F150 HydrophobicContact CD1-CE1 3.52Å; I110-F150 HydrophobicContact CD1-CG 4.11Å; I110-F150 HydrophobicContact CG1-CD1 4.13Å; I110-F150 HydrophobicContact CG1-CE1 3.97Å; S140-F150 VanDerWaalsContact CB-CD1 3.43Å; S140-F150 VanDerWaalsContact CB-CE1 3.47Å; P141-F150 VanDerWaalsContact O-CB 3.24Å; P141-F150 WeakPolarHBondContact O-CB 3.15Å; S142-F150 WeakPolarHBondContact CA-O 3.01Å; I143-F150 HydrophobicContact CG2-CB 3.94Å; I143-F150 HydrophobicContact CG2-CD2 3.66Å; I143-F150 HydrophobicContact CG2-CG 4.21Å; I143-F150 PolarHBondContact N-O 2.98Å; I143-F150 VanDerWaalsContact N-O 3.07Å; I143-F150 PolarHBondContact O-N 3.01Å; F148-F150 HydrophobicContact CB-CE2 4.42Å; F148-F150 AromaticContact CD2-CD2 3.98Å; F148-F150 HydrophobicContact CD2-CD2 3.98Å; F148-F150 AromaticContact CD2-CE2 3.84Å; F148-F150 HydrophobicContact CD2-CE2 3.84Å; F148-F150 HydrophobicContact CG-CE2 4.4Å; F150-Y152 HydrophobicContact CB-CE2 4.35Å; F150-Y379 HydrophobicContact CE1-CD1 4.48Å; F150-Y379 HydrophobicContact CE1-CG 4.26Å; F150-Y379 HydrophobicContact CZ-CD1 4.23Å; F150-Y379 HydrophobicContact CZ-CG 4.44Å; F150-L447 HydrophobicContact CE2-CD1 3.46Å; F150-L447 VanDerWaalsContact CE2-CD1 3.46Å; F150-L447 HydrophobicContact CZ-CD1 3.47Å; F150-L447 VanDerWaalsContact CZ-CD1 3.47Å
151A95.2Very high91.6Very high38 Ų3830 Ų3031%0.31414%0.144SC..EExtended strand (participates in β ladder)trans-133.8143.9-179.200000110.3G58 Q59G58-A151 WeakPolarHBondContact CA-O 3.35Å; Q59-A151 HydrophobicContact CG-CB 4.1Å; Q59-A151 PolarHBondContact N-O 2.82Å; Q59-A151 PolarHBondContact O-N 2.86Å
152Y95.6Very high91.2Very high6 Ų630.7 Ų30.72%0.02415%0.146CC..EExtended strand (participates in β ladder)trans-128.8144.4-178.8-64.4-94.9000110.1I57 L139 S140 S142 F150 L176 I178I57-Y152 WeakPolarHBondContact O-CA 3.37Å; L139-Y152 HydrophobicContact CD1-CE1 4.37Å; L139-Y152 HydrophobicContact CD2-CE1 4.45Å; S140-Y152 VanDerWaalsContact O-CE2 3.26Å; S140-Y152 WeakPolarHBondContact O-CE2 3.42Å; S140-Y152 VanDerWaalsContact O-CZ 3.31Å; S140-Y152 PolarHBondContact O-OH 2.81Å; S142-Y152 WeakPolarHBondContact OG-CD2 3.26Å; F150-Y152 HydrophobicContact CB-CE2 4.35Å; Y152-L176 PolarHBondContact O-N 2.86Å; Y152-I178 HydrophobicContact CD1-CD1 3.32Å; Y152-I178 HydrophobicContact CD1-CG1 4.3Å; Y152-I178 HydrophobicContact CD2-CB 4.09Å; Y152-I178 HydrophobicContact CD2-CD1 3.68Å; Y152-I178 HydrophobicContact CD2-CG1 3.81Å; Y152-I178 HydrophobicContact CE1-CD1 3.67Å; Y152-I178 HydrophobicContact CE2-CB 4.24Å; Y152-I178 HydrophobicContact CE2-CD1 4.01Å; Y152-I178 HydrophobicContact CE2-CG1 4.33Å; Y152-I178 HydrophobicContact CG-CD1 3.33Å; Y152-I178 HydrophobicContact CG-CG1 3.81Å
153K95.2Very high90.2Very high21 Ų2135.6 Ų35.69%0.09117%0.171CC..EExtended strand (participates in β ladder)trans-148.9145176.656.5-178-179-173.60110.9I56 I57 T102 V155 L174I56-K153 WeakPolarHBondContact CA-O 3.39Å; I57-K153 HydrophobicContact CB-CG 4.41Å; I57-K153 PolarHBondContact N-O 2.89Å; I57-K153 PolarHBondContact O-N 3.26Å; T102-K153 PolarHBondContact O-NZ 3.01Å; K153-V155 HydrophobicContact CD-CG2 3.95Å; K153-V155 HydrophobicContact CG-CG2 3.82Å; K153-L174 CarbonylContact C-O 3.51Å; K153-L174 WeakPolarHBondContact CA-O 3.21Å; K153-L174 WeakPolarHBondContact CB-O 3.06Å
154V95.6Very high89.1Confident1 Ų141.9 Ų41.91%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-78.1127.5162.2179.50000107.3L16 V28 C30 C55 I56 M115 V156 Q173 L174 L176L16-V154 HydrophobicContact CD2-CG2 3.77Å; V28-V154 HydrophobicContact CG1-CG2 4.25Å; C30-V154 HydrophobicContact CB-CG1 4.3Å; C55-V154 WeakPolarHBondContact O-CA 3.25Å; I56-V154 HydrophobicContact CG1-CG2 4.28Å; M115-V154 HydrophobicContact CE-CG1 4.36Å; M115-V154 HydrophobicContact SD-CG1 3.55Å; M115-V154 VanDerWaalsContact SD-CG1 3.55Å; M115-V154 HydrophobicContact SD-CG2 4.39Å; V154-V156 HydrophobicContact CG1-CG2 3.86Å; V154-Q173 CarbonylContact O-C 3.6Å; V154-Q173 VanDerWaalsContact O-CA 3.3Å; V154-Q173 WeakPolarHBondContact O-CA 3.13Å; V154-L174 HydrophobicContact CB-CB 4.29Å; V154-L174 PolarHBondContact N-O 2.87Å; V154-L174 PolarHBondContact O-N 3.41Å; V154-L176 HydrophobicContact CG2-CD2 3.57Å
155V93.8Very high88.1Confident0 Ų033.2 Ų33.20%018%0.178CC..EExtended strand (participates in β ladder)trans-119126.2172.7-172.70000108.1G54 C55 I57 F99 T102 K153 T171 I172 Q173G54-V155 WeakPolarHBondContact CA-O 3.27Å; C55-V155 PolarHBondContact N-O 3.16Å; C55-V155 PolarHBondContact O-N 3.01Å; I57-V155 HydrophobicContact CB-CG2 4.46Å; I57-V155 HydrophobicContact CD1-CB 4.04Å; I57-V155 HydrophobicContact CD1-CG2 3.64Å; I57-V155 HydrophobicContact CG1-CB 4.46Å; I57-V155 HydrophobicContact CG1-CG2 4.02Å; F99-V155 HydrophobicContact CD1-CB 4.05Å; F99-V155 HydrophobicContact CD1-CG1 3.56Å; F99-V155 HydrophobicContact CE1-CB 4.18Å; F99-V155 HydrophobicContact CE1-CG1 3.78Å; T102-V155 HydrophobicContact CG2-CG1 3.86Å; K153-V155 HydrophobicContact CD-CG2 3.95Å; K153-V155 HydrophobicContact CG-CG2 3.82Å; V155-T171 HydrophobicContact CG1-CG2 3.44Å; V155-T171 VanDerWaalsContact CG1-CG2 3.44Å; V155-I172 WeakPolarHBondContact CA-O 3.28Å; V155-Q173 HydrophobicContact CG1-CG 4.26Å; V155-Q173 HydrophobicContact CG2-CG 4.22Å
156V93.1Very high87.6Confident2 Ų239.7 Ų39.71%0.01221%0.211CC..EExtended strand (participates in β ladder)trans-122.4124.7176.5-170.50000109.6I32 I52 V53 L131 V154 V158 T171 I172I32-V156 HydrophobicContact CD1-CB 3.94Å; I32-V156 HydrophobicContact CD1-CG1 3.49Å; I32-V156 VanDerWaalsContact CD1-CG1 3.49Å; I32-V156 HydrophobicContact CD1-CG2 3.97Å; I52-V156 HydrophobicContact CD1-CG1 4.3Å; I52-V156 HydrophobicContact CG1-CG1 3.95Å; V53-V156 WeakPolarHBondContact O-CA 3.4Å; V53-V156 WeakPolarHBondContact O-CG1 3.44Å; L131-V156 HydrophobicContact CD1-CB 4.22Å; L131-V156 HydrophobicContact CD1-CG1 3.61Å; L131-V156 HydrophobicContact CD1-CG2 3.59Å; V154-V156 HydrophobicContact CG1-CG2 3.86Å; V156-V158 HydrophobicContact CG1-CG2 4.29Å; V156-T171 CarbonylContact O-C 3.52Å; V156-T171 VanDerWaalsContact O-CA 3.3Å; V156-T171 WeakPolarHBondContact O-CA 3.45Å; V156-I172 PolarHBondContact N-O 3.29Å; V156-I172 PolarHBondContact O-N 3.36Å
157A91.4Very high87.3Confident0 Ų040.2 Ų40.20%021%0.21CC..EExtended strand (participates in β ladder)trans-101.7129.2174.300000109.5I52 V53 F93 A95 L98 F99 H170I52-A157 WeakPolarHBondContact CA-O 3.29Å; V53-A157 PolarHBondContact N-O 2.84Å; V53-A157 PolarHBondContact O-N 2.75Å; F93-A157 HydrophobicContact CE2-CB 4.15Å; F93-A157 HydrophobicContact CZ-CB 3.62Å; A95-A157 HydrophobicContact CB-CB 4.07Å; L98-A157 HydrophobicContact CD2-CB 3.57Å; F99-A157 HydrophobicContact CE1-CB 3.79Å; F99-A157 HydrophobicContact CZ-CB 4.11Å; A157-H170 CarbonylContact C-O 3.6Å; A157-H170 WeakPolarHBondContact CA-O 3.46Å
158V89.8Confident87.2Confident0 Ų043.9 Ų43.90%023%0.225CC..EExtended strand (participates in β ladder)trans-122.1125.8-178.6-179.40000108.3L12 F34 L49 I52 V156 V160 M169 H170L12-V158 HydrophobicContact CD1-CB 4.09Å; L12-V158 HydrophobicContact CD1-CG1 4.31Å; L12-V158 HydrophobicContact CD1-CG2 4.07Å; F34-V158 HydrophobicContact CE1-CG1 3.88Å; L49-V158 HydrophobicContact CD1-CG1 3.48Å; L49-V158 VanDerWaalsContact CD1-CG1 3.48Å; I52-V158 HydrophobicContact CD1-CG2 4.47Å; I52-V158 HydrophobicContact CG1-CG2 4.3Å; V156-V158 HydrophobicContact CG1-CG2 4.29Å; V158-V160 HydrophobicContact CG1-CG1 4.05Å; V158-M169 CarbonylContact O-C 3.51Å; V158-M169 WeakPolarHBondContact O-CA 3.36Å; V158-H170 PolarHBondContact N-O 2.91Å; V158-H170 PolarHBondContact O-N 3.15Å
159Q87.9Confident87.1Confident33 Ų3347.6 Ų47.615%0.15424%0.244CC..EExtended strand (participates in β ladder)trans-103.4122.7175.6-168.1-179.726.200109.4T50 G51 F93 I167 M169T50-Q159 PolarHBondContact N-O 3.45Å; T50-Q159 WeakPolarHBondContact OG1-CG 3.19Å; T50-Q159 PolarHBondContact OG1-O 2.76Å; T50-Q159 PolarHBondContact OG1-OE1 2.78Å; G51-Q159 PolarHBondContact N-O 3.35Å; G51-Q159 PolarHBondContact O-N 2.85Å; F93-Q159 HydrophobicContact CD1-CB 3.93Å; F93-Q159 HydrophobicContact CE1-CB 3.81Å; F93-Q159 HydrophobicContact CG-CB 4.48Å; F93-Q159 HydrophobicContact CZ-CB 4.31Å; Q159-I167 VanDerWaalsContact CD-CG2 3.48Å; Q159-I167 HydrophobicContact CG-CG2 3.11Å; Q159-M169 HydrophobicContact CB-CE 3.87Å; Q159-M169 HydrophobicContact CB-SD 3.84Å; Q159-M169 HydrophobicContact CG-CE 4.1Å; Q159-M169 HydrophobicContact CG-SD 3.46Å; Q159-M169 WeakPolarHBondContact CG-SD 2.88Å
160V85.7Confident86.8Confident0 Ų045 Ų450%023%0.233CC..EExtended strand (participates in β ladder)trans-122.1143.9178.3-67.20000110.7L10 W47 S48 V158 Y162 I167 K168L10-V160 HydrophobicContact CD1-CB 4.06Å; L10-V160 HydrophobicContact CD1-CG1 3.78Å; L10-V160 HydrophobicContact CD1-CG2 3.46Å; L10-V160 VanDerWaalsContact CD1-CG2 3.46Å; W47-V160 HydrophobicContact CD2-CG1 4.35Å; W47-V160 HydrophobicContact CE3-CB 4.31Å; W47-V160 HydrophobicContact CE3-CG1 3.64Å; W47-V160 HydrophobicContact CZ3-CG1 4.07Å; S48-V160 WeakPolarHBondContact O-CA 3.48Å; V158-V160 HydrophobicContact CG1-CG1 4.05Å; V160-Y162 HydrophobicContact CG2-CD2 4.49Å; V160-Y162 HydrophobicContact CG2-CE2 3.76Å; V160-I167 WeakPolarHBondContact O-CA 3.28Å; V160-K168 HydrophobicContact CG2-CB 4.04Å; V160-K168 VanDerWaalsContact CG2-O 3.31Å; V160-K168 WeakPolarHBondContact CG2-O 3.11Å; V160-K168 PolarHBondContact N-O 3.36Å; V160-K168 PolarHBondContact O-N 2.72Å
161K83.8Confident86.6Confident110 Ų11047.2 Ų47.248%0.47825%0.247SC..EExtended strand (participates in β ladder)trans-116.5123.2171.6-176.6178.1-178.4179.90108.8W47 S48 T50W47-K161 CarbonylContact C-O 3.55Å; W47-K161 WeakPolarHBondContact CA-O 3.49Å; S48-K161 PolarHBondContact N-O 3.31Å; S48-K161 PolarHBondContact O-N 3.01Å; S48-K161 PolarHBondContact OG-O 2.74Å; T50-K161 HydrophobicContact CG2-CB 3.57Å; T50-K161 HydrophobicContact CG2-CD 4.49Å
162Y82.3Confident86.5Confident14 Ų1446.6 Ų46.66%0.05524%0.238CC..EExtended strand (participates in β ladder)trans-89155.7172.3-59.6-102.6000109.8L10 W47 V160 N164 S165 K168L10-Y162 HydrophobicContact CD1-CE2 4.46Å; L10-Y162 WeakPolarHBondContact CD1-OH 3.16Å; W47-Y162 HydrophobicContact CB-CD1 3.72Å; W47-Y162 HydrophobicContact CB-CE1 3.76Å; W47-Y162 HydrophobicContact CB-CG 4.13Å; W47-Y162 HydrophobicContact CG-CE1 4.25Å; V160-Y162 HydrophobicContact CG2-CD2 4.49Å; V160-Y162 HydrophobicContact CG2-CE2 3.76Å; Y162-N164 PolarHBondContact O-N 3.39Å; Y162-S165 VanDerWaalsContact CB-OG 3.28Å; Y162-S165 WeakPolarHBondContact CB-OG 3.48Å; Y162-S165 VanDerWaalsContact CD2-OG 3.28Å; Y162-S165 WeakPolarHBondContact CD2-OG 3.3Å; Y162-S165 PolarHBondContact O-N 2.83Å; Y162-K168 HydrophobicContact CD2-CD 4.4Å; Y162-K168 HydrophobicContact CE2-CB 4.34Å; Y162-K168 HydrophobicContact CE2-CD 3.88Å; Y162-K168 HydrophobicContact CE2-CG 4.32Å
163L73.6Confident86.4Confident116 Ų11650.7 Ų50.761%0.60726%0.257SS*.THydrogen-bonded Turntrans-52.1-33.7-174.4-160.272.9000113.3K46K46-L163 PolarHBondContact O-N 2.82Å
164N71Confident86.4Confident142 Ų14251.1 Ų51.176%0.75926%0.26SS*.THydrogen-bonded Turntrans-130.422.3-177.2-67.8-18000114Y162Y162-N164 PolarHBondContact O-N 3.39Å
165S70.8Confident86.3Confident41 Ų4155.9 Ų55.929%0.28729%0.291SS..SBendtrans-129.1161.9178.390.30000113Y162Y162-S165 VanDerWaalsContact CB-OG 3.28Å; Y162-S165 WeakPolarHBondContact CB-OG 3.48Å; Y162-S165 VanDerWaalsContact CD2-OG 3.28Å; Y162-S165 WeakPolarHBondContact CD2-OG 3.3Å; Y162-S165 PolarHBondContact O-N 2.83Å
166D80.4Confident86.3Confident146 Ų14656.4 Ų56.478%0.78129%0.294SS*.  trans-57.3158.8165.6-65.4-41.5000111.3K168D166-K168 PolarHBondContact O-N 3.23Å
167I84Confident86.4Confident89 Ų8959.4 Ų59.446%0.45631%0.305SS..  trans-61.1125.2174.2-61.3174.8000109Q159 V160 M169Q159-I167 VanDerWaalsContact CD-CG2 3.48Å; Q159-I167 HydrophobicContact CG-CG2 3.11Å; V160-I167 WeakPolarHBondContact O-CA 3.28Å; I167-M169 HydrophobicContact CG2-SD 4.24Å
168K85.5Confident86.4Confident78 Ų7859.4 Ų59.434%0.33931%0.305SS..EExtended strand (participates in β ladder)trans-108140.8174.6-65-172.4-176.3172.60111.1V160 Y162 D166V160-K168 HydrophobicContact CG2-CB 4.04Å; V160-K168 VanDerWaalsContact CG2-O 3.31Å; V160-K168 WeakPolarHBondContact CG2-O 3.11Å; V160-K168 PolarHBondContact N-O 3.36Å; V160-K168 PolarHBondContact O-N 2.72Å; Y162-K168 HydrophobicContact CD2-CD 4.4Å; Y162-K168 HydrophobicContact CE2-CB 4.34Å; Y162-K168 HydrophobicContact CE2-CD 3.88Å; Y162-K168 HydrophobicContact CE2-CG 4.32Å; D166-K168 PolarHBondContact O-N 3.23Å
169M86.7Confident86.4Confident78 Ų7859.8 Ų59.838%0.38431%0.307SS..EExtended strand (participates in β ladder)trans-102.7133.8177.5-53.6-52.8-66.600109.7F93 L98 V158 Q159 I167F93-M169 HydrophobicContact CD2-CE 3.52Å; F93-M169 HydrophobicContact CE1-CE 4.14Å; F93-M169 HydrophobicContact CE2-CE 2.96Å; F93-M169 HydrophobicContact CG-CE 4.33Å; F93-M169 HydrophobicContact CZ-CE 3.31Å; L98-M169 HydrophobicContact CD2-CB 4.33Å; L98-M169 HydrophobicContact CD2-CE 4.35Å; V158-M169 CarbonylContact O-C 3.51Å; V158-M169 WeakPolarHBondContact O-CA 3.36Å; Q159-M169 HydrophobicContact CB-CE 3.87Å; Q159-M169 HydrophobicContact CB-SD 3.84Å; Q159-M169 HydrophobicContact CG-CE 4.1Å; Q159-M169 HydrophobicContact CG-SD 3.46Å; Q159-M169 WeakPolarHBondContact CG-SD 2.88Å; I167-M169 HydrophobicContact CG2-SD 4.24Å
170H87.1Confident86.2Confident26 Ų2658.2 Ų58.212%0.1230%0.3CS..EExtended strand (participates in β ladder)trans-125137.7174.3-63.966.5000108.8L10 L12 A157 V158L10-H170 VanDerWaalsContact CD1-CE1 3.5Å; L10-H170 WeakPolarHBondContact CD1-CE1 3.47Å; L12-H170 HydrophobicContact CD1-CB 3.71Å; A157-H170 CarbonylContact C-O 3.6Å; A157-H170 WeakPolarHBondContact CA-O 3.46Å; V158-H170 PolarHBondContact N-O 2.91Å; V158-H170 PolarHBondContact O-N 3.15Å
171T90.5Very high85.8Confident51 Ų5158.7 Ų58.731%0.31330%0.303SS..EExtended strand (participates in β ladder)trans-121.7132.5-180-50.70000110L98 T102 V155 V156 Q173L98-T171 WeakPolarHBondContact CD1-OG1 2.93Å; L98-T171 VanDerWaalsContact CD2-OG1 3.3Å; L98-T171 WeakPolarHBondContact CD2-OG1 3.49Å; L98-T171 WeakPolarHBondContact CG-OG1 3.24Å; T102-T171 HydrophobicContact CG2-CG2 3.96Å; V155-T171 HydrophobicContact CG1-CG2 3.44Å; V155-T171 VanDerWaalsContact CG1-CG2 3.44Å; V156-T171 CarbonylContact O-C 3.52Å; V156-T171 VanDerWaalsContact O-CA 3.3Å; V156-T171 WeakPolarHBondContact O-CA 3.45Å; T171-Q173 HydrophobicContact CG2-CG 4.4Å
172I92.1Very high85.1Confident25 Ų2554.8 Ų54.813%0.12829%0.291CS..EExtended strand (participates in β ladder)trans-114.8140.7174.4-51.6170.7000108.2L12 A14 I32 V155 V156L12-I172 HydrophobicContact CB-CD1 3.46Å; L12-I172 VanDerWaalsContact CB-CD1 3.46Å; L12-I172 HydrophobicContact CB-CG1 4.21Å; L12-I172 HydrophobicContact CD1-CD1 4Å; L12-I172 HydrophobicContact CD1-CG1 4.36Å; L12-I172 HydrophobicContact CG-CD1 4.32Å; A14-I172 HydrophobicContact CB-CD1 4.14Å; A14-I172 HydrophobicContact CB-CG2 3.69Å; I32-I172 HydrophobicContact CG2-CD1 4.49Å; V155-I172 WeakPolarHBondContact CA-O 3.28Å; V156-I172 PolarHBondContact N-O 3.29Å; V156-I172 PolarHBondContact O-N 3.36Å
173Q93.7Very high84.3Confident91 Ų9157 Ų5743%0.42530%0.303SS..EExtended strand (participates in β ladder)trans-129127.1179.8-58.2-177.236.600109.8V154 V155 T171V154-Q173 CarbonylContact O-C 3.6Å; V154-Q173 VanDerWaalsContact O-CA 3.3Å; V154-Q173 WeakPolarHBondContact O-CA 3.13Å; V155-Q173 HydrophobicContact CG1-CG 4.26Å; V155-Q173 HydrophobicContact CG2-CG 4.22Å; T171-Q173 HydrophobicContact CG2-CG 4.4Å
174L95Very high83.9Confident31 Ų3153.2 Ų53.216%0.16228%0.283CS..EExtended strand (participates in β ladder)trans-122.6117175.7-60.6174.4000109.3A14 L16 K153 V154A14-L174 HydrophobicContact CB-CD1 3.77Å; A14-L174 HydrophobicContact CB-CD2 4.47Å; A14-L174 HydrophobicContact CB-CG 4.3Å; L16-L174 HydrophobicContact CD2-CD1 4.17Å; L16-L174 HydrophobicContact CG-CB 4.43Å; L16-L174 HydrophobicContact CG-CD1 4.09Å; K153-L174 CarbonylContact C-O 3.51Å; K153-L174 WeakPolarHBondContact CA-O 3.21Å; K153-L174 WeakPolarHBondContact CB-O 3.06Å; V154-L174 HydrophobicContact CB-CB 4.29Å; V154-L174 PolarHBondContact N-O 2.87Å; V154-L174 PolarHBondContact O-N 3.41Å
175P95.3Very high83.4Confident101 Ų10147.5 Ų47.566%0.65625%0.251SS*.EExtended strand (participates in β ladder)trans-69.6145.8176.630.2-34.2000110.6
176L93.8Very high82.5Confident11 Ų1147.7 Ų47.76%0.05825%0.247CC..EExtended strand (participates in β ladder)trans-137.6153170.466.8117.7000110.7L16 Y22 I56 Y152 V154 I178L16-L176 HydrophobicContact CD1-CB 4.13Å; Y22-L176 HydrophobicContact CD2-CB 4.23Å; Y22-L176 HydrophobicContact CD2-CD1 4Å; Y22-L176 HydrophobicContact CE2-CB 4.29Å; I56-L176 HydrophobicContact CG2-CD2 4.16Å; Y152-L176 PolarHBondContact O-N 2.86Å; V154-L176 HydrophobicContact CG2-CD2 3.57Å; L176-I178 HydrophobicContact CD1-CD1 3.92Å; L176-I178 HydrophobicContact CD1-CG1 3.53Å
177R93.6Very high80.7Confident65 Ų6544.2 Ų44.225%0.24524%0.235CC..EExtended strand (participates in β ladder)trans-102.7128.3176.5-177.3-178.8179.1143.42.8109.3S20 V21 Y22 N430 I431S20-R177 PolarHBondContact O-N 3.19Å; V21-R177 CarbonylContact C-O 3.51Å; V21-R177 WeakPolarHBondContact CA-O 3.39Å; V21-R177 HydrophobicContact CG1-CB 4.43Å; V21-R177 HydrophobicContact CG1-CG 4.36Å; V21-R177 HydrophobicContact CG2-CB 4.2Å; Y22-R177 PolarHBondContact N-O 2.93Å; R177-N430 PolarHBondContact NH1-O 2.89Å; R177-N430 PolarHBondContact NH2-O 2.91Å; R177-I431 PolarHBondContact NH2-O 3.35Å
178I92.4Very high78.9Confident0 Ų040.8 Ų40.80%022%0.217CC..EExtended strand (participates in β ladder)trans-104.9133.6174.4-57.1-169.7000109.2Y22 L135 L139 P141 S142 Y152 L176Y22-I178 CarbonylContact O-C 3.56Å; Y22-I178 VanDerWaalsContact O-CA 3.26Å; Y22-I178 WeakPolarHBondContact O-CA 3.37Å; L135-I178 HydrophobicContact CD1-CD1 4.19Å; L135-I178 HydrophobicContact CD1-CG1 4.41Å; L135-I178 HydrophobicContact CD2-CD1 4.2Å; L139-I178 HydrophobicContact CB-CG2 4.25Å; L139-I178 HydrophobicContact CD1-CD1 3.53Å; L139-I178 HydrophobicContact CD1-CG2 4.48Å; P141-I178 CarbonylContact C-O 3.57Å; P141-I178 WeakPolarHBondContact CA-O 3.24Å; S142-I178 PolarHBondContact N-O 2.8Å; S142-I178 PolarHBondContact OG-N 3.46Å; Y152-I178 HydrophobicContact CD1-CD1 3.32Å; Y152-I178 HydrophobicContact CD1-CG1 4.3Å; Y152-I178 HydrophobicContact CD2-CB 4.09Å; Y152-I178 HydrophobicContact CD2-CD1 3.68Å; Y152-I178 HydrophobicContact CD2-CG1 3.81Å; Y152-I178 HydrophobicContact CE1-CD1 3.67Å; Y152-I178 HydrophobicContact CE2-CB 4.24Å; Y152-I178 HydrophobicContact CE2-CD1 4.01Å; Y152-I178 HydrophobicContact CE2-CG1 4.33Å; Y152-I178 HydrophobicContact CG-CD1 3.33Å; Y152-I178 HydrophobicContact CG-CG1 3.81Å; L176-I178 HydrophobicContact CD1-CD1 3.92Å; L176-I178 HydrophobicContact CD1-CG1 3.53Å
179L89.8Confident76.8Confident7 Ų745.6 Ų45.64%0.03723%0.233CC..EExtended strand (participates in β ladder)trans-111.9160.3170.3-65.7176.3000109.2V21 Y22 S23 G24 Y508V21-L179 HydrophobicContact CG1-CD1 3.6Å; V21-L179 HydrophobicContact CG1-CG 3.99Å; Y22-L179 PolarHBondContact O-N 3.35Å; S23-L179 WeakPolarHBondContact CA-O 3.35Å; G24-L179 PolarHBondContact N-O 3.47Å; L179-Y508 HydrophobicContact CB-CD1 4.11Å; L179-Y508 HydrophobicContact CB-CE1 4.32Å; L179-Y508 HydrophobicContact CB-CG 4.25Å; L179-Y508 HydrophobicContact CD1-CD1 4.24Å; L179-Y508 HydrophobicContact CD1-CD2 3.53Å; L179-Y508 HydrophobicContact CD1-CE1 4.05Å; L179-Y508 HydrophobicContact CD1-CE2 3.29Å; L179-Y508 HydrophobicContact CD1-CG 3.98Å
180P83Confident74.3Confident0 Ų047.6 Ų47.60%024%0.244CC..  trans-56.9146.6176.7-29.342.1000111.7S23 P141 Y185 M381 P433S23-P180 PolarHBondContact OG-O 3.37Å; P141-P180 HydrophobicContact CB-CG 3.86Å; P141-P180 HydrophobicContact CG-CG 3.94Å; P180-Y185 HydrophobicContact CB-CE2 4.01Å; P180-M381 HydrophobicContact CB-CE 3.73Å; P180-M381 HydrophobicContact CB-SD 3.79Å; P180-M381 HydrophobicContact CG-CE 4.06Å; P180-M381 HydrophobicContact CG-SD 4.19Å; P180-P433 HydrophobicContact CG-CG 3.61Å
181S77.1Confident71.6Confident10 Ų1055 Ų557%0.0728%0.279CS..  trans-70.3140.3168-165.90000109.9G24 Y137 I183 M184G24-S181 WeakPolarHBondContact O-CB 3.06Å; G24-S181 PolarHBondContact O-OG 3.19Å; Y137-S181 WeakPolarHBondContact CD1-OG 3.43Å; Y137-S181 WeakPolarHBondContact O-CB 3.47Å; S181-I183 PolarHBondContact O-N 3.4Å; S181-I183 WeakPolarHBondContact OG-CG2 3.41Å; S181-M184 WeakPolarHBondContact O-CB 3.5Å; S181-M184 PolarHBondContact O-N 2.88Å
182A69.9Low68.8Low28 Ų2859.4 Ų59.423%0.23130%0.296CS..G310 helixtrans-56.1-35.9175.800000111.7M184 Y185 H186A182-M184 PolarHBondContact O-N 2.82Å; A182-Y185 WeakPolarHBondContact O-CB 3.39Å; A182-Y185 PolarHBondContact O-N 3.4Å; A182-H186 PolarHBondContact O-CE1 3.43Å; A182-H186 PolarHBondContact O-ND1 2.96Å
183I64.7Low65.7Low61 Ų6163.6 Ų63.631%0.31333%0.327SS..G310 helixtrans-63.3-25.4177.9-163.7169.3000113.3Y137 S181 Y185 H186Y137-I183 HydrophobicContact CD1-CG2 3.88Å; Y137-I183 HydrophobicContact CG-CG2 4.26Å; S181-I183 PolarHBondContact O-N 3.4Å; S181-I183 WeakPolarHBondContact OG-CG2 3.41Å; I183-Y185 PolarHBondContact O-N 2.84Å; I183-H186 VanDerWaalsContact CA-ND1 3.34Å; I183-H186 WeakPolarHBondContact CA-ND1 3.37Å; I183-H186 WeakPolarHBondContact O-CB 3.34Å; I183-H186 PolarHBondContact O-N 2.79Å; I183-H186 PolarHBondContact O-ND1 3.07Å
184M65.6Low62.7Low36 Ų3666.9 Ų66.918%0.17735%0.347CS..G310 helixtrans-70.5-17.9175.4-65.6-69.495.200112.3Y137 N138 S181 A182 H186 M381 C383Y137-M184 VanDerWaalsContact O-CG 3.32Å; Y137-M184 WeakPolarHBondContact O-CG 3.34Å; N138-M184 HydrophobicContact CB-SD 4.33Å; S181-M184 WeakPolarHBondContact O-CB 3.5Å; S181-M184 PolarHBondContact O-N 2.88Å; A182-M184 PolarHBondContact O-N 2.82Å; M184-H186 PolarHBondContact O-N 2.88Å; M184-M381 HydrophobicContact CB-CE 3.97Å; M184-M381 HydrophobicContact CB-SD 4.01Å; M184-M381 HydrophobicContact CG-SD 4.15Å; M184-C383 WeakPolarHBondContact O-CB 3.03Å
185Y61.2Low59.7Low23 Ų2372.2 Ų72.29%0.0938%0.376CS..G310 helixtrans-82.211.7167.4-61-61.4000113.4P180 A182 I183 L188 P433 Q434 V507P180-Y185 HydrophobicContact CB-CE2 4.01Å; A182-Y185 WeakPolarHBondContact O-CB 3.39Å; A182-Y185 PolarHBondContact O-N 3.4Å; I183-Y185 PolarHBondContact O-N 2.84Å; Y185-L188 VanDerWaalsContact C-CD1 3.47Å; Y185-L188 VanDerWaalsContact C-CG 3.45Å; Y185-L188 HydrophobicContact CD1-CD1 4.2Å; Y185-L188 WeakPolarHBondContact O-CD1 3.33Å; Y185-L188 WeakPolarHBondContact O-CG 3.32Å; Y185-P433 WeakPolarHBondContact OH-CB 3.37Å; Y185-P433 VanDerWaalsContact OH-CG 3.3Å; Y185-P433 WeakPolarHBondContact OH-CG 3.3Å; Y185-Q434 PolarHBondContact OH-O 3.25Å; Y185-V507 HydrophobicContact CD1-CG1 3.9Å; Y185-V507 HydrophobicContact CD2-CB 4.38Å; Y185-V507 HydrophobicContact CD2-CG1 4.37Å; Y185-V507 HydrophobicContact CE1-CB 4.44Å; Y185-V507 HydrophobicContact CE1-CG1 3.85Å; Y185-V507 HydrophobicContact CE2-CB 4.12Å; Y185-V507 HydrophobicContact CE2-CG1 4.33Å; Y185-V507 HydrophobicContact CG-CG1 4.18Å
186H52.1Low56.8Low45 Ų4575.8 Ų75.821%0.20838%0.381CS..THydrogen-bonded Turntrans-105-29.8-176.7-67.855.1000114.4A182 I183 M184 L188 R189 S287A182-H186 PolarHBondContact O-CE1 3.43Å; A182-H186 PolarHBondContact O-ND1 2.96Å; I183-H186 VanDerWaalsContact CA-ND1 3.34Å; I183-H186 WeakPolarHBondContact CA-ND1 3.37Å; I183-H186 WeakPolarHBondContact O-CB 3.34Å; I183-H186 PolarHBondContact O-N 2.79Å; I183-H186 PolarHBondContact O-ND1 3.07Å; M184-H186 PolarHBondContact O-N 2.88Å; H186-L188 PolarHBondContact O-N 2.91Å; H186-R189 PolarHBondContact O-N 2.72Å; H186-S287 WeakPolarHBondContact NE2-CA 3.37Å; H186-S287 WeakPolarHBondContact NE2-CB 3.28Å; H186-S287 PolarHBondContact NE2-O 2.74Å
187S41.1Very low53.7Low73 Ų7385.2 Ų85.251%0.5142%0.422SS..THydrogen-bonded Turntrans-634.7169.4-610000113.1R189 C383S187-R189 PolarHBondContact O-N 2.74Å; S187-C383 WeakPolarHBondContact CB-SG 3.45Å
188L47Very low50.8Low17 Ų1789.3 Ų89.39%0.08944%0.443CS..THydrogen-bonded Turntrans-69.7-4.4170.6-52.3-176.1000113.5Y185 H186 L190 C383 L384 L386Y185-L188 VanDerWaalsContact C-CD1 3.47Å; Y185-L188 VanDerWaalsContact C-CG 3.45Å; Y185-L188 HydrophobicContact CD1-CD1 4.2Å; Y185-L188 WeakPolarHBondContact O-CD1 3.33Å; Y185-L188 WeakPolarHBondContact O-CG 3.32Å; H186-L188 PolarHBondContact O-N 2.91Å; L188-L190 PolarHBondContact O-N 3.49Å; L188-C383 HydrophobicContact CD2-CB 3.87Å; L188-L384 WeakPolarHBondContact CD2-O 3.47Å; L188-L386 HydrophobicContact CB-CB 3.89Å; L188-L386 HydrophobicContact CB-CD1 4.48Å; L188-L386 HydrophobicContact CB-CG 3.94Å; L188-L386 HydrophobicContact CD1-CB 4.2Å; L188-L386 HydrophobicContact CD1-CD1 3.25Å; L188-L386 HydrophobicContact CD1-CD2 4.4Å; L188-L386 HydrophobicContact CD1-CG 3.32Å; L188-L386 HydrophobicContact CD2-CG 3.95Å; L188-L386 HydrophobicContact CG-CB 4.41Å; L188-L386 HydrophobicContact CG-CD1 4.32Å; L188-L386 HydrophobicContact CG-CG 3.9Å
189R41.8Very low47.7Very low179 Ų17995.6 Ų95.668%0.67548%0.482SS*.  trans-87.488.6168.7-68.6-170174.6128.57.7110.2H186 S187 Q191 E290H186-R189 PolarHBondContact O-N 2.72Å; S187-R189 PolarHBondContact O-N 2.74Å; R189-Q191 PolarHBondContact O-N 2.76Å; R189-E290 IonicContact CZ-OE2 3.8Å; R189-E290 VanDerWaalsContact CZ-OE2 3.24Å; R189-E290 IonicContact NH1-OE2 2.66Å; R189-E290 PolarHBondContact NH1-OE2 2.93Å; R189-E290 IonicContact NH2-OE2 3.07Å; R189-E290 PolarHBondContact NH2-OE2 2.86Å
190L33.4Very low45.1Very low119 Ų119104.1 Ų104.162%0.62352%0.515SS*.  trans-69.2115.3149.1-134.6113.3000105.8L188 E192L188-L190 PolarHBondContact O-N 3.49Å; L190-E192 VanDerWaalsContact C-N 3.28Å; L190-E192 PolarHBondContact O-N 2.8Å
191Q30.5Very low42.4Very low182 Ų182108.7 Ų108.785%0.8555%0.547SS*.  trans-65.287.8177.3-174.2174.71400108.7R189 C193R189-Q191 PolarHBondContact O-N 2.76Å; Q191-C193 PolarHBondContact O-N 3.23Å
192E32.4Very low40.4Very low143 Ų143113.3 Ų113.367%0.66858%0.576SS**  trans-67.4115.8160.2-80.7178.8165.400107.8L190 K388L190-E192 VanDerWaalsContact C-N 3.28Å; L190-E192 PolarHBondContact O-N 2.8Å; E192-K388 PolarHBondContact O-NZ 3.04Å
193C25.7Very low38.8Very low114 Ų114116 Ų11677%0.7759%0.587SS**  trans-33.7146.6170.2-850000113.1Q191 D195Q191-C193 PolarHBondContact O-N 3.23Å; C193-D195 PolarHBondContact O-N 2.9Å
194D30.7Very low37.3Very low159 Ų159119.2 Ų119.285%0.8561%0.609SS**  trans-31.8114.9170.5-70-55.5000113.1
195D33.7Very low36.1Very low144 Ų144121 Ų12177%0.7763%0.626SS**  trans-163.2122.1139.3-94.7-32.6000109.5C193C193-D195 PolarHBondContact O-N 2.9Å
196K33.3Very low35.2Very low176 Ų176122.6 Ų122.677%0.76564%0.635SS**  trans75.4107.9161.2-53.7177.5-173.4-178.80117.1E198K196-E198 VanDerWaalsContact C-N 3.25Å; K196-E198 PolarHBondContact O-N 3.01Å
197K29.4Very low34.5Very low209 Ų209123.6 Ų123.691%0.90965%0.646SS**  trans-62.585.5155.7-71.2179177.5177.70108.8T199K197-T199 PolarHBondContact O-N 3.46Å
198E32.4Very low34.2Very low151 Ų151123.7 Ų123.771%0.70664%0.637SS**  trans-71111.2165.8-76.2-175.7171.100108.6K196 Y200K196-E198 VanDerWaalsContact C-N 3.25Å; K196-E198 PolarHBondContact O-N 3.01Å; E198-Y200 PolarHBondContact O-N 3.14Å
199T27.4Very low33.6Very low132 Ų132129.2 Ų129.281%0.8166%0.657SS**  trans-74.5106.5170.3-480000105.9K197 S201K197-T199 PolarHBondContact O-N 3.46Å; T199-S201 PolarHBondContact O-N 3.39Å
200Y34.2Very low33.1Very low186 Ų186126.3 Ų126.373%0.72966%0.659SS**  trans-59.4106.1174.1-70.3-88.4000108.8E198E198-Y200 PolarHBondContact O-N 3.14Å
201S27.6Very low32.9Very low95 Ų95123.8 Ų123.866%0.66465%0.65SS**  trans-77.5143.1163.148.80000108T199 D203T199-S201 PolarHBondContact O-N 3.39Å; S201-D203 PolarHBondContact O-N 2.99Å
202P34Very low33Very low107 Ų107119.6 Ų119.670%0.69563%0.633SS**  trans-58.7115.1-179.921.5-30000109.1V204P202-V204 PolarHBondContact O-N 2.61Å
203D37.2Very low33Very low84 Ų84118.8 Ų118.845%0.44964%0.638SS.*  trans-70.499.7-168.6-167.3-0.5000110.3S201 S205 N206S201-D203 PolarHBondContact O-N 2.99Å; D203-S205 PolarHBondContact O-N 3.2Å; D203-S205 WeakPolarHBondContact OD1-CB 3.43Å; D203-S205 PolarHBondContact OD1-N 3.24Å; D203-S205 PolarHBondContact OD1-OG 3.27Å; D203-S205 PolarHBondContact OD2-OG 3.15Å; D203-N206 WeakPolarHBondContact O-CB 3.32Å; D203-N206 PolarHBondContact O-N 3.21Å
204V33.6Very low33.5Very low129 Ų129121.2 Ų121.278%0.78263%0.631SS**THydrogen-bonded Turntrans-60.6-10.8173.5-165.80000111.1P202 N206P202-V204 PolarHBondContact O-N 2.61Å; V204-N206 VanDerWaalsContact C-N 3.35Å
205S40.2Very low33.7Very low75 Ų75119.8 Ų119.852%0.52462%0.623SS.*THydrogen-bonded Turntrans-83-4.3173.684.90000114.5D203 P207D203-S205 PolarHBondContact O-N 3.2Å; D203-S205 WeakPolarHBondContact OD1-CB 3.43Å; D203-S205 PolarHBondContact OD1-N 3.24Å; D203-S205 PolarHBondContact OD1-OG 3.27Å; D203-S205 PolarHBondContact OD2-OG 3.15Å; S205-P207 WeakPolarHBondContact O-CD 3.15Å
206N40.6Very low34.2Very low55 Ų55122.5 Ų122.529%0.29463%0.628SS.*  trans-72.4107.8172-178.8-6.2000110.1D203 V204 F208 W209D203-N206 WeakPolarHBondContact O-CB 3.32Å; D203-N206 PolarHBondContact O-N 3.21Å; V204-N206 VanDerWaalsContact C-N 3.35Å; N206-F208 PolarHBondContact O-N 3.45Å; N206-F208 PolarHBondContact OD1-N 3.04Å; N206-W209 HydrophobicContact CB-CB 4.06Å; N206-W209 WeakPolarHBondContact O-CB 3.43Å; N206-W209 PolarHBondContact O-N 2.94Å
207P38.5Very low34.4Very low66 Ų66121.1 Ų121.143%0.42963%0.629SS.*THydrogen-bonded Turntrans-70.1-7.1-176.231.7-35.8000113.3S205 Y331S205-P207 WeakPolarHBondContact O-CD 3.15Å; P207-Y331 HydrophobicContact CB-CE1 4.28Å; P207-Y331 HydrophobicContact CG-CE1 3.92Å; P207-Y331 WeakPolarHBondContact CG-OH 3.16Å
208F33.9Very low34.4Very low76 Ų76113.5 Ų113.533%0.33360%0.602SS.*THydrogen-bonded Turntrans-104.51.5174.7-55.7-81.2000113N206 V210 Q318 Y331N206-F208 PolarHBondContact O-N 3.45Å; N206-F208 PolarHBondContact OD1-N 3.04Å; F208-V210 PolarHBondContact O-N 3.5Å; F208-V210 VanDerWaalsContact O-N 3.17Å; F208-Q318 HydrophobicContact CD2-CG 3.58Å; F208-Q318 HydrophobicContact CE2-CG 3.43Å; F208-Q318 VanDerWaalsContact CE2-CG 3.43Å; F208-Q318 HydrophobicContact CG-CG 4.18Å; F208-Q318 HydrophobicContact CZ-CG 3.92Å; F208-Y331 HydrophobicContact CE1-CD1 4.12Å; F208-Y331 HydrophobicContact CE1-CE1 4.38Å; F208-Y331 HydrophobicContact CE2-CD1 4.24Å; F208-Y331 AromaticContact CE2-CE1 3.97Å; F208-Y331 HydrophobicContact CE2-CE1 3.97Å; F208-Y331 AromaticContact CZ-CD1 3.51Å; F208-Y331 HydrophobicContact CZ-CD1 3.51Å; F208-Y331 AromaticContact CZ-CE1 3.68Å; F208-Y331 HydrophobicContact CZ-CE1 3.68Å
209W34.8Very low34.4Very low133 Ų133112.1 Ų112.150%0.50461%0.608SS.*  trans-70.4112.1172.6-170.979.9000108.8N206 P211N206-W209 HydrophobicContact CB-CB 4.06Å; N206-W209 WeakPolarHBondContact O-CB 3.43Å; N206-W209 PolarHBondContact O-N 2.94Å; W209-P211 HydrophobicContact CE3-CB 4.05Å; W209-P211 HydrophobicContact CE3-CG 3.8Å; W209-P211 HydrophobicContact CH2-CB 3.55Å; W209-P211 HydrophobicContact CH2-CG 4.15Å; W209-P211 HydrophobicContact CZ2-CB 4.39Å; W209-P211 HydrophobicContact CZ3-CB 3.35Å; W209-P211 HydrophobicContact CZ3-CG 3.4Å; W209-P211 VanDerWaalsContact CZ3-CG 3.4Å
210V31.7Very low34.3Very low118 Ų118114.8 Ų114.872%0.71561%0.609SS**  trans-86.3118.9164.6-178.30000105.7F208 D212F208-V210 PolarHBondContact O-N 3.5Å; F208-V210 VanDerWaalsContact O-N 3.17Å; V210-D212 PolarHBondContact O-N 3.31Å
211P29.7Very low34Very low65 Ų65112.1 Ų112.142%0.42261%0.607SS.*  trans-53.4136.1172.5-14.320.9000109.5W209 T213W209-P211 HydrophobicContact CE3-CB 4.05Å; W209-P211 HydrophobicContact CE3-CG 3.8Å; W209-P211 HydrophobicContact CH2-CB 3.55Å; W209-P211 HydrophobicContact CH2-CG 4.15Å; W209-P211 HydrophobicContact CZ2-CB 4.39Å; W209-P211 HydrophobicContact CZ3-CB 3.35Å; W209-P211 HydrophobicContact CZ3-CG 3.4Å; W209-P211 VanDerWaalsContact CZ3-CG 3.4Å; P211-T213 VanDerWaalsContact C-N 3.31Å; P211-T213 PolarHBondContact O-N 3.28Å
212D32.5Very low34.1Very low94 Ų94116.8 Ų116.850%0.50362%0.616SS.*  trans-62.498.1168.7-172.75.5000108.8V210 R214V210-D212 PolarHBondContact O-N 3.31Å; D212-R214 PolarHBondContact O-N 3.42Å; D212-R214 WeakPolarHBondContact OD1-CB 3.46Å; D212-R214 WeakPolarHBondContact OD1-CD 3.47Å; D212-R214 WeakPolarHBondContact OD1-CG 3.49Å; D212-R214 IonicContact OD1-CZ 3.63Å; D212-R214 PolarHBondContact OD1-N 3.08Å; D212-R214 VanDerWaalsContact OD1-N 3.09Å; D212-R214 IonicContact OD1-NE 3.87Å; D212-R214 PolarHBondContact OD1-NE 2.81Å; D212-R214 IonicContact OD1-NH2 3.35Å; D212-R214 IonicContact OD2-CZ 2.82Å; D212-R214 IonicContact OD2-NE 2.72Å; D212-R214 PolarHBondContact OD2-NE 2.91Å; D212-R214 IonicContact OD2-NH2 2.69Å; D212-R214 PolarHBondContact OD2-NH2 3.07Å
213T31.5Very low33.7Very low126 Ų126114.4 Ų114.477%0.77361%0.611SS**  trans-87.513.117846.60000111.6P211 D215P211-T213 VanDerWaalsContact C-N 3.31Å; P211-T213 PolarHBondContact O-N 3.28Å; T213-D215 PolarHBondContact O-N 3.48Å
214R36.2Very low33.2Very low166 Ų166120.9 Ų120.963%0.62664%0.635SS**  trans-68.1116.6179.6-68177.1-65.7-175.80.3110.3D212 K216D212-R214 PolarHBondContact O-N 3.42Å; D212-R214 WeakPolarHBondContact OD1-CB 3.46Å; D212-R214 WeakPolarHBondContact OD1-CD 3.47Å; D212-R214 WeakPolarHBondContact OD1-CG 3.49Å; D212-R214 IonicContact OD1-CZ 3.63Å; D212-R214 PolarHBondContact OD1-N 3.08Å; D212-R214 VanDerWaalsContact OD1-N 3.09Å; D212-R214 IonicContact OD1-NE 3.87Å; D212-R214 PolarHBondContact OD1-NE 2.81Å; D212-R214 IonicContact OD1-NH2 3.35Å; D212-R214 IonicContact OD2-CZ 2.82Å; D212-R214 IonicContact OD2-NE 2.72Å; D212-R214 PolarHBondContact OD2-NE 2.91Å; D212-R214 IonicContact OD2-NH2 2.69Å; D212-R214 PolarHBondContact OD2-NH2 3.07Å; R214-K216 PolarHBondContact O-N 2.81Å
215D36.3Very low32.9Very low129 Ų129122.9 Ų122.969%0.6964%0.642SS**  trans-57129.3166.3-123.7-24.2000108.9T213 D217 S218T213-D215 PolarHBondContact O-N 3.48Å; D215-D217 PolarHBondContact O-N 3.48Å; D215-S218 PolarHBondContact O-N 2.88Å; D215-S218 VanDerWaalsContact O-N 3.14Å
216K43Very low32.1Very low201 Ų201122.3 Ų122.387%0.87465%0.648SS**THydrogen-bonded Turntrans-59.8-12-177.2-74.6-176.5176.5179.40113.7R214R214-K216 PolarHBondContact O-N 2.81Å
217D37.1Very low31.2Very low146 Ų146122.8 Ų122.878%0.78167%0.666SS**THydrogen-bonded Turntrans-106.15.3-176.5-63.5-27.5000114.3D215 C219D215-D217 PolarHBondContact O-N 3.48Å; D217-C219 PolarHBondContact O-N 2.85Å
218S29.6Very low30.6Very low49 Ų49129.4 Ų129.434%0.34369%0.688SS.*  trans-77.8122.5178.286.80000112D215 F220D215-S218 PolarHBondContact O-N 2.88Å; D215-S218 VanDerWaalsContact O-N 3.14Å; S218-F220 PolarHBondContact O-N 3.06Å
219C33Very low30.1Very low123 Ų123131.2 Ų131.283%0.83171%0.711SS**SBendtrans-71.619.5-175.5-73.80000115.7D217D217-C219 PolarHBondContact O-N 2.85Å
220F26.4Very low29.7Very low187 Ų187132.8 Ų132.882%0.8273%0.728SS**  trans-115.563176.4-71.4-79.2000110.7S218 F222S218-F220 PolarHBondContact O-N 3.06Å; F220-F222 PolarHBondContact O-N 3.31Å
221N27.5Very low29.3Very low130 Ų130134.9 Ų134.970%0.69573%0.73SS**  trans-86.5103.6175.5-75.9-30.3000110.7G223N221-G223 PolarHBondContact O-N 3Å
222F28.6Very low29Very low193 Ų193136.9 Ų136.985%0.84675%0.745SS**  trans-82.293.6156-82.8-84.5000107.7F220 F224F220-F222 PolarHBondContact O-N 3.31Å; F222-F224 PolarHBondContact O-N 2.78Å
223G25.5Very low28.6Very low58 Ų58139.9 Ų139.960%0.59876%0.756SS**  trans-66.7124.1-177.900000112.7N221 D225N221-G223 PolarHBondContact O-N 3Å; G223-D225 VanDerWaalsContact C-N 3.3Å
224F26.9Very low28.2Very low219 Ų219143.4 Ų143.496%0.96176%0.761SS**  trans-99.557.1145.5-89.2-87.9000107.8F222 G226F222-F224 PolarHBondContact O-N 2.78Å; F224-G226 PolarHBondContact O-N 2.68Å
225D27.3Very low27.7Very low171 Ų171143.2 Ų143.291%0.91477%0.77SS**  trans-80.976.8168.8-88.4-22.7000108.9G223G223-D225 VanDerWaalsContact C-N 3.3Å
226G24Very low27Very low64 Ų64143.2 Ų143.266%0.6677%0.77SS**  trans-11373.6166.200000109.3F224 F228F224-G226 PolarHBondContact O-N 2.68Å; G226-F228 PolarHBondContact O-N 2.78Å
227G22Very low26Very low65 Ų65139 Ų13967%0.6777%0.767SS**  trans-10.4107.5178.200000119.3
228F25Very low25.3Very low205 Ų205140.9 Ų140.990%0.89977%0.768SS**  trans-118.679138.7-74.2-80.1000107.7G226 L230G226-F228 PolarHBondContact O-N 2.78Å; F228-L230 VanDerWaalsContact C-N 3.28Å; F228-L230 PolarHBondContact O-N 2.87Å
229S24.7Very low24.8Very low114 Ų114143.8 Ų143.880%0.79779%0.789SS**  trans-63.195165.6-76.90000108.3Q231S229-Q231 PolarHBondContact O-N 3.08Å
230L25.4Very low24.4Very low166 Ų166147.3 Ų147.387%0.86979%0.79SS**  trans-69.883170.2-150.486.7000107.5F228 S232F228-L230 VanDerWaalsContact C-N 3.28Å; F228-L230 PolarHBondContact O-N 2.87Å; L230-S232 VanDerWaalsContact C-N 3.33Å; L230-S232 PolarHBondContact O-N 2.82Å
231Q22.9Very low24.1Very low161 Ų161147 Ų14775%0.75279%0.791SS**  trans-67100164.6-85.4-174.9-11.100107.6S229 H233S229-Q231 PolarHBondContact O-N 3.08Å; Q231-H233 VanDerWaalsContact C-N 3.29Å; Q231-H233 PolarHBondContact O-N 3.41Å
232S24.2Very low23.9Very low107 Ų107148.2 Ų148.275%0.74880%0.798SS**  trans-60.686.3171.457.30000110.2L230 K234L230-S232 VanDerWaalsContact C-N 3.33Å; L230-S232 PolarHBondContact O-N 2.82Å; S232-K234 PolarHBondContact O-N 2.9Å
233H24.1Very low23.5Very low157 Ų157145 Ų14573%0.72779%0.794SS**  trans-79.4106.2162.7-95-71.5000108.7Q231 I235Q231-H233 VanDerWaalsContact C-N 3.29Å; Q231-H233 PolarHBondContact O-N 3.41Å; H233-I235 PolarHBondContact O-N 3.01Å; H233-I235 VanDerWaalsContact O-N 3.13Å
234K21.7Very low23.3Very low200 Ų200150.1 Ų150.187%0.8780%0.802SS**  trans-42.8112.2164.2-78.9173.1170.4176.20109.9S232S232-K234 PolarHBondContact O-N 2.9Å
235I26.1Very low23.1Very low162 Ų162145.4 Ų145.483%0.83179%0.792SS**  trans-114.1119.6159.3-64.5175.3000106.3H233H233-I235 PolarHBondContact O-N 3.01Å; H233-I235 VanDerWaalsContact O-N 3.13Å
236N23Very low23Very low129 Ų129144.5 Ų144.569%0.6978%0.782SS**  trans-54.8134.7-173-76.1-25.7000112.3F238N236-F238 PolarHBondContact O-N 3.25Å
237S21.7Very low23.1Very low114 Ų114147 Ų14780%0.79779%0.785SS**  trans-45.3113.616250.10000111.6
238F21.3Very low23.3Very low184 Ų184150.2 Ų150.281%0.80779%0.791SS**  trans-108.3112.1154.5-90.5-84.4000107.4N236 F240N236-F238 PolarHBondContact O-N 3.25Å; F238-F240 PolarHBondContact O-N 2.91Å
239S19.9Very low23.5Very low111 Ų111147 Ų14778%0.77678%0.777SS**  trans-60.9120.8172.148.90000109.8
240F23.5Very low23.8Very low196 Ų196145.4 Ų145.486%0.8677%0.766SS**  trans-112118.8159.5-102.3-89.1000107.7F238F238-F240 PolarHBondContact O-N 2.91Å
241E20.9Very low24.2Very low180 Ų180142.4 Ų142.484%0.84175%0.754SS**  trans-62135.3177.2-74.7174.2140.600110.9T243E241-T243 PolarHBondContact O-N 3.11Å; E241-T243 VanDerWaalsContact O-N 3.12Å
242D22.6Very low24.5Very low157 Ų157137.3 Ų137.384%0.8475%0.745SS**  trans-56.6108.9174.3-66.7-50.2000110.5
243T21.6Very low24.8Very low125 Ų125136.8 Ų136.877%0.76773%0.73SS**  trans-113.990.215924.40000108.3E241 T245E241-T243 PolarHBondContact O-N 3.11Å; E241-T243 VanDerWaalsContact O-N 3.12Å; T243-T245 PolarHBondContact O-N 3.21Å
244E21.6Very low25.2Very low165 Ų165133.4 Ų133.477%0.77172%0.717SS**  trans-5398.8167.1-72.1-179142.700109.8H246E244-H246 PolarHBondContact O-N 2.89Å
245T22.6Very low25.5Very low121 Ų121131.4 Ų131.474%0.74271%0.705SS**  trans-95.990.116645.40000108.4T243 T247T243-T245 PolarHBondContact O-N 3.21Å; T245-T247 PolarHBondContact O-N 3Å
246H23.5Very low25.9Very low152 Ų152126.8 Ų126.870%0.70469%0.687SS**  trans-55.797.2167.6-73.6-77.1000110.2E244 T248E244-H246 PolarHBondContact O-N 2.89Å; H246-T248 PolarHBondContact O-N 3.29Å
247T27.2Very low26.3Very low117 Ų117122.8 Ų122.872%0.71867%0.671SS**  trans-93.392164.545.30000108.8T245 K249T245-T247 PolarHBondContact O-N 3Å; T247-K249 PolarHBondContact O-N 3.13Å
248T26.8Very low26.7Very low132 Ų132122 Ų12281%0.8166%0.658SS**  trans-71.672.9170.843.80000110.2H246H246-T248 PolarHBondContact O-N 3.29Å
249K28.5Very low27.3Very low138 Ų138116.9 Ų116.960%0.665%0.645SS**  trans-108.2120.6168.7-69.8-171.9179177.20109.5T247 Q253T247-K249 PolarHBondContact O-N 3.13Å; K249-Q253 HydrophobicContact CB-CB 4.31Å
250S30.7Very low27.6Very low80 Ų80117.9 Ų117.956%0.55964%0.637SS**  trans-66.1152.3176.472.90000110.7G252 Q253S250-G252 PolarHBondContact O-N 3.43Å; S250-Q253 WeakPolarHBondContact O-CB 3.25Å; S250-Q253 PolarHBondContact O-N 2.95Å
251V33.6Very low27.8Very low103 Ų103114.1 Ų114.162%0.62463%0.626SS**Hα-helixtrans-48.7-33.6-173.3179.80000113.2Q253 I254 Y255V251-Q253 PolarHBondContact O-N 2.78Å; V251-I254 PolarHBondContact O-N 3.24Å; V251-Y255 HydrophobicContact CG1-CD2 4.46Å; V251-Y255 HydrophobicContact CG1-CE2 4.03Å; V251-Y255 WeakPolarHBondContact O-CD2 3.23Å
252G28.9Very low28.3Very low54 Ų54110.8 Ų110.856%0.55762%0.618SS**Hα-helixtrans-66.1-30.6176.700000114.9S250S250-G252 PolarHBondContact O-N 3.43Å
253Q30.2Very low28.5Very low95 Ų95107 Ų10744%0.44460%0.604SS.*Hα-helixtrans-75.1-29.1178.5-69.9177.1-25.100112.2K249 S250 V251 Y255 S256 A257K249-Q253 HydrophobicContact CB-CB 4.31Å; S250-Q253 WeakPolarHBondContact O-CB 3.25Å; S250-Q253 PolarHBondContact O-N 2.95Å; V251-Q253 PolarHBondContact O-N 2.78Å; Q253-Y255 VanDerWaalsContact C-N 3.32Å; Q253-Y255 PolarHBondContact O-N 2.87Å; Q253-S256 PolarHBondContact O-N 2.83Å; Q253-S256 PolarHBondContact O-OG 3.33Å; Q253-A257 PolarHBondContact O-N 2.9Å; Q253-A257 VanDerWaalsContact O-N 3.16Å
254I32.7Very low28.6Very low86 Ų86111.4 Ų111.444%0.44161%0.606SS.*Hα-helixtrans-62.7-40.7176-58.9176.5000110.1V251 S256 A257 L258V251-I254 PolarHBondContact O-N 3.24Å; I254-S256 PolarHBondContact O-N 3.35Å; I254-A257 PolarHBondContact O-N 3.45Å; I254-L258 HydrophobicContact CG2-CD1 3.83Å; I254-L258 WeakPolarHBondContact O-CD1 3.37Å; I254-L258 WeakPolarHBondContact O-CG 3.48Å; I254-L258 PolarHBondContact O-N 2.72Å
255Y29.7Very low28.7Very low159 Ų159109.3 Ų109.362%0.62461%0.609SS**Hα-helixtrans-63.8-38.5176.8-79.1-78.1000113.5V251 Q253 L258 S259V251-Y255 HydrophobicContact CG1-CD2 4.46Å; V251-Y255 HydrophobicContact CG1-CE2 4.03Å; V251-Y255 WeakPolarHBondContact O-CD2 3.23Å; Q253-Y255 VanDerWaalsContact C-N 3.32Å; Q253-Y255 PolarHBondContact O-N 2.87Å; Y255-L258 PolarHBondContact O-N 2.93Å; Y255-S259 PolarHBondContact O-N 3.31Å
256S32.8Very low28.8Very low64 Ų64111 Ų11145%0.44861%0.608SS.*Hα-helixtrans-70.6-33.4176.575.70000113Q253 I254 S259 H260Q253-S256 PolarHBondContact O-N 2.83Å; Q253-S256 PolarHBondContact O-OG 3.33Å; I254-S256 PolarHBondContact O-N 3.35Å; S256-S259 PolarHBondContact O-OG 3.25Å; S256-H260 PolarHBondContact O-CD2 3.48Å; S256-H260 VanDerWaalsContact O-CD2 3.24Å; S256-H260 PolarHBondContact O-N 2.97Å
257A31.6Very low28.8Very low45 Ų45110.6 Ų110.637%0.37261%0.611SS.*Hα-helixtrans-71.1-36.1177.400000111.4Q253 I254 H260 N261Q253-A257 PolarHBondContact O-N 2.9Å; Q253-A257 VanDerWaalsContact O-N 3.16Å; I254-A257 PolarHBondContact O-N 3.45Å; A257-H260 PolarHBondContact O-N 3.28Å; A257-N261 PolarHBondContact O-N 3.08Å; A257-N261 VanDerWaalsContact O-N 3.07Å
258L31Very low28.9Very low99 Ų99110.4 Ų110.452%0.51861%0.614SS.*Hα-helixtrans-67.1-38.2175.8-75.9160.5000112.1I254 Y255 H260 V262I254-L258 HydrophobicContact CG2-CD1 3.83Å; I254-L258 WeakPolarHBondContact O-CD1 3.37Å; I254-L258 WeakPolarHBondContact O-CG 3.48Å; I254-L258 PolarHBondContact O-N 2.72Å; Y255-L258 PolarHBondContact O-N 2.93Å; L258-H260 VanDerWaalsContact C-N 3.3Å; L258-H260 PolarHBondContact O-N 2.9Å; L258-V262 WeakPolarHBondContact O-CG2 3.36Å
259S33.1Very low28.7Very low76 Ų76111.4 Ų111.453%0.53162%0.615SS.*Hα-helixtrans-66.5-31.317563.50000113Y255 S256Y255-S259 PolarHBondContact O-N 3.31Å; S256-S259 PolarHBondContact O-OG 3.25Å
260H27.4Very low28.5Very low131 Ų131111 Ų11161%0.60663%0.628SS**Hα-helixtrans-84.7-25.5-179.1-83.2-67.9000114.8S256 A257 L258 S263S256-H260 PolarHBondContact O-CD2 3.48Å; S256-H260 VanDerWaalsContact O-CD2 3.24Å; S256-H260 PolarHBondContact O-N 2.97Å; A257-H260 PolarHBondContact O-N 3.28Å; L258-H260 VanDerWaalsContact C-N 3.3Å; L258-H260 PolarHBondContact O-N 2.9Å; H260-S263 PolarHBondContact O-OG 3.03Å; H260-S263 VanDerWaalsContact O-OG 3.06Å
261N27Very low28.1Very low117 Ų117112.6 Ų112.663%0.62664%0.639SS**Hα-helixtrans-79.8-24.7178.5-80.2-16.8000113A257A257-N261 PolarHBondContact O-N 3.08Å; A257-N261 VanDerWaalsContact O-N 3.07Å
262V30.8Very low27.6Very low111 Ų111110.7 Ų110.767%0.67364%0.64SS**Hα-helixtrans-78.9-25.7178.7-1800000112.2L258 R264 C265L258-V262 WeakPolarHBondContact O-CG2 3.36Å; V262-R264 PolarHBondContact O-N 3.42Å; V262-R264 VanDerWaalsContact O-N 3.13Å; V262-C265 PolarHBondContact O-N 3.42Å
263S27.3Very low27.5Very low78 Ų78117.4 Ų117.455%0.54566%0.657SS.*THydrogen-bonded Turntrans-72.80.7175.3620000114.6H260H260-S263 PolarHBondContact O-OG 3.03Å; H260-S263 VanDerWaalsContact O-OG 3.06Å
264R23.4Very low27.3Very low216 Ų216117.7 Ų117.782%0.81567%0.669SS**THydrogen-bonded Turntrans-102.90.1178.2-85.2-173.3172.8-178.2-0.9114.7V262 E266V262-R264 PolarHBondContact O-N 3.42Å; V262-R264 VanDerWaalsContact O-N 3.13Å; R264-E266 VanDerWaalsContact C-N 3.31Å; R264-E266 PolarHBondContact O-N 3.39Å
265C23.5Very low27.1Very low122 Ų122119.8 Ų119.882%0.82469%0.688SS**  trans-96.755170-72.40000110.9V262V262-C265 PolarHBondContact O-N 3.42Å
266E24.2Very low27Very low157 Ų157120.9 Ų120.973%0.73470%0.699SS**  trans-105.2136.3160.3-74.2-172.1163.200108.7R264R264-E266 VanDerWaalsContact C-N 3.31Å; R264-E266 PolarHBondContact O-N 3.39Å
267N24.5Very low26.6Very low143 Ų143127.9 Ų127.977%0.76572%0.721SS**  trans84.475.3168.1-51.6-31000117.7
268S28.8Very low26.3Very low112 Ų112129.6 Ų129.678%0.78373%0.731SS**  trans-115.3108135.855.90000109.4C270S268-C270 PolarHBondContact O-N 3.5Å
269N22.7Very low26Very low153 Ų153133.3 Ų133.382%0.81875%0.751SS**  trans-58.4110.5177.3-71.3-37.1000110.7
270C24.4Very low25.5Very low130 Ų130136.6 Ų136.688%0.87876%0.756SS**  trans-109.287161.3-69.10000108.9S268S268-C270 PolarHBondContact O-N 3.5Å
271S23Very low25.4Very low114 Ų114135.3 Ų135.380%0.79776%0.757SS**  trans-72127168.4540000111.1
272G23.4Very low25.2Very low62 Ų62137.7 Ų137.764%0.63976%0.758SS**  trans81.595.5141.600000117.8
273H27Very low24.9Very low196 Ų196139.1 Ų139.191%0.90776%0.761SS**  trans-154130130.7-89.2-62.2000109.5
274S25.4Very low25.1Very low101 Ų101142 Ų14271%0.70676%0.761SS**  trans-62.7141.8-178.345.20000113E276S274-E276 PolarHBondContact O-N 3Å
275P28.5Very low25.6Very low130 Ų130135.7 Ų135.784%0.84475%0.748SS**  trans-86.193.4-177.333.3-31.1000111.1K277P275-K277 PolarHBondContact O-N 2.69Å
276E26.7Very low26.6Very low181 Ų181132.5 Ų132.585%0.84673%0.727SS**  trans-83.7108.7161.1-81.7-170.5156.700110.5S274 S278S274-E276 PolarHBondContact O-N 3Å; E276-S278 PolarHBondContact O-N 3.41Å
277K25.5Very low28Very low211 Ų211126 Ų12692%0.91770%0.699SS**  trans19.792.8146.1-65.8177.9177.9177.80117.1P275P275-K277 PolarHBondContact O-N 2.69Å
278S25.4Very low29.6Very low82 Ų82120.1 Ų120.157%0.57367%0.667SS**  trans-153.7111.2132.161.70000108.8E276 K280E276-S278 PolarHBondContact O-N 3.41Å; S278-K280 PolarHBondContact O-N 2.93Å
279N24.5Very low31.2Very low176 Ų176118.5 Ų118.594%0.94165%0.649SS**  trans-75.470.6172.1-87.8-14.8000108.7V281N279-V281 PolarHBondContact O-N 3.14Å
280K22.4Very low33Very low145 Ų145114.3 Ų114.363%0.6362%0.624SS**  trans-79.4110.2167.9-70.1-178.9179.9178.30108S278 Y282S278-K280 PolarHBondContact O-N 2.93Å; K280-Y282 HydrophobicContact CB-CE2 4.32Å; K280-Y282 PolarHBondContact O-N 3.45Å
281V24.9Very low34.9Very low105 Ų105108.6 Ų108.664%0.63659%0.585SS**  trans-79.3110.3168.2178.30000107.2N279 I283N279-V281 PolarHBondContact O-N 3.14Å; V281-I283 PolarHBondContact O-N 3.08Å
282Y23.5Very low37.1Very low166 Ų166105.7 Ų105.765%0.65156%0.559SS**  trans-75.2109.3174.1-66.9-90.4000109K280K280-Y282 HydrophobicContact CB-CE2 4.32Å; K280-Y282 PolarHBondContact O-N 3.45Å
283I25.1Very low39.2Very low142 Ų142107.1 Ų107.173%0.72855%0.552SS**  trans-78119.8160.2-56.9174.3000105V281 P285V281-I283 PolarHBondContact O-N 3.08Å; I283-P285 WeakPolarHBondContact O-CD 3.2Å
284Y31.2Very low41Very low137 Ų13799.8 Ų99.854%0.53752%0.52SS..  trans-8895.4177.3-70.9-89.3000109.8S286 S287Y284-S286 PolarHBondContact O-N 3.4Å; Y284-S287 WeakPolarHBondContact O-CB 3.49Å; Y284-S287 PolarHBondContact O-N 3.01Å; Y284-S287 PolarHBondContact O-OG 3.5Å
285P33.6Very low43.2Very low84 Ų8495.4 Ų95.455%0.54549%0.488SS..Hα-helixtrans-62.6-21.3173.923.7-33.7000113.2I283 S287I283-P285 WeakPolarHBondContact O-CD 3.2Å; P285-S287 PolarHBondContact O-N 2.87Å
286S44.4Very low45Very low55 Ų5593 Ų9339%0.38548%0.479SS..Hα-helixtrans-60-30.1174.850.30000113.1Y284 I289 E290Y284-S286 PolarHBondContact O-N 3.4Å; S286-I289 PolarHBondContact O-N 3.17Å; S286-E290 WeakPolarHBondContact O-CB 3.29Å; S286-E290 WeakPolarHBondContact O-CG 3.43Å; S286-E290 PolarHBondContact O-N 2.78Å
287S53.4Low46.9Very low21 Ų2188.5 Ų88.515%0.14747%0.466CS..Hα-helixtrans-62-48.6-174.465.50000113.6H186 Y284 P285 E290 L291H186-S287 WeakPolarHBondContact NE2-CA 3.37Å; H186-S287 WeakPolarHBondContact NE2-CB 3.28Å; H186-S287 PolarHBondContact NE2-O 2.74Å; Y284-S287 WeakPolarHBondContact O-CB 3.49Å; Y284-S287 PolarHBondContact O-N 3.01Å; Y284-S287 PolarHBondContact O-OG 3.5Å; P285-S287 PolarHBondContact O-N 2.87Å; S287-E290 PolarHBondContact O-N 3.34Å; S287-L291 PolarHBondContact O-N 2.75Å; S287-L291 VanDerWaalsContact O-N 3.08Å
288H57.8Low48.8Very low20 Ų2079 Ų799%0.09343%0.427CS..Hα-helixtrans-68.6-42.3-179.1-173.882000112.2E290 L291 M292 V513H288-E290 VanDerWaalsContact C-N 3.28Å; H288-E290 PolarHBondContact O-N 3.5Å; H288-L291 PolarHBondContact O-N 3.26Å; H288-M292 WeakPolarHBondContact CE1-CE 3.31Å; H288-M292 VanDerWaalsContact NE2-CE 3.25Å; H288-M292 WeakPolarHBondContact NE2-CE 3.38Å; H288-M292 WeakPolarHBondContact O-CB 3.29Å; H288-M292 VanDerWaalsContact O-CG 3.28Å; H288-M292 WeakPolarHBondContact O-CG 3.28Å; H288-M292 PolarHBondContact O-N 2.96Å; H288-V513 HydrophobicContact CB-CG1 4.46Å
289I62.2Low50.9Low78 Ų7877.7 Ų77.740%0.442%0.416SS..Hα-helixtrans-61.2-41.1177.6-64.7166.3000110.1S286 M292 N293S286-I289 PolarHBondContact O-N 3.17Å; I289-M292 PolarHBondContact O-N 2.86Å; I289-N293 WeakPolarHBondContact O-CB 3.36Å; I289-N293 PolarHBondContact O-N 2.94Å; I289-N293 PolarHBondContact O-ND2 2.97Å
290E60.8Low53.4Low64 Ų6470.6 Ų70.630%0.29938%0.38SS..Hα-helixtrans-63.9-44.3176.3-74.8171.9-152.900112.7R189 S286 S287 H288 M292 N293 L294R189-E290 IonicContact CZ-OE2 3.8Å; R189-E290 VanDerWaalsContact CZ-OE2 3.24Å; R189-E290 IonicContact NH1-OE2 2.66Å; R189-E290 PolarHBondContact NH1-OE2 2.93Å; R189-E290 IonicContact NH2-OE2 3.07Å; R189-E290 PolarHBondContact NH2-OE2 2.86Å; S286-E290 WeakPolarHBondContact O-CB 3.29Å; S286-E290 WeakPolarHBondContact O-CG 3.43Å; S286-E290 PolarHBondContact O-N 2.78Å; S287-E290 PolarHBondContact O-N 3.34Å; H288-E290 VanDerWaalsContact C-N 3.28Å; H288-E290 PolarHBondContact O-N 3.5Å; E290-M292 VanDerWaalsContact C-N 3.32Å; E290-M292 PolarHBondContact O-N 2.93Å; E290-N293 PolarHBondContact O-N 3.01Å; E290-L294 WeakPolarHBondContact O-CB 3.29Å; E290-L294 PolarHBondContact O-N 2.74Å
291L65.1Low56.2Low10 Ų1064.4 Ų64.45%0.05236%0.356CS..Hα-helixtrans-61.5-42174179.463000111.4S287 H288 L294 L295 V507S287-L291 PolarHBondContact O-N 2.75Å; S287-L291 VanDerWaalsContact O-N 3.08Å; H288-L291 PolarHBondContact O-N 3.26Å; L291-L294 WeakPolarHBondContact O-CB 3.12Å; L291-L294 PolarHBondContact O-N 2.92Å; L291-L295 HydrophobicContact CD1-CD1 4.47Å; L291-L295 HydrophobicContact CG-CD1 4.05Å; L291-L295 WeakPolarHBondContact O-CB 2.98Å; L291-L295 WeakPolarHBondContact O-CD1 3.41Å; L291-L295 VanDerWaalsContact O-CG 3.29Å; L291-L295 WeakPolarHBondContact O-CG 3.32Å; L291-L295 PolarHBondContact O-N 3.47Å; L291-V507 HydrophobicContact CD1-CG2 4.4Å
292M69.1Low59.1Low54 Ų5463.1 Ų63.127%0.26635%0.345SS..Hα-helixtrans-64.6-40.2176.7-70.8-60.617400112.1H288 I289 E290 L295 A296 I514H288-M292 WeakPolarHBondContact CE1-CE 3.31Å; H288-M292 VanDerWaalsContact NE2-CE 3.25Å; H288-M292 WeakPolarHBondContact NE2-CE 3.38Å; H288-M292 WeakPolarHBondContact O-CB 3.29Å; H288-M292 VanDerWaalsContact O-CG 3.28Å; H288-M292 WeakPolarHBondContact O-CG 3.28Å; H288-M292 PolarHBondContact O-N 2.96Å; I289-M292 PolarHBondContact O-N 2.86Å; E290-M292 VanDerWaalsContact C-N 3.32Å; E290-M292 PolarHBondContact O-N 2.93Å; M292-L295 PolarHBondContact O-N 3.25Å; M292-L295 HydrophobicContact SD-CD1 3.91Å; M292-A296 WeakPolarHBondContact O-CB 3.41Å; M292-A296 PolarHBondContact O-N 2.9Å; M292-I514 HydrophobicContact CE-CD1 4.39Å
293N66.1Low62.2Low92 Ų9258.1 Ų58.149%0.49233%0.327SS..Hα-helixtrans-62.8-41.9172.6-71.9-19.2000111.3I289 E290 A296 C297I289-N293 WeakPolarHBondContact O-CB 3.36Å; I289-N293 PolarHBondContact O-N 2.94Å; I289-N293 PolarHBondContact O-ND2 2.97Å; E290-N293 PolarHBondContact O-N 3.01Å; N293-A296 PolarHBondContact O-N 3.49Å; N293-C297 VanDerWaalsContact O-CB 3.29Å; N293-C297 WeakPolarHBondContact O-CB 3.28Å; N293-C297 PolarHBondContact O-N 2.91Å; N293-C297 PolarHBondContact O-SG 2.86Å
294L66.4Low65.4Low42 Ų4255.9 Ų55.922%0.2232%0.32CS..Hα-helixtrans-62.5-43176.1-174.369.9000111.8E290 L291 A296 C297 S298 L321 L386 K388E290-L294 WeakPolarHBondContact O-CB 3.29Å; E290-L294 PolarHBondContact O-N 2.74Å; L291-L294 WeakPolarHBondContact O-CB 3.12Å; L291-L294 PolarHBondContact O-N 2.92Å; L294-A296 VanDerWaalsContact C-N 3.27Å; L294-A296 PolarHBondContact O-N 3.28Å; L294-C297 PolarHBondContact O-N 2.99Å; L294-S298 PolarHBondContact O-N 2.81Å; L294-S298 VanDerWaalsContact O-N 3.07Å; L294-L321 HydrophobicContact CD2-CD2 3.76Å; L294-L321 HydrophobicContact CG-CD2 3.85Å; L294-L386 HydrophobicContact CD2-CD1 4.39Å; L294-K388 WeakPolarHBondContact CD1-O 3.3Å
295L70.1Confident68.3Low9 Ų949.6 Ų49.65%0.04730%0.295CS..Hα-helixtrans-63.7-31.5175.4-74.3161.6000113L291 M292 S298 R319 L321 C323 V507L291-L295 HydrophobicContact CD1-CD1 4.47Å; L291-L295 HydrophobicContact CG-CD1 4.05Å; L291-L295 WeakPolarHBondContact O-CB 2.98Å; L291-L295 WeakPolarHBondContact O-CD1 3.41Å; L291-L295 VanDerWaalsContact O-CG 3.29Å; L291-L295 WeakPolarHBondContact O-CG 3.32Å; L291-L295 PolarHBondContact O-N 3.47Å; M292-L295 PolarHBondContact O-N 3.25Å; M292-L295 HydrophobicContact SD-CD1 3.91Å; L295-S298 PolarHBondContact O-OG 2.79Å; L295-R319 PolarHBondContact O-NH1 2.99Å; L295-L321 HydrophobicContact CD2-CD2 3.9Å; L295-L321 HydrophobicContact CD2-CG 3.7Å; L295-L321 HydrophobicContact CG-CD2 4.26Å; L295-C323 WeakPolarHBondContact CD1-SG 3.21Å; L295-V507 HydrophobicContact CD2-CG2 4.09Å
296A67.1Low71.1Confident79 Ų7948.9 Ų48.965%0.65329%0.293SS*.Hα-helixtrans-80.1-32.2176.600000112.7M292 N293 L294M292-A296 WeakPolarHBondContact O-CB 3.41Å; M292-A296 PolarHBondContact O-N 2.9Å; N293-A296 PolarHBondContact O-N 3.49Å; L294-A296 VanDerWaalsContact C-N 3.27Å; L294-A296 PolarHBondContact O-N 3.28Å
297C65.6Low73.3Confident86 Ų8647.1 Ų47.158%0.58128%0.279SS*.Hα-helixtrans-96.21.3-175.8-66.10000114.4N293 L294 P299N293-C297 VanDerWaalsContact O-CB 3.29Å; N293-C297 WeakPolarHBondContact O-CB 3.28Å; N293-C297 PolarHBondContact O-N 2.91Å; N293-C297 PolarHBondContact O-SG 2.86Å; L294-C297 PolarHBondContact O-N 2.99Å; C297-P299 WeakPolarHBondContact O-CD 3.46Å
298S67.3Low75Confident13 Ų1353.1 Ų53.19%0.09132%0.318CS..PPolyproline II helixtrans-61.3120.7177.757.60000110.2L294 L295 R319L294-S298 PolarHBondContact O-N 2.81Å; L294-S298 VanDerWaalsContact O-N 3.07Å; L295-S298 PolarHBondContact O-OG 2.79Å; S298-R319 WeakPolarHBondContact OG-CB 3.28Å; S298-R319 WeakPolarHBondContact OG-CD 3.48Å
299P68.8Low76.4Confident54 Ų5455.8 Ų55.835%0.35133%0.327SS..PPolyproline II helixtrans-71.1156.5-175.828.9-34.9000111.4C297 A301 I389C297-P299 WeakPolarHBondContact O-CD 3.46Å; P299-A301 PolarHBondContact O-N 2.8Å; P299-I389 HydrophobicContact CG-CG2 3.3Å
300P76.1Confident77.7Confident26 Ų2653.2 Ų53.217%0.16932%0.32CS..PPolyproline II helixtrans-60.6139.317227-34000110.3F317 Q318P300-F317 CarbonylContact C-O 3.5Å; P300-F317 VanDerWaalsContact CA-O 3.22Å; P300-F317 WeakPolarHBondContact CA-O 3.04Å; P300-F317 WeakPolarHBondContact CB-O 3.33Å; P300-Q318 WeakPolarHBondContact CA-O 3.05Å
301A80.9Confident79.2Confident16 Ų1652.3 Ų52.313%0.13231%0.314CS..EExtended strand (participates in β ladder)trans-102.5117.2177.200000109.6P299 F303 S316 F317 T320P299-A301 PolarHBondContact O-N 2.8Å; A301-F303 HydrophobicContact CB-CD2 4.45Å; A301-F303 HydrophobicContact CB-CE2 3.66Å; A301-F303 HydrophobicContact CB-CZ 4.09Å; A301-S316 CarbonylContact O-C 3.54Å; A301-S316 WeakPolarHBondContact O-CA 3.48Å; A301-F317 HydrophobicContact CB-CB 4.37Å; A301-F317 HydrophobicContact CB-CD2 4.3Å; A301-F317 PolarHBondContact N-O 3.47Å; A301-F317 PolarHBondContact O-N 3.18Å; A301-T320 HydrophobicContact CB-CG2 3.49Å; A301-T320 VanDerWaalsContact CB-CG2 3.49Å
302N87Confident80.5Confident77 Ų7751.8 Ų51.841%0.41231%0.312SS..EExtended strand (participates in β ladder)trans-112.1128.1-179.6-65.5-69.3000109.3S316N302-S316 VanDerWaalsContact OD1-CB 3.3Å; N302-S316 WeakPolarHBondContact OD1-CB 3.29Å; N302-S316 PolarHBondContact OD1-OG 3.38Å
303F89Confident81.6Confident61 Ų6149.3 Ų49.327%0.26830%0.299SS..EExtended strand (participates in β ladder)trans-129.1132-178.6-59.3-86.5000111.3A301 R314 L315 F317 W500 I502A301-F303 HydrophobicContact CB-CD2 4.45Å; A301-F303 HydrophobicContact CB-CE2 3.66Å; A301-F303 HydrophobicContact CB-CZ 4.09Å; F303-R314 CarbonylContact O-C 3.46Å; F303-R314 VanDerWaalsContact O-CA 3.27Å; F303-R314 WeakPolarHBondContact O-CA 3.3Å; F303-R314 WeakPolarHBondContact O-CG 3.22Å; F303-L315 PolarHBondContact N-O 2.86Å; F303-L315 PolarHBondContact O-N 2.83Å; F303-F317 AromaticContact CD2-CD2 3.88Å; F303-F317 HydrophobicContact CD2-CD2 3.88Å; F303-F317 AromaticContact CD2-CE2 3.74Å; F303-F317 HydrophobicContact CD2-CE2 3.74Å; F303-F317 AromaticContact CE2-CD2 3.61Å; F303-F317 HydrophobicContact CE2-CD2 3.61Å; F303-F317 AromaticContact CE2-CE2 3.6Å; F303-F317 HydrophobicContact CE2-CE2 3.6Å; F303-W500 HydrophobicContact CB-CH2 3.2Å; F303-W500 HydrophobicContact CB-CZ2 3.95Å; F303-W500 HydrophobicContact CB-CZ3 4.08Å; F303-W500 AromaticContact CD1-CH2 3.86Å; F303-W500 HydrophobicContact CD1-CH2 3.86Å; F303-W500 AromaticContact CD1-CZ2 3.94Å; F303-W500 HydrophobicContact CD1-CZ2 3.94Å; F303-W500 HydrophobicContact CD2-CH2 4.12Å; F303-W500 AromaticContact CG-CH2 3.5Å; F303-W500 HydrophobicContact CG-CH2 3.5Å; F303-W500 VanDerWaalsContact CG-CH2 3.5Å; F303-W500 HydrophobicContact CG-CZ2 4.07Å; F303-I502 HydrophobicContact CD2-CD1 4.47Å; F303-I502 HydrophobicContact CE2-CG2 3.9Å; F303-I502 HydrophobicContact CZ-CG2 3.77Å
304V92.2Very high82.9Confident96 Ų9649 Ų4958%0.58229%0.291SS*.EExtended strand (participates in β ladder)trans-89.5120.5174.91660000108.6Y311V304-Y311 HydrophobicContact CG1-CD2 3.92Å; V304-Y311 HydrophobicContact CG1-CE2 3.81Å
305I92.1Very high84.2Confident4 Ų447 Ų472%0.02128%0.281CS..EExtended strand (participates in β ladder)trans-98.6115.2176.1-51178.2000108V312 G313 L315 F332 L457 F498 W500I305-V312 HydrophobicContact CB-CB 4.23Å; I305-V312 HydrophobicContact CG2-CB 3.94Å; I305-V312 HydrophobicContact CG2-CG1 4.32Å; I305-V312 HydrophobicContact CG2-CG2 4.24Å; I305-V312 WeakPolarHBondContact O-CB 3.43Å; I305-V312 PolarHBondContact O-N 2.9Å; I305-G313 WeakPolarHBondContact CA-O 3.21Å; I305-G313 WeakPolarHBondContact CB-O 3.38Å; I305-G313 PolarHBondContact N-O 3.25Å; I305-G313 PolarHBondContact O-N 3.47Å; I305-L315 HydrophobicContact CD1-CB 4.04Å; I305-F332 HydrophobicContact CD1-CD1 4.44Å; I305-F332 HydrophobicContact CD1-CE1 3.95Å; I305-L457 HydrophobicContact CD1-CD2 4.33Å; I305-F498 HydrophobicContact CG2-CD1 4.36Å; I305-F498 HydrophobicContact CG2-CE1 3.78Å; I305-F498 HydrophobicContact CG2-CZ 4.43Å; I305-W500 HydrophobicContact CD1-CE3 3.73Å; I305-W500 HydrophobicContact CD1-CZ3 3.61Å; I305-W500 HydrophobicContact CG1-CE3 3.79Å; I305-W500 HydrophobicContact CG1-CH2 4.31Å; I305-W500 HydrophobicContact CG1-CZ3 3.51Å
306S92Very high85.2Confident70 Ų7046.6 Ų46.649%0.4928%0.279SS..EExtended strand (participates in β ladder)trans-133.1151.2176.360.50000110.7
307T90Very high86.1Confident17 Ų1743 Ų4310%0.10425%0.248CC..EExtended strand (participates in β ladder)trans-120.3168.9172.7640000108.7R309 G310 V312 L459 F498T307-R309 PolarHBondContact O-N 2.95Å; T307-R309 PolarHBondContact OG1-N 2.89Å; T307-G310 PolarHBondContact N-O 3.01Å; T307-G310 PolarHBondContact O-N 2.79Å; T307-G310 PolarHBondContact OG1-N 3.14Å; T307-G310 PolarHBondContact OG1-O 3.46Å; T307-V312 HydrophobicContact CG2-CG2 3.73Å; T307-L459 HydrophobicContact CG2-CD1 3.56Å; T307-F498 HydrophobicContact CG2-CD2 3.87Å; T307-F498 HydrophobicContact CG2-CE2 4.07Å; T307-F498 HydrophobicContact CG2-CG 4.36Å
308P88.7Confident86.8Confident147 Ų14741.8 Ų41.896%0.95523%0.234SC*.THydrogen-bonded Turntrans-55-20.2170.1-26.936.1000114.1
309R87.2Confident87.5Confident77 Ų7744.1 Ų44.129%0.29124%0.241SC..THydrogen-bonded Turntrans-85.4-11.9177.7-61.9173.363-138.7-2.2113.4T307 V339 I460 S461 N463 E496T307-R309 PolarHBondContact O-N 2.95Å; T307-R309 PolarHBondContact OG1-N 2.89Å; R309-V339 HydrophobicContact CB-CG2 3.86Å; R309-I460 VanDerWaalsContact CZ-O 3.25Å; R309-I460 PolarHBondContact NH1-O 3.02Å; R309-I460 PolarHBondContact NH2-O 3.49Å; R309-S461 VanDerWaalsContact NH2-C 3.3Å; R309-S461 PolarHBondContact NH2-O 3.38Å; R309-N463 PolarHBondContact NH2-OD1 3.2Å; R309-N463 VanDerWaalsContact NH2-OD1 3.13Å; R309-E496 WeakPolarHBondContact CD-OE1 3.46Å; R309-E496 IonicContact CZ-OE1 3.74Å; R309-E496 IonicContact NE-OE1 3.96Å; R309-E496 IonicContact NH1-OE1 2.75Å; R309-E496 PolarHBondContact NH1-OE1 2.81Å
310G90.1Very high88Confident24 Ų2442.5 Ų42.525%0.24723%0.23CC..EExtended strand (participates in β ladder)trans132.9-172.9177.300000113.8T307T307-G310 PolarHBondContact N-O 3.01Å; T307-G310 PolarHBondContact O-N 2.79Å; T307-G310 PolarHBondContact OG1-N 3.14Å; T307-G310 PolarHBondContact OG1-O 3.46Å
311Y93.1Very high88.2Confident44 Ų4441.2 Ų41.217%0.17322%0.222CC..EExtended strand (participates in β ladder)trans-70.1128.5-179.6177.9-99.7000111.3V304 G313 R314 E336 V338 V339V304-Y311 HydrophobicContact CG1-CD2 3.92Å; V304-Y311 HydrophobicContact CG1-CE2 3.81Å; Y311-G313 VanDerWaalsContact CE1-CA 3.5Å; Y311-G313 WeakPolarHBondContact CE2-O 3.34Å; Y311-G313 VanDerWaalsContact CZ-CA 3.46Å; Y311-R314 WeakPolarHBondContact OH-CB 3.33Å; Y311-R314 PolarHBondContact OH-N 2.88Å; Y311-R314 VanDerWaalsContact OH-N 3.11Å; Y311-E336 VanDerWaalsContact CD1-C 3.48Å; Y311-E336 HydrophobicContact CD1-CB 4Å; Y311-E336 VanDerWaalsContact CD1-O 3.24Å; Y311-E336 WeakPolarHBondContact CD1-O 3.34Å; Y311-E336 HydrophobicContact CE1-CB 3.63Å; Y311-V338 PolarHBondContact O-N 3.37Å; Y311-V339 PolarHBondContact O-N 3.01Å
312V92.2Very high88.4Confident0 Ų040.6 Ų40.60%022%0.216CC..EExtended strand (participates in β ladder)trans-94-42.4178.9178.60000110.5I305 T307 F334 A337 V339 C341 L457 L459I305-V312 HydrophobicContact CB-CB 4.23Å; I305-V312 HydrophobicContact CG2-CB 3.94Å; I305-V312 HydrophobicContact CG2-CG1 4.32Å; I305-V312 HydrophobicContact CG2-CG2 4.24Å; I305-V312 WeakPolarHBondContact O-CB 3.43Å; I305-V312 PolarHBondContact O-N 2.9Å; T307-V312 HydrophobicContact CG2-CG2 3.73Å; V312-F334 WeakPolarHBondContact O-CD1 3.2Å; V312-A337 WeakPolarHBondContact O-CB 3.42Å; V312-V339 HydrophobicContact CG2-CB 3.96Å; V312-V339 HydrophobicContact CG2-CG1 4.17Å; V312-C341 HydrophobicContact CG1-CB 4.42Å; V312-L457 HydrophobicContact CG1-CD2 4.16Å; V312-L459 HydrophobicContact CG1-CD2 3.65Å; V312-L459 HydrophobicContact CG2-CD1 3.89Å; V312-L459 HydrophobicContact CG2-CD2 4.28Å
313G92.2Very high88.3Confident1 Ų137.3 Ų37.31%0.0120%0.199CC..EExtended strand (participates in β ladder)trans161.9179.8-175.700000112.1I305 Y311 D333I305-G313 WeakPolarHBondContact CA-O 3.21Å; I305-G313 WeakPolarHBondContact CB-O 3.38Å; I305-G313 PolarHBondContact N-O 3.25Å; I305-G313 PolarHBondContact O-N 3.47Å; Y311-G313 VanDerWaalsContact CE1-CA 3.5Å; Y311-G313 WeakPolarHBondContact CE2-O 3.34Å; Y311-G313 VanDerWaalsContact CZ-CA 3.46Å; G313-D333 CarbonylContact C-O 3.49Å; G313-D333 WeakPolarHBondContact CA-O 3.39Å
314R93.7Very high88.2Confident86 Ų8635.5 Ų35.533%0.32519%0.192SC..EExtended strand (participates in β ladder)trans-113.6135.1173.4175.2177.162.6167.3-0.5109.5F303 Y311 F332 D333F303-R314 CarbonylContact O-C 3.46Å; F303-R314 VanDerWaalsContact O-CA 3.27Å; F303-R314 WeakPolarHBondContact O-CA 3.3Å; F303-R314 WeakPolarHBondContact O-CG 3.22Å; Y311-R314 WeakPolarHBondContact OH-CB 3.33Å; Y311-R314 PolarHBondContact OH-N 2.88Å; Y311-R314 VanDerWaalsContact OH-N 3.11Å; R314-F332 CarbonylContact O-C 3.45Å; R314-F332 WeakPolarHBondContact O-CA 3.49Å; R314-D333 HydrophobicContact CB-CB 4.28Å; R314-D333 IonicContact CZ-OD2 3.59Å; R314-D333 PolarHBondContact N-O 2.83Å; R314-D333 IonicContact NE-OD2 2.58Å; R314-D333 IonicContact NH2-OD2 2.79Å; R314-D333 PolarHBondContact NH2-OD2 3.21Å; R314-D333 PolarHBondContact O-N 2.65Å
315L93Very high88.1Confident0 Ų032.4 Ų32.40%018%0.18CC..EExtended strand (participates in β ladder)trans-106.1124.6171.217658.8000108.9F303 I305 F317 F332 F423 L455 W500 I502F303-L315 PolarHBondContact N-O 2.86Å; F303-L315 PolarHBondContact O-N 2.83Å; I305-L315 HydrophobicContact CD1-CB 4.04Å; L315-F317 HydrophobicContact CD1-CE1 4.4Å; L315-F317 HydrophobicContact CD1-CE2 4.44Å; L315-F317 HydrophobicContact CD1-CZ 4.14Å; L315-F317 HydrophobicContact CD2-CE1 4.41Å; L315-F317 HydrophobicContact CD2-CE2 3.63Å; L315-F317 HydrophobicContact CD2-CZ 3.45Å; L315-F317 VanDerWaalsContact CD2-CZ 3.45Å; L315-F317 HydrophobicContact CG-CD2 4.38Å; L315-F317 HydrophobicContact CG-CE1 4.47Å; L315-F317 HydrophobicContact CG-CE2 3.69Å; L315-F317 HydrophobicContact CG-CZ 3.76Å; L315-F332 HydrophobicContact CB-CD1 4.3Å; L315-F332 HydrophobicContact CB-CE1 4.11Å; L315-F332 HydrophobicContact CD1-CD1 4.1Å; L315-F332 HydrophobicContact CD1-CD2 4.19Å; L315-F332 HydrophobicContact CD1-CE1 3.8Å; L315-F332 HydrophobicContact CD1-CE2 3.88Å; L315-F332 HydrophobicContact CD1-CG 4.29Å; L315-F332 HydrophobicContact CD1-CZ 3.68Å; L315-F332 HydrophobicContact CD2-CE1 4.21Å; L315-F332 HydrophobicContact CD2-CZ 4.21Å; L315-F332 HydrophobicContact CG-CE1 4.27Å; L315-F332 HydrophobicContact CG-CZ 4.43Å; L315-F423 HydrophobicContact CD1-CE1 3.44Å; L315-F423 VanDerWaalsContact CD1-CE1 3.44Å; L315-F423 HydrophobicContact CD1-CZ 3.67Å; L315-L455 HydrophobicContact CD2-CD2 3.51Å; L315-W500 HydrophobicContact CB-CZ3 4.3Å; L315-W500 HydrophobicContact CD2-CZ3 3.76Å; L315-I502 HydrophobicContact CD2-CD1 3.47Å; L315-I502 VanDerWaalsContact CD2-CD1 3.47Å
316S90.8Very high88Confident1 Ų134 Ų341%0.00719%0.189CC..EExtended strand (participates in β ladder)trans-121.5127.3-178.9-65.30000110.2A301 N302 G330 Y331A301-S316 CarbonylContact O-C 3.54Å; A301-S316 WeakPolarHBondContact O-CA 3.48Å; N302-S316 VanDerWaalsContact OD1-CB 3.3Å; N302-S316 WeakPolarHBondContact OD1-CB 3.29Å; N302-S316 PolarHBondContact OD1-OG 3.38Å; S316-G330 CarbonylContact O-C 3.55Å; S316-G330 WeakPolarHBondContact O-CA 3.44Å; S316-Y331 VanDerWaalsContact CB-CZ 3.5Å; S316-Y331 PolarHBondContact N-O 2.83Å; S316-Y331 PolarHBondContact O-N 2.97Å
317F85.9Confident88Confident2 Ų234.7 Ų34.71%0.00919%0.185CC..EExtended strand (participates in β ladder)trans-109.1150.2171.4-56.9-82.3000110.5P300 A301 F303 L315 R319 V328 F423 L453 I502P300-F317 CarbonylContact C-O 3.5Å; P300-F317 VanDerWaalsContact CA-O 3.22Å; P300-F317 WeakPolarHBondContact CA-O 3.04Å; P300-F317 WeakPolarHBondContact CB-O 3.33Å; A301-F317 HydrophobicContact CB-CB 4.37Å; A301-F317 HydrophobicContact CB-CD2 4.3Å; A301-F317 PolarHBondContact N-O 3.47Å; A301-F317 PolarHBondContact O-N 3.18Å; F303-F317 AromaticContact CD2-CD2 3.88Å; F303-F317 HydrophobicContact CD2-CD2 3.88Å; F303-F317 AromaticContact CD2-CE2 3.74Å; F303-F317 HydrophobicContact CD2-CE2 3.74Å; F303-F317 AromaticContact CE2-CD2 3.61Å; F303-F317 HydrophobicContact CE2-CD2 3.61Å; F303-F317 AromaticContact CE2-CE2 3.6Å; F303-F317 HydrophobicContact CE2-CE2 3.6Å; L315-F317 HydrophobicContact CD1-CE1 4.4Å; L315-F317 HydrophobicContact CD1-CE2 4.44Å; L315-F317 HydrophobicContact CD1-CZ 4.14Å; L315-F317 HydrophobicContact CD2-CE1 4.41Å; L315-F317 HydrophobicContact CD2-CE2 3.63Å; L315-F317 HydrophobicContact CD2-CZ 3.45Å; L315-F317 VanDerWaalsContact CD2-CZ 3.45Å; L315-F317 HydrophobicContact CG-CD2 4.38Å; L315-F317 HydrophobicContact CG-CE1 4.47Å; L315-F317 HydrophobicContact CG-CE2 3.69Å; L315-F317 HydrophobicContact CG-CZ 3.76Å; F317-R319 WeakPolarHBondContact CB-O 3.41Å; F317-R319 PolarHBondContact O-N 3.33Å; F317-V328 HydrophobicContact CD1-CG1 3.89Å; F317-V328 HydrophobicContact CE1-CG1 4.05Å; F317-F423 HydrophobicContact CD1-CE2 4.33Å; F317-F423 AromaticContact CD1-CZ 3.99Å; F317-F423 HydrophobicContact CD1-CZ 3.99Å; F317-F423 HydrophobicContact CE1-CE2 4.07Å; F317-F423 AromaticContact CE1-CZ 3.7Å; F317-F423 HydrophobicContact CE1-CZ 3.7Å; F317-L453 HydrophobicContact CD1-CD1 4.23Å; F317-L453 HydrophobicContact CE1-CD1 3.33Å; F317-L453 HydrophobicContact CZ-CD1 3.54Å; F317-I502 HydrophobicContact CE2-CD1 3.71Å; F317-I502 HydrophobicContact CE2-CG2 4.25Å; F317-I502 HydrophobicContact CZ-CD1 3.79Å
318Q81.7Confident88.1Confident61 Ų6133.9 Ų33.929%0.28518%0.18SC..SBendtrans-64.7-30.8172.2-71.3-177.4-17.800113F208 P300 R329F208-Q318 HydrophobicContact CD2-CG 3.58Å; F208-Q318 HydrophobicContact CE2-CG 3.43Å; F208-Q318 VanDerWaalsContact CE2-CG 3.43Å; F208-Q318 HydrophobicContact CG-CG 4.18Å; F208-Q318 HydrophobicContact CZ-CG 3.92Å; P300-Q318 WeakPolarHBondContact CA-O 3.05Å; Q318-R329 HydrophobicContact CG-CB 4.26Å; Q318-R329 PolarHBondContact N-O 2.68Å; Q318-R329 VanDerWaalsContact N-O 3.13Å
319R81.4Confident88.2Confident62 Ų6232.8 Ų32.823%0.23416%0.157CC..  trans-165.7177.3-178.654.4-171.5-179.5-172.20.9110.9L295 S298 F317 L321 Y322 D326L295-R319 PolarHBondContact O-NH1 2.99Å; S298-R319 WeakPolarHBondContact OG-CB 3.28Å; S298-R319 WeakPolarHBondContact OG-CD 3.48Å; F317-R319 WeakPolarHBondContact CB-O 3.41Å; F317-R319 PolarHBondContact O-N 3.33Å; R319-L321 VanDerWaalsContact CD-O 3.25Å; R319-L321 WeakPolarHBondContact CD-O 3.47Å; R319-L321 PolarHBondContact NE-O 3.17Å; R319-Y322 HydrophobicContact CG-CD1 4.15Å; R319-Y322 HydrophobicContact CG-CE1 3.61Å; R319-Y322 HydrophobicContact CG-CE2 4.42Å; R319-Y322 PolarHBondContact O-OH 2.87Å; R319-D326 IonicContact CZ-OD2 2.82Å; R319-D326 IonicContact NH2-OD1 3.44Å; R319-D326 IonicContact NH2-OD2 3.88Å; R319-D326 PolarHBondContact NH2-OD2 3.07Å
320T78.4Confident88.5Confident20 Ų2029.2 Ų29.212%0.12315%0.145CC..SBendtrans-122.3-7.3173.550.20000113.8A301 Q505A301-T320 HydrophobicContact CB-CG2 3.49Å; A301-T320 VanDerWaalsContact CB-CG2 3.49Å; T320-Q505 PolarHBondContact O-N 3.35Å
321L80.3Confident88.8Confident0 Ų029.2 Ų29.20%014%0.137CC..EExtended strand (participates in β ladder)trans-108.2127.3175177.466.1000109.5L294 L295 R319 Q505 V507L294-L321 HydrophobicContact CD2-CD2 3.76Å; L294-L321 HydrophobicContact CG-CD2 3.85Å; L295-L321 HydrophobicContact CD2-CD2 3.9Å; L295-L321 HydrophobicContact CD2-CG 3.7Å; L295-L321 HydrophobicContact CG-CD2 4.26Å; R319-L321 VanDerWaalsContact CD-O 3.25Å; R319-L321 WeakPolarHBondContact CD-O 3.47Å; R319-L321 PolarHBondContact NE-O 3.17Å; L321-Q505 HydrophobicContact CD1-CB 3.65Å; L321-V507 HydrophobicContact CD1-CG1 3.7Å; L321-V507 HydrophobicContact CD1-CG2 4.08Å
322Y84.6Confident88.9Confident2 Ų227.1 Ų27.11%0.00813%0.129CC..EExtended strand (participates in β ladder)trans-136.3152.2-174.2-62.6-86.6000111.7R319 D326 V328 I427 I504 Q505 L506 V507R319-Y322 HydrophobicContact CG-CD1 4.15Å; R319-Y322 HydrophobicContact CG-CE1 3.61Å; R319-Y322 HydrophobicContact CG-CE2 4.42Å; R319-Y322 PolarHBondContact O-OH 2.87Å; Y322-D326 HydrophobicContact CD1-CB 4.09Å; Y322-V328 HydrophobicContact CD1-CG2 4.38Å; Y322-V328 HydrophobicContact CD2-CG2 4.34Å; Y322-V328 HydrophobicContact CE1-CB 4.39Å; Y322-V328 HydrophobicContact CE1-CG2 4.07Å; Y322-V328 HydrophobicContact CE2-CG2 4.02Å; Y322-I427 VanDerWaalsContact CB-CD1 3.43Å; Y322-I427 HydrophobicContact CD1-CD1 4.01Å; Y322-I427 HydrophobicContact CD2-CD1 4.33Å; Y322-I427 HydrophobicContact CG-CD1 3.69Å; Y322-I504 HydrophobicContact CD2-CD1 4.47Å; Y322-Q505 PolarHBondContact N-O 3.16Å; Y322-L506 CarbonylContact O-C 3.55Å; Y322-L506 WeakPolarHBondContact O-CA 3.49Å; Y322-V507 WeakPolarHBondContact O-CG2 3.42Å; Y322-V507 PolarHBondContact O-N 3.32Å
323C85.7Confident89Confident8 Ų828.3 Ų28.35%0.05414%0.135CC..EExtended strand (participates in β ladder)trans-87.3158.3166.7-68.60000111.6L295 G325 D326 V507 S509L295-C323 WeakPolarHBondContact CD1-SG 3.21Å; C323-G325 PolarHBondContact O-N 3.42Å; C323-D326 PolarHBondContact N-OD2 2.89Å; C323-D326 VanDerWaalsContact O-CB 3.22Å; C323-D326 WeakPolarHBondContact O-CB 3.42Å; C323-D326 PolarHBondContact O-N 3.37Å; C323-D326 VanDerWaalsContact O-N 3.11Å; C323-V507 WeakPolarHBondContact CA-O 3.1Å; C323-S509 WeakPolarHBondContact CB-OG 3.05Å; C323-S509 PolarHBondContact SG-OG 3.48Å
324L87.9Confident89.1Confident23 Ų2328.8 Ų28.812%0.1214%0.137CC..THydrogen-bonded Turntrans-59.8132.3166.8-55.8-171.9000110D326 I431 P433 L506 V507 Y508L324-D326 VanDerWaalsContact C-N 3.34Å; L324-I431 WeakPolarHBondContact CD1-O 3.34Å; L324-I431 HydrophobicContact CD2-CD1 3.93Å; L324-I431 HydrophobicContact CD2-CG1 3.58Å; L324-P433 HydrophobicContact CD2-CB 4.23Å; L324-L506 HydrophobicContact CD2-CB 4.17Å; L324-L506 HydrophobicContact CD2-CD1 4.27Å; L324-V507 PolarHBondContact N-O 3.29Å; L324-Y508 HydrophobicContact CD1-CD2 4.04Å
325G89.4Confident88.9Confident32 Ų3229.8 Ų29.833%0.3315%0.149SC..THydrogen-bonded Turntrans89.7-9.3-174.600000115C323 I427C323-G325 PolarHBondContact O-N 3.42Å; G325-I427 WeakPolarHBondContact CA-O 3.38Å; G325-I427 PolarHBondContact N-O 3.22Å; G325-I427 VanDerWaalsContact N-O 3.14Å
326D90Very high88.6Confident38 Ų3836.7 Ų36.720%0.20318%0.181CC..  trans-66.1170.8173.6-81.4-2.6000112.3R319 Y322 C323 L324 I427R319-D326 IonicContact CZ-OD2 2.82Å; R319-D326 IonicContact NH2-OD1 3.44Å; R319-D326 IonicContact NH2-OD2 3.88Å; R319-D326 PolarHBondContact NH2-OD2 3.07Å; Y322-D326 HydrophobicContact CD1-CB 4.09Å; C323-D326 PolarHBondContact N-OD2 2.89Å; C323-D326 VanDerWaalsContact O-CB 3.22Å; C323-D326 WeakPolarHBondContact O-CB 3.42Å; C323-D326 PolarHBondContact O-N 3.37Å; C323-D326 VanDerWaalsContact O-N 3.11Å; L324-D326 VanDerWaalsContact C-N 3.34Å; D326-I427 HydrophobicContact CB-CD1 4.03Å; D326-I427 VanDerWaalsContact O-CB 3.3Å; D326-I427 WeakPolarHBondContact O-CB 3.38Å; D326-I427 PolarHBondContact O-N 2.72Å
327M91.7Very high88.6Confident83 Ų8337 Ų3741%0.40918%0.184SC..EExtended strand (participates in β ladder)trans-115.9122.4173.1-61.9-73.2166.900109.3R329 T424 P426M327-R329 HydrophobicContact CB-CG 4.31Å; M327-R329 PolarHBondContact O-N 3.28Å; M327-T424 HydrophobicContact CB-CG2 3.84Å; M327-T424 HydrophobicContact CG-CG2 4.24Å; M327-T424 HydrophobicContact SD-CG2 4.09Å; M327-P426 HydrophobicContact CE-CB 3.9Å; M327-P426 WeakPolarHBondContact SD-CA 2.93Å; M327-P426 HydrophobicContact SD-CB 3.57Å; M327-P426 VanDerWaalsContact SD-CB 3.57Å
328V91.9Very high88.7Confident0 Ų042 Ų420%021%0.214CC..EExtended strand (participates in β ladder)trans-71.6110.2168.5178.10000107.7F317 Y322 F423 T424 L425 I427 L453 I504F317-V328 HydrophobicContact CD1-CG1 3.89Å; F317-V328 HydrophobicContact CE1-CG1 4.05Å; Y322-V328 HydrophobicContact CD1-CG2 4.38Å; Y322-V328 HydrophobicContact CD2-CG2 4.34Å; Y322-V328 HydrophobicContact CE1-CB 4.39Å; Y322-V328 HydrophobicContact CE1-CG2 4.07Å; Y322-V328 HydrophobicContact CE2-CG2 4.02Å; V328-F423 HydrophobicContact CG1-CE2 4.28Å; V328-T424 CarbonylContact O-C 3.55Å; V328-T424 WeakPolarHBondContact O-CA 3.41Å; V328-L425 HydrophobicContact CB-CB 4.24Å; V328-L425 PolarHBondContact N-O 2.9Å; V328-L425 PolarHBondContact O-N 2.99Å; V328-I427 HydrophobicContact CG2-CD1 3.72Å; V328-I427 HydrophobicContact CG2-CG1 3.97Å; V328-L453 HydrophobicContact CG1-CD1 3.96Å; V328-I504 HydrophobicContact CG2-CD1 4.44Å
329R92.1Very high89.2Confident124 Ų12439.3 Ų39.347%0.46820%0.202SC..EExtended strand (participates in β ladder)trans-112138.5178.4-67176.6-178.91651.2110.4Q318 M327 T424Q318-R329 HydrophobicContact CG-CB 4.26Å; Q318-R329 PolarHBondContact N-O 2.68Å; Q318-R329 VanDerWaalsContact N-O 3.13Å; M327-R329 HydrophobicContact CB-CG 4.31Å; M327-R329 PolarHBondContact O-N 3.28Å; R329-T424 HydrophobicContact CG-CG2 4.15Å
330G93.1Very high89.6Confident3 Ų340.1 Ų40.13%0.03121%0.207CC..EExtended strand (participates in β ladder)trans-171.8-17518000000111.7S316 P422 F423S316-G330 CarbonylContact O-C 3.55Å; S316-G330 WeakPolarHBondContact O-CA 3.44Å; G330-P422 WeakPolarHBondContact O-CA 3.18Å; G330-F423 PolarHBondContact N-O 3.43Å; G330-F423 PolarHBondContact O-N 3.34Å
331Y94.8Very high90.2Very high23 Ų2339.4 Ų39.49%0.0920%0.203CC..EExtended strand (participates in β ladder)trans-146.2155.417361.3-96.3000111.2P207 F208 S316 D333 L420 L421P207-Y331 HydrophobicContact CB-CE1 4.28Å; P207-Y331 HydrophobicContact CG-CE1 3.92Å; P207-Y331 WeakPolarHBondContact CG-OH 3.16Å; F208-Y331 HydrophobicContact CE1-CD1 4.12Å; F208-Y331 HydrophobicContact CE1-CE1 4.38Å; F208-Y331 HydrophobicContact CE2-CD1 4.24Å; F208-Y331 AromaticContact CE2-CE1 3.97Å; F208-Y331 HydrophobicContact CE2-CE1 3.97Å; F208-Y331 AromaticContact CZ-CD1 3.51Å; F208-Y331 HydrophobicContact CZ-CD1 3.51Å; F208-Y331 AromaticContact CZ-CE1 3.68Å; F208-Y331 HydrophobicContact CZ-CE1 3.68Å; S316-Y331 VanDerWaalsContact CB-CZ 3.5Å; S316-Y331 PolarHBondContact N-O 2.83Å; S316-Y331 PolarHBondContact O-N 2.97Å; Y331-D333 HydrophobicContact CD2-CB 4.12Å; Y331-D333 HydrophobicContact CE2-CB 3.95Å; Y331-L420 HydrophobicContact CD2-CD1 3.36Å; Y331-L420 HydrophobicContact CD2-CG 4.36Å; Y331-L420 HydrophobicContact CE2-CD1 3.77Å; Y331-L420 HydrophobicContact CG-CD1 4.01Å; Y331-L421 CarbonylContact C-O 3.47Å; Y331-L421 VanDerWaalsContact CA-O 3.27Å; Y331-L421 WeakPolarHBondContact CA-O 2.88Å
332F95.4Very high90.8Very high0 Ų041.4 Ų41.40%021%0.214CC..EExtended strand (participates in β ladder)trans-93.7134.8160.7-70.7-89.9000109.8I305 R314 L315 F334 L413 L420 L421 F423 L455I305-F332 HydrophobicContact CD1-CD1 4.44Å; I305-F332 HydrophobicContact CD1-CE1 3.95Å; R314-F332 CarbonylContact O-C 3.45Å; R314-F332 WeakPolarHBondContact O-CA 3.49Å; L315-F332 HydrophobicContact CB-CD1 4.3Å; L315-F332 HydrophobicContact CB-CE1 4.11Å; L315-F332 HydrophobicContact CD1-CD1 4.1Å; L315-F332 HydrophobicContact CD1-CD2 4.19Å; L315-F332 HydrophobicContact CD1-CE1 3.8Å; L315-F332 HydrophobicContact CD1-CE2 3.88Å; L315-F332 HydrophobicContact CD1-CG 4.29Å; L315-F332 HydrophobicContact CD1-CZ 3.68Å; L315-F332 HydrophobicContact CD2-CE1 4.21Å; L315-F332 HydrophobicContact CD2-CZ 4.21Å; L315-F332 HydrophobicContact CG-CE1 4.27Å; L315-F332 HydrophobicContact CG-CZ 4.43Å; F332-F334 HydrophobicContact CB-CD2 4.12Å; F332-F334 HydrophobicContact CB-CE1 4.16Å; F332-F334 HydrophobicContact CB-CE2 3.4Å; F332-F334 VanDerWaalsContact CB-CE2 3.4Å; F332-F334 HydrophobicContact CB-CZ 3.43Å; F332-F334 VanDerWaalsContact CB-CZ 3.43Å; F332-F334 HydrophobicContact CD1-CE1 4.25Å; F332-F334 AromaticContact CD1-CZ 3.91Å; F332-F334 HydrophobicContact CD1-CZ 3.91Å; F332-F334 HydrophobicContact CG-CE2 4.18Å; F332-F334 AromaticContact CG-CZ 3.78Å; F332-F334 HydrophobicContact CG-CZ 3.78Å; F332-L413 HydrophobicContact CD2-CD1 4Å; F332-L413 HydrophobicContact CE2-CD1 3.6Å; F332-L420 CarbonylContact O-C 3.55Å; F332-L420 WeakPolarHBondContact O-CA 3.26Å; F332-L421 HydrophobicContact CB-CB 4.38Å; F332-L421 PolarHBondContact N-O 2.95Å; F332-L421 PolarHBondContact O-N 2.77Å; F332-F423 AromaticContact CD2-CD1 3.92Å; F332-F423 HydrophobicContact CD2-CD1 3.92Å; F332-F423 AromaticContact CD2-CE1 3.98Å; F332-F423 HydrophobicContact CD2-CE1 3.98Å; F332-F423 AromaticContact CE2-CD1 3.92Å; F332-F423 HydrophobicContact CE2-CD1 3.92Å; F332-F423 AromaticContact CE2-CE1 3.84Å; F332-F423 HydrophobicContact CE2-CE1 3.84Å; F332-L455 HydrophobicContact CE1-CD2 4.24Å; F332-L455 HydrophobicContact CZ-CD2 3.74Å
333D94.1Very high91.3Very high26 Ų2641.6 Ų41.614%0.13922%0.215CC..EExtended strand (participates in β ladder)trans-113.3114.1171.8178.1-1.1000108.5G313 R314 Y331 N335 L420G313-D333 CarbonylContact C-O 3.49Å; G313-D333 WeakPolarHBondContact CA-O 3.39Å; R314-D333 HydrophobicContact CB-CB 4.28Å; R314-D333 IonicContact CZ-OD2 3.59Å; R314-D333 PolarHBondContact N-O 2.83Å; R314-D333 IonicContact NE-OD2 2.58Å; R314-D333 IonicContact NH2-OD2 2.79Å; R314-D333 PolarHBondContact NH2-OD2 3.21Å; R314-D333 PolarHBondContact O-N 2.65Å; Y331-D333 HydrophobicContact CD2-CB 4.12Å; Y331-D333 HydrophobicContact CE2-CB 3.95Å; D333-N335 VanDerWaalsContact OD1-CB 3.24Å; D333-N335 WeakPolarHBondContact OD1-CB 3.18Å; D333-N335 PolarHBondContact OD1-N 3.09Å; D333-L420 HydrophobicContact CB-CD1 4.04Å
334F94.3Very high91.8Very high10 Ų1041.2 Ų41.24%0.04421%0.213CC..  trans-109.812.6-178.3-59.2-67000111.8V312 F332 E336 A337 C341 C415 K418 L419 L421V312-F334 WeakPolarHBondContact O-CD1 3.2Å; F332-F334 HydrophobicContact CB-CD2 4.12Å; F332-F334 HydrophobicContact CB-CE1 4.16Å; F332-F334 HydrophobicContact CB-CE2 3.4Å; F332-F334 VanDerWaalsContact CB-CE2 3.4Å; F332-F334 HydrophobicContact CB-CZ 3.43Å; F332-F334 VanDerWaalsContact CB-CZ 3.43Å; F332-F334 HydrophobicContact CD1-CE1 4.25Å; F332-F334 AromaticContact CD1-CZ 3.91Å; F332-F334 HydrophobicContact CD1-CZ 3.91Å; F332-F334 HydrophobicContact CG-CE2 4.18Å; F332-F334 AromaticContact CG-CZ 3.78Å; F332-F334 HydrophobicContact CG-CZ 3.78Å; F334-E336 VanDerWaalsContact C-N 3.28Å; F334-E336 PolarHBondContact O-N 3.43Å; F334-A337 HydrophobicContact CB-CB 3.98Å; F334-A337 HydrophobicContact CD1-CB 4.46Å; F334-A337 WeakPolarHBondContact O-CB 3.27Å; F334-A337 PolarHBondContact O-N 2.88Å; F334-C341 HydrophobicContact CE1-CB 3.98Å; F334-C341 HydrophobicContact CZ-CB 4.31Å; F334-C415 HydrophobicContact CE2-CB 3.84Å; F334-C415 HydrophobicContact CZ-CB 3.74Å; F334-K418 WeakPolarHBondContact CB-O 3.43Å; F334-K418 WeakPolarHBondContact CD2-O 3.3Å; F334-L419 PolarHBondContact N-O 2.69Å; F334-L421 HydrophobicContact CE2-CB 4.25Å
335N89.6Confident92.3Very high108 Ų10841 Ų4158%0.57821%0.213SC*.THydrogen-bonded Turntrans-58.9-39.8-173.2-16646.3000112.3D333D333-N335 VanDerWaalsContact OD1-CB 3.24Å; D333-N335 WeakPolarHBondContact OD1-CB 3.18Å; D333-N335 PolarHBondContact OD1-N 3.09Å
336E88.2Confident92.7Very high144 Ų14439.5 Ų39.567%0.67320%0.197SC*.THydrogen-bonded Turntrans-956.3178.3-62.2179.2-177.900113.2Y311 F334 V338Y311-E336 VanDerWaalsContact CD1-C 3.48Å; Y311-E336 HydrophobicContact CD1-CB 4Å; Y311-E336 VanDerWaalsContact CD1-O 3.24Å; Y311-E336 WeakPolarHBondContact CD1-O 3.34Å; Y311-E336 HydrophobicContact CE1-CB 3.63Å; F334-E336 VanDerWaalsContact C-N 3.28Å; F334-E336 PolarHBondContact O-N 3.43Å; E336-V338 PolarHBondContact O-N 2.9Å
337A89.8Confident93Very high8 Ų840.3 Ų40.37%0.06620%0.197CC..  trans-63115.3-172.200000113.3V312 F334 K340V312-A337 WeakPolarHBondContact O-CB 3.42Å; F334-A337 HydrophobicContact CB-CB 3.98Å; F334-A337 HydrophobicContact CD1-CB 4.46Å; F334-A337 WeakPolarHBondContact O-CB 3.27Å; F334-A337 PolarHBondContact O-N 2.88Å; A337-K340 PolarHBondContact O-NZ 3.15Å
338V89Confident93.3Very high106 Ų10636.3 Ų36.364%0.64218%0.178SC*.SBendtrans-83-41170.9-178.70000110.2Y311 E336Y311-V338 PolarHBondContact O-N 3.37Å; E336-V338 PolarHBondContact O-N 2.9Å
339V90.6Very high93.5Very high5 Ų537 Ų373%0.0318%0.18CC..SBendtrans-95119.7176.4-179.10000108.8R309 Y311 V312 L459R309-V339 HydrophobicContact CB-CG2 3.86Å; Y311-V339 PolarHBondContact O-N 3.01Å; V312-V339 HydrophobicContact CG2-CB 3.96Å; V312-V339 HydrophobicContact CG2-CG1 4.17Å; V339-L459 HydrophobicContact CG1-CB 4.08Å; V339-L459 HydrophobicContact CG1-CD1 4.17Å; V339-L459 HydrophobicContact CG1-CG 4.5Å
340K90.1Very high93.6Very high79 Ų7931.1 Ų31.134%0.34316%0.158SC..PPolyproline II helixtrans-82131.9-177.4-60.2-52.3-175.6-1660111.4A337 I460A337-K340 PolarHBondContact O-NZ 3.15Å; K340-I460 HydrophobicContact CB-CD1 4Å; K340-I460 HydrophobicContact CB-CG1 4.46Å; K340-I460 PolarHBondContact O-N 3.47Å
341C92.4Very high93.5Very high6 Ų631.8 Ų31.84%0.04116%0.161CC..EExtended strand (participates in β ladder)trans-95.4125.8174.3-1750000109.8V312 F334 S343 C415 I416 L459V312-C341 HydrophobicContact CG1-CB 4.42Å; F334-C341 HydrophobicContact CE1-CB 3.98Å; F334-C341 HydrophobicContact CZ-CB 4.31Å; C341-S343 PolarHBondContact SG-O 2.71Å; C341-C415 HydrophobicContact CB-CB 3.84Å; C341-C415 CarbonylContact O-C 3.48Å; C341-C415 WeakPolarHBondContact O-CB 3.26Å; C341-C415 VanDerWaalsContact SG-SG 3.69Å; C341-I416 PolarHBondContact O-N 3.31Å; C341-L459 HydrophobicContact CB-CD2 3.96Å
342L92.2Very high93.3Very high41 Ų4130.8 Ų30.822%0.21516%0.157CC..EExtended strand (participates in β ladder)trans-78.6-52.9175.7176.965000110.4C415 I416 D458 T495L342-C415 PolarHBondContact O-N 2.84Å; L342-I416 HydrophobicContact CD1-CB 4.38Å; L342-I416 HydrophobicContact CD1-CD1 3.44Å; L342-I416 VanDerWaalsContact CD1-CD1 3.44Å; L342-I416 PolarHBondContact O-N 2.8Å; L342-D458 HydrophobicContact CB-CB 4.31Å; L342-D458 WeakPolarHBondContact CB-O 3.31Å; L342-D458 PolarHBondContact N-O 3.19Å; L342-T495 HydrophobicContact CD2-CG2 3.97Å
343S94.7Very high92.8Very high7 Ų733.1 Ų33.15%0.04917%0.166CC..EExtended strand (participates in β ladder)trans-149.8158.1179.438.70000111.8C341 L413 L457 D458C341-S343 PolarHBondContact SG-O 2.71Å; S343-L413 CarbonylContact C-O 3.55Å; S343-L413 WeakPolarHBondContact CA-O 3.28Å; S343-L413 VanDerWaalsContact CB-O 3.31Å; S343-L413 WeakPolarHBondContact CB-O 3.43Å; S343-L457 WeakPolarHBondContact O-CA 3.33Å; S343-D458 PolarHBondContact O-N 3.23Å; S343-D458 PolarHBondContact OG-OD2 2.66Å
344C96.4Very high92.3Very high0 Ų032.1 Ų32.10%016%0.16CC..EExtended strand (participates in β ladder)trans-130.7128.9171.41780000108.7L413 E456 L457C344-L413 HydrophobicContact CB-CB 4.38Å; C344-L413 PolarHBondContact N-O 2.77Å; C344-L413 PolarHBondContact O-N 3.39Å; C344-E456 CarbonylContact C-O 3.58Å; C344-E456 VanDerWaalsContact CA-O 3.31Å; C344-E456 WeakPolarHBondContact CA-O 3.4Å; C344-L457 HydrophobicContact CB-CG 4.24Å
345V98Very high91.3Very high19 Ų1931.8 Ų31.812%0.11516%0.159CC..EExtended strand (participates in β ladder)trans-101.4120165.9-1770000107.7R347 I411 K412 L455 E456V345-R347 HydrophobicContact CG1-CG 4.08Å; V345-I411 WeakPolarHBondContact CA-O 3.35Å; V345-K412 HydrophobicContact CG2-CB 4.44Å; V345-K412 HydrophobicContact CG2-CD 4.44Å; V345-K412 HydrophobicContact CG2-CG 4.15Å; V345-L455 WeakPolarHBondContact O-CA 3.4Å; V345-E456 PolarHBondContact N-O 2.83Å; V345-E456 PolarHBondContact O-N 3.15Å
346M97.2Very high90.2Very high0 Ų029.5 Ų29.50%015%0.146CC..EExtended strand (participates in β ladder)trans-110.4126.5177.3-178.817961.300109.2D410 I411 F423 L425 L453 H454 L455M346-D410 CarbonylContact O-C 3.52Å; M346-D410 VanDerWaalsContact O-CA 3.27Å; M346-D410 WeakPolarHBondContact O-CA 3.3Å; M346-I411 HydrophobicContact CB-CG2 3.99Å; M346-I411 HydrophobicContact CE-CG2 3.58Å; M346-I411 PolarHBondContact N-O 3.36Å; M346-I411 PolarHBondContact O-N 2.76Å; M346-F423 HydrophobicContact CE-CD2 3.22Å; M346-F423 HydrophobicContact CE-CE2 3.4Å; M346-F423 VanDerWaalsContact CE-CE2 3.4Å; M346-F423 HydrophobicContact CE-CG 3.94Å; M346-F423 HydrophobicContact CE-CZ 4.24Å; M346-F423 HydrophobicContact SD-CD2 4.16Å; M346-F423 HydrophobicContact SD-CE2 3.76Å; M346-F423 HydrophobicContact SD-CZ 4.11Å; M346-L425 HydrophobicContact CE-CB 3.73Å; M346-L425 HydrophobicContact CE-CD2 3.96Å; M346-L425 HydrophobicContact CE-CG 4.33Å; M346-L425 HydrophobicContact CG-CD2 4.36Å; M346-L453 HydrophobicContact SD-CD1 4.38Å; M346-H454 CarbonylContact C-O 3.58Å; M346-H454 WeakPolarHBondContact CA-O 3.37Å; M346-L455 HydrophobicContact CG-CG 4.24Å
347R97.8Very high88.9Confident54 Ų5424.7 Ų24.720%0.20412%0.124CC..EExtended strand (participates in β ladder)trans-122131.6-176.2-57.8-168-177.589.13.6110.7V345 E349 T407 T409 D410 L453 H454 E456V345-R347 HydrophobicContact CG1-CG 4.08Å; R347-E349 HydrophobicContact CB-CG 3.96Å; R347-T407 HydrophobicContact CB-CG2 3.96Å; R347-T407 HydrophobicContact CG-CG2 4.17Å; R347-T409 CarbonylContact C-O 3.5Å; R347-T409 WeakPolarHBondContact CA-O 3.33Å; R347-D410 HydrophobicContact CB-CB 4.43Å; R347-D410 HydrophobicContact CG-CB 3.82Å; R347-L453 CarbonylContact O-C 3.41Å; R347-L453 VanDerWaalsContact O-CA 3.3Å; R347-L453 WeakPolarHBondContact O-CA 3.36Å; R347-H454 HydrophobicContact CB-CB 4.33Å; R347-H454 PolarHBondContact N-O 2.85Å; R347-H454 PolarHBondContact NH1-CD2 3.48Å; R347-H454 PolarHBondContact O-N 3.43Å; R347-E456 IonicContact CZ-OE2 3.22Å; R347-E456 IonicContact NH1-OE1 2.69Å; R347-E456 IonicContact NH1-OE2 3Å; R347-E456 PolarHBondContact NH1-OE2 3.29Å; R347-E456 IonicContact NH2-OE2 3.59Å; R347-E456 PolarHBondContact NH2-OE2 3.44Å
348L97.4Very high87.2Confident0 Ų033.3 Ų33.30%016%0.162CC..EExtended strand (participates in β ladder)trans-80.8116.4163.617863.5000108.2W408 T409 L425 I427 W451 L453 I504L348-W408 PolarHBondContact O-N 3.39Å; L348-T409 VanDerWaalsContact CB-OG1 3.28Å; L348-T409 WeakPolarHBondContact CB-OG1 3.39Å; L348-T409 PolarHBondContact N-O 3.5Å; L348-L425 HydrophobicContact CB-CD2 3.91Å; L348-I427 HydrophobicContact CD2-CB 4.4Å; L348-I427 HydrophobicContact CD2-CG1 4.04Å; L348-I427 HydrophobicContact CD2-CG2 4.37Å; L348-W451 HydrophobicContact CD1-CE3 3.69Å; L348-W451 HydrophobicContact CD1-CZ3 4.16Å; L348-W451 HydrophobicContact CD2-CE3 4.41Å; L348-W451 HydrophobicContact CD2-CZ3 4.12Å; L348-W451 HydrophobicContact CG-CE3 3.88Å; L348-W451 HydrophobicContact CG-CZ3 3.82Å; L348-L453 HydrophobicContact CB-CD2 4.46Å; L348-L453 HydrophobicContact CD1-CD2 4.2Å; L348-I504 HydrophobicContact CD1-CD1 3.49Å; L348-I504 VanDerWaalsContact CD1-CD1 3.49Å; L348-I504 HydrophobicContact CD1-CG1 4.39Å
349E95.8Very high85.4Confident13 Ų1335.3 Ų35.36%0.06117%0.165CC..EExtended strand (participates in β ladder)trans-122.3139.8-177.6-60.3-171.4161.600111.6R347 T406 T407 W451 R452 H454R347-E349 HydrophobicContact CB-CG 3.96Å; E349-T406 CarbonylContact C-O 3.53Å; E349-T406 VanDerWaalsContact CA-O 3.27Å; E349-T406 WeakPolarHBondContact CA-O 3.3Å; E349-T407 PolarHBondContact OE1-OG1 2.86Å; E349-W451 WeakPolarHBondContact O-CA 3.22Å; E349-R452 HydrophobicContact CB-CG 3.96Å; E349-R452 PolarHBondContact N-O 2.82Å; E349-R452 PolarHBondContact O-N 3.02Å; E349-R452 IonicContact OE2-CZ 3.24Å; E349-R452 VanDerWaalsContact OE2-CZ 3.29Å; E349-R452 IonicContact OE2-NE 2.76Å; E349-R452 PolarHBondContact OE2-NE 2.8Å; E349-R452 IonicContact OE2-NH2 2.65Å; E349-R452 PolarHBondContact OE2-NH2 3.13Å; E349-H454 VanDerWaalsContact CD-CB 3.48Å; E349-H454 HydrophobicContact CG-CB 4.05Å; E349-H454 IonicContact OE1-CD2 3.86Å; E349-H454 IonicContact OE1-CG 3.82Å; E349-H454 WeakPolarHBondContact OE2-CB 3.37Å; E349-H454 IonicContact OE2-CG 3.36Å
350S95Very high83.4Confident1 Ų137 Ų371%0.00717%0.173CC..EExtended strand (participates in β ladder)trans-90.7143.616363.20000110.5H405 T406 W408 Y449 R450S350-H405 VanDerWaalsContact O-CA 3.31Å; S350-H405 WeakPolarHBondContact O-CA 3.47Å; S350-T406 PolarHBondContact N-O 3.46Å; S350-T406 PolarHBondContact O-N 3.34Å; S350-T406 PolarHBondContact OG-O 2.96Å; S350-W408 PolarHBondContact OG-NE1 2.83Å; S350-Y449 WeakPolarHBondContact CB-OH 3.37Å; S350-Y449 PolarHBondContact OG-OH 3.17Å; S350-R450 CarbonylContact C-O 3.55Å; S350-R450 WeakPolarHBondContact CA-O 3.39Å
351E90.9Very high81.6Confident17 Ų1734.2 Ų34.28%0.07916%0.164CC..EExtended strand (participates in β ladder)trans-119.7122.4-178.1176.8166.8-143.200110R353 T403 Q404 H405 Y449 R450E351-R353 HydrophobicContact CG-CG 4.18Å; E351-R353 IonicContact OE1-CZ 3.82Å; E351-R353 IonicContact OE1-NE 2.69Å; E351-R353 PolarHBondContact OE1-NE 3.43Å; E351-R353 IonicContact OE1-NH2 3.58Å; E351-R353 PolarHBondContact OE1-NH2 2.89Å; E351-R353 IonicContact OE2-CZ 3.85Å; E351-R353 IonicContact OE2-NE 2.89Å; E351-R353 IonicContact OE2-NH2 2.97Å; E351-T403 HydrophobicContact CG-CG2 3.47Å; E351-T403 VanDerWaalsContact CG-CG2 3.47Å; E351-T403 VanDerWaalsContact OE1-CG2 3.23Å; E351-T403 WeakPolarHBondContact OE1-CG2 3.44Å; E351-Q404 WeakPolarHBondContact CA-O 3.48Å; E351-H405 IonicContact OE1-CE1 3.33Å; E351-H405 PolarHBondContact OE1-CE1 2.99Å; E351-Y449 CarbonylContact O-C 3.47Å; E351-Y449 WeakPolarHBondContact O-CA 3.31Å; E351-R450 HydrophobicContact CB-CB 4.48Å; E351-R450 PolarHBondContact N-O 3.02Å; E351-R450 PolarHBondContact O-N 2.81Å
352E91.4Very high79.5Confident2 Ų235.9 Ų35.91%0.00917%0.17CC..EExtended strand (participates in β ladder)trans-109.3128.4177.8-59.8173.4-123.100110.1G145 T146 L147 F148 Q404 Y449G145-E352 WeakPolarHBondContact CA-OE1 3.47Å; G145-E352 WeakPolarHBondContact CA-OE2 3.27Å; T146-E352 VanDerWaalsContact N-CD 3.32Å; T146-E352 PolarHBondContact N-OE1 3.27Å; T146-E352 PolarHBondContact N-OE2 2.78Å; T146-E352 PolarHBondContact OG1-OE1 3.26Å; T146-E352 PolarHBondContact OG1-OE2 3.43Å; L147-E352 HydrophobicContact CB-CB 4.26Å; L147-E352 HydrophobicContact CD1-CB 3.88Å; L147-E352 VanDerWaalsContact CD1-O 3.3Å; L147-E352 WeakPolarHBondContact CD1-O 3.3Å; L147-E352 HydrophobicContact CG-CB 4.15Å; L147-E352 PolarHBondContact N-OE2 3.3Å; F148-E352 HydrophobicContact CE1-CB 3.9Å; F148-E352 HydrophobicContact CE1-CG 4.28Å; F148-E352 HydrophobicContact CZ-CB 4.22Å; F148-E352 HydrophobicContact CZ-CG 4.18Å; F148-E352 PolarHBondContact N-OE2 2.75Å; E352-Q404 HydrophobicContact CB-CB 4.27Å; E352-Q404 PolarHBondContact N-O 3.24Å; E352-Q404 PolarHBondContact O-N 3.35Å; E352-Y449 HydrophobicContact CG-CD2 3.74Å; E352-Y449 HydrophobicContact CG-CE2 3.79Å
353R84.4Confident77Confident50 Ų5040.4 Ų40.419%0.18919%0.194CC..EExtended strand (participates in β ladder)trans-136.7142.9179-64.6173.7173.9-172.30.6111.9E351 P399 T403 D448E351-R353 HydrophobicContact CG-CG 4.18Å; E351-R353 IonicContact OE1-CZ 3.82Å; E351-R353 IonicContact OE1-NE 2.69Å; E351-R353 PolarHBondContact OE1-NE 3.43Å; E351-R353 IonicContact OE1-NH2 3.58Å; E351-R353 PolarHBondContact OE1-NH2 2.89Å; E351-R353 IonicContact OE2-CZ 3.85Å; E351-R353 IonicContact OE2-NE 2.89Å; E351-R353 IonicContact OE2-NH2 2.97Å; R353-P399 HydrophobicContact CB-CB 4.35Å; R353-P399 HydrophobicContact CG-CB 4.16Å; R353-T403 HydrophobicContact CG-CG2 3.74Å; R353-D448 HydrophobicContact CB-CB 4.31Å; R353-D448 PolarHBondContact N-O 3.03Å; R353-D448 PolarHBondContact O-N 3.39Å
354F82.7Confident74.3Confident4 Ų445.5 Ų45.52%0.01822%0.22CC..EExtended strand (participates in β ladder)trans-88.2144.6159.9-67.1-66.1000109.7L62 Q66 L147 L400 I445 L447L62-F354 HydrophobicContact CD2-CE1 4.37Å; Q66-F354 HydrophobicContact CB-CD2 4.36Å; Q66-F354 HydrophobicContact CB-CE2 4.07Å; L147-F354 HydrophobicContact CB-CE2 3.93Å; L147-F354 HydrophobicContact CB-CZ 3.97Å; L147-F354 HydrophobicContact CD1-CD2 4.15Å; L147-F354 HydrophobicContact CD1-CE2 4.09Å; L147-F354 HydrophobicContact CD2-CE2 4.01Å; L147-F354 HydrophobicContact CG-CE2 4.23Å; F354-L400 HydrophobicContact CB-CB 4.17Å; F354-L400 HydrophobicContact CB-CD2 4.41Å; F354-L400 WeakPolarHBondContact O-CB 3.45Å; F354-L400 PolarHBondContact O-N 3.45Å; F354-I445 HydrophobicContact CD1-CG2 4.07Å; F354-L447 HydrophobicContact CD1-CD2 3.33Å; F354-L447 HydrophobicContact CE1-CD2 3.38Å
355M73.8Confident71.3Confident4 Ų450.7 Ų50.72%0.0225%0.254CS..EExtended strand (participates in β ladder)trans-138.4151172.1-71.1172.841.100109.1F397 S446 D448M355-F397 HydrophobicContact CE-CB 3.38Å; M355-F397 HydrophobicContact CE-CD1 4.38Å; M355-F397 HydrophobicContact CE-CD2 3.19Å; M355-F397 HydrophobicContact CE-CE2 4.04Å; M355-F397 HydrophobicContact CE-CG 3.41Å; M355-F397 VanDerWaalsContact CE-CG 3.41Å; M355-F397 HydrophobicContact SD-CB 3.99Å; M355-F397 HydrophobicContact SD-CD2 4.46Å; M355-S446 PolarHBondContact N-O 3.31Å; M355-S446 PolarHBondContact O-N 2.97Å; M355-D448 HydrophobicContact SD-CB 3.96Å
356L65.5Low68.6Low60 Ų6057.2 Ų57.231%0.31429%0.288SS..EExtended strand (participates in β ladder)trans-106.5135.1171.4-74.2156.8000109.6L400L356-L400 HydrophobicContact CD1-CD1 3.68Å; L356-L400 HydrophobicContact CD1-CD2 3.63Å; L356-L400 HydrophobicContact CD1-CG 4.19Å; L356-L400 HydrophobicContact CD2-CD2 4.49Å; L356-L400 HydrophobicContact CG-CD2 3.77Å
357H61.1Low65.8Low43 Ų4360.4 Ų60.420%0.19931%0.309CS..  trans-96.7129.4157.2-67.9-103.6000109E359 H436 F444 S446H357-E359 WeakPolarHBondContact CB-O 3.4Å; H357-E359 PolarHBondContact O-N 3.32Å; H357-H436 AromaticContact NE2-NE2 3.85Å; H357-F444 HydrophobicContact CB-CB 4.35Å; H357-F444 PolarHBondContact N-O 2.97Å; H357-F444 VanDerWaalsContact N-O 3.17Å; H357-S446 VanDerWaalsContact CD2-CB 3.45Å; H357-S446 WeakPolarHBondContact CD2-CB 3.47Å; H357-S446 PolarHBondContact CD2-OG 2.99Å; H357-S446 WeakPolarHBondContact NE2-CB 3.35Å; H357-S446 PolarHBondContact NE2-OG 3.5Å
358H55.6Low62.9Low188 Ų18868.6 Ų68.687%0.8734%0.34SS*.SBendtrans-66.7-24.2170.2-68.2-68.3000111.6
359E49.9Very low60.4Low149 Ų14971.7 Ų71.770%0.69636%0.356SS*.SBendtrans-132.9156.1-177.3-63.8-177.4172.200110.8H357 P361H357-E359 WeakPolarHBondContact CB-O 3.4Å; H357-E359 PolarHBondContact O-N 3.32Å; E359-P361 VanDerWaalsContact O-CD 3.22Å; E359-P361 WeakPolarHBondContact O-CD 3.42Å; E359-P361 VanDerWaalsContact O-N 3.11Å
360N49.3Very low57.9Low39 Ų3980.9 Ų80.921%0.20940%0.396CS..  trans-62.1115.3173.7-174.6-17000109F362 L363 F444N360-F362 PolarHBondContact O-N 3.28Å; N360-F362 WeakPolarHBondContact OD1-CB 3.38Å; N360-F362 VanDerWaalsContact OD1-CD2 3.31Å; N360-F362 WeakPolarHBondContact OD1-CD2 3.33Å; N360-F362 PolarHBondContact OD1-N 2.82Å; N360-L363 HydrophobicContact CB-CD1 4.3Å; N360-L363 HydrophobicContact CB-CG 4.2Å; N360-L363 WeakPolarHBondContact O-CB 3.44Å; N360-L363 PolarHBondContact O-N 2.58Å; N360-F444 HydrophobicContact CB-CD1 4.26Å; N360-F444 HydrophobicContact CB-CE1 3.82Å; N360-F444 HydrophobicContact CB-CE2 4.13Å; N360-F444 HydrophobicContact CB-CZ 3.76Å
361P51.9Low55.7Low22 Ų2283.9 Ų83.914%0.14342%0.417CS..G310 helixtrans-62.5-19.1-178.623.4-30.7000112.6E359 L363 L364 V438E359-P361 VanDerWaalsContact O-CD 3.22Å; E359-P361 WeakPolarHBondContact O-CD 3.42Å; E359-P361 VanDerWaalsContact O-N 3.11Å; P361-L363 PolarHBondContact O-N 2.96Å; P361-L364 VanDerWaalsContact O-CB 3.26Å; P361-L364 WeakPolarHBondContact O-CB 3.36Å; P361-L364 VanDerWaalsContact O-CD1 3.3Å; P361-L364 WeakPolarHBondContact O-CD1 3.17Å; P361-L364 VanDerWaalsContact O-CG 3.28Å; P361-L364 WeakPolarHBondContact O-CG 3.49Å; P361-L364 PolarHBondContact O-N 3.06Å; P361-L364 VanDerWaalsContact O-N 3.12Å; P361-V438 HydrophobicContact CG-CB 4.17Å; P361-V438 HydrophobicContact CG-CG1 3.49Å; P361-V438 VanDerWaalsContact CG-CG1 3.49Å; P361-V438 HydrophobicContact CG-CG2 3.97Å
362F48.1Very low53.8Low40 Ų4089.8 Ų89.818%0.17544%0.438CS..G310 helixtrans-78.2-1.5175.4-60.3-79.6000114.1N360 L364 C367 I369 V438 L440N360-F362 PolarHBondContact O-N 3.28Å; N360-F362 WeakPolarHBondContact OD1-CB 3.38Å; N360-F362 VanDerWaalsContact OD1-CD2 3.31Å; N360-F362 WeakPolarHBondContact OD1-CD2 3.33Å; N360-F362 PolarHBondContact OD1-N 2.82Å; F362-L364 VanDerWaalsContact C-N 3.28Å; F362-C367 WeakPolarHBondContact CB-O 3.44Å; F362-C367 HydrophobicContact CD1-CB 3.86Å; F362-C367 WeakPolarHBondContact CD1-O 3.41Å; F362-I369 HydrophobicContact CD1-CD1 3.93Å; F362-I369 HydrophobicContact CD1-CG1 4.13Å; F362-I369 HydrophobicContact CE1-CD1 3.67Å; F362-I369 HydrophobicContact CE1-CG1 4.09Å; F362-I369 HydrophobicContact CE2-CD1 4.43Å; F362-I369 HydrophobicContact CG-CD1 4.46Å; F362-I369 HydrophobicContact CZ-CD1 3.96Å; F362-V438 HydrophobicContact CE2-CB 4.18Å; F362-L440 HydrophobicContact CD2-CD2 3.44Å; F362-L440 VanDerWaalsContact CD2-CD2 3.44Å; F362-L440 HydrophobicContact CE2-CD2 3.27Å; F362-L440 HydrophobicContact CG-CD2 4.39Å; F362-L440 HydrophobicContact CZ-CD2 4.13Å
363L39.3Very low51.8Low137 Ų13795 Ų9572%0.71748%0.476SS*.G310 helixtrans-82.1-5163.1-67.9176.5000112.8N360 P361N360-L363 HydrophobicContact CB-CD1 4.3Å; N360-L363 HydrophobicContact CB-CG 4.2Å; N360-L363 WeakPolarHBondContact O-CB 3.44Å; N360-L363 PolarHBondContact O-N 2.58Å; P361-L363 PolarHBondContact O-N 2.96Å
364L38.3Very low50.5Low114 Ų11495.7 Ų95.760%0.59748%0.483SS*.SBendtrans-58.6134.3163.9-71.3162.8000108.1P361 F362 D366 C367P361-L364 VanDerWaalsContact O-CB 3.26Å; P361-L364 WeakPolarHBondContact O-CB 3.36Å; P361-L364 VanDerWaalsContact O-CD1 3.3Å; P361-L364 WeakPolarHBondContact O-CD1 3.17Å; P361-L364 VanDerWaalsContact O-CG 3.28Å; P361-L364 WeakPolarHBondContact O-CG 3.49Å; P361-L364 PolarHBondContact O-N 3.06Å; P361-L364 VanDerWaalsContact O-N 3.12Å; F362-L364 VanDerWaalsContact C-N 3.28Å; L364-D366 PolarHBondContact O-N 2.88Å; L364-C367 PolarHBondContact O-N 2.81Å
365P34.9Very low49.7Very low108 Ų10896.6 Ų96.670%0.70149%0.487SS*.THydrogen-bonded Turntrans-54.9-17.2-155.5-28.334.6000117.6
366D40.1Very low49.6Very low156 Ų15698.4 Ų98.483%0.83450%0.498SS*.THydrogen-bonded Turntrans-122.13.4-170.3-61.3-50000115.6L364 R368L364-D366 PolarHBondContact O-N 2.88Å; D366-R368 PolarHBondContact O-N 2.83Å
367C38.3Very low49.9Very low67 Ų6796.6 Ų96.645%0.45349%0.488SS..  trans-101.765.5-178.4-77.70000112.7F362 L364F362-C367 WeakPolarHBondContact CB-O 3.44Å; F362-C367 HydrophobicContact CD1-CB 3.86Å; F362-C367 WeakPolarHBondContact CD1-O 3.41Å; L364-C367 PolarHBondContact O-N 2.81Å
368R37.3Very low50.2Low226 Ų22695.1 Ų95.185%0.85348%0.482SS*.  trans-92114.9171.3-65.2-170.5-171.1-170.64111.4D366D366-R368 PolarHBondContact O-N 2.83Å
369I45.3Very low51Low66 Ų6686.3 Ų86.334%0.33844%0.441SS..  trans-78.1121.8170.8-57.5166.7000108.6F362 S380 L440F362-I369 HydrophobicContact CD1-CD1 3.93Å; F362-I369 HydrophobicContact CD1-CG1 4.13Å; F362-I369 HydrophobicContact CE1-CD1 3.67Å; F362-I369 HydrophobicContact CE1-CG1 4.09Å; F362-I369 HydrophobicContact CE2-CD1 4.43Å; F362-I369 HydrophobicContact CG-CD1 4.46Å; F362-I369 HydrophobicContact CZ-CD1 3.96Å; I369-S380 VanDerWaalsContact CD1-OG 3.31Å; I369-S380 WeakPolarHBondContact CD1-OG 3.49Å; I369-L440 HydrophobicContact CD1-CD1 4.36Å; I369-L440 HydrophobicContact CD1-CD2 4.16Å
370K42.7Very low52.1Low206 Ų20679.3 Ų79.390%0.89641%0.408SS*.  trans-92.492.7163.1-66.8-178.2-178.5177.90107.7
371S48.2Very low53.3Low64 Ų6477.7 Ų77.745%0.44840%0.4SS..  trans-71.8152.2163.564.60000109
372R50.9Low53.8Low140 Ų14077.5 Ų77.553%0.52840%0.401SS..  trans-64.9150.7165.2-66.7-177.4176.8-177.6-1.9108.4D374 E375R372-D374 PolarHBondContact O-N 2.66Å; R372-E375 HydrophobicContact CB-CG 4.12Å; R372-E375 WeakPolarHBondContact CD-OE1 3.44Å; R372-E375 PolarHBondContact O-N 2.69Å; R372-E375 VanDerWaalsContact O-N 3.16Å
373S50.1Low54Low113 Ų11377.6 Ų77.679%0.7941%0.406SS*.THydrogen-bonded Turntrans-54-29.6-177.350.30000113.6
374D58.2Low54.7Low63 Ų6372.1 Ų72.134%0.33738%0.378SS..THydrogen-bonded Turntrans-99.9-1.3-170.2-49.9-10.1000112.5P114 R372P114-D374 HydrophobicContact CG-CB 4.21Å; R372-D374 PolarHBondContact O-N 2.66Å
375E64.9Low55.1Low23 Ų2368 Ų6811%0.10736%0.358CS..  trans-98.3129179.5-71.6175.5-16500110.9I113 P136 R372 Q377I113-E375 HydrophobicContact CG2-CG 4.47Å; P136-E375 WeakPolarHBondContact CG-OE2 3.36Å; R372-E375 HydrophobicContact CB-CG 4.12Å; R372-E375 WeakPolarHBondContact CD-OE1 3.44Å; R372-E375 PolarHBondContact O-N 2.69Å; R372-E375 VanDerWaalsContact O-N 3.16Å; E375-Q377 PolarHBondContact OE2-NE2 3.12Å
376V71.4Confident55.7Low42 Ų4263.4 Ų63.426%0.25533%0.327SS..EExtended strand (participates in β ladder)trans-95.7129.5169.9-178.30000107.9C111 I112C111-V376 CarbonylContact C-O 3.6Å; C111-V376 WeakPolarHBondContact CA-O 3.35Å; C111-V376 WeakPolarHBondContact CB-O 3.41Å; I112-V376 PolarHBondContact N-O 3.35Å; I112-V376 PolarHBondContact O-N 3.4Å
377Q71.4Confident56.1Low23 Ų2358 Ų5811%0.10730%0.3CS..EExtended strand (participates in β ladder)trans-136.3127.5171-63.1-177.219.100109.8I110 C111 P136 N138 E375 L440I110-Q377 CarbonylContact O-C 3.58Å; I110-Q377 WeakPolarHBondContact O-CA 2.9Å; C111-Q377 HydrophobicContact CB-CG 4.05Å; P136-Q377 VanDerWaalsContact CB-NE2 3.26Å; N138-Q377 PolarHBondContact ND2-OE1 2.82Å; N138-Q377 PolarHBondContact OD1-OE1 2.78Å; E375-Q377 PolarHBondContact OE2-NE2 3.12Å; Q377-L440 HydrophobicContact CB-CD1 4.49Å; Q377-L440 WeakPolarHBondContact O-CD1 3.06Å
378N68.3Low56.6Low12 Ų1261.3 Ų61.36%0.06431%0.307CS..SBendtrans-110.4-18.9179.9-72.1-26.1000112.9L78 L109 I110 S439 L440L78-N378 WeakPolarHBondContact CD1-ND2 3.38Å; L78-N378 WeakPolarHBondContact CD1-OD1 3.25Å; L109-N378 PolarHBondContact O-ND2 2.95Å; I110-N378 PolarHBondContact O-N 2.92Å; N378-S439 CarbonylContact O-C 3.39Å; N378-S439 WeakPolarHBondContact O-CA 3.49Å; N378-L440 PolarHBondContact O-N 2.81Å
379Y71.1Confident57.2Low2 Ų254.1 Ų54.11%0.00828%0.284CS..EExtended strand (participates in β ladder)trans-126.2143172-72-97.7000109C60 I110 F150 V438 L447C60-Y379 VanDerWaalsContact SG-CE2 3.58Å; I110-Y379 HydrophobicContact CB-CD2 4.39Å; I110-Y379 HydrophobicContact CG1-CD2 3.97Å; I110-Y379 HydrophobicContact CG2-CD2 4.22Å; I110-Y379 HydrophobicContact CG2-CG 4.48Å; F150-Y379 HydrophobicContact CE1-CD1 4.48Å; F150-Y379 HydrophobicContact CE1-CG 4.26Å; F150-Y379 HydrophobicContact CZ-CD1 4.23Å; F150-Y379 HydrophobicContact CZ-CG 4.44Å; Y379-V438 VanDerWaalsContact CA-O 3.29Å; Y379-V438 WeakPolarHBondContact CA-O 3.45Å; Y379-L447 HydrophobicContact CE1-CD1 4.08Å
380S74.3Confident57.3Low2 Ų251 Ų511%0.01427%0.268CS..EExtended strand (participates in β ladder)trans-125.2135.6170.2-175.80000109.3N138 I369 G382 S437 V438N138-S380 PolarHBondContact ND2-OG 3.08Å; I369-S380 VanDerWaalsContact CD1-OG 3.31Å; I369-S380 WeakPolarHBondContact CD1-OG 3.49Å; S380-G382 PolarHBondContact O-N 2.78Å; S380-S437 WeakPolarHBondContact O-CA 3.31Å; S380-V438 PolarHBondContact N-O 3.48Å; S380-V438 PolarHBondContact O-N 3.13Å
381M74.1Confident57.6Low6 Ų645.7 Ų45.73%0.0325%0.247CC..EExtended strand (participates in β ladder)trans-62.8129.9164.3-172.4-179.7170.200108.5N138 P180 M184 F435 H436N138-M381 WeakPolarHBondContact O-CB 3.37Å; N138-M381 PolarHBondContact O-N 3.49Å; P180-M381 HydrophobicContact CB-CE 3.73Å; P180-M381 HydrophobicContact CB-SD 3.79Å; P180-M381 HydrophobicContact CG-CE 4.06Å; P180-M381 HydrophobicContact CG-SD 4.19Å; M184-M381 HydrophobicContact CB-CE 3.97Å; M184-M381 HydrophobicContact CB-SD 4.01Å; M184-M381 HydrophobicContact CG-SD 4.15Å; M381-F435 HydrophobicContact CE-CB 3.78Å; M381-F435 HydrophobicContact SD-CB 4.38Å; M381-H436 CarbonylContact C-O 3.45Å; M381-H436 VanDerWaalsContact CA-O 3.28Å; M381-H436 WeakPolarHBondContact CA-O 3.29Å; M381-H436 WeakPolarHBondContact CG-O 3.5Å
382G63Low57.6Low17 Ų1744.1 Ų44.118%0.17524%0.235CC..EExtended strand (participates in β ladder)trans-105.7155.2164.200000109.8S380 H436S380-G382 PolarHBondContact O-N 2.78Å; G382-H436 PolarHBondContact N-O 3.45Å; G382-H436 VanDerWaalsContact O-O 3.12Å
383C52.8Low57.4Low42 Ų4240.5 Ų40.528%0.28423%0.226SC..  trans-83.2137.2170.562.80000110M184 S187 L188 P385M184-C383 WeakPolarHBondContact O-CB 3.03Å; S187-C383 WeakPolarHBondContact CB-SG 3.45Å; L188-C383 HydrophobicContact CD2-CB 3.87Å; C383-P385 WeakPolarHBondContact O-CD 3.12Å
384L52.3Low57.1Low23 Ų2338.5 Ų38.512%0.1221%0.211CC..  trans-86.6109.5160.5-72.7166.6000106.7L188 L386 Q434 H436 D448 R450L188-L384 WeakPolarHBondContact CD2-O 3.47Å; L384-L386 PolarHBondContact O-N 3.05Å; L384-Q434 HydrophobicContact CD1-CG 4.18Å; L384-H436 HydrophobicContact CD1-CB 4.25Å; L384-H436 HydrophobicContact CD2-CB 4.18Å; L384-H436 HydrophobicContact CG-CB 3.81Å; L384-D448 WeakPolarHBondContact CD1-OD1 3.27Å; L384-R450 HydrophobicContact CD1-CG 4.26Å
385P46.8Very low56.5Low26 Ų2637.1 Ų37.117%0.16921%0.205CC..PPolyproline II helixtrans-60.2139.5-169.526.8-34.8000111.2C383 L393C383-P385 WeakPolarHBondContact O-CD 3.12Å; P385-L393 HydrophobicContact CB-CD1 3.57Å; P385-L393 HydrophobicContact CG-CB 4.11Å; P385-L393 HydrophobicContact CG-CD1 3.5Å; P385-L393 VanDerWaalsContact CG-CD1 3.5Å; P385-L393 HydrophobicContact CG-CG 4.43Å; P385-L393 WeakPolarHBondContact O-CB 3.23Å; P385-L393 PolarHBondContact O-N 3.47Å
386L48.9Very low55.6Low12 Ų1243.6 Ų43.66%0.06324%0.24CC..BIsolated β-bridgetrans-93.5161.3172.7-57-175.8000109.2L188 L294 L384 Q391 Q505L188-L386 HydrophobicContact CB-CB 3.89Å; L188-L386 HydrophobicContact CB-CD1 4.48Å; L188-L386 HydrophobicContact CB-CG 3.94Å; L188-L386 HydrophobicContact CD1-CB 4.2Å; L188-L386 HydrophobicContact CD1-CD1 3.25Å; L188-L386 HydrophobicContact CD1-CD2 4.4Å; L188-L386 HydrophobicContact CD1-CG 3.32Å; L188-L386 HydrophobicContact CD2-CG 3.95Å; L188-L386 HydrophobicContact CG-CB 4.41Å; L188-L386 HydrophobicContact CG-CD1 4.32Å; L188-L386 HydrophobicContact CG-CG 3.9Å; L294-L386 HydrophobicContact CD2-CD1 4.39Å; L384-L386 PolarHBondContact O-N 3.05Å; L386-Q391 CarbonylContact C-O 3.43Å; L386-Q391 WeakPolarHBondContact CA-O 3.47Å; L386-Q505 VanDerWaalsContact CD2-CD 3.42Å
387T48.5Very low54.8Low43 Ų4346.7 Ų46.726%0.26425%0.251SS..PPolyproline II helixtrans-73.7166.5159.971.20000109.3I389 G390 Q391T387-I389 PolarHBondContact O-N 2.77Å; T387-I389 PolarHBondContact OG1-N 2.87Å; T387-G390 PolarHBondContact O-N 2.8Å; T387-Q391 HydrophobicContact CG2-CB 3.98Å; T387-Q391 PolarHBondContact N-O 3.44Å; T387-Q391 VanDerWaalsContact OG1-CB 3.29Å; T387-Q391 WeakPolarHBondContact OG1-CB 3.44Å; T387-Q391 PolarHBondContact OG1-N 3.44Å
388K47.4Very low54.3Low137 Ų13754.1 Ų54.160%0.59629%0.286SS*.THydrogen-bonded Turntrans-55-20.5173-68177.8-177.8166.50113.3E192 L294E192-K388 PolarHBondContact O-NZ 3.04Å; L294-K388 WeakPolarHBondContact CD1-O 3.3Å
389I49.5Very low54.1Low74 Ų7455.9 Ų55.938%0.37930%0.297SS..THydrogen-bonded Turntrans-93.7-0.4-178.4-55.8166000111.3P299 T387 Q391P299-I389 HydrophobicContact CG-CG2 3.3Å; T387-I389 PolarHBondContact O-N 2.77Å; T387-I389 PolarHBondContact OG1-N 2.87Å; I389-Q391 HydrophobicContact CB-CG 4.5Å; I389-Q391 HydrophobicContact CG2-CG 4.47Å
390G47.9Very low53.8Low0 Ų057.5 Ų57.50%031%0.306CS..SBendtrans77.720.5-175.600000113.5T387 Q505T387-G390 PolarHBondContact O-N 2.8Å; G390-Q505 VanDerWaalsContact O-CD 3.23Å; G390-Q505 PolarHBondContact O-NE2 3.03Å; G390-Q505 PolarHBondContact O-OE1 3.28Å
391Q49Very low53.7Low95 Ų9559.3 Ų59.344%0.44433%0.325SS..  trans-85150172.2-59.2177-2500109.8L386 T387 I389 L393L386-Q391 CarbonylContact C-O 3.43Å; L386-Q391 WeakPolarHBondContact CA-O 3.47Å; T387-Q391 HydrophobicContact CG2-CB 3.98Å; T387-Q391 PolarHBondContact N-O 3.44Å; T387-Q391 VanDerWaalsContact OG1-CB 3.29Å; T387-Q391 WeakPolarHBondContact OG1-CB 3.44Å; T387-Q391 PolarHBondContact OG1-N 3.44Å; I389-Q391 HydrophobicContact CB-CG 4.5Å; I389-Q391 HydrophobicContact CG2-CG 4.47Å; Q391-L393 PolarHBondContact O-N 2.74Å
392P47.7Very low53.9Low32 Ų3261.1 Ų61.121%0.20834%0.338CS..BIsolated β-bridgetrans-70.4134.5177.122.8-22.9000108.2C394P392-C394 PolarHBondContact O-N 2.97Å
393L47.5Very low55Low63 Ų6361.9 Ų61.933%0.3334%0.339SS..  trans-63.898.2151-80.1155.1000105P385 Q391 T395P385-L393 HydrophobicContact CB-CD1 3.57Å; P385-L393 HydrophobicContact CG-CB 4.11Å; P385-L393 HydrophobicContact CG-CD1 3.5Å; P385-L393 VanDerWaalsContact CG-CD1 3.5Å; P385-L393 HydrophobicContact CG-CG 4.43Å; P385-L393 WeakPolarHBondContact O-CB 3.23Å; P385-L393 PolarHBondContact O-N 3.47Å; Q391-L393 PolarHBondContact O-N 2.74Å; L393-T395 PolarHBondContact O-N 3.31Å
394C43.4Very low56.8Low71 Ų7163.1 Ų63.148%0.4834%0.341SS..  trans-60.290170.9-70.10000106.5P392 N396P392-C394 PolarHBondContact O-N 2.97Å; C394-N396 PolarHBondContact O-N 2.89Å
395T46.8Very low58.7Low35 Ų3565.5 Ų65.522%0.21535%0.351CS..  trans-65.3108.9170.558.30000105.4L393 F397L393-T395 PolarHBondContact O-N 3.31Å; T395-F397 VanDerWaalsContact CB-CE2 3.42Å; T395-F397 HydrophobicContact CG2-CD2 4.18Å; T395-F397 HydrophobicContact CG2-CE2 3.83Å; T395-F397 PolarHBondContact O-N 3.13Å; T395-F397 WeakPolarHBondContact OG1-CD2 3.46Å
396N44.6Very low61.1Low158 Ų15866.4 Ų66.485%0.84536%0.357SS*.  trans-6936.4179.9-72.5-27.2000112.2C394 Q398C394-N396 PolarHBondContact O-N 2.89Å; N396-Q398 PolarHBondContact O-N 2.83Å
397F56Low63.3Low107 Ų10768.7 Ų68.747%0.46937%0.371SS..PPolyproline II helixtrans-71.2126.3173.4-64.1-63.1000108.7M355 T395M355-F397 HydrophobicContact CE-CB 3.38Å; M355-F397 HydrophobicContact CE-CD1 4.38Å; M355-F397 HydrophobicContact CE-CD2 3.19Å; M355-F397 HydrophobicContact CE-CE2 4.04Å; M355-F397 HydrophobicContact CE-CG 3.41Å; M355-F397 VanDerWaalsContact CE-CG 3.41Å; M355-F397 HydrophobicContact SD-CB 3.99Å; M355-F397 HydrophobicContact SD-CD2 4.46Å; T395-F397 VanDerWaalsContact CB-CE2 3.42Å; T395-F397 HydrophobicContact CG2-CD2 4.18Å; T395-F397 HydrophobicContact CG2-CE2 3.83Å; T395-F397 PolarHBondContact O-N 3.13Å; T395-F397 WeakPolarHBondContact OG1-CD2 3.46Å
398Q60.2Low65.6Low180 Ų18071.4 Ų71.484%0.84138%0.377SS*.PPolyproline II helixtrans-65.1126.9171.4-75.8179.7-19.800108.5N396 L400N396-Q398 PolarHBondContact O-N 2.83Å; Q398-L400 PolarHBondContact O-N 3.41Å
399P63.9Low67.9Low48 Ų4866 Ų6631%0.31236%0.356SS..PPolyproline II helixtrans-60.7140.9173.925.2-31.9000109.5R353 G401R353-P399 HydrophobicContact CB-CB 4.35Å; R353-P399 HydrophobicContact CG-CB 4.16Å; P399-G401 PolarHBondContact O-N 3.04Å
400L65.6Low70.2Confident36 Ų3667.5 Ų67.519%0.18836%0.364CS..EExtended strand (participates in β ladder)trans-82.8107.2171.7-175.874.5000108.5F354 L356 Q398F354-L400 HydrophobicContact CB-CB 4.17Å; F354-L400 HydrophobicContact CB-CD2 4.41Å; F354-L400 WeakPolarHBondContact O-CB 3.45Å; F354-L400 PolarHBondContact O-N 3.45Å; L356-L400 HydrophobicContact CD1-CD1 3.68Å; L356-L400 HydrophobicContact CD1-CD2 3.63Å; L356-L400 HydrophobicContact CD1-CG 4.19Å; L356-L400 HydrophobicContact CD2-CD2 4.49Å; L356-L400 HydrophobicContact CG-CD2 3.77Å; Q398-L400 PolarHBondContact O-N 3.41Å
401G71.8Confident72.5Confident40 Ų4069.6 Ų69.641%0.41238%0.375SS..EExtended strand (participates in β ladder)trans79-154.1178.700000113.8P399P399-G401 PolarHBondContact O-N 3.04Å
402S77.9Confident74.8Confident44 Ų4470.2 Ų70.231%0.30838%0.376SS..EExtended strand (participates in β ladder)trans-77.9131.9-175.668.40000111.3Q66 Q404Q66-S402 PolarHBondContact NE2-OG 2.89Å; Q66-S402 PolarHBondContact OE1-OG 2.99Å; S402-Q404 PolarHBondContact OG-NE2 3Å
403T86.1Confident77.2Confident33 Ų3369.4 Ų69.420%0.20237%0.37CS..EExtended strand (participates in β ladder)trans-75.4138.4165-60.80000109.6E351 R353 H405E351-T403 HydrophobicContact CG-CG2 3.47Å; E351-T403 VanDerWaalsContact CG-CG2 3.47Å; E351-T403 VanDerWaalsContact OE1-CG2 3.23Å; E351-T403 WeakPolarHBondContact OE1-CG2 3.44Å; R353-T403 HydrophobicContact CG-CG2 3.74Å; T403-H405 VanDerWaalsContact CG2-CE1 3.47Å; T403-H405 WeakPolarHBondContact CG2-CE1 3.46Å; T403-H405 WeakPolarHBondContact CG2-NE2 3.5Å
404Q91Very high79.4Confident69 Ų6973.6 Ų73.632%0.32238%0.382SS..EExtended strand (participates in β ladder)trans-105.7138.6172.7-65.8-65.5-27.200110.7T146 L147 E351 E352 S402T146-Q404 WeakPolarHBondContact OG1-CB 3.14Å; T146-Q404 WeakPolarHBondContact OG1-CG 3.4Å; L147-Q404 HydrophobicContact CD1-CB 4.22Å; L147-Q404 HydrophobicContact CD1-CG 3.9Å; L147-Q404 HydrophobicContact CD2-CB 4.48Å; L147-Q404 HydrophobicContact CD2-CG 3.42Å; L147-Q404 VanDerWaalsContact CD2-CG 3.42Å; L147-Q404 HydrophobicContact CG-CB 3.95Å; L147-Q404 HydrophobicContact CG-CG 3.41Å; L147-Q404 VanDerWaalsContact CG-CG 3.41Å; E351-Q404 WeakPolarHBondContact CA-O 3.48Å; E352-Q404 HydrophobicContact CB-CB 4.27Å; E352-Q404 PolarHBondContact N-O 3.24Å; E352-Q404 PolarHBondContact O-N 3.35Å; S402-Q404 PolarHBondContact OG-NE2 3Å
405H93.4Very high81.7Confident72 Ų7270.4 Ų70.433%0.33336%0.361SS..EExtended strand (participates in β ladder)trans-119.3136.2178.3-59.1-76.7000109.7S350 E351 T403 R452S350-H405 VanDerWaalsContact O-CA 3.31Å; S350-H405 WeakPolarHBondContact O-CA 3.47Å; E351-H405 IonicContact OE1-CE1 3.33Å; E351-H405 PolarHBondContact OE1-CE1 2.99Å; T403-H405 VanDerWaalsContact CG2-CE1 3.47Å; T403-H405 WeakPolarHBondContact CG2-CE1 3.46Å; T403-H405 WeakPolarHBondContact CG2-NE2 3.5Å; H405-R452 PolarHBondContact CE1-NH1 3.06Å; H405-R452 VanDerWaalsContact CE1-NH1 3.28Å; H405-R452 PolarHBondContact CE1-NH2 3.5Å; H405-R452 PolarHBondContact ND1-NE 3.17Å; H405-R452 PolarHBondContact ND1-NH2 3.22Å
406T95.5Very high83.6Confident45 Ų4570 Ų7028%0.27636%0.357SS..EExtended strand (participates in β ladder)trans-128.1121.1173.8-60.50000109.1E349 S350E349-T406 CarbonylContact C-O 3.53Å; E349-T406 VanDerWaalsContact CA-O 3.27Å; E349-T406 WeakPolarHBondContact CA-O 3.3Å; S350-T406 PolarHBondContact N-O 3.46Å; S350-T406 PolarHBondContact O-N 3.34Å; S350-T406 PolarHBondContact OG-O 2.96Å
407T96.6Very high85.2Confident61 Ų6166 Ų6637%0.37434%0.342SS..EExtended strand (participates in β ladder)trans-75.9131.9172.9-52.90000110.5R347 E349 D410R347-T407 HydrophobicContact CB-CG2 3.96Å; R347-T407 HydrophobicContact CG-CG2 4.17Å; E349-T407 PolarHBondContact OE1-OG1 2.86Å; T407-D410 HydrophobicContact CG2-CB 4.38Å
408W95.9Very high86.6Confident100 Ų10066 Ų6638%0.37934%0.341SS..EExtended strand (participates in β ladder)trans-110-39.5179.7-71.688.9000113L348 S350 I431 W451L348-W408 PolarHBondContact O-N 3.39Å; S350-W408 PolarHBondContact OG-NE1 2.83Å; W408-I431 HydrophobicContact CD2-CG2 3.58Å; W408-I431 HydrophobicContact CE3-CG2 3.32Å; W408-I431 HydrophobicContact CG-CG2 4.17Å; W408-I431 HydrophobicContact CH2-CG2 4.13Å; W408-I431 HydrophobicContact CZ2-CG2 4.37Å; W408-I431 HydrophobicContact CZ3-CG2 3.62Å; W408-W451 HydrophobicContact CB-CZ3 4.35Å; W408-W451 AromaticContact CD1-CH2 3.44Å; W408-W451 VanDerWaalsContact CD1-CH2 3.44Å; W408-W451 AromaticContact CD1-CZ3 3.38Å; W408-W451 HydrophobicContact CD2-CH2 4.19Å; W408-W451 AromaticContact CE2-CH2 3.96Å; W408-W451 AromaticContact CG-CH2 3.84Å; W408-W451 HydrophobicContact CG-CH2 3.84Å; W408-W451 AromaticContact CG-CZ3 3.9Å; W408-W451 HydrophobicContact CG-CZ3 3.9Å; W408-W451 AromaticContact NE1-CH2 3.5Å; W408-W451 AromaticContact NE1-CZ3 3.89Å
409T96.2Very high88Confident24 Ų2462.8 Ų62.815%0.14733%0.329CS..EExtended strand (participates in β ladder)trans-143.7148.9174.156.20000109.3R347 L348 P426 P428R347-T409 CarbonylContact C-O 3.5Å; R347-T409 WeakPolarHBondContact CA-O 3.33Å; L348-T409 VanDerWaalsContact CB-OG1 3.28Å; L348-T409 WeakPolarHBondContact CB-OG1 3.39Å; L348-T409 PolarHBondContact N-O 3.5Å; T409-P426 HydrophobicContact CG2-CG 4.39Å; T409-P426 WeakPolarHBondContact CG2-O 3.37Å; T409-P426 PolarHBondContact OG1-O 2.84Å; T409-P428 HydrophobicContact CG2-CG 3.58Å
410D96.9Very high89.5Confident104 Ų10465.2 Ų65.256%0.55634%0.339SS*.EExtended strand (participates in β ladder)trans-142.9156.7176.468.6-80.6000111.7M346 R347 T407M346-D410 CarbonylContact O-C 3.52Å; M346-D410 VanDerWaalsContact O-CA 3.27Å; M346-D410 WeakPolarHBondContact O-CA 3.3Å; R347-D410 HydrophobicContact CB-CB 4.43Å; R347-D410 HydrophobicContact CG-CB 3.82Å; T407-D410 HydrophobicContact CG2-CB 4.38Å
411I97.1Very high90.9Very high45 Ų4564.7 Ų64.723%0.23134%0.336CS..EExtended strand (participates in β ladder)trans-139.5136.7173-171.2170.1000109.3V345 M346 L413 L425V345-I411 WeakPolarHBondContact CA-O 3.35Å; M346-I411 HydrophobicContact CB-CG2 3.99Å; M346-I411 HydrophobicContact CE-CG2 3.58Å; M346-I411 PolarHBondContact N-O 3.36Å; M346-I411 PolarHBondContact O-N 2.76Å; I411-L413 HydrophobicContact CD1-CD2 3.86Å; I411-L413 HydrophobicContact CG1-CD2 4.02Å; I411-L413 HydrophobicContact CG2-CG 4.46Å; I411-L425 HydrophobicContact CB-CD1 4.12Å; I411-L425 HydrophobicContact CG2-CD1 3.93Å
412K97.5Very high92.1Very high108 Ų10867.2 Ų67.247%0.4735%0.345SS..EExtended strand (participates in β ladder)trans-100.2123.5170.2-174.4169.8-1761750110.1V345 Y414V345-K412 HydrophobicContact CG2-CB 4.44Å; V345-K412 HydrophobicContact CG2-CD 4.44Å; V345-K412 HydrophobicContact CG2-CG 4.15Å; K412-Y414 HydrophobicContact CD-CE1 4.44Å
413L96.6Very high92.9Very high14 Ų1465.5 Ų65.57%0.07333%0.333CS..EExtended strand (participates in β ladder)trans-109.2132.3179.4-60176.4000109.5F332 S343 C344 I411 L421 F423F332-L413 HydrophobicContact CD2-CD1 4Å; F332-L413 HydrophobicContact CE2-CD1 3.6Å; S343-L413 CarbonylContact C-O 3.55Å; S343-L413 WeakPolarHBondContact CA-O 3.28Å; S343-L413 VanDerWaalsContact CB-O 3.31Å; S343-L413 WeakPolarHBondContact CB-O 3.43Å; C344-L413 HydrophobicContact CB-CB 4.38Å; C344-L413 PolarHBondContact N-O 2.77Å; C344-L413 PolarHBondContact O-N 3.39Å; I411-L413 HydrophobicContact CD1-CD2 3.86Å; I411-L413 HydrophobicContact CG1-CD2 4.02Å; I411-L413 HydrophobicContact CG2-CG 4.46Å; L413-L421 HydrophobicContact CB-CD2 3.97Å; L413-F423 HydrophobicContact CD1-CB 3.86Å; L413-F423 HydrophobicContact CD1-CD1 4.11Å; L413-F423 HydrophobicContact CD1-CG 4.17Å; L413-F423 HydrophobicContact CD2-CB 3.9Å
414Y94.3Very high93.3Very high151 Ų15167.2 Ų67.259%0.59234%0.343SS*.EExtended strand (participates in β ladder)trans-97.1103.9174.1-61.3-79.4000108.7K412K412-Y414 HydrophobicContact CD-CE1 4.44Å
415C92.8Very high93.5Very high4 Ų464 Ų643%0.02733%0.328CS..  trans-86.8-16-169.5-58.10000113.1F334 C341 L342 S417 K418F334-C415 HydrophobicContact CE2-CB 3.84Å; F334-C415 HydrophobicContact CZ-CB 3.74Å; C341-C415 HydrophobicContact CB-CB 3.84Å; C341-C415 CarbonylContact O-C 3.48Å; C341-C415 WeakPolarHBondContact O-CB 3.26Å; C341-C415 VanDerWaalsContact SG-SG 3.69Å; L342-C415 PolarHBondContact O-N 2.84Å; C415-S417 PolarHBondContact O-N 2.8Å; C415-K418 WeakPolarHBondContact O-CB 3.1Å; C415-K418 PolarHBondContact O-N 2.86Å
416I85.4Confident93.6Very high28 Ų2863.4 Ų63.414%0.14433%0.33CS..THydrogen-bonded Turntrans-58.7134.1-174.9-160148.4000112.6C341 L342 K418 F473 W487 I489C341-I416 PolarHBondContact O-N 3.31Å; L342-I416 HydrophobicContact CD1-CB 4.38Å; L342-I416 HydrophobicContact CD1-CD1 3.44Å; L342-I416 VanDerWaalsContact CD1-CD1 3.44Å; L342-I416 PolarHBondContact O-N 2.8Å; I416-K418 PolarHBondContact O-N 2.87Å; I416-F473 HydrophobicContact CD1-CE1 3.53Å; I416-F473 HydrophobicContact CD1-CZ 3.89Å; I416-F473 HydrophobicContact CG1-CD1 4.23Å; I416-F473 HydrophobicContact CG1-CE1 3.38Å; I416-F473 HydrophobicContact CG1-CZ 4.12Å; I416-W487 HydrophobicContact CD1-CH2 4.19Å; I416-W487 HydrophobicContact CG1-CH2 4.1Å; I416-I489 HydrophobicContact CD1-CD1 3.94Å; I416-I489 HydrophobicContact CD1-CG1 4.13Å; I416-I489 HydrophobicContact CD1-CG2 4.43Å; I416-I489 HydrophobicContact CG2-CD1 4.35Å
417S79.6Confident93.6Very high74 Ų7461.4 Ų61.452%0.51732%0.318SS..THydrogen-bonded Turntrans55.620.5-179.6-50.40000114.9C415C415-S417 PolarHBondContact O-N 2.8Å
418K84.9Confident93.4Very high107 Ų10759.9 Ų59.947%0.46531%0.309SS..  trans-100.8131.4172.3-57.4-58.4-178.1179.90109.4F334 C415 I416 L421F334-K418 WeakPolarHBondContact CB-O 3.43Å; F334-K418 WeakPolarHBondContact CD2-O 3.3Å; C415-K418 WeakPolarHBondContact O-CB 3.1Å; C415-K418 PolarHBondContact O-N 2.86Å; I416-K418 PolarHBondContact O-N 2.87Å; K418-L421 HydrophobicContact CB-CB 4.25Å; K418-L421 HydrophobicContact CG-CD1 4.38Å
419L90.2Very high93.1Very high111 Ų11160.2 Ų60.258%0.58132%0.323SS*.SBendtrans-87.6-35.1169.2-62.6176000111.1F334F334-L419 PolarHBondContact N-O 2.69Å
420L94Very high92.7Very high100 Ų10063.6 Ų63.652%0.52434%0.339SS..EExtended strand (participates in β ladder)trans-135.7130.6175.2-16777.4000108.2Y331 F332 D333Y331-L420 HydrophobicContact CD2-CD1 3.36Å; Y331-L420 HydrophobicContact CD2-CG 4.36Å; Y331-L420 HydrophobicContact CE2-CD1 3.77Å; Y331-L420 HydrophobicContact CG-CD1 4.01Å; F332-L420 CarbonylContact O-C 3.55Å; F332-L420 WeakPolarHBondContact O-CA 3.26Å; D333-L420 HydrophobicContact CB-CD1 4.04Å
421L95.3Very high92.5Very high24 Ų2458.6 Ų58.613%0.12631%0.313CS..EExtended strand (participates in β ladder)trans-133.298.7-178.7-177.859.1000110.7Y331 F332 F334 L413 K418Y331-L421 CarbonylContact C-O 3.47Å; Y331-L421 VanDerWaalsContact CA-O 3.27Å; Y331-L421 WeakPolarHBondContact CA-O 2.88Å; F332-L421 HydrophobicContact CB-CB 4.38Å; F332-L421 PolarHBondContact N-O 2.95Å; F332-L421 PolarHBondContact O-N 2.77Å; F334-L421 HydrophobicContact CE2-CB 4.25Å; L413-L421 HydrophobicContact CB-CD2 3.97Å; K418-L421 HydrophobicContact CB-CB 4.25Å; K418-L421 HydrophobicContact CG-CD1 4.38Å
422P96.1Very high92.3Very high93 Ų9356.9 Ų56.960%0.60430%0.304SS*.EExtended strand (participates in β ladder)trans-71.2153.9174.131-34.8000111.3G330G330-P422 WeakPolarHBondContact O-CA 3.18Å
423F95.1Very high91.9Very high9 Ų951.7 Ų51.74%0.03928%0.282CS..EExtended strand (participates in β ladder)trans-143161.9173.562.7-96000111.4L315 F317 V328 G330 F332 M346 L413L315-F423 HydrophobicContact CD1-CE1 3.44Å; L315-F423 VanDerWaalsContact CD1-CE1 3.44Å; L315-F423 HydrophobicContact CD1-CZ 3.67Å; F317-F423 HydrophobicContact CD1-CE2 4.33Å; F317-F423 AromaticContact CD1-CZ 3.99Å; F317-F423 HydrophobicContact CD1-CZ 3.99Å; F317-F423 HydrophobicContact CE1-CE2 4.07Å; F317-F423 AromaticContact CE1-CZ 3.7Å; F317-F423 HydrophobicContact CE1-CZ 3.7Å; V328-F423 HydrophobicContact CG1-CE2 4.28Å; G330-F423 PolarHBondContact N-O 3.43Å; G330-F423 PolarHBondContact O-N 3.34Å; F332-F423 AromaticContact CD2-CD1 3.92Å; F332-F423 HydrophobicContact CD2-CD1 3.92Å; F332-F423 AromaticContact CD2-CE1 3.98Å; F332-F423 HydrophobicContact CD2-CE1 3.98Å; F332-F423 AromaticContact CE2-CD1 3.92Å; F332-F423 HydrophobicContact CE2-CD1 3.92Å; F332-F423 AromaticContact CE2-CE1 3.84Å; F332-F423 HydrophobicContact CE2-CE1 3.84Å; M346-F423 HydrophobicContact CE-CD2 3.22Å; M346-F423 HydrophobicContact CE-CE2 3.4Å; M346-F423 VanDerWaalsContact CE-CE2 3.4Å; M346-F423 HydrophobicContact CE-CG 3.94Å; M346-F423 HydrophobicContact CE-CZ 4.24Å; M346-F423 HydrophobicContact SD-CD2 4.16Å; M346-F423 HydrophobicContact SD-CE2 3.76Å; M346-F423 HydrophobicContact SD-CZ 4.11Å; L413-F423 HydrophobicContact CD1-CB 3.86Å; L413-F423 HydrophobicContact CD1-CD1 4.11Å; L413-F423 HydrophobicContact CD1-CG 4.17Å; L413-F423 HydrophobicContact CD2-CB 3.9Å
424T95.7Very high91.3Very high68 Ų6852 Ų5242%0.41728%0.283SS..EExtended strand (participates in β ladder)trans-142.1123.5172.3-62.20000108.1M327 V328 R329M327-T424 HydrophobicContact CB-CG2 3.84Å; M327-T424 HydrophobicContact CG-CG2 4.24Å; M327-T424 HydrophobicContact SD-CG2 4.09Å; V328-T424 CarbonylContact O-C 3.55Å; V328-T424 WeakPolarHBondContact O-CA 3.41Å; R329-T424 HydrophobicContact CG-CG2 4.15Å
425L95.1Very high90.9Very high1 Ų145 Ų451%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-119.2119.3179.3-178.675000109.4V328 M346 L348 I411 L453V328-L425 HydrophobicContact CB-CB 4.24Å; V328-L425 PolarHBondContact N-O 2.9Å; V328-L425 PolarHBondContact O-N 2.99Å; M346-L425 HydrophobicContact CE-CB 3.73Å; M346-L425 HydrophobicContact CE-CD2 3.96Å; M346-L425 HydrophobicContact CE-CG 4.33Å; M346-L425 HydrophobicContact CG-CD2 4.36Å; L348-L425 HydrophobicContact CB-CD2 3.91Å; I411-L425 HydrophobicContact CB-CD1 4.12Å; I411-L425 HydrophobicContact CG2-CD1 3.93Å; L425-L453 HydrophobicContact CD2-CD2 3.68Å
426P95Very high90.3Very high60 Ų6045.6 Ų45.639%0.3926%0.258SS..EExtended strand (participates in β ladder)trans-73140.2-178.928-33.5000112.6M327 T409M327-P426 HydrophobicContact CE-CB 3.9Å; M327-P426 WeakPolarHBondContact SD-CA 2.93Å; M327-P426 HydrophobicContact SD-CB 3.57Å; M327-P426 VanDerWaalsContact SD-CB 3.57Å; T409-P426 HydrophobicContact CG2-CG 4.39Å; T409-P426 WeakPolarHBondContact CG2-O 3.37Å; T409-P426 PolarHBondContact OG1-O 2.84Å
427I94.5Very high90.2Very high4 Ų444.2 Ų44.22%0.02125%0.251CS..  trans-97.7115168.5-63.2163.3000107.9Y322 G325 D326 V328 L348 I431 L506Y322-I427 VanDerWaalsContact CB-CD1 3.43Å; Y322-I427 HydrophobicContact CD1-CD1 4.01Å; Y322-I427 HydrophobicContact CD2-CD1 4.33Å; Y322-I427 HydrophobicContact CG-CD1 3.69Å; G325-I427 WeakPolarHBondContact CA-O 3.38Å; G325-I427 PolarHBondContact N-O 3.22Å; G325-I427 VanDerWaalsContact N-O 3.14Å; D326-I427 HydrophobicContact CB-CD1 4.03Å; D326-I427 VanDerWaalsContact O-CB 3.3Å; D326-I427 WeakPolarHBondContact O-CB 3.38Å; D326-I427 PolarHBondContact O-N 2.72Å; V328-I427 HydrophobicContact CG2-CD1 3.72Å; V328-I427 HydrophobicContact CG2-CG1 3.97Å; L348-I427 HydrophobicContact CD2-CB 4.4Å; L348-I427 HydrophobicContact CD2-CG1 4.04Å; L348-I427 HydrophobicContact CD2-CG2 4.37Å; I427-I431 HydrophobicContact CG2-CD1 3.55Å; I427-L506 HydrophobicContact CD1-CD2 3.63Å; I427-L506 HydrophobicContact CG1-CD2 4.26Å; I427-L506 HydrophobicContact CG2-CD1 3.79Å; I427-L506 HydrophobicContact CG2-CD2 4.1Å
428P93.2Very high90.1Very high29 Ų2940.9 Ų40.919%0.18823%0.227CC..  trans-64.2145.9-180-15.624.9000112.4T409 N430 I431T409-P428 HydrophobicContact CG2-CG 3.58Å; P428-N430 VanDerWaalsContact C-N 3.3Å; P428-N430 WeakPolarHBondContact CB-OD1 3.42Å; P428-N430 PolarHBondContact O-N 2.85Å; P428-I431 HydrophobicContact CB-CG2 4.01Å; P428-I431 HydrophobicContact CG-CG2 4.16Å; P428-I431 VanDerWaalsContact O-CD1 3.32Å; P428-I431 WeakPolarHBondContact O-CD1 3.42Å; P428-I431 WeakPolarHBondContact O-CG1 2.99Å
429T89Confident89.8Confident107 Ų10735.8 Ų35.866%0.65621%0.205SC*.THydrogen-bonded Turntrans-75.8-19.3-179.8530000113.4
430N89Confident88.9Confident94 Ų9432.5 Ų32.550%0.50319%0.188SC..THydrogen-bonded Turntrans-96.610.5-173.471.5-34.1000113.8R177 P428R177-N430 PolarHBondContact NH1-O 2.89Å; R177-N430 PolarHBondContact NH2-O 2.91Å; P428-N430 VanDerWaalsContact C-N 3.3Å; P428-N430 WeakPolarHBondContact CB-OD1 3.42Å; P428-N430 PolarHBondContact O-N 2.85Å
431I92.1Very high87.7Confident0 Ų029.7 Ų29.70%018%0.175CC..SBendtrans-86.9162.7174.467-163.9000111.5R177 L324 W408 I427 P428 W451 L506R177-I431 PolarHBondContact NH2-O 3.35Å; L324-I431 WeakPolarHBondContact CD1-O 3.34Å; L324-I431 HydrophobicContact CD2-CD1 3.93Å; L324-I431 HydrophobicContact CD2-CG1 3.58Å; W408-I431 HydrophobicContact CD2-CG2 3.58Å; W408-I431 HydrophobicContact CE3-CG2 3.32Å; W408-I431 HydrophobicContact CG-CG2 4.17Å; W408-I431 HydrophobicContact CH2-CG2 4.13Å; W408-I431 HydrophobicContact CZ2-CG2 4.37Å; W408-I431 HydrophobicContact CZ3-CG2 3.62Å; I427-I431 HydrophobicContact CG2-CD1 3.55Å; P428-I431 HydrophobicContact CB-CG2 4.01Å; P428-I431 HydrophobicContact CG-CG2 4.16Å; P428-I431 VanDerWaalsContact O-CD1 3.32Å; P428-I431 WeakPolarHBondContact O-CD1 3.42Å; P428-I431 WeakPolarHBondContact O-CG1 2.99Å; I431-W451 HydrophobicContact CB-CH2 3.68Å; I431-W451 HydrophobicContact CB-CZ2 3.76Å; I431-W451 HydrophobicContact CD1-CH2 3.5Å; I431-W451 HydrophobicContact CD1-CZ2 3.73Å; I431-W451 HydrophobicContact CD1-CZ3 4.05Å; I431-W451 HydrophobicContact CG1-CH2 3.89Å; I431-W451 HydrophobicContact CG1-CZ2 3.8Å; I431-W451 HydrophobicContact CG2-CH2 3.95Å; I431-L506 HydrophobicContact CD1-CD1 3.44Å; I431-L506 VanDerWaalsContact CD1-CD1 3.44Å; I431-L506 HydrophobicContact CG1-CD1 4.39Å
432T92.3Very high86.2Confident8 Ų832.8 Ų32.85%0.04920%0.199CC..  trans-85.4129174.1-53.80000108.5P141 S142 I143 F435 Y449 W451P141-T432 HydrophobicContact CB-CG2 3.75Å; P141-T432 HydrophobicContact CG-CG2 3.7Å; S142-T432 WeakPolarHBondContact O-CG2 3.4Å; S142-T432 PolarHBondContact O-OG1 3.41Å; I143-T432 HydrophobicContact CB-CG2 4.24Å; T432-F435 HydrophobicContact CG2-CD1 4Å; T432-F435 HydrophobicContact CG2-CE1 3.93Å; T432-Y449 VanDerWaalsContact O-CE1 3.29Å; T432-Y449 WeakPolarHBondContact O-CE1 3.3Å; T432-W451 WeakPolarHBondContact O-CZ2 3.42Å; T432-W451 PolarHBondContact O-NE1 2.89Å; T432-W451 VanDerWaalsContact O-NE1 3.08Å
433P89.3Confident84.7Confident0 Ų029.8 Ų29.80%018%0.179CC..  trans-68.8174.6176.434.6-39.7000110.7P180 Y185 L324 F435 L506P180-P433 HydrophobicContact CG-CG 3.61Å; Y185-P433 WeakPolarHBondContact OH-CB 3.37Å; Y185-P433 VanDerWaalsContact OH-CG 3.3Å; Y185-P433 WeakPolarHBondContact OH-CG 3.3Å; L324-P433 HydrophobicContact CD2-CB 4.23Å; P433-F435 PolarHBondContact O-N 2.89Å; P433-L506 VanDerWaalsContact CB-O 3.29Å; P433-L506 WeakPolarHBondContact CB-O 3.33Å
434Q84.5Confident83.7Confident20 Ų2031.7 Ų31.79%0.09319%0.187CC..  trans-60.2137.5178.7178.1171.27.400110.9Y185 L384 Y449 R450 L506Y185-Q434 PolarHBondContact OH-O 3.25Å; L384-Q434 HydrophobicContact CD1-CG 4.18Å; Q434-Y449 WeakPolarHBondContact CA-O 3.32Å; Q434-Y449 WeakPolarHBondContact CG-O 3.37Å; Q434-R450 HydrophobicContact CG-CG 4.3Å; Q434-L506 PolarHBondContact N-O 3.24Å
435F85Confident82.7Confident3 Ų328.5 Ų28.51%0.01317%0.168CC..EExtended strand (participates in β ladder)trans-153.9160.4172.875.6-83.7000111.8P141 I143 F148 M381 T432 P433 Y449P141-F435 HydrophobicContact CG-CB 3.84Å; P141-F435 HydrophobicContact CG-CD1 3.26Å; P141-F435 HydrophobicContact CG-CD2 3.8Å; P141-F435 HydrophobicContact CG-CE1 3.61Å; P141-F435 HydrophobicContact CG-CE2 4.1Å; P141-F435 HydrophobicContact CG-CG 3.35Å; P141-F435 HydrophobicContact CG-CZ 4Å; I143-F435 HydrophobicContact CB-CE1 4.42Å; I143-F435 HydrophobicContact CD1-CE1 4.03Å; I143-F435 HydrophobicContact CG2-CE1 4.17Å; I143-F435 HydrophobicContact CG2-CZ 3.86Å; F148-F435 HydrophobicContact CE2-CE1 4.37Å; F148-F435 AromaticContact CE2-CZ 3.7Å; F148-F435 HydrophobicContact CE2-CZ 3.7Å; F148-F435 HydrophobicContact CZ-CZ 4.45Å; M381-F435 HydrophobicContact CE-CB 3.78Å; M381-F435 HydrophobicContact SD-CB 4.38Å; T432-F435 HydrophobicContact CG2-CD1 4Å; T432-F435 HydrophobicContact CG2-CE1 3.93Å; P433-F435 PolarHBondContact O-N 2.89Å; F435-Y449 AromaticContact CD1-CD1 3.9Å; F435-Y449 HydrophobicContact CD1-CD1 3.9Å; F435-Y449 HydrophobicContact CD1-CG 4.06Å; F435-Y449 VanDerWaalsContact CE1-CB 3.42Å; F435-Y449 AromaticContact CE1-CD1 3.84Å; F435-Y449 HydrophobicContact CE1-CD1 3.84Å; F435-Y449 AromaticContact CE1-CG 3.71Å; F435-Y449 HydrophobicContact CE1-CG 3.71Å; F435-Y449 PolarHBondContact N-O 2.99Å; F435-Y449 VanDerWaalsContact N-O 3.14Å; F435-Y449 PolarHBondContact O-N 3.04Å
436H80.3Confident82Confident17 Ų1728.4 Ų28.48%0.07917%0.168CC..EExtended strand (participates in β ladder)trans-124.1137.9167.8-179.586.5000108.4H357 M381 G382 L384 V438 S446 L447H357-H436 AromaticContact NE2-NE2 3.85Å; M381-H436 CarbonylContact C-O 3.45Å; M381-H436 VanDerWaalsContact CA-O 3.28Å; M381-H436 WeakPolarHBondContact CA-O 3.29Å; M381-H436 WeakPolarHBondContact CG-O 3.5Å; G382-H436 PolarHBondContact N-O 3.45Å; G382-H436 VanDerWaalsContact O-O 3.12Å; L384-H436 HydrophobicContact CD1-CB 4.25Å; L384-H436 HydrophobicContact CD2-CB 4.18Å; L384-H436 HydrophobicContact CG-CB 3.81Å; H436-V438 WeakPolarHBondContact NE2-CG2 3.35Å; H436-S446 VanDerWaalsContact CE1-CB 3.44Å; H436-S446 WeakPolarHBondContact CE1-CB 3.41Å; H436-S446 PolarHBondContact CE1-OG 3.37Å; H436-S446 PolarHBondContact NE2-OG 2.86Å; H436-L447 CarbonylContact C-O 3.52Å; H436-L447 WeakPolarHBondContact CA-O 3.29Å
437S83.7Confident81.5Confident0 Ų025.6 Ų25.60%015%0.149CC..EExtended strand (participates in β ladder)trans-134134.2-179.41790000110S140 S380 S446 L447S140-S437 WeakPolarHBondContact OG-CB 3.31Å; S140-S437 PolarHBondContact OG-OG 3.05Å; S380-S437 WeakPolarHBondContact O-CA 3.31Å; S437-S446 CarbonylContact O-C 3.55Å; S437-S446 WeakPolarHBondContact O-CA 3.2Å; S437-L447 PolarHBondContact N-O 3.4Å; S437-L447 PolarHBondContact O-N 3.25Å
438V78.4Confident81Confident3 Ų325.4 Ų25.42%0.01815%0.148CC..EExtended strand (participates in β ladder)trans-119.5133.8-177.6-167.30000109.3P361 F362 Y379 S380 H436 S446P361-V438 HydrophobicContact CG-CB 4.17Å; P361-V438 HydrophobicContact CG-CG1 3.49Å; P361-V438 VanDerWaalsContact CG-CG1 3.49Å; P361-V438 HydrophobicContact CG-CG2 3.97Å; F362-V438 HydrophobicContact CE2-CB 4.18Å; Y379-V438 VanDerWaalsContact CA-O 3.29Å; Y379-V438 WeakPolarHBondContact CA-O 3.45Å; S380-V438 PolarHBondContact N-O 3.48Å; S380-V438 PolarHBondContact O-N 3.13Å; H436-V438 WeakPolarHBondContact NE2-CG2 3.35Å; V438-S446 WeakPolarHBondContact CG2-OG 3.48Å
439S77.9Confident80.8Confident0 Ų024.2 Ų24.20%014%0.14CC..EExtended strand (participates in β ladder)trans-63.4131.2164.2178.90000110.3N378 T441 F444 I445N378-S439 CarbonylContact O-C 3.39Å; N378-S439 WeakPolarHBondContact O-CA 3.49Å; S439-T441 VanDerWaalsContact C-N 3.31Å; S439-T441 PolarHBondContact OG-N 2.98Å; S439-T441 PolarHBondContact OG-O 2.86Å; S439-F444 WeakPolarHBondContact O-CD1 3.33Å; S439-I445 PolarHBondContact N-O 2.63Å
440L71.8Confident80.6Confident43 Ų4320.6 Ų20.623%0.22511%0.114CC..SBendtrans-84.4-8.1175.7-61.1179.2000112.7F362 I369 Q377 N378 F444F362-L440 HydrophobicContact CD2-CD2 3.44Å; F362-L440 VanDerWaalsContact CD2-CD2 3.44Å; F362-L440 HydrophobicContact CE2-CD2 3.27Å; F362-L440 HydrophobicContact CG-CD2 4.39Å; F362-L440 HydrophobicContact CZ-CD2 4.13Å; I369-L440 HydrophobicContact CD1-CD1 4.36Å; I369-L440 HydrophobicContact CD1-CD2 4.16Å; Q377-L440 HydrophobicContact CB-CD1 4.49Å; Q377-L440 WeakPolarHBondContact O-CD1 3.06Å; N378-L440 PolarHBondContact O-N 2.81Å; L440-F444 WeakPolarHBondContact O-CE1 3.36Å
441T68.3Low80.7Confident41 Ų4116.2 Ų16.225%0.2529%0.091SC..SBendtrans-117.5148.1178.962.20000110.3S439 P443S439-T441 VanDerWaalsContact C-N 3.31Å; S439-T441 PolarHBondContact OG-N 2.98Å; S439-T441 PolarHBondContact OG-O 2.86Å; T441-P443 CarbonylContact O-C 3.56Å
442S63.1Low80.6Confident89 Ų8917.6 Ų17.662%0.62210%0.096SC*.SBendtrans-63.7135.3175.7-179.40000111.1
443P66Low80.7Confident29 Ų2917.2 Ų17.219%0.1889%0.094CC..SBendcis-75135.9-1.729.4-32.3000112.2A73 T441 I445A73-P443 WeakPolarHBondContact O-CD 3.48Å; A73-P443 WeakPolarHBondContact O-CG 3.24Å; T441-P443 CarbonylContact O-C 3.56Å; P443-I445 HydrophobicContact CB-CG1 4.26Å; P443-I445 HydrophobicContact CG-CD1 3.92Å; P443-I445 HydrophobicContact CG-CG1 4.06Å; P443-I445 PolarHBondContact O-N 2.81Å
444F72.6Confident81Confident49 Ų4918.2 Ų18.222%0.21510%0.098CC..  trans-70.869.5178.5-57.5-68.8000110.9H357 N360 S439 L440H357-F444 HydrophobicContact CB-CB 4.35Å; H357-F444 PolarHBondContact N-O 2.97Å; H357-F444 VanDerWaalsContact N-O 3.17Å; N360-F444 HydrophobicContact CB-CD1 4.26Å; N360-F444 HydrophobicContact CB-CE1 3.82Å; N360-F444 HydrophobicContact CB-CE2 4.13Å; N360-F444 HydrophobicContact CB-CZ 3.76Å; S439-F444 WeakPolarHBondContact O-CD1 3.33Å; L440-F444 WeakPolarHBondContact O-CE1 3.36Å
445I76.5Confident81.5Confident1 Ų117.2 Ų17.21%0.0059%0.094CC..EExtended strand (participates in β ladder)trans-74.3128.4177.9-61.5165.4000108.4L67 P75 F354 S439 P443 L447L67-I445 HydrophobicContact CD1-CD1 3.73Å; L67-I445 HydrophobicContact CD2-CD1 4.16Å; P75-I445 HydrophobicContact CG-CD1 4.3Å; F354-I445 HydrophobicContact CD1-CG2 4.07Å; S439-I445 PolarHBondContact N-O 2.63Å; P443-I445 HydrophobicContact CB-CG1 4.26Å; P443-I445 HydrophobicContact CG-CD1 3.92Å; P443-I445 HydrophobicContact CG-CG1 4.06Å; P443-I445 PolarHBondContact O-N 2.81Å; I445-L447 HydrophobicContact CG2-CD2 3.92Å
446S78.5Confident82.1Confident0 Ų019 Ų190%010%0.102CC..EExtended strand (participates in β ladder)trans-101.6139.7168.5-83.10000111.5M355 H357 H436 S437 V438M355-S446 PolarHBondContact N-O 3.31Å; M355-S446 PolarHBondContact O-N 2.97Å; H357-S446 VanDerWaalsContact CD2-CB 3.45Å; H357-S446 WeakPolarHBondContact CD2-CB 3.47Å; H357-S446 PolarHBondContact CD2-OG 2.99Å; H357-S446 WeakPolarHBondContact NE2-CB 3.35Å; H357-S446 PolarHBondContact NE2-OG 3.5Å; H436-S446 VanDerWaalsContact CE1-CB 3.44Å; H436-S446 WeakPolarHBondContact CE1-CB 3.41Å; H436-S446 PolarHBondContact CE1-OG 3.37Å; H436-S446 PolarHBondContact NE2-OG 2.86Å; S437-S446 CarbonylContact O-C 3.55Å; S437-S446 WeakPolarHBondContact O-CA 3.2Å; V438-S446 WeakPolarHBondContact CG2-OG 3.48Å
447L84.5Confident82.8Confident0 Ų018.1 Ų18.10%010%0.098CC..EExtended strand (participates in β ladder)trans-116.5125.2178.9-53.5176.7000107L62 F148 F150 F354 Y379 H436 S437 I445L62-L447 HydrophobicContact CD2-CD1 4.01Å; L62-L447 HydrophobicContact CD2-CD2 4.32Å; F148-L447 HydrophobicContact CB-CD1 4.25Å; F148-L447 HydrophobicContact CD1-CB 4.25Å; F148-L447 HydrophobicContact CD1-CD1 4.45Å; F148-L447 HydrophobicContact CD1-CD2 3.93Å; F148-L447 HydrophobicContact CD1-CG 4.45Å; F148-L447 HydrophobicContact CE1-CB 4.13Å; F148-L447 HydrophobicContact CE1-CD2 4.47Å; F148-L447 HydrophobicContact CG-CD1 4.16Å; F148-L447 HydrophobicContact CG-CD2 4.39Å; F148-L447 HydrophobicContact CZ-CB 4.36Å; F150-L447 HydrophobicContact CE2-CD1 3.46Å; F150-L447 VanDerWaalsContact CE2-CD1 3.46Å; F150-L447 HydrophobicContact CZ-CD1 3.47Å; F150-L447 VanDerWaalsContact CZ-CD1 3.47Å; F354-L447 HydrophobicContact CD1-CD2 3.33Å; F354-L447 HydrophobicContact CE1-CD2 3.38Å; Y379-L447 HydrophobicContact CE1-CD1 4.08Å; H436-L447 CarbonylContact C-O 3.52Å; H436-L447 WeakPolarHBondContact CA-O 3.29Å; S437-L447 PolarHBondContact N-O 3.4Å; S437-L447 PolarHBondContact O-N 3.25Å; I445-L447 HydrophobicContact CG2-CD2 3.92Å
448D83.9Confident83.4Confident1 Ų119.6 Ų19.61%0.00511%0.106CC..EExtended strand (participates in β ladder)trans-122.8122.9-175.1179.129.7000108.9R353 M355 L384 R450R353-D448 HydrophobicContact CB-CB 4.31Å; R353-D448 PolarHBondContact N-O 3.03Å; R353-D448 PolarHBondContact O-N 3.39Å; M355-D448 HydrophobicContact SD-CB 3.96Å; L384-D448 WeakPolarHBondContact CD1-OD1 3.27Å; D448-R450 WeakPolarHBondContact OD1-CG 3.22Å; D448-R450 IonicContact OD1-NE 3.57Å; D448-R450 PolarHBondContact OD1-NE 3.01Å; D448-R450 IonicContact OD2-CZ 3.73Å; D448-R450 IonicContact OD2-NE 3.29Å; D448-R450 PolarHBondContact OD2-NE 2.95Å; D448-R450 IonicContact OD2-NH2 3.82Å; D448-R450 PolarHBondContact OD2-NH2 3.28Å
449Y88.9Confident84.1Confident3 Ų319.5 Ų19.51%0.01211%0.105CC..EExtended strand (participates in β ladder)trans-124.3108.2-177.3-171.1-104.4000110I143 F148 S350 E351 E352 T432 Q434 F435 W451I143-Y449 HydrophobicContact CD1-CD1 3.94Å; I143-Y449 HydrophobicContact CD1-CD2 3.36Å; I143-Y449 HydrophobicContact CD1-CE1 3.76Å; I143-Y449 HydrophobicContact CD1-CE2 3.15Å; I143-Y449 HydrophobicContact CD1-CG 3.72Å; F148-Y449 HydrophobicContact CE2-CD2 4.42Å; F148-Y449 HydrophobicContact CZ-CD2 4.11Å; S350-Y449 WeakPolarHBondContact CB-OH 3.37Å; S350-Y449 PolarHBondContact OG-OH 3.17Å; E351-Y449 CarbonylContact O-C 3.47Å; E351-Y449 WeakPolarHBondContact O-CA 3.31Å; E352-Y449 HydrophobicContact CG-CD2 3.74Å; E352-Y449 HydrophobicContact CG-CE2 3.79Å; T432-Y449 VanDerWaalsContact O-CE1 3.29Å; T432-Y449 WeakPolarHBondContact O-CE1 3.3Å; Q434-Y449 WeakPolarHBondContact CA-O 3.32Å; Q434-Y449 WeakPolarHBondContact CG-O 3.37Å; F435-Y449 AromaticContact CD1-CD1 3.9Å; F435-Y449 HydrophobicContact CD1-CD1 3.9Å; F435-Y449 HydrophobicContact CD1-CG 4.06Å; F435-Y449 VanDerWaalsContact CE1-CB 3.42Å; F435-Y449 AromaticContact CE1-CD1 3.84Å; F435-Y449 HydrophobicContact CE1-CD1 3.84Å; F435-Y449 AromaticContact CE1-CG 3.71Å; F435-Y449 HydrophobicContact CE1-CG 3.71Å; F435-Y449 PolarHBondContact N-O 2.99Å; F435-Y449 VanDerWaalsContact N-O 3.14Å; F435-Y449 PolarHBondContact O-N 3.04Å; Y449-W451 AromaticContact CE1-CE2 3.9Å; Y449-W451 AromaticContact CE1-CZ2 3.87Å; Y449-W451 HydrophobicContact CE1-CZ2 3.87Å; Y449-W451 AromaticContact CE1-NE1 3.66Å
450R86.4Confident84.6Confident31 Ų3120 Ų2012%0.11711%0.107CC..EExtended strand (participates in β ladder)trans-125.4170.9-172.8-64.6-165.2-106.4173.9-9112.7S350 E351 L384 Q434 D448S350-R450 CarbonylContact C-O 3.55Å; S350-R450 WeakPolarHBondContact CA-O 3.39Å; E351-R450 HydrophobicContact CB-CB 4.48Å; E351-R450 PolarHBondContact N-O 3.02Å; E351-R450 PolarHBondContact O-N 2.81Å; L384-R450 HydrophobicContact CD1-CG 4.26Å; Q434-R450 HydrophobicContact CG-CG 4.3Å; D448-R450 WeakPolarHBondContact OD1-CG 3.22Å; D448-R450 IonicContact OD1-NE 3.57Å; D448-R450 PolarHBondContact OD1-NE 3.01Å; D448-R450 IonicContact OD2-CZ 3.73Å; D448-R450 IonicContact OD2-NE 3.29Å; D448-R450 PolarHBondContact OD2-NE 2.95Å; D448-R450 IonicContact OD2-NH2 3.82Å; D448-R450 PolarHBondContact OD2-NH2 3.28Å
451W90.7Very high85.2Confident3 Ų319.5 Ų19.51%0.01111%0.108CC..EExtended strand (participates in β ladder)trans-122.5143.4-178.8-69.790.7000111L348 E349 W408 I431 T432 Y449 I504 L506L348-W451 HydrophobicContact CD1-CE3 3.69Å; L348-W451 HydrophobicContact CD1-CZ3 4.16Å; L348-W451 HydrophobicContact CD2-CE3 4.41Å; L348-W451 HydrophobicContact CD2-CZ3 4.12Å; L348-W451 HydrophobicContact CG-CE3 3.88Å; L348-W451 HydrophobicContact CG-CZ3 3.82Å; E349-W451 WeakPolarHBondContact O-CA 3.22Å; W408-W451 HydrophobicContact CB-CZ3 4.35Å; W408-W451 AromaticContact CD1-CH2 3.44Å; W408-W451 VanDerWaalsContact CD1-CH2 3.44Å; W408-W451 AromaticContact CD1-CZ3 3.38Å; W408-W451 HydrophobicContact CD2-CH2 4.19Å; W408-W451 AromaticContact CE2-CH2 3.96Å; W408-W451 AromaticContact CG-CH2 3.84Å; W408-W451 HydrophobicContact CG-CH2 3.84Å; W408-W451 AromaticContact CG-CZ3 3.9Å; W408-W451 HydrophobicContact CG-CZ3 3.9Å; W408-W451 AromaticContact NE1-CH2 3.5Å; W408-W451 AromaticContact NE1-CZ3 3.89Å; I431-W451 HydrophobicContact CB-CH2 3.68Å; I431-W451 HydrophobicContact CB-CZ2 3.76Å; I431-W451 HydrophobicContact CD1-CH2 3.5Å; I431-W451 HydrophobicContact CD1-CZ2 3.73Å; I431-W451 HydrophobicContact CD1-CZ3 4.05Å; I431-W451 HydrophobicContact CG1-CH2 3.89Å; I431-W451 HydrophobicContact CG1-CZ2 3.8Å; I431-W451 HydrophobicContact CG2-CH2 3.95Å; T432-W451 WeakPolarHBondContact O-CZ2 3.42Å; T432-W451 PolarHBondContact O-NE1 2.89Å; T432-W451 VanDerWaalsContact O-NE1 3.08Å; Y449-W451 AromaticContact CE1-CE2 3.9Å; Y449-W451 AromaticContact CE1-CZ2 3.87Å; Y449-W451 HydrophobicContact CE1-CZ2 3.87Å; Y449-W451 AromaticContact CE1-NE1 3.66Å; W451-I504 HydrophobicContact CB-CG1 3.95Å; W451-I504 PolarHBondContact O-N 3.29Å; W451-L506 HydrophobicContact CB-CD1 4.41Å; W451-L506 HydrophobicContact CB-CG 4.03Å; W451-L506 HydrophobicContact CD2-CD1 3.31Å; W451-L506 HydrophobicContact CD2-CG 3.88Å; W451-L506 VanDerWaalsContact CE2-CD1 3.47Å; W451-L506 HydrophobicContact CE3-CD1 3.68Å; W451-L506 HydrophobicContact CG-CB 4.18Å; W451-L506 HydrophobicContact CG-CD1 3.64Å; W451-L506 HydrophobicContact CG-CG 3.6Å; W451-L506 HydrophobicContact CH2-CD1 4.3Å; W451-L506 HydrophobicContact CZ2-CD1 3.98Å; W451-L506 HydrophobicContact CZ3-CD1 4.15Å
452R90.2Very high85.3Confident29 Ų2920.2 Ų20.211%0.10911%0.11CC..EExtended strand (participates in β ladder)trans-144.4156175.368.8-177.1-168.4162.510.3110.9E349 H405 D501 I502E349-R452 HydrophobicContact CB-CG 3.96Å; E349-R452 PolarHBondContact N-O 2.82Å; E349-R452 PolarHBondContact O-N 3.02Å; E349-R452 IonicContact OE2-CZ 3.24Å; E349-R452 VanDerWaalsContact OE2-CZ 3.29Å; E349-R452 IonicContact OE2-NE 2.76Å; E349-R452 PolarHBondContact OE2-NE 2.8Å; E349-R452 IonicContact OE2-NH2 2.65Å; E349-R452 PolarHBondContact OE2-NH2 3.13Å; H405-R452 PolarHBondContact CE1-NH1 3.06Å; H405-R452 VanDerWaalsContact CE1-NH1 3.28Å; H405-R452 PolarHBondContact CE1-NH2 3.5Å; H405-R452 PolarHBondContact ND1-NE 3.17Å; H405-R452 PolarHBondContact ND1-NH2 3.22Å; R452-D501 IonicContact CZ-OD1 2.97Å; R452-D501 IonicContact CZ-OD2 2.68Å; R452-D501 IonicContact NE-OD1 3.87Å; R452-D501 IonicContact NH1-OD1 3.78Å; R452-D501 PolarHBondContact NH1-OD1 3.21Å; R452-D501 IonicContact NH1-OD2 2.75Å; R452-D501 PolarHBondContact NH1-OD2 3.31Å; R452-D501 IonicContact NH2-OD1 3.72Å; R452-I502 CarbonylContact C-O 3.52Å; R452-I502 VanDerWaalsContact CA-O 3.26Å; R452-I502 WeakPolarHBondContact CA-O 3.23Å
453L93.8Very high85.1Confident0 Ų020.9 Ų20.90%011%0.107CC..EExtended strand (participates in β ladder)trans-94.7119159.6-62.4173.5000107.5F317 V328 M346 R347 L348 L425 L455 D501 I502 I504F317-L453 HydrophobicContact CD1-CD1 4.23Å; F317-L453 HydrophobicContact CE1-CD1 3.33Å; F317-L453 HydrophobicContact CZ-CD1 3.54Å; V328-L453 HydrophobicContact CG1-CD1 3.96Å; M346-L453 HydrophobicContact SD-CD1 4.38Å; R347-L453 CarbonylContact O-C 3.41Å; R347-L453 VanDerWaalsContact O-CA 3.3Å; R347-L453 WeakPolarHBondContact O-CA 3.36Å; L348-L453 HydrophobicContact CB-CD2 4.46Å; L348-L453 HydrophobicContact CD1-CD2 4.2Å; L425-L453 HydrophobicContact CD2-CD2 3.68Å; L453-L455 HydrophobicContact CB-CD1 3.98Å; L453-L455 WeakPolarHBondContact O-CD1 3.47Å; L453-D501 WeakPolarHBondContact O-CA 3.49Å; L453-I502 HydrophobicContact CB-CB 4.39Å; L453-I502 PolarHBondContact N-O 3.49Å; L453-I502 PolarHBondContact O-N 2.87Å; L453-I504 HydrophobicContact CD1-CG2 3.77Å; L453-I504 HydrophobicContact CD2-CD1 4.15Å; L453-I504 HydrophobicContact CG-CD1 4.13Å; L453-I504 HydrophobicContact CG-CG1 4.46Å; L453-I504 HydrophobicContact CG-CG2 3.78Å
454H95.4Very high84.5Confident20 Ų2027 Ų279%0.09314%0.138CC..EExtended strand (participates in β ladder)trans-99.3120.6173.7174.679000108.9M346 R347 E349 E456 V499 D501M346-H454 CarbonylContact C-O 3.58Å; M346-H454 WeakPolarHBondContact CA-O 3.37Å; R347-H454 HydrophobicContact CB-CB 4.33Å; R347-H454 PolarHBondContact N-O 2.85Å; R347-H454 PolarHBondContact NH1-CD2 3.48Å; R347-H454 PolarHBondContact O-N 3.43Å; E349-H454 VanDerWaalsContact CD-CB 3.48Å; E349-H454 HydrophobicContact CG-CB 4.05Å; E349-H454 IonicContact OE1-CD2 3.86Å; E349-H454 IonicContact OE1-CG 3.82Å; E349-H454 WeakPolarHBondContact OE2-CB 3.37Å; E349-H454 IonicContact OE2-CG 3.36Å; H454-E456 WeakPolarHBondContact NE2-CG 3.5Å; H454-E456 IonicContact NE2-OE1 3.6Å; H454-V499 WeakPolarHBondContact CE1-CG1 3.32Å; H454-D501 WeakPolarHBondContact CB-OD1 3.12Å; H454-D501 IonicContact CE1-OD1 3.41Å; H454-D501 IonicContact CG-OD1 2.78Å; H454-D501 IonicContact ND1-OD1 3.32Å; H454-D501 PolarHBondContact ND1-OD1 3.49Å
455L96.3Very high83.5Confident0 Ų025.5 Ų25.50%013%0.133CC..EExtended strand (participates in β ladder)trans-112.1127.7-177.9-67.283.7000109.8L315 F332 V345 M346 L453 L457 V499 W500 I502L315-L455 HydrophobicContact CD2-CD2 3.51Å; F332-L455 HydrophobicContact CE1-CD2 4.24Å; F332-L455 HydrophobicContact CZ-CD2 3.74Å; V345-L455 WeakPolarHBondContact O-CA 3.4Å; M346-L455 HydrophobicContact CG-CG 4.24Å; L453-L455 HydrophobicContact CB-CD1 3.98Å; L453-L455 WeakPolarHBondContact O-CD1 3.47Å; L455-L457 HydrophobicContact CB-CD1 3.87Å; L455-L457 HydrophobicContact CD2-CD1 4.5Å; L455-V499 CarbonylContact O-C 3.49Å; L455-V499 WeakPolarHBondContact O-CA 3.47Å; L455-W500 HydrophobicContact CB-CB 4.49Å; L455-W500 WeakPolarHBondContact CB-O 3.3Å; L455-W500 HydrophobicContact CD2-CE3 4.45Å; L455-W500 PolarHBondContact N-O 2.86Å; L455-W500 PolarHBondContact O-N 2.81Å; L455-I502 HydrophobicContact CD1-CD1 3.67Å; L455-I502 HydrophobicContact CD1-CG1 4.01Å; L455-I502 HydrophobicContact CD2-CD1 4.48Å
456E97.1Very high82.3Confident39 Ų3933.3 Ų33.318%0.18217%0.167CC..EExtended strand (participates in β ladder)trans-114.2109.5168-62.4-172.4130.500109C344 V345 R347 H454 V499C344-E456 CarbonylContact C-O 3.58Å; C344-E456 VanDerWaalsContact CA-O 3.31Å; C344-E456 WeakPolarHBondContact CA-O 3.4Å; V345-E456 PolarHBondContact N-O 2.83Å; V345-E456 PolarHBondContact O-N 3.15Å; R347-E456 IonicContact CZ-OE2 3.22Å; R347-E456 IonicContact NH1-OE1 2.69Å; R347-E456 IonicContact NH1-OE2 3Å; R347-E456 PolarHBondContact NH1-OE2 3.29Å; R347-E456 IonicContact NH2-OE2 3.59Å; R347-E456 PolarHBondContact NH2-OE2 3.44Å; H454-E456 WeakPolarHBondContact NE2-CG 3.5Å; H454-E456 IonicContact NE2-OE1 3.6Å; E456-V499 HydrophobicContact CG-CG2 4.35Å
457L95.9Very high81Confident0 Ų039.1 Ų39.10%020%0.198CC..EExtended strand (participates in β ladder)trans-98.6127.2177.4-67.588.4000109.9I305 V312 S343 C344 L455 L459 K497 F498I305-L457 HydrophobicContact CD1-CD2 4.33Å; V312-L457 HydrophobicContact CG1-CD2 4.16Å; S343-L457 WeakPolarHBondContact O-CA 3.33Å; C344-L457 HydrophobicContact CB-CG 4.24Å; L455-L457 HydrophobicContact CB-CD1 3.87Å; L455-L457 HydrophobicContact CD2-CD1 4.5Å; L457-L459 HydrophobicContact CB-CD2 3.88Å; L457-L459 HydrophobicContact CB-CG 4.3Å; L457-L459 HydrophobicContact CD2-CD2 4.3Å; L457-L459 PolarHBondContact O-N 2.92Å; L457-K497 WeakPolarHBondContact O-CA 3.43Å; L457-F498 HydrophobicContact CB-CB 4.37Å; L457-F498 HydrophobicContact CD1-CD1 4.15Å; L457-F498 PolarHBondContact N-O 3.02Å; L457-F498 PolarHBondContact O-N 3.29Å
458D94.4Very high79.5Confident30 Ų3045.1 Ų45.116%0.1623%0.23CC..EExtended strand (participates in β ladder)trans-90.799.9170.4-61.7-50.1000108.4L342 S343L342-D458 HydrophobicContact CB-CB 4.31Å; L342-D458 WeakPolarHBondContact CB-O 3.31Å; L342-D458 PolarHBondContact N-O 3.19Å; S343-D458 PolarHBondContact O-N 3.23Å; S343-D458 PolarHBondContact OG-OD2 2.66Å
459L93.6Very high78.1Confident1 Ų146 Ų461%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-94140.7-177.7-54-177.2000110.5T307 V312 V339 C341 L457 S461 T495 E496 F498T307-L459 HydrophobicContact CG2-CD1 3.56Å; V312-L459 HydrophobicContact CG1-CD2 3.65Å; V312-L459 HydrophobicContact CG2-CD1 3.89Å; V312-L459 HydrophobicContact CG2-CD2 4.28Å; V339-L459 HydrophobicContact CG1-CB 4.08Å; V339-L459 HydrophobicContact CG1-CD1 4.17Å; V339-L459 HydrophobicContact CG1-CG 4.5Å; C341-L459 HydrophobicContact CB-CD2 3.96Å; L457-L459 HydrophobicContact CB-CD2 3.88Å; L457-L459 HydrophobicContact CB-CG 4.3Å; L457-L459 HydrophobicContact CD2-CD2 4.3Å; L457-L459 PolarHBondContact O-N 2.92Å; L459-S461 PolarHBondContact O-N 3.26Å; L459-T495 CarbonylContact O-C 3.56Å; L459-T495 WeakPolarHBondContact O-CA 3.4Å; L459-E496 HydrophobicContact CB-CG 3.88Å; L459-E496 PolarHBondContact N-O 2.85Å; L459-E496 PolarHBondContact O-N 2.91Å; L459-F498 HydrophobicContact CD1-CB 3.58Å; L459-F498 HydrophobicContact CD1-CG 4.13Å; L459-F498 HydrophobicContact CG-CB 4.04Å
460I89.7Confident76.5Confident10 Ų1050 Ų505%0.05126%0.256CS..EExtended strand (participates in β ladder)trans-74.7118178.6-60.1179000109.2R309 K340 D462 L469 F473 L493R309-I460 VanDerWaalsContact CZ-O 3.25Å; R309-I460 PolarHBondContact NH1-O 3.02Å; R309-I460 PolarHBondContact NH2-O 3.49Å; K340-I460 HydrophobicContact CB-CD1 4Å; K340-I460 HydrophobicContact CB-CG1 4.46Å; K340-I460 PolarHBondContact O-N 3.47Å; I460-D462 HydrophobicContact CG2-CB 4.33Å; I460-L469 HydrophobicContact CG2-CD1 4.07Å; I460-F473 HydrophobicContact CD1-CE2 4.08Å; I460-F473 HydrophobicContact CD1-CZ 3.73Å; I460-L493 HydrophobicContact CD1-CD1 4.23Å
461S84.2Confident75Confident34 Ų3451.2 Ų51.224%0.23827%0.265CS..  trans-83.6-13.5-178-580000114.4R309 L459 N463 K494 E496R309-S461 VanDerWaalsContact NH2-C 3.3Å; R309-S461 PolarHBondContact NH2-O 3.38Å; L459-S461 PolarHBondContact O-N 3.26Å; S461-N463 PolarHBondContact O-N 2.73Å; S461-N463 VanDerWaalsContact O-N 3.12Å; S461-K494 PolarHBondContact N-O 3.49Å; S461-E496 VanDerWaalsContact OG-CB 3.3Å; S461-E496 WeakPolarHBondContact OG-CB 3.48Å; S461-E496 WeakPolarHBondContact OG-CG 3.49Å; S461-E496 PolarHBondContact OG-N 3.35Å; S461-E496 VanDerWaalsContact OG-N 3.09Å
462D70.3Confident73.3Confident55 Ų5552.1 Ų52.129%0.29427%0.269SS..  trans-71.9112-170.1-143.9-21000111.9I460 N464 L469I460-D462 HydrophobicContact CG2-CB 4.33Å; D462-N464 PolarHBondContact OD1-N 3.13Å; D462-L469 HydrophobicContact CB-CD1 4.31Å
463N58.2Low71.7Confident103 Ų10353 Ų5355%0.55127%0.274SS*.  trans-88.7-19.8174.9-73.4-11000111.8R309 S461 S465R309-N463 PolarHBondContact NH2-OD1 3.2Å; R309-N463 VanDerWaalsContact NH2-OD1 3.13Å; S461-N463 PolarHBondContact O-N 2.73Å; S461-N463 VanDerWaalsContact O-N 3.12Å; N463-S465 PolarHBondContact O-N 3.44Å
464N53.6Low70.1Confident159 Ų15958.7 Ų58.785%0.8530%0.301SS*.THydrogen-bonded Turntrans-84.7-9.2-168.2-75.9-2.9000113.9D462D462-N464 PolarHBondContact OD1-N 3.13Å
465S51.1Low68.2Low16 Ų1659.2 Ų59.211%0.11231%0.311CS..THydrogen-bonded Turntrans-114.131.8-174.659.50000112.6N463 N467 D468 L469N463-S465 PolarHBondContact O-N 3.44Å; S465-N467 PolarHBondContact O-N 3.11Å; S465-D468 PolarHBondContact O-N 3.06Å; S465-L469 WeakPolarHBondContact O-CB 3.39Å; S465-L469 PolarHBondContact O-N 2.78Å; S465-L469 WeakPolarHBondContact OG-CD1 3.41Å; S465-L469 WeakPolarHBondContact OG-CG 3.43Å
466K51.8Low66.2Low165 Ų16565.8 Ų65.872%0.71734%0.34SS*.THydrogen-bonded Turntrans-52.4-24.9175.8-85.2-172.1178.5-178.90113.3L470K466-L470 WeakPolarHBondContact O-CB 3.37Å
467N52Low64.3Low123 Ų12365.6 Ų65.666%0.65834%0.343SS*.THydrogen-bonded Turntrans-93.2-53.3174.5-67.5-7.8000111.4S465 L469 L470 D471S465-N467 PolarHBondContact O-N 3.11Å; N467-L469 PolarHBondContact O-N 2.79Å; N467-L470 PolarHBondContact O-N 2.84Å; N467-D471 VanDerWaalsContact O-CB 3.23Å; N467-D471 WeakPolarHBondContact O-CB 3.36Å; N467-D471 PolarHBondContact O-N 3.41Å
468D52.5Low62.5Low126 Ų12667.8 Ų67.867%0.67436%0.358SS*.Hα-helixtrans-64-45.5-175.7-70.7-12.4000113.5S465 H472S465-D468 PolarHBondContact O-N 3.06Å; D468-H472 WeakPolarHBondContact O-CB 3.17Å; D468-H472 PolarHBondContact O-N 3.07Å
469L54.8Low61Low19 Ų1970.6 Ų70.610%0.09937%0.372CS..Hα-helixtrans-73.6-34.7179.3-72.6-178.3000112.4I460 D462 S465 N467 H472 F473 P490 L493I460-L469 HydrophobicContact CG2-CD1 4.07Å; D462-L469 HydrophobicContact CB-CD1 4.31Å; S465-L469 WeakPolarHBondContact O-CB 3.39Å; S465-L469 PolarHBondContact O-N 2.78Å; S465-L469 WeakPolarHBondContact OG-CD1 3.41Å; S465-L469 WeakPolarHBondContact OG-CG 3.43Å; N467-L469 PolarHBondContact O-N 2.79Å; L469-H472 CarbonylContact O-C 3.55Å; L469-H472 WeakPolarHBondContact O-CA 3.5Å; L469-H472 WeakPolarHBondContact O-CB 3.17Å; L469-H472 PolarHBondContact O-N 3.01Å; L469-F473 HydrophobicContact CB-CD2 4.24Å; L469-F473 HydrophobicContact CB-CE2 4.04Å; L469-F473 WeakPolarHBondContact O-CB 3.27Å; L469-F473 WeakPolarHBondContact O-CD2 3.3Å; L469-F473 WeakPolarHBondContact O-CG 3.47Å; L469-F473 PolarHBondContact O-N 2.8Å; L469-P490 HydrophobicContact CD2-CG 3.76Å; L469-L493 HydrophobicContact CD1-CD2 3.94Å; L469-L493 HydrophobicContact CD2-CD2 3.63Å; L469-L493 HydrophobicContact CG-CD2 4.45Å
470L54.7Low59.6Low86 Ų8679.7 Ų79.745%0.4541%0.412SS..Hα-helixtrans-70-42.4179.3-155.392.9000110.4K466 N467 H472 F473 Q474K466-L470 WeakPolarHBondContact O-CB 3.37Å; N467-L470 PolarHBondContact O-N 2.84Å; L470-H472 PolarHBondContact O-N 3.18Å; L470-F473 PolarHBondContact O-N 2.86Å; L470-Q474 WeakPolarHBondContact O-CB 3.45Å; L470-Q474 VanDerWaalsContact O-CG 3.23Å; L470-Q474 WeakPolarHBondContact O-CG 3.24Å; L470-Q474 PolarHBondContact O-N 3.31Å
471D55.5Low58.7Low58 Ų5884.8 Ų84.831%0.3143%0.431SS..Hα-helixtrans-61-37.2169.2-78.8-13.2000111N467 Q474 G475 K476N467-D471 VanDerWaalsContact O-CB 3.23Å; N467-D471 WeakPolarHBondContact O-CB 3.36Å; N467-D471 PolarHBondContact O-N 3.41Å; D471-Q474 PolarHBondContact O-N 2.8Å; D471-G475 PolarHBondContact O-N 2.75Å; D471-K476 HydrophobicContact CB-CB 4.1Å; D471-K476 HydrophobicContact CB-CD 4.06Å; D471-K476 HydrophobicContact CB-CG 4.5Å; D471-K476 WeakPolarHBondContact O-CA 2.99Å; D471-K476 VanDerWaalsContact O-CB 3.3Å; D471-K476 WeakPolarHBondContact O-CB 3.35Å; D471-K476 PolarHBondContact O-N 2.92Å; D471-K476 WeakPolarHBondContact OD1-CD 3.04Å; D471-K476 WeakPolarHBondContact OD1-CE 3.38Å; D471-K476 IonicContact OD1-NZ 2.71Å; D471-K476 PolarHBondContact OD1-NZ 2.79Å
472H55.3Low58.3Low22 Ų2291.8 Ų91.810%0.10247%0.465CS..Hα-helixtrans-63.4-50.6174.7-156.296.2000112.1D468 L469 L470 Q474 G475 S477 W487 T488D468-H472 WeakPolarHBondContact O-CB 3.17Å; D468-H472 PolarHBondContact O-N 3.07Å; L469-H472 CarbonylContact O-C 3.55Å; L469-H472 WeakPolarHBondContact O-CA 3.5Å; L469-H472 WeakPolarHBondContact O-CB 3.17Å; L469-H472 PolarHBondContact O-N 3.01Å; L470-H472 PolarHBondContact O-N 3.18Å; H472-Q474 VanDerWaalsContact C-N 3.3Å; H472-Q474 PolarHBondContact O-N 2.59Å; H472-G475 PolarHBondContact O-N 2.83Å; H472-S477 VanDerWaalsContact CA-OG 3.25Å; H472-S477 WeakPolarHBondContact CA-OG 3.18Å; H472-S477 PolarHBondContact CD2-OG 3.04Å; H472-S477 PolarHBondContact CE1-OG 2.81Å; H472-S477 WeakPolarHBondContact ND1-CB 3.25Å; H472-S477 PolarHBondContact ND1-OG 2.78Å; H472-S477 PolarHBondContact NE2-OG 3.09Å; H472-W487 AromaticContact CD2-CE2 3.46Å; H472-W487 VanDerWaalsContact CD2-CE2 3.46Å; H472-W487 AromaticContact CD2-CZ2 3.5Å; H472-W487 VanDerWaalsContact CD2-CZ2 3.5Å; H472-W487 WeakPolarHBondContact CD2-CZ2 3.44Å; H472-W487 AromaticContact CD2-NE1 3.26Å; H472-W487 PolarHBondContact CD2-NE1 2.91Å; H472-W487 VanDerWaalsContact CD2-NE1 3.26Å; H472-W487 AromaticContact NE2-CE2 3.64Å; H472-W487 AromaticContact NE2-CZ2 3.93Å; H472-W487 AromaticContact NE2-NE1 3.53Å; H472-W487 PolarHBondContact O-NE1 2.83Å; H472-T488 PolarHBondContact CE1-O 3.03Å; H472-T488 PolarHBondContact NE2-O 3.31Å
473F56.4Low58.6Low47 Ų4797 Ų9721%0.20648%0.482CS..Hα-helixtrans-68.8-25.6179.2-71.6-55.9000113.6I416 I460 L469 L470 G475 W487I416-F473 HydrophobicContact CD1-CE1 3.53Å; I416-F473 HydrophobicContact CD1-CZ 3.89Å; I416-F473 HydrophobicContact CG1-CD1 4.23Å; I416-F473 HydrophobicContact CG1-CE1 3.38Å; I416-F473 HydrophobicContact CG1-CZ 4.12Å; I460-F473 HydrophobicContact CD1-CE2 4.08Å; I460-F473 HydrophobicContact CD1-CZ 3.73Å; L469-F473 HydrophobicContact CB-CD2 4.24Å; L469-F473 HydrophobicContact CB-CE2 4.04Å; L469-F473 WeakPolarHBondContact O-CB 3.27Å; L469-F473 WeakPolarHBondContact O-CD2 3.3Å; L469-F473 WeakPolarHBondContact O-CG 3.47Å; L469-F473 PolarHBondContact O-N 2.8Å; L470-F473 PolarHBondContact O-N 2.86Å; F473-G475 PolarHBondContact O-N 2.78Å; F473-W487 HydrophobicContact CD1-CH2 4.37Å; F473-W487 AromaticContact CD1-CZ2 3.84Å; F473-W487 HydrophobicContact CD1-CZ2 3.84Å; F473-W487 HydrophobicContact CE1-CH2 4.11Å; F473-W487 AromaticContact CE1-CZ2 3.92Å; F473-W487 HydrophobicContact CE1-CZ2 3.92Å
474Q59.2Low59.3Low120 Ų12093.7 Ų93.756%0.56147%0.473SS*.THydrogen-bonded Turntrans-80.31.6170.9-70.7177.4600113.2L470 D471 H472L470-Q474 WeakPolarHBondContact O-CB 3.45Å; L470-Q474 VanDerWaalsContact O-CG 3.23Å; L470-Q474 WeakPolarHBondContact O-CG 3.24Å; L470-Q474 PolarHBondContact O-N 3.31Å; D471-Q474 PolarHBondContact O-N 2.8Å; H472-Q474 VanDerWaalsContact C-N 3.3Å; H472-Q474 PolarHBondContact O-N 2.59Å
475G55.9Low60.1Low31 Ų3190.5 Ų90.532%0.3246%0.459SS..THydrogen-bonded Turntrans82.19.7176.800000115D471 H472 F473 S477 C478D471-G475 PolarHBondContact O-N 2.75Å; H472-G475 PolarHBondContact O-N 2.83Å; F473-G475 PolarHBondContact O-N 2.78Å; G475-S477 VanDerWaalsContact C-N 3.3Å; G475-S477 PolarHBondContact O-N 2.68Å; G475-C478 PolarHBondContact O-SG 3.23Å
476K54.5Low60.7Low137 Ų13791.5 Ų91.560%0.59646%0.464SS*.THydrogen-bonded Turntrans-75-18178.8-58.3-174.4-166159.10113.6D471D471-K476 HydrophobicContact CB-CB 4.1Å; D471-K476 HydrophobicContact CB-CD 4.06Å; D471-K476 HydrophobicContact CB-CG 4.5Å; D471-K476 WeakPolarHBondContact O-CA 2.99Å; D471-K476 VanDerWaalsContact O-CB 3.3Å; D471-K476 WeakPolarHBondContact O-CB 3.35Å; D471-K476 PolarHBondContact O-N 2.92Å; D471-K476 WeakPolarHBondContact OD1-CD 3.04Å; D471-K476 WeakPolarHBondContact OD1-CE 3.38Å; D471-K476 IonicContact OD1-NZ 2.71Å; D471-K476 PolarHBondContact OD1-NZ 2.79Å
477S56.3Low61.1Low36 Ų3687.4 Ų87.425%0.25244%0.444SS..THydrogen-bonded Turntrans-92.314.1179.266.30000114.5H472 G475 L479H472-S477 VanDerWaalsContact CA-OG 3.25Å; H472-S477 WeakPolarHBondContact CA-OG 3.18Å; H472-S477 PolarHBondContact CD2-OG 3.04Å; H472-S477 PolarHBondContact CE1-OG 2.81Å; H472-S477 WeakPolarHBondContact ND1-CB 3.25Å; H472-S477 PolarHBondContact ND1-OG 2.78Å; H472-S477 PolarHBondContact NE2-OG 3.09Å; G475-S477 VanDerWaalsContact C-N 3.3Å; G475-S477 PolarHBondContact O-N 2.68Å; S477-L479 PolarHBondContact O-N 3.44Å
478C58.6Low61.6Low46 Ų4683.4 Ų83.431%0.31142%0.424SS..  trans-58.3123.4179.2-73.40000110.8G475 K480 T485G475-C478 PolarHBondContact O-SG 3.23Å; C478-K480 PolarHBondContact O-N 3.38Å; C478-T485 HydrophobicContact CB-CG2 4.14Å
479L63.5Low62.3Low88 Ų8880.6 Ų80.646%0.46141%0.409SS..EExtended strand (participates in β ladder)trans-77.2117.5170.7-67.3173.2000108S477 R481 T485 V486S477-L479 PolarHBondContact O-N 3.44Å; L479-R481 PolarHBondContact O-N 3.32Å; L479-T485 WeakPolarHBondContact O-CA 2.93Å; L479-V486 PolarHBondContact N-O 3.45Å; L479-V486 PolarHBondContact O-N 3.24Å
480K64Low62.8Low192 Ų19281.8 Ų81.884%0.83542%0.418SS*.EExtended strand (participates in β ladder)trans-68.1115.2166.2-77.3-175.7177.1-178.70108.3C478 T485C478-K480 PolarHBondContact O-N 3.38Å; K480-T485 HydrophobicContact CG-CG2 3.76Å
481R71.3Confident63.2Low118 Ų11887 Ų8745%0.44544%0.437SS..EExtended strand (participates in β ladder)trans-109.7165.1167-63.3-174.5179.6-171.60.4109L479 Y483 G484 V486L479-R481 PolarHBondContact O-N 3.32Å; R481-Y483 HydrophobicContact CB-CD1 3.99Å; R481-Y483 HydrophobicContact CB-CE1 3.71Å; R481-Y483 VanDerWaalsContact CD-CZ 3.43Å; R481-Y483 WeakPolarHBondContact CD-OH 3.33Å; R481-Y483 HydrophobicContact CG-CE1 4.32Å; R481-Y483 PolarHBondContact NH1-OH 3.17Å; R481-Y483 PolarHBondContact O-N 3.49Å; R481-G484 PolarHBondContact N-O 2.92Å; R481-G484 PolarHBondContact O-N 3.46Å; R481-V486 HydrophobicContact CG-CG2 4.47Å
482D74.3Confident64Low181 Ų18191.4 Ų91.497%0.96846%0.461SS*.THydrogen-bonded Turntrans-56.7-26-178-57.5-27.6000113.3
483Y76.7Confident65Low163 Ų16392 Ų9264%0.63946%0.464SS*.THydrogen-bonded Turntrans-1007.1178.859.9-93.1000114.3R481 V486R481-Y483 HydrophobicContact CB-CD1 3.99Å; R481-Y483 HydrophobicContact CB-CE1 3.71Å; R481-Y483 VanDerWaalsContact CD-CZ 3.43Å; R481-Y483 WeakPolarHBondContact CD-OH 3.33Å; R481-Y483 HydrophobicContact CG-CE1 4.32Å; R481-Y483 PolarHBondContact NH1-OH 3.17Å; R481-Y483 PolarHBondContact O-N 3.49Å; Y483-V486 HydrophobicContact CD2-CG2 4.28Å; Y483-V486 HydrophobicContact CE2-CG2 3.39Å
484G74.2Confident66.4Low35 Ų3597 Ų9736%0.36149%0.486SS..EExtended strand (participates in β ladder)trans131.8177.1176.800000114.7R481 V486R481-G484 PolarHBondContact N-O 2.92Å; R481-G484 PolarHBondContact O-N 3.46Å; G484-V486 PolarHBondContact O-N 3.33Å
485T69.5Low67.9Low91 Ų9194.4 Ų94.456%0.55848%0.479SS*.EExtended strand (participates in β ladder)trans-75.9114.8173.741.90000110.3C478 L479 K480C478-T485 HydrophobicContact CB-CG2 4.14Å; L479-T485 WeakPolarHBondContact O-CA 2.93Å; K480-T485 HydrophobicContact CG-CG2 3.76Å
486V63.3Low69.6Low38 Ų3896.2 Ų96.223%0.2348%0.479CS..EExtended strand (participates in β ladder)trans-104.7125.5175.8-175.10000109.2L479 R481 Y483 G484 T488L479-V486 PolarHBondContact N-O 3.45Å; L479-V486 PolarHBondContact O-N 3.24Å; R481-V486 HydrophobicContact CG-CG2 4.47Å; Y483-V486 HydrophobicContact CD2-CG2 4.28Å; Y483-V486 HydrophobicContact CE2-CG2 3.39Å; G484-V486 PolarHBondContact O-N 3.33Å; V486-T488 HydrophobicContact CG1-CG2 4.02Å
487W61.5Low71.5Confident78 Ų7896.3 Ų96.330%0.29548%0.479SS..  trans-86.4124.4169.8-17485.4000109.6I416 H472 F473 I489I416-W487 HydrophobicContact CD1-CH2 4.19Å; I416-W487 HydrophobicContact CG1-CH2 4.1Å; H472-W487 AromaticContact CD2-CE2 3.46Å; H472-W487 VanDerWaalsContact CD2-CE2 3.46Å; H472-W487 AromaticContact CD2-CZ2 3.5Å; H472-W487 VanDerWaalsContact CD2-CZ2 3.5Å; H472-W487 WeakPolarHBondContact CD2-CZ2 3.44Å; H472-W487 AromaticContact CD2-NE1 3.26Å; H472-W487 PolarHBondContact CD2-NE1 2.91Å; H472-W487 VanDerWaalsContact CD2-NE1 3.26Å; H472-W487 AromaticContact NE2-CE2 3.64Å; H472-W487 AromaticContact NE2-CZ2 3.93Å; H472-W487 AromaticContact NE2-NE1 3.53Å; H472-W487 PolarHBondContact O-NE1 2.83Å; F473-W487 HydrophobicContact CD1-CH2 4.37Å; F473-W487 AromaticContact CD1-CZ2 3.84Å; F473-W487 HydrophobicContact CD1-CZ2 3.84Å; F473-W487 HydrophobicContact CE1-CH2 4.11Å; F473-W487 AromaticContact CE1-CZ2 3.92Å; F473-W487 HydrophobicContact CE1-CZ2 3.92Å; W487-I489 HydrophobicContact CE3-CG1 4.25Å; W487-I489 HydrophobicContact CH2-CD1 4.3Å; W487-I489 HydrophobicContact CH2-CG1 3.43Å; W487-I489 VanDerWaalsContact CH2-CG1 3.43Å; W487-I489 HydrophobicContact CZ2-CG1 4.47Å; W487-I489 HydrophobicContact CZ3-CD1 4.03Å; W487-I489 HydrophobicContact CZ3-CG1 3.29Å
488T62.2Low73.3Confident39 Ų3997.2 Ų97.224%0.23948%0.478CS..  trans-124.3124-18050.50000110.2H472 V486H472-T488 PolarHBondContact CE1-O 3.03Å; H472-T488 PolarHBondContact NE2-O 3.31Å; V486-T488 HydrophobicContact CG1-CG2 4.02Å
489I66.3Low75Confident68 Ų6898.4 Ų98.435%0.34948%0.484SS..  trans-56.4138.7173.8-60.4168.3000109.5I416 W487 F491 L493I416-I489 HydrophobicContact CD1-CD1 3.94Å; I416-I489 HydrophobicContact CD1-CG1 4.13Å; I416-I489 HydrophobicContact CD1-CG2 4.43Å; I416-I489 HydrophobicContact CG2-CD1 4.35Å; W487-I489 HydrophobicContact CE3-CG1 4.25Å; W487-I489 HydrophobicContact CH2-CD1 4.3Å; W487-I489 HydrophobicContact CH2-CG1 3.43Å; W487-I489 VanDerWaalsContact CH2-CG1 3.43Å; W487-I489 HydrophobicContact CZ2-CG1 4.47Å; W487-I489 HydrophobicContact CZ3-CD1 4.03Å; W487-I489 HydrophobicContact CZ3-CG1 3.29Å; I489-F491 PolarHBondContact O-N 3.46Å; I489-L493 HydrophobicContact CG2-CD1 3.57Å; I489-L493 HydrophobicContact CG2-CG 4.48Å
490P66.7Low76.4Confident44 Ų4497.2 Ų97.229%0.28647%0.474SS..  trans-57.5135173.5-23.234.6000111.3L469 N492 L493L469-P490 HydrophobicContact CD2-CG 3.76Å; P490-N492 PolarHBondContact O-N 3.4Å; P490-L493 HydrophobicContact CB-CD2 4.18Å; P490-L493 HydrophobicContact CB-CG 4.38Å; P490-L493 HydrophobicContact CG-CD2 4.26Å
491F63.1Low77.6Confident195 Ų19591.3 Ų91.386%0.85545%0.451SS*.SBendtrans-65.5-23.7-174.4-68.4-79.1000114.1I489I489-F491 PolarHBondContact O-N 3.46Å
492N70.5Confident78.4Confident151 Ų15185.8 Ų85.881%0.80743%0.431SS*.  trans-122.372.9-175.7-72.6-19.2000111.4P490P490-N492 PolarHBondContact O-N 3.4Å
493L77.6Confident78.9Confident33 Ų3380.8 Ų80.817%0.17341%0.408CS..  trans-89.7127.5168.1-66.4175.5000109.6I460 L469 I489 P490 T495I460-L493 HydrophobicContact CD1-CD1 4.23Å; L469-L493 HydrophobicContact CD1-CD2 3.94Å; L469-L493 HydrophobicContact CD2-CD2 3.63Å; L469-L493 HydrophobicContact CG-CD2 4.45Å; I489-L493 HydrophobicContact CG2-CD1 3.57Å; I489-L493 HydrophobicContact CG2-CG 4.48Å; P490-L493 HydrophobicContact CB-CD2 4.18Å; P490-L493 HydrophobicContact CB-CG 4.38Å; P490-L493 HydrophobicContact CG-CD2 4.26Å; L493-T495 PolarHBondContact O-N 3.44Å
494K86.1Confident79.2Confident152 Ų15273.2 Ų73.266%0.66138%0.379SS*.  trans-74126.4166-68.8-176.1-179.5178.20108.7S461S461-K494 PolarHBondContact N-O 3.49Å
495T89.6Confident79.5Confident67 Ų6771.8 Ų71.841%0.41136%0.363SS..EExtended strand (participates in β ladder)trans-122.614517757.40000111.1L342 L459 L493L342-T495 HydrophobicContact CD2-CG2 3.97Å; L459-T495 CarbonylContact O-C 3.56Å; L459-T495 WeakPolarHBondContact O-CA 3.4Å; L493-T495 PolarHBondContact O-N 3.44Å
496E92.3Very high80.4Confident69 Ų6967.5 Ų67.532%0.32234%0.336SS..EExtended strand (participates in β ladder)trans-111.6144.4168.364.5-167.7173.400109.4R309 L459 S461R309-E496 WeakPolarHBondContact CD-OE1 3.46Å; R309-E496 IonicContact CZ-OE1 3.74Å; R309-E496 IonicContact NE-OE1 3.96Å; R309-E496 IonicContact NH1-OE1 2.75Å; R309-E496 PolarHBondContact NH1-OE1 2.81Å; L459-E496 HydrophobicContact CB-CG 3.88Å; L459-E496 PolarHBondContact N-O 2.85Å; L459-E496 PolarHBondContact O-N 2.91Å; S461-E496 VanDerWaalsContact OG-CB 3.3Å; S461-E496 WeakPolarHBondContact OG-CB 3.48Å; S461-E496 WeakPolarHBondContact OG-CG 3.49Å; S461-E496 PolarHBondContact OG-N 3.35Å; S461-E496 VanDerWaalsContact OG-N 3.09Å
497K94.3Very high81.2Confident139 Ų13965.9 Ų65.960%0.60433%0.326SS*.EExtended strand (participates in β ladder)trans-87.4126.3172.8-73.3-167.3170-163.10109.6L457L457-K497 WeakPolarHBondContact O-CA 3.43Å
498F94.7Very high82.1Confident54 Ų5463.7 Ų63.724%0.23732%0.318CS..EExtended strand (participates in β ladder)trans-112.1121.8169.2179.9-94.7000108.6I305 T307 L457 L459 W500I305-F498 HydrophobicContact CG2-CD1 4.36Å; I305-F498 HydrophobicContact CG2-CE1 3.78Å; I305-F498 HydrophobicContact CG2-CZ 4.43Å; T307-F498 HydrophobicContact CG2-CD2 3.87Å; T307-F498 HydrophobicContact CG2-CE2 4.07Å; T307-F498 HydrophobicContact CG2-CG 4.36Å; L457-F498 HydrophobicContact CB-CB 4.37Å; L457-F498 HydrophobicContact CD1-CD1 4.15Å; L457-F498 PolarHBondContact N-O 3.02Å; L457-F498 PolarHBondContact O-N 3.29Å; L459-F498 HydrophobicContact CD1-CB 3.58Å; L459-F498 HydrophobicContact CD1-CG 4.13Å; L459-F498 HydrophobicContact CG-CB 4.04Å; F498-W500 HydrophobicContact CD1-CB 4.45Å; F498-W500 HydrophobicContact CE1-CB 3.87Å; F498-W500 HydrophobicContact CE1-CG 4.25Å
499V94.4Very high82.5Confident71 Ų7163 Ų6343%0.4332%0.315SS..EExtended strand (participates in β ladder)trans-105.8138.2-177.41780000109.3H454 L455 E456H454-V499 WeakPolarHBondContact CE1-CG1 3.32Å; L455-V499 CarbonylContact O-C 3.49Å; L455-V499 WeakPolarHBondContact O-CA 3.47Å; E456-V499 HydrophobicContact CG-CG2 4.35Å
500W91.2Very high82.3Confident63 Ų6361.5 Ų61.524%0.23931%0.307CS..EExtended strand (participates in β ladder)trans-147.3130.6179.3-164.936.7000112F303 I305 L315 L455 F498 I502F303-W500 HydrophobicContact CB-CH2 3.2Å; F303-W500 HydrophobicContact CB-CZ2 3.95Å; F303-W500 HydrophobicContact CB-CZ3 4.08Å; F303-W500 AromaticContact CD1-CH2 3.86Å; F303-W500 HydrophobicContact CD1-CH2 3.86Å; F303-W500 AromaticContact CD1-CZ2 3.94Å; F303-W500 HydrophobicContact CD1-CZ2 3.94Å; F303-W500 HydrophobicContact CD2-CH2 4.12Å; F303-W500 AromaticContact CG-CH2 3.5Å; F303-W500 HydrophobicContact CG-CH2 3.5Å; F303-W500 VanDerWaalsContact CG-CH2 3.5Å; F303-W500 HydrophobicContact CG-CZ2 4.07Å; I305-W500 HydrophobicContact CD1-CE3 3.73Å; I305-W500 HydrophobicContact CD1-CZ3 3.61Å; I305-W500 HydrophobicContact CG1-CE3 3.79Å; I305-W500 HydrophobicContact CG1-CH2 4.31Å; I305-W500 HydrophobicContact CG1-CZ3 3.51Å; L315-W500 HydrophobicContact CB-CZ3 4.3Å; L315-W500 HydrophobicContact CD2-CZ3 3.76Å; L455-W500 HydrophobicContact CB-CB 4.49Å; L455-W500 WeakPolarHBondContact CB-O 3.3Å; L455-W500 HydrophobicContact CD2-CE3 4.45Å; L455-W500 PolarHBondContact N-O 2.86Å; L455-W500 PolarHBondContact O-N 2.81Å; F498-W500 HydrophobicContact CD1-CB 4.45Å; F498-W500 HydrophobicContact CE1-CB 3.87Å; F498-W500 HydrophobicContact CE1-CG 4.25Å; W500-I502 HydrophobicContact CD2-CD1 4.37Å; W500-I502 HydrophobicContact CD2-CG1 4.19Å; W500-I502 HydrophobicContact CE3-CD1 3.88Å; W500-I502 HydrophobicContact CE3-CG1 4.22Å; W500-I502 HydrophobicContact CH2-CD1 3.42Å; W500-I502 VanDerWaalsContact CH2-CD1 3.42Å; W500-I502 HydrophobicContact CH2-CG1 3.81Å; W500-I502 HydrophobicContact CZ2-CD1 4.1Å; W500-I502 HydrophobicContact CZ2-CG1 3.95Å; W500-I502 HydrophobicContact CZ3-CD1 3.4Å; W500-I502 VanDerWaalsContact CZ3-CD1 3.4Å; W500-I502 HydrophobicContact CZ3-CG1 4.05Å
501D89.8Confident81.4Confident69 Ų6963.4 Ų63.437%0.36932%0.32SS..EExtended strand (participates in β ladder)trans-112.5125.3-176.8-70-41.2000110.2R452 L453 H454R452-D501 IonicContact CZ-OD1 2.97Å; R452-D501 IonicContact CZ-OD2 2.68Å; R452-D501 IonicContact NE-OD1 3.87Å; R452-D501 IonicContact NH1-OD1 3.78Å; R452-D501 PolarHBondContact NH1-OD1 3.21Å; R452-D501 IonicContact NH1-OD2 2.75Å; R452-D501 PolarHBondContact NH1-OD2 3.31Å; R452-D501 IonicContact NH2-OD1 3.72Å; L453-D501 WeakPolarHBondContact O-CA 3.49Å; H454-D501 WeakPolarHBondContact CB-OD1 3.12Å; H454-D501 IonicContact CE1-OD1 3.41Å; H454-D501 IonicContact CG-OD1 2.78Å; H454-D501 IonicContact ND1-OD1 3.32Å; H454-D501 PolarHBondContact ND1-OD1 3.49Å
502I88.3Confident80.6Confident2 Ų257 Ų571%0.0130%0.299CS..EExtended strand (participates in β ladder)trans-118116.4-178.6-55173.2000108.3F303 L315 F317 R452 L453 L455 W500 I504F303-I502 HydrophobicContact CD2-CD1 4.47Å; F303-I502 HydrophobicContact CE2-CG2 3.9Å; F303-I502 HydrophobicContact CZ-CG2 3.77Å; L315-I502 HydrophobicContact CD2-CD1 3.47Å; L315-I502 VanDerWaalsContact CD2-CD1 3.47Å; F317-I502 HydrophobicContact CE2-CD1 3.71Å; F317-I502 HydrophobicContact CE2-CG2 4.25Å; F317-I502 HydrophobicContact CZ-CD1 3.79Å; R452-I502 CarbonylContact C-O 3.52Å; R452-I502 VanDerWaalsContact CA-O 3.26Å; R452-I502 WeakPolarHBondContact CA-O 3.23Å; L453-I502 HydrophobicContact CB-CB 4.39Å; L453-I502 PolarHBondContact N-O 3.49Å; L453-I502 PolarHBondContact O-N 2.87Å; L455-I502 HydrophobicContact CD1-CD1 3.67Å; L455-I502 HydrophobicContact CD1-CG1 4.01Å; L455-I502 HydrophobicContact CD2-CD1 4.48Å; W500-I502 HydrophobicContact CD2-CD1 4.37Å; W500-I502 HydrophobicContact CD2-CG1 4.19Å; W500-I502 HydrophobicContact CE3-CD1 3.88Å; W500-I502 HydrophobicContact CE3-CG1 4.22Å; W500-I502 HydrophobicContact CH2-CD1 3.42Å; W500-I502 VanDerWaalsContact CH2-CD1 3.42Å; W500-I502 HydrophobicContact CH2-CG1 3.81Å; W500-I502 HydrophobicContact CZ2-CD1 4.1Å; W500-I502 HydrophobicContact CZ2-CG1 3.95Å; W500-I502 HydrophobicContact CZ3-CD1 3.4Å; W500-I502 VanDerWaalsContact CZ3-CD1 3.4Å; W500-I502 HydrophobicContact CZ3-CG1 4.05Å; I502-I504 PolarHBondContact O-N 3.05Å
503P84.5Confident79.2Confident75 Ų7552.2 Ų52.249%0.48728%0.276SS..EExtended strand (participates in β ladder)trans-66.2135.5176.328.3-33.5000110
504I84Confident77.2Confident5 Ų555.2 Ų55.23%0.02629%0.291CS..EExtended strand (participates in β ladder)trans-128.8166.7169.867.7162.9000109.5Y322 V328 L348 W451 L453 I502 L506Y322-I504 HydrophobicContact CD2-CD1 4.47Å; V328-I504 HydrophobicContact CG2-CD1 4.44Å; L348-I504 HydrophobicContact CD1-CD1 3.49Å; L348-I504 VanDerWaalsContact CD1-CD1 3.49Å; L348-I504 HydrophobicContact CD1-CG1 4.39Å; W451-I504 HydrophobicContact CB-CG1 3.95Å; W451-I504 PolarHBondContact O-N 3.29Å; L453-I504 HydrophobicContact CD1-CG2 3.77Å; L453-I504 HydrophobicContact CD2-CD1 4.15Å; L453-I504 HydrophobicContact CG-CD1 4.13Å; L453-I504 HydrophobicContact CG-CG1 4.46Å; L453-I504 HydrophobicContact CG-CG2 3.78Å; I502-I504 PolarHBondContact O-N 3.05Å; I504-L506 HydrophobicContact CD1-CD2 4.08Å
505Q80.5Confident74.6Confident5 Ų553.2 Ų53.22%0.02329%0.287CS..EExtended strand (participates in β ladder)trans-121.7131.9-178.1-61.5-171.5-9.100111.7T320 L321 Y322 L386 G390T320-Q505 PolarHBondContact O-N 3.35Å; L321-Q505 HydrophobicContact CD1-CB 3.65Å; Y322-Q505 PolarHBondContact N-O 3.16Å; L386-Q505 VanDerWaalsContact CD2-CD 3.42Å; G390-Q505 VanDerWaalsContact O-CD 3.23Å; G390-Q505 PolarHBondContact O-NE2 3.03Å; G390-Q505 PolarHBondContact O-OE1 3.28Å
506L86.6Confident71.9Confident0 Ų055 Ų550%030%0.295CS..EExtended strand (participates in β ladder)trans-115.2121.9173.5-56.2-166.1000108.9Y322 L324 I427 I431 P433 Q434 W451 I504Y322-L506 CarbonylContact O-C 3.55Å; Y322-L506 WeakPolarHBondContact O-CA 3.49Å; L324-L506 HydrophobicContact CD2-CB 4.17Å; L324-L506 HydrophobicContact CD2-CD1 4.27Å; I427-L506 HydrophobicContact CD1-CD2 3.63Å; I427-L506 HydrophobicContact CG1-CD2 4.26Å; I427-L506 HydrophobicContact CG2-CD1 3.79Å; I427-L506 HydrophobicContact CG2-CD2 4.1Å; I431-L506 HydrophobicContact CD1-CD1 3.44Å; I431-L506 VanDerWaalsContact CD1-CD1 3.44Å; I431-L506 HydrophobicContact CG1-CD1 4.39Å; P433-L506 VanDerWaalsContact CB-O 3.29Å; P433-L506 WeakPolarHBondContact CB-O 3.33Å; Q434-L506 PolarHBondContact N-O 3.24Å; W451-L506 HydrophobicContact CB-CD1 4.41Å; W451-L506 HydrophobicContact CB-CG 4.03Å; W451-L506 HydrophobicContact CD2-CD1 3.31Å; W451-L506 HydrophobicContact CD2-CG 3.88Å; W451-L506 VanDerWaalsContact CE2-CD1 3.47Å; W451-L506 HydrophobicContact CE3-CD1 3.68Å; W451-L506 HydrophobicContact CG-CB 4.18Å; W451-L506 HydrophobicContact CG-CD1 3.64Å; W451-L506 HydrophobicContact CG-CG 3.6Å; W451-L506 HydrophobicContact CH2-CD1 4.3Å; W451-L506 HydrophobicContact CZ2-CD1 3.98Å; W451-L506 HydrophobicContact CZ3-CD1 4.15Å; I504-L506 HydrophobicContact CD1-CD2 4.08Å
507V81.5Confident69Low4 Ų454.2 Ų54.22%0.02429%0.292CS..EExtended strand (participates in β ladder)trans-111.5153.1172-66.70000110.2Y185 L291 L295 L321 Y322 C323 L324Y185-V507 HydrophobicContact CD1-CG1 3.9Å; Y185-V507 HydrophobicContact CD2-CB 4.38Å; Y185-V507 HydrophobicContact CD2-CG1 4.37Å; Y185-V507 HydrophobicContact CE1-CB 4.44Å; Y185-V507 HydrophobicContact CE1-CG1 3.85Å; Y185-V507 HydrophobicContact CE2-CB 4.12Å; Y185-V507 HydrophobicContact CE2-CG1 4.33Å; Y185-V507 HydrophobicContact CG-CG1 4.18Å; L291-V507 HydrophobicContact CD1-CG2 4.4Å; L295-V507 HydrophobicContact CD2-CG2 4.09Å; L321-V507 HydrophobicContact CD1-CG1 3.7Å; L321-V507 HydrophobicContact CD1-CG2 4.08Å; Y322-V507 WeakPolarHBondContact O-CG2 3.42Å; Y322-V507 PolarHBondContact O-N 3.32Å; C323-V507 WeakPolarHBondContact CA-O 3.1Å; L324-V507 PolarHBondContact N-O 3.29Å
508Y80.4Confident66.3Low33 Ų3351 Ų5113%0.12929%0.287CS..  trans-87.7124.7168177.4-114.1000110.2S23 L179 L324 N510S23-Y508 WeakPolarHBondContact OG-CD1 3.41Å; S23-Y508 WeakPolarHBondContact OG-CE1 3.41Å; L179-Y508 HydrophobicContact CB-CD1 4.11Å; L179-Y508 HydrophobicContact CB-CE1 4.32Å; L179-Y508 HydrophobicContact CB-CG 4.25Å; L179-Y508 HydrophobicContact CD1-CD1 4.24Å; L179-Y508 HydrophobicContact CD1-CD2 3.53Å; L179-Y508 HydrophobicContact CD1-CE1 4.05Å; L179-Y508 HydrophobicContact CD1-CE2 3.29Å; L179-Y508 HydrophobicContact CD1-CG 3.98Å; L324-Y508 HydrophobicContact CD1-CD2 4.04Å; Y508-N510 HydrophobicContact CE1-CB 3.86Å
509S71Confident63.3Low25 Ų2553.4 Ų53.418%0.17530%0.303CS..  trans-114.1128.5163.6590000108.1C323 P511C323-S509 WeakPolarHBondContact CB-OG 3.05Å; C323-S509 PolarHBondContact SG-OG 3.48Å; S509-P511 VanDerWaalsContact O-CD 3.3Å; S509-P511 WeakPolarHBondContact O-CD 3.48Å
510N61.2Low60.4Low35 Ų3552.7 Ų52.719%0.18730%0.301CS..  trans-84.3115174.5-173.3-9.1000108.6Y508 S512 V513Y508-N510 HydrophobicContact CE1-CB 3.86Å; N510-S512 PolarHBondContact O-N 3.26Å; N510-S512 VanDerWaalsContact OD1-CB 3.26Å; N510-S512 WeakPolarHBondContact OD1-CB 3.17Å; N510-S512 PolarHBondContact OD1-N 3.13Å; N510-S512 PolarHBondContact OD1-OG 2.99Å; N510-V513 HydrophobicContact CB-CG2 3.97Å; N510-V513 PolarHBondContact O-N 2.9Å
511P47.3Very low57.7Low84 Ų8456.5 Ų56.555%0.54533%0.325SS..THydrogen-bonded Turntrans-63.2-28.9174.923.5-30.8000112.4S509 V513 I514S509-P511 VanDerWaalsContact O-CD 3.3Å; S509-P511 WeakPolarHBondContact O-CD 3.48Å; P511-V513 PolarHBondContact O-N 3.29Å; P511-V513 VanDerWaalsContact O-N 3.15Å; P511-I514 VanDerWaalsContact O-CB 3.28Å; P511-I514 WeakPolarHBondContact O-CB 3.46Å; P511-I514 PolarHBondContact O-N 3.12Å
512S46.7Very low54.9Low60 Ų6060.5 Ų60.542%0.4234%0.339SS..Hα-helixtrans-64.8-20.4-179.4-370000113.7N510 I514 N516N510-S512 PolarHBondContact O-N 3.26Å; N510-S512 VanDerWaalsContact OD1-CB 3.26Å; N510-S512 WeakPolarHBondContact OD1-CB 3.17Å; N510-S512 PolarHBondContact OD1-N 3.13Å; N510-S512 PolarHBondContact OD1-OG 2.99Å; S512-I514 VanDerWaalsContact C-N 3.28Å; S512-N516 PolarHBondContact O-N 3.4Å; S512-N516 PolarHBondContact O-ND2 3.27Å
513V42.2Very low52Low52 Ų5267.2 Ų67.232%0.31537%0.37SS..Hα-helixtrans-70.2-30173.4175.90000110.5H288 N510 P511 L517H288-V513 HydrophobicContact CB-CG1 4.46Å; N510-V513 HydrophobicContact CB-CG2 3.97Å; N510-V513 PolarHBondContact O-N 2.9Å; P511-V513 PolarHBondContact O-N 3.29Å; P511-V513 VanDerWaalsContact O-N 3.15Å; V513-L517 WeakPolarHBondContact O-CB 3.24Å; V513-L517 PolarHBondContact O-N 2.9Å
514I34.2Very low49.3Very low95 Ų9569.2 Ų69.249%0.48738%0.383SS..Hα-helixtrans-69.2-43.1177.1-56.8175.1000110M292 P511 S512 L517 S518M292-I514 HydrophobicContact CE-CD1 4.39Å; P511-I514 VanDerWaalsContact O-CB 3.28Å; P511-I514 WeakPolarHBondContact O-CB 3.46Å; P511-I514 PolarHBondContact O-N 3.12Å; S512-I514 VanDerWaalsContact C-N 3.28Å; I514-L517 PolarHBondContact O-N 3.48Å; I514-S518 PolarHBondContact O-N 3.01Å
515D32.4Very low46.6Very low110 Ų11074.4 Ų74.459%0.58842%0.415SS*.Hα-helixtrans-62.5-45.8176.3-69.1-22.6000111.2L517 S518D515-L517 PolarHBondContact O-N 2.88Å; D515-S518 PolarHBondContact O-N 2.94Å; D515-S518 PolarHBondContact O-OG 3.22Å
516N32.9Very low43.8Very low106 Ų10679.8 Ų79.857%0.56745%0.451SS*.Hα-helixtrans-72.5-24.4178.9-69.7-25.9000113.9S512 S518 D519 S520S512-N516 PolarHBondContact O-N 3.4Å; S512-N516 PolarHBondContact O-ND2 3.27Å; N516-S518 VanDerWaalsContact C-N 3.29Å; N516-D519 PolarHBondContact O-N 2.89Å; N516-S520 VanDerWaalsContact O-CB 3.26Å; N516-S520 WeakPolarHBondContact O-CB 3.44Å; N516-S520 PolarHBondContact O-N 2.96Å; N516-S520 PolarHBondContact O-OG 3.18Å
517L30.9Very low41Very low51 Ų5187.2 Ų87.227%0.26749%0.489SS..Hα-helixtrans-66.8-36.7174.7-149.582.5000110.5V513 I514 D515 D519 S520 L521V513-L517 WeakPolarHBondContact O-CB 3.24Å; V513-L517 PolarHBondContact O-N 2.9Å; I514-L517 PolarHBondContact O-N 3.48Å; D515-L517 PolarHBondContact O-N 2.88Å; L517-D519 VanDerWaalsContact C-N 3.28Å; L517-D519 PolarHBondContact O-N 3.49Å; L517-S520 WeakPolarHBondContact CA-OG 3.47Å; L517-S520 PolarHBondContact O-N 2.83Å; L517-S520 PolarHBondContact O-OG 3.44Å; L517-L521 HydrophobicContact CG-CD1 4.41Å; L517-L521 WeakPolarHBondContact O-CB 3.17Å; L517-L521 WeakPolarHBondContact O-CD1 3.05Å; L517-L521 WeakPolarHBondContact O-CG 3.23Å; L517-L521 PolarHBondContact O-N 2.91Å; L517-L521 VanDerWaalsContact O-N 3.1Å
518S36.8Very low38.2Very low71 Ų7191.8 Ų91.850%0.49752%0.522SS..Hα-helixtrans-63.6-33.5177.181.50000112.6I514 D515 N516I514-S518 PolarHBondContact O-N 3.01Å; D515-S518 PolarHBondContact O-N 2.94Å; D515-S518 PolarHBondContact O-OG 3.22Å; N516-S518 VanDerWaalsContact C-N 3.29Å
519D32.5Very low35.7Very low106 Ų10697.9 Ų97.957%0.56756%0.557SS**Hα-helixtrans-86.5-38176.8-81-24000113N516 L517 L521 K522N516-D519 PolarHBondContact O-N 2.89Å; L517-D519 VanDerWaalsContact C-N 3.28Å; L517-D519 PolarHBondContact O-N 3.49Å; D519-L521 VanDerWaalsContact C-N 3.35Å; D519-L521 PolarHBondContact O-N 3.44Å; D519-K522 WeakPolarHBondContact O-CB 3.36Å; D519-K522 PolarHBondContact O-N 2.9Å; D519-K522 VanDerWaalsContact O-N 3.08Å
520S33.7Very low33.5Very low56 Ų56108.2 Ų108.239%0.39261%0.608SS.*Hα-helixtrans-71.5-24.7-179.764.70000114.1N516 L517 K522 H523N516-S520 VanDerWaalsContact O-CB 3.26Å; N516-S520 WeakPolarHBondContact O-CB 3.44Å; N516-S520 PolarHBondContact O-N 2.96Å; N516-S520 PolarHBondContact O-OG 3.18Å; L517-S520 WeakPolarHBondContact CA-OG 3.47Å; L517-S520 PolarHBondContact O-N 2.83Å; L517-S520 PolarHBondContact O-OG 3.44Å; S520-K522 PolarHBondContact O-N 2.92Å; S520-H523 CarbonylContact O-C 3.55Å; S520-H523 PolarHBondContact O-N 2.71Å
521L34.6Very low32.1Very low142 Ų142111.9 Ų111.974%0.74363%0.629SS**THydrogen-bonded Turntrans-65.5-17.8169.9-84.9160.2000112.5L517 D519L517-L521 HydrophobicContact CG-CD1 4.41Å; L517-L521 WeakPolarHBondContact O-CB 3.17Å; L517-L521 WeakPolarHBondContact O-CD1 3.05Å; L517-L521 WeakPolarHBondContact O-CG 3.23Å; L517-L521 PolarHBondContact O-N 2.91Å; L517-L521 VanDerWaalsContact O-N 3.1Å; D519-L521 VanDerWaalsContact C-N 3.35Å; D519-L521 PolarHBondContact O-N 3.44Å
522K30.9Very low31.3Very low154 Ų154113.4 Ų113.467%0.6763%0.633SS**THydrogen-bonded Turntrans-89.4-26.8176.7-68.2-178.5-179170.30113.4D519 S520D519-K522 WeakPolarHBondContact O-CB 3.36Å; D519-K522 PolarHBondContact O-N 2.9Å; D519-K522 VanDerWaalsContact O-N 3.08Å; S520-K522 PolarHBondContact O-N 2.92Å
523H27.8Very low30.5Very low142 Ų142116.3 Ų116.366%0.65765%0.645SS**  trans-146.3113.6177.3-66.3-63000111.3S520 V525S520-H523 CarbonylContact O-C 3.55Å; S520-H523 PolarHBondContact O-N 2.71Å; H523-V525 PolarHBondContact O-N 2.9Å
524P26.8Very low29.8Very low118 Ų118120.1 Ų120.177%0.76666%0.664SS**  trans-62.7108167.325.7-30.8000107.9C526P524-C526 PolarHBondContact O-N 3.48Å
525V26.7Very low29.5Very low114 Ų114121.7 Ų121.769%0.69168%0.675SS**  trans-73.495.3178.8-174.10000108.1H523 I527H523-V525 PolarHBondContact O-N 2.9Å; V525-I527 HydrophobicContact CG1-CD1 4.24Å; V525-I527 HydrophobicContact CG1-CG1 3.62Å; V525-I527 PolarHBondContact O-N 2.94Å
526C23.1Very low29.3Very low117 Ų117122.5 Ų122.579%0.79168%0.681SS**  trans-72.9101.5161.5-73.20000108.1P524 S528P524-C526 PolarHBondContact O-N 3.48Å; C526-S528 PolarHBondContact O-N 3.12Å
527I28Very low29.1Very low156 Ų156123.6 Ų123.680%0.869%0.689SS**  trans-86.799.5167.6-52.9-178.8000107V525V525-I527 HydrophobicContact CG1-CD1 4.24Å; V525-I527 HydrophobicContact CG1-CG1 3.62Å; V525-I527 PolarHBondContact O-N 2.94Å
528S22.9Very low28.9Very low101 Ų101129.2 Ų129.271%0.70672%0.722SS**  trans-92.1142.3161.951.10000109.3C526C526-S528 PolarHBondContact O-N 3.12Å
529D26.5Very low28.3Very low161 Ų161134.1 Ų134.186%0.86174%0.74SS**  trans-45.7139.7-175.6-62.1-45.5000115.1
530I26Very low27.9Very low242 Ų242136.6 Ų136.6100%1.24176%0.756SS**  trans-128.90144-62.5179.4000107.2

Retrieved 530 of 530 residues in 224.7 ms (Link to these results)

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