A0A093HRB3_STRCA Loading...

Uncharacterized protein C12orf4

AlphaFold DB , UniProt , Accession A0A093HRB3, Species STRCA (Struthio camelus australis), Gene n/a, Length 549 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
1M33.7Very low43.8Very low244 Ų244139.6 Ų139.6100%1.20275%0.745SS**  094.80-77.6174.9151.200111
2K28.5Very low46.9Very low211 Ų211137.5 Ų137.592%0.91773%0.727SS**  trans-90.6118163.9-80-179.2176.8176.30107N4K2-N4 PolarHBondContact O-N 3.36Å
3S30.9Very low49.8Very low99 Ų99130.5 Ų130.569%0.69269%0.685SS**  trans-60.8103.9174.3174.50000108.7K5S3-K5 PolarHBondContact O-N 3.01Å
4N31Very low52.5Low170 Ų170128 Ų12891%0.90967%0.673SS**  trans-71.684.7165.7-123.74.3000106.4K2 G6K2-N4 PolarHBondContact O-N 3.36Å; N4-G6 PolarHBondContact O-N 3.35Å
5K37.8Very low54.8Low184 Ų184119.9 Ų119.980%0.863%0.629SS**  trans-68.480.3167.5-74.3-174176.5179.50107.9S3 K7S3-K5 PolarHBondContact O-N 3.01Å; K5-K7 PolarHBondContact O-N 3.01Å
6G37.1Very low56.9Low61 Ų61117.1 Ų117.163%0.62962%0.619SS**  trans-50.9136.115300000107.3N4 A8N4-G6 PolarHBondContact O-N 3.35Å; G6-A8 VanDerWaalsContact C-N 3.32Å; G6-A8 PolarHBondContact O-N 3.03Å
7K43.9Very low58.6Low209 Ų209110.5 Ų110.591%0.90958%0.584SS**  trans-54.197.1180-75176176.11760108.7K5 C9K5-K7 PolarHBondContact O-N 3.01Å; K7-C9 PolarHBondContact O-N 2.96Å
8A49.1Very low60.1Low65 Ų65112.8 Ų112.854%0.53759%0.588SS.*  trans-61.6112173.700000106.4G6 T10G6-A8 VanDerWaalsContact C-N 3.32Å; G6-A8 PolarHBondContact O-N 3.03Å; A8-T10 PolarHBondContact O-N 3.5Å
9C51.7Low61.4Low85 Ų85107.9 Ų107.957%0.57456%0.561SS**  trans-69.485.8173.1-175.90000106.7K7 R11K7-C9 PolarHBondContact O-N 2.96Å; C9-R11 PolarHBondContact O-N 2.74Å; C9-R11 VanDerWaalsContact O-N 3.08Å
10T62.4Low62.2Low102 Ų102105.9 Ų105.963%0.62656%0.557SS**  trans-66.7109176.840.60000108.6A8 F34A8-T10 PolarHBondContact O-N 3.5Å; T10-F34 WeakPolarHBondContact CA-O 3.47Å
11R76.1Confident62.8Low106 Ų106102.5 Ų102.540%0.454%0.544SS..EExtended strand (participates in β ladder)trans-103.9134.4174.4-64-175.2-177.4-162.51.4108.9C9 F34 R79C9-R11 PolarHBondContact O-N 2.74Å; C9-R11 VanDerWaalsContact O-N 3.08Å; R11-F34 PolarHBondContact O-N 3.01Å; R11-R79 VanDerWaalsContact CZ-CZ 3.46Å
12E81.1Confident64.8Low114 Ų11494.5 Ų94.553%0.53352%0.524SS..EExtended strand (participates in β ladder)trans-94.6128.2175.2-166.5159.2-139.700108.2P31 L32 R33E12-P31 HydrophobicContact CG-CB 3.8Å; E12-P31 WeakPolarHBondContact OE1-CB 3.36Å; E12-L32 CarbonylContact C-O 3.46Å; E12-L32 WeakPolarHBondContact CA-O 3.43Å; E12-R33 IonicContact OE1-NE 2.76Å
13R84.6Confident66.8Low46 Ų4692.8 Ų92.817%0.17453%0.525CS..EExtended strand (participates in β ladder)trans-132.3135.9177.9-65.7-176.7176.7132-0.4109.3F15 L32 F34 F68 E72 D76R13-F15 PolarHBondContact O-N 3.32Å; R13-L32 PolarHBondContact N-O 3.22Å; R13-L32 PolarHBondContact O-N 3Å; R13-F34 HydrophobicContact CB-CD2 4.27Å; R13-F34 HydrophobicContact CB-CE2 4.02Å; R13-F34 HydrophobicContact CG-CD2 4.37Å; R13-F34 HydrophobicContact CG-CE2 4.49Å; R13-F68 HydrophobicContact CB-CZ 4.28Å; R13-E72 WeakPolarHBondContact CD-OE2 3.45Å; R13-E72 IonicContact CZ-OE2 3.18Å; R13-E72 IonicContact NE-OE2 2.63Å; R13-E72 PolarHBondContact NE-OE2 3.01Å; R13-E72 PolarHBondContact NH1-O 3.42Å; R13-E72 IonicContact NH1-OE2 3.07Å; R13-E72 PolarHBondContact NH1-OE2 3.23Å; R13-E72 IonicContact NH2-OE2 2.84Å; R13-D76 IonicContact CZ-OD1 3.44Å; R13-D76 IonicContact CZ-OD2 2.95Å; R13-D76 IonicContact NH1-OD1 3.88Å; R13-D76 IonicContact NH1-OD2 3.96Å; R13-D76 PolarHBondContact NH1-OD2 3.16Å; R13-D76 IonicContact NH2-OD1 3.9Å; R13-D76 PolarHBondContact NH2-OD1 2.74Å; R13-D76 IonicContact NH2-OD2 2.63Å; R13-D76 PolarHBondContact NH2-OD2 2.82Å
14D87.1Confident68.8Low96 Ų9694.5 Ų94.551%0.51352%0.522SS..EExtended strand (participates in β ladder)trans-82.9117.6-178.1-67.3-23.6000110.8T29 P31D14-T29 HydrophobicContact CB-CG2 3.91Å; D14-P31 WeakPolarHBondContact OD1-CA 3.46Å
15F86.9Confident71.2Confident6 Ų692.7 Ų92.73%0.02651%0.512CS..EExtended strand (participates in β ladder)trans-79.1120.8165.4173.3-107.7000109R13 T29 V30 L32 L61 L64 L65 F68R13-F15 PolarHBondContact O-N 3.32Å; F15-T29 CarbonylContact O-C 3.5Å; F15-T29 WeakPolarHBondContact O-CA 3.41Å; F15-V30 PolarHBondContact N-O 3.34Å; F15-V30 PolarHBondContact O-N 2.9Å; F15-L32 HydrophobicContact CB-CD1 3.8Å; F15-L32 HydrophobicContact CB-CG 4.19Å; F15-L32 HydrophobicContact CG-CD1 4.47Å; F15-L61 HydrophobicContact CE1-CD1 3.7Å; F15-L61 HydrophobicContact CZ-CD1 4.09Å; F15-L64 HydrophobicContact CE2-CB 4.41Å; F15-L64 HydrophobicContact CZ-CB 4.32Å; F15-L65 HydrophobicContact CD1-CD1 3.98Å; F15-L65 HydrophobicContact CD2-CD1 4.19Å; F15-L65 HydrophobicContact CE1-CB 4.43Å; F15-L65 HydrophobicContact CE1-CD1 4.09Å; F15-L65 HydrophobicContact CE2-CB 4.35Å; F15-L65 HydrophobicContact CE2-CD1 4.3Å; F15-L65 HydrophobicContact CG-CD1 4.01Å; F15-L65 HydrophobicContact CZ-CB 4.02Å; F15-L65 HydrophobicContact CZ-CD1 4.25Å; F15-F68 HydrophobicContact CB-CD1 3.99Å; F15-F68 HydrophobicContact CB-CE1 3.88Å; F15-F68 HydrophobicContact CD2-CB 3.76Å; F15-F68 AromaticContact CD2-CD1 3.67Å; F15-F68 HydrophobicContact CD2-CD1 3.67Å; F15-F68 HydrophobicContact CD2-CD2 4.35Å; F15-F68 HydrophobicContact CD2-CE1 4.32Å; F15-F68 AromaticContact CD2-CG 3.67Å; F15-F68 HydrophobicContact CD2-CG 3.67Å; F15-F68 HydrophobicContact CE2-CB 3.97Å; F15-F68 HydrophobicContact CE2-CG 4.36Å; F15-F68 HydrophobicContact CG-CD1 4.26Å
16V87.9Confident73.2Confident75 Ų7587.3 Ų87.346%0.45549%0.492SS..EExtended strand (participates in β ladder)trans-113116.9179.7-177.20000109.3K18 V27 L28 T29V16-K18 HydrophobicContact CG1-CG 4.43Å; V16-V27 HydrophobicContact CG1-CG1 3.64Å; V16-L28 CarbonylContact C-O 3.58Å; V16-L28 WeakPolarHBondContact CA-O 3.47Å; V16-T29 HydrophobicContact CG2-CG2 4.14Å
17Y86.8Confident75.6Confident6 Ų688.4 Ų88.42%0.02449%0.486CS..EExtended strand (participates in β ladder)trans-115.5129.2175.5178.1-112.1000110.2F19 V27 L28 I57 D60 L61 L64Y17-F19 AromaticContact CD1-CD1 3.75Å; Y17-F19 HydrophobicContact CD1-CD1 3.75Å; Y17-F19 HydrophobicContact CD1-CE1 4.48Å; Y17-F19 HydrophobicContact CE1-CB 3.74Å; Y17-F19 AromaticContact CE1-CD1 3.56Å; Y17-F19 HydrophobicContact CE1-CD1 3.56Å; Y17-F19 HydrophobicContact CE1-CE1 4.47Å; Y17-F19 AromaticContact CE1-CG 3.92Å; Y17-F19 HydrophobicContact CE1-CG 3.92Å; Y17-V27 CarbonylContact O-C 3.6Å; Y17-V27 WeakPolarHBondContact O-CA 3.43Å; Y17-L28 PolarHBondContact N-O 3.23Å; Y17-L28 PolarHBondContact O-N 3.08Å; Y17-I57 HydrophobicContact CE1-CB 4.21Å; Y17-I57 HydrophobicContact CE1-CD1 3.88Å; Y17-D60 VanDerWaalsContact CE2-OD2 3.25Å; Y17-D60 WeakPolarHBondContact CE2-OD2 3.45Å; Y17-D60 PolarHBondContact OH-OD2 2.88Å; Y17-L61 HydrophobicContact CD1-CD1 3.62Å; Y17-L61 HydrophobicContact CD2-CD1 4.17Å; Y17-L61 HydrophobicContact CE1-CB 4.19Å; Y17-L61 HydrophobicContact CE1-CD1 4.12Å; Y17-L61 HydrophobicContact CG-CD1 3.63Å; Y17-L64 HydrophobicContact CD2-CD1 3.71Å; Y17-L64 HydrophobicContact CE2-CD1 3.57Å
18K85.8Confident77.5Confident151 Ų15179 Ų7966%0.65745%0.446SS*.EExtended strand (participates in β ladder)trans-115.8131.3-179.8-57-171.5178.1177.40109.2V16 L26 V27V16-K18 HydrophobicContact CG1-CG 4.43Å; K18-L26 WeakPolarHBondContact CA-O 3.44Å; K18-V27 HydrophobicContact CD-CG2 4.26Å; K18-V27 HydrophobicContact CG-CB 4.48Å; K18-V27 HydrophobicContact CG-CG1 4.07Å; K18-V27 HydrophobicContact CG-CG2 3.92Å
19F84.3Confident79.2Confident20 Ų2079.4 Ų79.49%0.08844%0.442CS..EExtended strand (participates in β ladder)trans-145.8152.1177.469.8-83.3000111.4Y17 A21 L26 L53 I57Y17-F19 AromaticContact CD1-CD1 3.75Å; Y17-F19 HydrophobicContact CD1-CD1 3.75Å; Y17-F19 HydrophobicContact CD1-CE1 4.48Å; Y17-F19 HydrophobicContact CE1-CB 3.74Å; Y17-F19 AromaticContact CE1-CD1 3.56Å; Y17-F19 HydrophobicContact CE1-CD1 3.56Å; Y17-F19 HydrophobicContact CE1-CE1 4.47Å; Y17-F19 AromaticContact CE1-CG 3.92Å; Y17-F19 HydrophobicContact CE1-CG 3.92Å; F19-A21 HydrophobicContact CE2-CB 4.46Å; F19-L26 HydrophobicContact CD1-CB 4.35Å; F19-L26 HydrophobicContact CE1-CB 3.9Å; F19-L26 HydrophobicContact CE2-CB 4.09Å; F19-L26 HydrophobicContact CE2-CD1 3.72Å; F19-L26 HydrophobicContact CZ-CB 3.76Å; F19-L26 HydrophobicContact CZ-CD1 3.78Å; F19-L26 HydrophobicContact CZ-CG 4.43Å; F19-L26 PolarHBondContact N-O 3.35Å; F19-L26 PolarHBondContact O-N 3.46Å; F19-L26 VanDerWaalsContact O-O 3.12Å; F19-L53 HydrophobicContact CE1-CD2 3.98Å; F19-L53 HydrophobicContact CZ-CD2 3.89Å; F19-I57 HydrophobicContact CB-CG2 3.92Å; F19-I57 HydrophobicContact CD1-CD1 3.92Å; F19-I57 HydrophobicContact CD2-CD1 3.94Å; F19-I57 HydrophobicContact CD2-CG2 3.88Å; F19-I57 HydrophobicContact CE1-CD1 3.89Å; F19-I57 HydrophobicContact CE2-CD1 3.91Å; F19-I57 HydrophobicContact CG-CD1 3.95Å; F19-I57 HydrophobicContact CG-CG2 4.03Å; F19-I57 HydrophobicContact CZ-CD1 3.88Å
20S77.9Confident80.8Confident68 Ų6876 Ų7648%0.47642%0.418SS..EExtended strand (participates in β ladder)trans-107132.4179-49.40000110Q24 D25S20-Q24 WeakPolarHBondContact CA-O 3.45Å; S20-D25 WeakPolarHBondContact CB-OD1 3.39Å; S20-D25 PolarHBondContact OG-OD1 3.1Å
21A74.9Confident81.8Confident35 Ų3574.5 Ų74.529%0.28941%0.41SS..EExtended strand (participates in β ladder)trans-122.497.2174.100000109F19 N23 Q24 L26 F56F19-A21 HydrophobicContact CE2-CB 4.46Å; A21-N23 PolarHBondContact O-N 3.16Å; A21-Q24 PolarHBondContact N-O 3.44Å; A21-Q24 PolarHBondContact O-N 2.97Å; A21-L26 HydrophobicContact CB-CD1 4.31Å; A21-F56 HydrophobicContact CB-CZ 4.28Å
22G75.2Confident82.3Confident75 Ų7569.9 Ų69.977%0.77339%0.393SS*.THydrogen-bonded Turntrans68.8-122-172.800000111.8
23N70.8Confident82.4Confident176 Ų17672.8 Ų72.894%0.94140%0.4SS*.THydrogen-bonded Turntrans-9310.5178.9-71.40.7000113.6A21A21-N23 PolarHBondContact O-N 3.16Å
24Q72.9Confident82.3Confident134 Ų13470.8 Ų70.863%0.62639%0.392SS*.EExtended strand (participates in β ladder)trans-116.1129.1-177.3-65-177-5.900110.9S20 A21S20-Q24 WeakPolarHBondContact CA-O 3.45Å; A21-Q24 PolarHBondContact N-O 3.44Å; A21-Q24 PolarHBondContact O-N 2.97Å
25D80.6Confident81.9Confident132 Ų13269.6 Ų69.671%0.70639%0.389SS*.EExtended strand (participates in β ladder)trans-94.4119.4170.4-70.6-27.4000109.5S20S20-D25 WeakPolarHBondContact CB-OD1 3.39Å; S20-D25 PolarHBondContact OG-OD1 3.1Å
26L81.2Confident81.5Confident71 Ų7171 Ų7137%0.37240%0.399SS..EExtended strand (participates in β ladder)trans-113.1143-177-65.3166000110K18 F19 A21K18-L26 WeakPolarHBondContact CA-O 3.44Å; F19-L26 HydrophobicContact CD1-CB 4.35Å; F19-L26 HydrophobicContact CE1-CB 3.9Å; F19-L26 HydrophobicContact CE2-CB 4.09Å; F19-L26 HydrophobicContact CE2-CD1 3.72Å; F19-L26 HydrophobicContact CZ-CB 3.76Å; F19-L26 HydrophobicContact CZ-CD1 3.78Å; F19-L26 HydrophobicContact CZ-CG 4.43Å; F19-L26 PolarHBondContact N-O 3.35Å; F19-L26 PolarHBondContact O-N 3.46Å; F19-L26 VanDerWaalsContact O-O 3.12Å; A21-L26 HydrophobicContact CB-CD1 4.31Å
27V85.4Confident80.9Confident85 Ų8576.1 Ų76.152%0.51542%0.417SS..EExtended strand (participates in β ladder)trans-124.7122.2179.1-175.30000109.2V16 Y17 K18V16-V27 HydrophobicContact CG1-CG1 3.64Å; Y17-V27 CarbonylContact O-C 3.6Å; Y17-V27 WeakPolarHBondContact O-CA 3.43Å; K18-V27 HydrophobicContact CD-CG2 4.26Å; K18-V27 HydrophobicContact CG-CB 4.48Å; K18-V27 HydrophobicContact CG-CG1 4.07Å; K18-V27 HydrophobicContact CG-CG2 3.92Å
28L83.8Confident80.4Confident12 Ų1280.1 Ų80.16%0.06344%0.437CS..EExtended strand (participates in β ladder)trans-98.9118.5172.7175.469.1000108.7V16 Y17 V30 H51 L53 L61V16-L28 CarbonylContact C-O 3.58Å; V16-L28 WeakPolarHBondContact CA-O 3.47Å; Y17-L28 PolarHBondContact N-O 3.23Å; Y17-L28 PolarHBondContact O-N 3.08Å; L28-V30 HydrophobicContact CD1-CG2 3.92Å; L28-V30 HydrophobicContact CD2-CG2 4.17Å; L28-V30 HydrophobicContact CG-CG2 3.83Å; L28-H51 HydrophobicContact CD1-CB 4.21Å; L28-L53 HydrophobicContact CD2-CD1 3.77Å; L28-L61 HydrophobicContact CD2-CD1 4.15Å
29T85.6Confident80.2Confident73 Ų7377.1 Ų77.145%0.44843%0.427SS..EExtended strand (participates in β ladder)trans-114.9122.3173.9-570000109.3D14 F15 V16D14-T29 HydrophobicContact CB-CG2 3.91Å; F15-T29 CarbonylContact O-C 3.5Å; F15-T29 WeakPolarHBondContact O-CA 3.41Å; V16-T29 HydrophobicContact CG2-CG2 4.14Å
30V84.9Confident80Confident13 Ų1378.2 Ų78.28%0.07943%0.434CS..EExtended strand (participates in β ladder)trans-128.2119-175.81790000109.5F15 L28 L32 L47F15-V30 PolarHBondContact N-O 3.34Å; F15-V30 PolarHBondContact O-N 2.9Å; L28-V30 HydrophobicContact CD1-CG2 3.92Å; L28-V30 HydrophobicContact CD2-CG2 4.17Å; L28-V30 HydrophobicContact CG-CG2 3.83Å; V30-L32 HydrophobicContact CG1-CD2 3.95Å; V30-L32 HydrophobicContact CG1-CG 4.49Å; V30-L32 PolarHBondContact O-N 3.39Å; V30-L47 HydrophobicContact CB-CD2 4.33Å; V30-L47 HydrophobicContact CG1-CD1 4.4Å; V30-L47 HydrophobicContact CG1-CD2 3.71Å; V30-L47 HydrophobicContact CG2-CD1 4.24Å; V30-L47 HydrophobicContact CG2-CD2 3.66Å
31P84.7Confident80.2Confident70 Ų7078.7 Ų78.746%0.45543%0.431SS..EExtended strand (participates in β ladder)trans-72.7126.8173.428.5-32.7000110.9E12 D14E12-P31 HydrophobicContact CG-CB 3.8Å; E12-P31 WeakPolarHBondContact OE1-CB 3.36Å; D14-P31 WeakPolarHBondContact OD1-CA 3.46Å
32L85.3Confident80.6Confident10 Ų1083.6 Ų83.65%0.05245%0.448CS..EExtended strand (participates in β ladder)trans-115.9135.1177.4-62.3-179.2000110.8E12 R13 F15 V30 F34 L43 L65 F68 I69E12-L32 CarbonylContact C-O 3.46Å; E12-L32 WeakPolarHBondContact CA-O 3.43Å; R13-L32 PolarHBondContact N-O 3.22Å; R13-L32 PolarHBondContact O-N 3Å; F15-L32 HydrophobicContact CB-CD1 3.8Å; F15-L32 HydrophobicContact CB-CG 4.19Å; F15-L32 HydrophobicContact CG-CD1 4.47Å; V30-L32 HydrophobicContact CG1-CD2 3.95Å; V30-L32 HydrophobicContact CG1-CG 4.49Å; V30-L32 PolarHBondContact O-N 3.39Å; L32-F34 HydrophobicContact CB-CE2 3.94Å; L32-L43 HydrophobicContact CD2-CD1 4.29Å; L32-L43 HydrophobicContact CD2-CD2 3.82Å; L32-L65 HydrophobicContact CD1-CD1 3.76Å; L32-F68 HydrophobicContact CD1-CD1 4.13Å; L32-F68 HydrophobicContact CD1-CE1 4.15Å; L32-I69 HydrophobicContact CD1-CD1 4.42Å; L32-I69 HydrophobicContact CD1-CG1 4.17Å
33R83.8Confident81Confident175 Ų17580.3 Ų80.366%0.6641%0.412SS*.EExtended strand (participates in β ladder)trans-95125176.2-65.7-177.8-178.9177.30.2110.4E12 P35E12-R33 IonicContact OE1-NE 2.76Å; R33-P35 CarbonylContact O-C 3.58Å
34F82.8Confident81.7Confident3 Ų372.3 Ų72.31%0.01337%0.37CS..EExtended strand (participates in β ladder)trans-99.8143.2178.2-74.3-97.2000111.8T10 R11 R13 L32 V36 F68 I69 E72T10-F34 WeakPolarHBondContact CA-O 3.47Å; R11-F34 PolarHBondContact O-N 3.01Å; R13-F34 HydrophobicContact CB-CD2 4.27Å; R13-F34 HydrophobicContact CB-CE2 4.02Å; R13-F34 HydrophobicContact CG-CD2 4.37Å; R13-F34 HydrophobicContact CG-CE2 4.49Å; L32-F34 HydrophobicContact CB-CE2 3.94Å; F34-V36 HydrophobicContact CD1-CG2 4.11Å; F34-V36 HydrophobicContact CE1-CG2 3.97Å; F34-V36 HydrophobicContact CG-CG2 4.47Å; F34-V36 HydrophobicContact CZ-CG2 4.2Å; F34-F68 HydrophobicContact CE2-CE1 4.14Å; F34-F68 HydrophobicContact CZ-CD1 4.32Å; F34-F68 HydrophobicContact CZ-CE1 4.03Å; F34-I69 HydrophobicContact CE1-CB 4.49Å; F34-I69 HydrophobicContact CE1-CG2 4.24Å; F34-I69 HydrophobicContact CZ-CG1 4.42Å; F34-E72 HydrophobicContact CD1-CB 4.3Å; F34-E72 HydrophobicContact CE1-CB 3.59Å; F34-E72 HydrophobicContact CE2-CB 4.32Å; F34-E72 HydrophobicContact CZ-CB 3.61Å; F34-E72 HydrophobicContact CZ-CG 4.28Å
35P78.6Confident82.1Confident71 Ų7167.2 Ų67.246%0.46135%0.352SS..SBendcis-69.9140.1-5.329.7-34.4000111.4R33 Q37R33-P35 CarbonylContact O-C 3.58Å; P35-Q37 PolarHBondContact O-N 3.28Å
36V79.2Confident82.2Confident37 Ų3766.1 Ų66.122%0.22434%0.339CS..  trans-69.3107.8-179.9-178.90000108.7F34 L43 I69F34-V36 HydrophobicContact CD1-CG2 4.11Å; F34-V36 HydrophobicContact CE1-CG2 3.97Å; F34-V36 HydrophobicContact CG-CG2 4.47Å; F34-V36 HydrophobicContact CZ-CG2 4.2Å; V36-L43 HydrophobicContact CG1-CD2 4.4Å; V36-I69 HydrophobicContact CB-CG2 4.17Å; V36-I69 HydrophobicContact CG1-CD1 4.37Å; V36-I69 HydrophobicContact CG2-CD1 4.27Å; V36-I69 HydrophobicContact CG2-CG1 4.15Å; V36-I69 HydrophobicContact CG2-CG2 3.95Å
37Q74.6Confident82.4Confident181 Ų18163 Ų6385%0.84632%0.322SS*.  trans-85.7-13.5-178.4-64.3-172.9-1100113.4P35P35-Q37 PolarHBondContact O-N 3.28Å
38E76.2Confident82.2Confident91 Ų9160.4 Ų60.443%0.42531%0.305SS..SBendtrans-87.9150.6-178.1-65.1-175.2160.900111.8I40 R46E38-I40 PolarHBondContact O-N 3.19Å; E38-R46 IonicContact OE1-CZ 3.56Å; E38-R46 IonicContact OE1-NH1 3.78Å; E38-R46 PolarHBondContact OE1-NH1 3.42Å; E38-R46 IonicContact OE1-NH2 3.65Å; E38-R46 IonicContact OE2-CZ 3.18Å; E38-R46 VanDerWaalsContact OE2-CZ 3.29Å; E38-R46 IonicContact OE2-NH1 3.29Å; E38-R46 PolarHBondContact OE2-NH1 2.84Å; E38-R46 IonicContact OE2-NH2 2.81Å; E38-R46 PolarHBondContact OE2-NH2 2.9Å
39N80.8Confident82.2Confident87 Ų8766.2 Ų66.247%0.46534%0.336SS..  trans-63.6126.1172.6-173.1-38.3000109.9N41 H42 L43N39-N41 PolarHBondContact O-N 3.02Å; N39-N41 VanDerWaalsContact O-N 3.16Å; N39-N41 WeakPolarHBondContact OD1-CB 3.27Å; N39-N41 PolarHBondContact OD1-N 2.93Å; N39-N41 PolarHBondContact OD1-ND2 3.36Å; N39-N41 VanDerWaalsContact OD1-ND2 3.14Å; N39-H42 HydrophobicContact CB-CB 4.38Å; N39-H42 WeakPolarHBondContact O-CB 3.48Å; N39-H42 PolarHBondContact O-N 3.25Å; N39-L43 PolarHBondContact O-N 3.1Å
40I81.3Confident82.1Confident43 Ų4368.5 Ų68.522%0.22134%0.344CS..Hα-helixtrans-59.6-31.9-175-53.9169.9000111.8E38 H42 L43 H44 L65 N66 I69E38-I40 PolarHBondContact O-N 3.19Å; I40-H42 VanDerWaalsContact C-N 3.35Å; I40-H42 PolarHBondContact O-N 3.1Å; I40-L43 PolarHBondContact O-N 3.19Å; I40-H44 WeakPolarHBondContact O-CB 3.48Å; I40-H44 PolarHBondContact O-N 2.87Å; I40-L65 HydrophobicContact CG2-CD2 4.26Å; I40-L65 HydrophobicContact CG2-CG 4.39Å; I40-N66 WeakPolarHBondContact CD1-OD1 3.47Å; I40-N66 VanDerWaalsContact CG2-OD1 3.23Å; I40-N66 WeakPolarHBondContact CG2-OD1 3.46Å; I40-I69 HydrophobicContact CD1-CD1 4.43Å; I40-I69 HydrophobicContact CD1-CG2 4.48Å; I40-I69 HydrophobicContact CG1-CD1 4.14Å; I40-I69 HydrophobicContact CG2-CD1 4.19Å
41N81.1Confident81.9Confident79 Ų7972.4 Ų72.442%0.42236%0.361SS..Hα-helixtrans-67.3-35.4175.7-61.8-65.9000112.4N39 G45 K62N39-N41 PolarHBondContact O-N 3.02Å; N39-N41 VanDerWaalsContact O-N 3.16Å; N39-N41 WeakPolarHBondContact OD1-CB 3.27Å; N39-N41 PolarHBondContact OD1-N 2.93Å; N39-N41 PolarHBondContact OD1-ND2 3.36Å; N39-N41 VanDerWaalsContact OD1-ND2 3.14Å; N41-G45 PolarHBondContact O-N 3.23Å; N41-K62 WeakPolarHBondContact OD1-CE 3.31Å; N41-K62 PolarHBondContact OD1-NZ 3.2Å
42H83.5Confident81.7Confident138 Ų13876.1 Ų76.164%0.63938%0.377SS*.Hα-helixtrans-74.3-39.4177.3-67.3-173.3000111N39 I40 G45 R46N39-H42 HydrophobicContact CB-CB 4.38Å; N39-H42 WeakPolarHBondContact O-CB 3.48Å; N39-H42 PolarHBondContact O-N 3.25Å; I40-H42 VanDerWaalsContact C-N 3.35Å; I40-H42 PolarHBondContact O-N 3.1Å; H42-G45 PolarHBondContact O-N 3.44Å; H42-R46 VanDerWaalsContact O-CB 3.3Å; H42-R46 WeakPolarHBondContact O-CB 3.36Å; H42-R46 PolarHBondContact O-N 3.4Å
43L83.4Confident81.6Confident5 Ų576.6 Ų76.63%0.02638%0.38CS..Hα-helixtrans-61.7-48174.4-179.963.2000110.9L32 V36 N39 I40 R46 L47 L65 I69L32-L43 HydrophobicContact CD2-CD1 4.29Å; L32-L43 HydrophobicContact CD2-CD2 3.82Å; V36-L43 HydrophobicContact CG1-CD2 4.4Å; N39-L43 PolarHBondContact O-N 3.1Å; I40-L43 PolarHBondContact O-N 3.19Å; L43-R46 VanDerWaalsContact CD1-NH2 3.3Å; L43-R46 PolarHBondContact O-N 2.96Å; L43-L47 WeakPolarHBondContact O-CG 3.42Å; L43-L47 PolarHBondContact O-N 3.3Å; L43-L65 HydrophobicContact CD2-CD1 4.46Å; L43-L65 HydrophobicContact CD2-CD2 4.21Å; L43-L65 HydrophobicContact CG-CD2 4.26Å; L43-I69 HydrophobicContact CD2-CD1 4.15Å
44H85.3Confident81.5Confident9 Ų970.4 Ų70.44%0.04236%0.363CS..Hα-helixtrans-56.4-51.4175165.8-101.6000112.3I40 R46 L47 I48 E58 L65I40-H44 WeakPolarHBondContact O-CB 3.48Å; I40-H44 PolarHBondContact O-N 2.87Å; H44-R46 VanDerWaalsContact C-N 3.29Å; H44-R46 PolarHBondContact O-N 3.46Å; H44-L47 PolarHBondContact O-N 2.95Å; H44-I48 WeakPolarHBondContact CE1-CD1 3.33Å; H44-I48 VanDerWaalsContact NE2-CD1 3.35Å; H44-I48 WeakPolarHBondContact NE2-CD1 3.34Å; H44-I48 PolarHBondContact O-N 3.26Å; H44-I48 VanDerWaalsContact O-N 3.12Å; H44-E58 IonicContact CE1-OE1 3.06Å; H44-E58 PolarHBondContact NE2-O 2.93Å; H44-L65 HydrophobicContact CB-CD2 4.17Å
45G81.9Confident81.3Confident26 Ų2675.2 Ų75.227%0.26840%0.395SS..Hα-helixtrans-60.5-37.6176.900000113.1N41 H42 I48 L49N41-G45 PolarHBondContact O-N 3.23Å; H42-G45 PolarHBondContact O-N 3.44Å; G45-I48 PolarHBondContact O-N 3.35Å; G45-L49 WeakPolarHBondContact O-CD1 3.35Å; G45-L49 WeakPolarHBondContact O-CG 3.42Å; G45-L49 PolarHBondContact O-N 2.94Å; G45-L49 VanDerWaalsContact O-N 3.1Å
46R83.4Confident81.3Confident110 Ų11078.1 Ų78.142%0.41540%0.401SS..Hα-helixtrans-65.8-39.3176.2-171.317270.7-158.8-5112E38 H42 L43 H44 L49 L50E38-R46 IonicContact OE1-CZ 3.56Å; E38-R46 IonicContact OE1-NH1 3.78Å; E38-R46 PolarHBondContact OE1-NH1 3.42Å; E38-R46 IonicContact OE1-NH2 3.65Å; E38-R46 IonicContact OE2-CZ 3.18Å; E38-R46 VanDerWaalsContact OE2-CZ 3.29Å; E38-R46 IonicContact OE2-NH1 3.29Å; E38-R46 PolarHBondContact OE2-NH1 2.84Å; E38-R46 IonicContact OE2-NH2 2.81Å; E38-R46 PolarHBondContact OE2-NH2 2.9Å; H42-R46 VanDerWaalsContact O-CB 3.3Å; H42-R46 WeakPolarHBondContact O-CB 3.36Å; H42-R46 PolarHBondContact O-N 3.4Å; L43-R46 VanDerWaalsContact CD1-NH2 3.3Å; L43-R46 PolarHBondContact O-N 2.96Å; H44-R46 VanDerWaalsContact C-N 3.29Å; H44-R46 PolarHBondContact O-N 3.46Å; R46-L49 PolarHBondContact O-N 2.87Å; R46-L50 HydrophobicContact CG-CD1 3.61Å; R46-L50 HydrophobicContact CG-CG 4.12Å; R46-L50 VanDerWaalsContact O-CB 3.29Å; R46-L50 WeakPolarHBondContact O-CB 3.49Å; R46-L50 VanDerWaalsContact O-CG 3.25Å; R46-L50 WeakPolarHBondContact O-CG 3.39Å; R46-L50 PolarHBondContact O-N 3.15Å
47L83.8Confident81.5Confident6 Ų676.7 Ų76.73%0.03139%0.392CS..Hα-helixtrans-65.8-39.3176.7-68179000112.3V30 L43 H44 H51 L65V30-L47 HydrophobicContact CB-CD2 4.33Å; V30-L47 HydrophobicContact CG1-CD1 4.4Å; V30-L47 HydrophobicContact CG1-CD2 3.71Å; V30-L47 HydrophobicContact CG2-CD1 4.24Å; V30-L47 HydrophobicContact CG2-CD2 3.66Å; L43-L47 WeakPolarHBondContact O-CG 3.42Å; L43-L47 PolarHBondContact O-N 3.3Å; H44-L47 PolarHBondContact O-N 2.95Å; L47-H51 WeakPolarHBondContact O-CB 3.47Å; L47-H51 PolarHBondContact O-CD2 3.37Å; L47-H51 PolarHBondContact O-N 3.34Å; L47-L65 HydrophobicContact CD1-CD2 4.13Å
48I83.2Confident81.9Confident30 Ų3072 Ų7215%0.15437%0.37CS..Hα-helixtrans-63.9-46.1176.8-68.3174.2000111.1H44 G45 N52 L53 E58 L61H44-I48 WeakPolarHBondContact CE1-CD1 3.33Å; H44-I48 VanDerWaalsContact NE2-CD1 3.35Å; H44-I48 WeakPolarHBondContact NE2-CD1 3.34Å; H44-I48 PolarHBondContact O-N 3.26Å; H44-I48 VanDerWaalsContact O-N 3.12Å; G45-I48 PolarHBondContact O-N 3.35Å; I48-N52 WeakPolarHBondContact O-CA 3.28Å; I48-N52 PolarHBondContact O-N 3.48Å; I48-N52 VanDerWaalsContact O-N 3.13Å; I48-L53 HydrophobicContact CG1-CD1 4.49Å; I48-L53 PolarHBondContact O-N 2.94Å; I48-L53 VanDerWaalsContact O-N 3.15Å; I48-E58 HydrophobicContact CD1-CB 3.98Å; I48-E58 HydrophobicContact CD1-CG 3.53Å; I48-L61 HydrophobicContact CG1-CD2 4.08Å
49L82.6Confident82.2Confident134 Ų13473.4 Ų73.470%0.70238%0.38SS*.Hα-helixtrans-69-43-178.9-74.7163.5000112.9G45 R46G45-L49 WeakPolarHBondContact O-CD1 3.35Å; G45-L49 WeakPolarHBondContact O-CG 3.42Å; G45-L49 PolarHBondContact O-N 2.94Å; G45-L49 VanDerWaalsContact O-N 3.1Å; R46-L49 PolarHBondContact O-N 2.87Å
50L83.7Confident82.5Confident121 Ų12172.7 Ų72.763%0.63438%0.377SS*.Hα-helixtrans-72.4-32.3-176.7-73.4176000113.1R46R46-L50 HydrophobicContact CG-CD1 3.61Å; R46-L50 HydrophobicContact CG-CG 4.12Å; R46-L50 VanDerWaalsContact O-CB 3.29Å; R46-L50 WeakPolarHBondContact O-CB 3.49Å; R46-L50 VanDerWaalsContact O-CG 3.25Å; R46-L50 WeakPolarHBondContact O-CG 3.39Å; R46-L50 PolarHBondContact O-N 3.15Å
51H81.2Confident82.7Confident94 Ų9470.6 Ų70.644%0.43537%0.366SS..THydrogen-bonded Turntrans-104.27.7-176.9-64-76.4000113.6L28 L47 L53L28-H51 HydrophobicContact CD1-CB 4.21Å; L47-H51 WeakPolarHBondContact O-CB 3.47Å; L47-H51 PolarHBondContact O-CD2 3.37Å; L47-H51 PolarHBondContact O-N 3.34Å; H51-L53 VanDerWaalsContact C-N 3.26Å; H51-L53 HydrophobicContact CB-CD1 4.28Å; H51-L53 HydrophobicContact CB-CD2 3.95Å; H51-L53 HydrophobicContact CB-CG 3.82Å; H51-L53 PolarHBondContact O-N 2.95Å
52N80.4Confident83Confident148 Ų14870.2 Ų70.279%0.79136%0.361SS*.THydrogen-bonded Turntrans47.347.8-178.5-70.8-36.2000112.8I48I48-N52 WeakPolarHBondContact O-CA 3.28Å; I48-N52 PolarHBondContact O-N 3.48Å; I48-N52 VanDerWaalsContact O-N 3.13Å
53L82.9Confident83.1Confident20 Ų2070.2 Ų70.211%0.10536%0.361CS..  trans-76139.9-173.2-65.7178.3000111.7F19 L28 I48 H51 I57 L61F19-L53 HydrophobicContact CE1-CD2 3.98Å; F19-L53 HydrophobicContact CZ-CD2 3.89Å; L28-L53 HydrophobicContact CD2-CD1 3.77Å; I48-L53 HydrophobicContact CG1-CD1 4.49Å; I48-L53 PolarHBondContact O-N 2.94Å; I48-L53 VanDerWaalsContact O-N 3.15Å; H51-L53 VanDerWaalsContact C-N 3.26Å; H51-L53 HydrophobicContact CB-CD1 4.28Å; H51-L53 HydrophobicContact CB-CD2 3.95Å; H51-L53 HydrophobicContact CB-CG 3.82Å; H51-L53 PolarHBondContact O-N 2.95Å; L53-I57 HydrophobicContact CB-CD1 3.82Å; L53-I57 HydrophobicContact CB-CG1 4.4Å; L53-I57 HydrophobicContact CD1-CD1 4.26Å; L53-I57 HydrophobicContact CD2-CD1 4.04Å; L53-I57 HydrophobicContact CG-CD1 4.24Å; L53-L61 HydrophobicContact CD1-CD2 3.66Å
54P80.8Confident83.3Confident46 Ų4673.3 Ų73.330%0.29938%0.377SS..  trans-60.7146.2177.1-25.134.4000113.7F56 I57P54-F56 HydrophobicContact CB-CD1 3.43Å; P54-F56 VanDerWaalsContact CB-CD1 3.43Å; P54-F56 HydrophobicContact CB-CE1 3.18Å; P54-F56 HydrophobicContact CB-CG 4.37Å; P54-F56 HydrophobicContact CB-CZ 3.95Å; P54-F56 HydrophobicContact CG-CD1 4.47Å; P54-F56 HydrophobicContact CG-CE1 3.75Å; P54-F56 HydrophobicContact CG-CZ 4.18Å; P54-F56 PolarHBondContact O-N 2.81Å; P54-I57 WeakPolarHBondContact O-CG1 3.44Å; P54-I57 PolarHBondContact O-N 2.8Å
55C78.8Confident83.4Confident103 Ų10372.9 Ų72.970%0.69638%0.375SS*.G310 helixtrans-64-23.3-178.758.80000114.3I57 E58C55-I57 VanDerWaalsContact C-N 3.29Å; C55-I57 PolarHBondContact O-N 3.25Å; C55-E58 VanDerWaalsContact O-CB 3.25Å; C55-E58 WeakPolarHBondContact O-CB 3.48Å; C55-E58 PolarHBondContact O-N 2.93Å
56F79.9Confident83.7Confident132 Ų13274.1 Ų74.158%0.57938%0.376SS*.G310 helixtrans-71.8-21.4-178.868.4-96.8000113.7A21 P54A21-F56 HydrophobicContact CB-CZ 4.28Å; P54-F56 HydrophobicContact CB-CD1 3.43Å; P54-F56 VanDerWaalsContact CB-CD1 3.43Å; P54-F56 HydrophobicContact CB-CE1 3.18Å; P54-F56 HydrophobicContact CB-CG 4.37Å; P54-F56 HydrophobicContact CB-CZ 3.95Å; P54-F56 HydrophobicContact CG-CD1 4.47Å; P54-F56 HydrophobicContact CG-CE1 3.75Å; P54-F56 HydrophobicContact CG-CZ 4.18Å; P54-F56 PolarHBondContact O-N 2.81Å
57I83.4Confident83.9Confident8 Ų874.5 Ų74.54%0.04138%0.38CS..G310 helixtrans-91.3-5.4176.557.8162.1000113.2Y17 F19 L53 P54 C55 N59 D60 L61Y17-I57 HydrophobicContact CE1-CB 4.21Å; Y17-I57 HydrophobicContact CE1-CD1 3.88Å; F19-I57 HydrophobicContact CB-CG2 3.92Å; F19-I57 HydrophobicContact CD1-CD1 3.92Å; F19-I57 HydrophobicContact CD2-CD1 3.94Å; F19-I57 HydrophobicContact CD2-CG2 3.88Å; F19-I57 HydrophobicContact CE1-CD1 3.89Å; F19-I57 HydrophobicContact CE2-CD1 3.91Å; F19-I57 HydrophobicContact CG-CD1 3.95Å; F19-I57 HydrophobicContact CG-CG2 4.03Å; F19-I57 HydrophobicContact CZ-CD1 3.88Å; L53-I57 HydrophobicContact CB-CD1 3.82Å; L53-I57 HydrophobicContact CB-CG1 4.4Å; L53-I57 HydrophobicContact CD1-CD1 4.26Å; L53-I57 HydrophobicContact CD2-CD1 4.04Å; L53-I57 HydrophobicContact CG-CD1 4.24Å; P54-I57 WeakPolarHBondContact O-CG1 3.44Å; P54-I57 PolarHBondContact O-N 2.8Å; C55-I57 VanDerWaalsContact C-N 3.29Å; C55-I57 PolarHBondContact O-N 3.25Å; I57-N59 PolarHBondContact O-N 2.92Å; I57-D60 PolarHBondContact O-N 2.87Å; I57-L61 WeakPolarHBondContact O-CB 3.29Å; I57-L61 PolarHBondContact O-N 3.35Å
58E82.5Confident84.1Confident81 Ų8176.1 Ų76.138%0.37939%0.387SS..Hα-helixtrans-57.4-47.2-172.1174.8164-16700112.9H44 I48 C55 K62H44-E58 IonicContact CE1-OE1 3.06Å; H44-E58 PolarHBondContact NE2-O 2.93Å; I48-E58 HydrophobicContact CD1-CB 3.98Å; I48-E58 HydrophobicContact CD1-CG 3.53Å; C55-E58 VanDerWaalsContact O-CB 3.25Å; C55-E58 WeakPolarHBondContact O-CB 3.48Å; C55-E58 PolarHBondContact O-N 2.93Å; E58-K62 WeakPolarHBondContact O-CB 3.49Å; E58-K62 PolarHBondContact O-N 3.4Å; E58-K62 VanDerWaalsContact O-N 3.12Å
59N82.6Confident84.3Confident121 Ų12175.2 Ų75.265%0.64738%0.382SS*.Hα-helixtrans-70.3-39.6-178-73.1-33.7000112.4I57 K62 Q63I57-N59 PolarHBondContact O-N 2.92Å; N59-K62 PolarHBondContact O-N 3.35Å; N59-Q63 WeakPolarHBondContact O-CG 3.34Å; N59-Q63 PolarHBondContact O-N 3.47Å; N59-Q63 VanDerWaalsContact O-N 3.11Å
60D86.3Confident84.5Confident72 Ų7274.8 Ų74.839%0.38538%0.377SS..Hα-helixtrans-70.3-45.9-179.2-178.549.4000111.3Y17 I57 K62 Q63 L64Y17-D60 VanDerWaalsContact CE2-OD2 3.25Å; Y17-D60 WeakPolarHBondContact CE2-OD2 3.45Å; Y17-D60 PolarHBondContact OH-OD2 2.88Å; I57-D60 PolarHBondContact O-N 2.87Å; D60-K62 VanDerWaalsContact C-N 3.27Å; D60-K62 PolarHBondContact O-N 2.91Å; D60-Q63 PolarHBondContact O-N 3.43Å; D60-Q63 VanDerWaalsContact O-N 3.17Å; D60-L64 PolarHBondContact O-N 3.48Å
61L85.9Confident84.7Confident0 Ų073 Ų730%037%0.365CS..Hα-helixtrans-55.4-43.3172.3177.665.7000111.5F15 Y17 L28 I48 L53 I57 L65F15-L61 HydrophobicContact CE1-CD1 3.7Å; F15-L61 HydrophobicContact CZ-CD1 4.09Å; Y17-L61 HydrophobicContact CD1-CD1 3.62Å; Y17-L61 HydrophobicContact CD2-CD1 4.17Å; Y17-L61 HydrophobicContact CE1-CB 4.19Å; Y17-L61 HydrophobicContact CE1-CD1 4.12Å; Y17-L61 HydrophobicContact CG-CD1 3.63Å; L28-L61 HydrophobicContact CD2-CD1 4.15Å; I48-L61 HydrophobicContact CG1-CD2 4.08Å; L53-L61 HydrophobicContact CD1-CD2 3.66Å; I57-L61 WeakPolarHBondContact O-CB 3.29Å; I57-L61 PolarHBondContact O-N 3.35Å; L61-L65 WeakPolarHBondContact O-CB 2.9Å; L61-L65 PolarHBondContact O-N 3.43Å
62K86.5Confident85Confident70 Ų7069.7 Ų69.730%0.30435%0.35SS..Hα-helixtrans-62.8-44.6178.4-170.2173.1-179.8171.70112.2N41 E58 N59 D60 N66N41-K62 WeakPolarHBondContact OD1-CE 3.31Å; N41-K62 PolarHBondContact OD1-NZ 3.2Å; E58-K62 WeakPolarHBondContact O-CB 3.49Å; E58-K62 PolarHBondContact O-N 3.4Å; E58-K62 VanDerWaalsContact O-N 3.12Å; N59-K62 PolarHBondContact O-N 3.35Å; D60-K62 VanDerWaalsContact C-N 3.27Å; D60-K62 PolarHBondContact O-N 2.91Å; K62-N66 WeakPolarHBondContact O-CB 3.34Å; K62-N66 PolarHBondContact O-N 3.24Å; K62-N66 PolarHBondContact O-ND2 3.07Å
63Q87.4Confident85.2Confident138 Ų13864.3 Ų64.365%0.64532%0.323SS*.Hα-helixtrans-65.8-46.7-179.4-74.6-178.9-3.600111.2N59 D60 N66 K67N59-Q63 WeakPolarHBondContact O-CG 3.34Å; N59-Q63 PolarHBondContact O-N 3.47Å; N59-Q63 VanDerWaalsContact O-N 3.11Å; D60-Q63 PolarHBondContact O-N 3.43Å; D60-Q63 VanDerWaalsContact O-N 3.17Å; Q63-N66 PolarHBondContact O-N 2.87Å; Q63-K67 WeakPolarHBondContact O-CB 3.41Å; Q63-K67 PolarHBondContact O-N 3.48Å
64L86.9Confident85.4Confident70 Ų7067.3 Ų67.337%0.36634%0.338SS..Hα-helixtrans-68.5-35.4179.9-71.5169.9000112.7F15 Y17 D60 F68F15-L64 HydrophobicContact CE2-CB 4.41Å; F15-L64 HydrophobicContact CZ-CB 4.32Å; Y17-L64 HydrophobicContact CD2-CD1 3.71Å; Y17-L64 HydrophobicContact CE2-CD1 3.57Å; D60-L64 PolarHBondContact O-N 3.48Å; L64-F68 VanDerWaalsContact O-CB 3.29Å; L64-F68 WeakPolarHBondContact O-CB 3.45Å; L64-F68 PolarHBondContact O-N 3.21Å
65L87.2Confident85.7Confident0 Ų070.1 Ų70.10%035%0.345CS..Hα-helixtrans-65-45.4173.7-177.665000111.7F15 L32 I40 L43 H44 L47 L61 F68 I69F15-L65 HydrophobicContact CD1-CD1 3.98Å; F15-L65 HydrophobicContact CD2-CD1 4.19Å; F15-L65 HydrophobicContact CE1-CB 4.43Å; F15-L65 HydrophobicContact CE1-CD1 4.09Å; F15-L65 HydrophobicContact CE2-CB 4.35Å; F15-L65 HydrophobicContact CE2-CD1 4.3Å; F15-L65 HydrophobicContact CG-CD1 4.01Å; F15-L65 HydrophobicContact CZ-CB 4.02Å; F15-L65 HydrophobicContact CZ-CD1 4.25Å; L32-L65 HydrophobicContact CD1-CD1 3.76Å; I40-L65 HydrophobicContact CG2-CD2 4.26Å; I40-L65 HydrophobicContact CG2-CG 4.39Å; L43-L65 HydrophobicContact CD2-CD1 4.46Å; L43-L65 HydrophobicContact CD2-CD2 4.21Å; L43-L65 HydrophobicContact CG-CD2 4.26Å; H44-L65 HydrophobicContact CB-CD2 4.17Å; L47-L65 HydrophobicContact CD1-CD2 4.13Å; L61-L65 WeakPolarHBondContact O-CB 2.9Å; L61-L65 PolarHBondContact O-N 3.43Å; L65-F68 PolarHBondContact O-N 3.42Å; L65-I69 HydrophobicContact CD1-CD1 4Å; L65-I69 HydrophobicContact CD1-CG1 4.42Å; L65-I69 HydrophobicContact CG-CD1 3.98Å; L65-I69 VanDerWaalsContact O-CG1 3.26Å; L65-I69 WeakPolarHBondContact O-CG1 3.38Å; L65-I69 PolarHBondContact O-N 3.4Å
66N87.6Confident85.9Confident53 Ų5366.2 Ų66.228%0.28332%0.318SS..Hα-helixtrans-59.7-49175.5-82.9-63.6000111I40 K62 Q63 F68 I69 E70I40-N66 WeakPolarHBondContact CD1-OD1 3.47Å; I40-N66 VanDerWaalsContact CG2-OD1 3.23Å; I40-N66 WeakPolarHBondContact CG2-OD1 3.46Å; K62-N66 WeakPolarHBondContact O-CB 3.34Å; K62-N66 PolarHBondContact O-N 3.24Å; K62-N66 PolarHBondContact O-ND2 3.07Å; Q63-N66 PolarHBondContact O-N 2.87Å; N66-F68 PolarHBondContact O-N 2.91Å; N66-I69 PolarHBondContact O-N 2.93Å; N66-E70 WeakPolarHBondContact O-CB 3.1Å; N66-E70 PolarHBondContact O-N 2.93Å
67K88.8Confident86.1Confident118 Ų11866.9 Ų66.951%0.51332%0.317SS..Hα-helixtrans-60.4-44.3-179.6-176.4174.4174.4177.90111.9Q63 E70 E71Q63-K67 WeakPolarHBondContact O-CB 3.41Å; Q63-K67 PolarHBondContact O-N 3.48Å; K67-E70 PolarHBondContact O-N 3.5Å; K67-E71 WeakPolarHBondContact CE-OE1 3.34Å; K67-E71 HydrophobicContact CG-CG 4.39Å; K67-E71 IonicContact NZ-OE1 3.21Å; K67-E71 WeakPolarHBondContact O-CB 3.24Å; K67-E71 WeakPolarHBondContact O-CG 3.38Å; K67-E71 PolarHBondContact O-N 3.37Å
68F88.6Confident86.3Confident40 Ų4071.3 Ų71.318%0.17534%0.341CS..Hα-helixtrans-62.5-45.3177.6178.8-103.2000112.2R13 F15 L32 F34 L64 L65 N66 E70 E72R13-F68 HydrophobicContact CB-CZ 4.28Å; F15-F68 HydrophobicContact CB-CD1 3.99Å; F15-F68 HydrophobicContact CB-CE1 3.88Å; F15-F68 HydrophobicContact CD2-CB 3.76Å; F15-F68 AromaticContact CD2-CD1 3.67Å; F15-F68 HydrophobicContact CD2-CD1 3.67Å; F15-F68 HydrophobicContact CD2-CD2 4.35Å; F15-F68 HydrophobicContact CD2-CE1 4.32Å; F15-F68 AromaticContact CD2-CG 3.67Å; F15-F68 HydrophobicContact CD2-CG 3.67Å; F15-F68 HydrophobicContact CE2-CB 3.97Å; F15-F68 HydrophobicContact CE2-CG 4.36Å; F15-F68 HydrophobicContact CG-CD1 4.26Å; L32-F68 HydrophobicContact CD1-CD1 4.13Å; L32-F68 HydrophobicContact CD1-CE1 4.15Å; F34-F68 HydrophobicContact CE2-CE1 4.14Å; F34-F68 HydrophobicContact CZ-CD1 4.32Å; F34-F68 HydrophobicContact CZ-CE1 4.03Å; L64-F68 VanDerWaalsContact O-CB 3.29Å; L64-F68 WeakPolarHBondContact O-CB 3.45Å; L64-F68 PolarHBondContact O-N 3.21Å; L65-F68 PolarHBondContact O-N 3.42Å; N66-F68 PolarHBondContact O-N 2.91Å; F68-E70 VanDerWaalsContact C-N 3.35Å; F68-E70 PolarHBondContact O-N 3.09Å; F68-E72 HydrophobicContact CD2-CG 4.13Å; F68-E72 HydrophobicContact CE1-CG 4.27Å; F68-E72 HydrophobicContact CE2-CG 3.79Å; F68-E72 HydrophobicContact CZ-CG 3.88Å; F68-E72 VanDerWaalsContact O-CB 3.32Å; F68-E72 WeakPolarHBondContact O-CB 3.38Å; F68-E72 WeakPolarHBondContact O-CG 3.46Å; F68-E72 PolarHBondContact O-N 2.73Å
69I87.4Confident86.4Confident10 Ų1070.9 Ų70.95%0.05134%0.336CS..Hα-helixtrans-63.7-43.3178.9-67.6169.6000110.6L32 F34 V36 I40 L43 L65 N66 T73L32-I69 HydrophobicContact CD1-CD1 4.42Å; L32-I69 HydrophobicContact CD1-CG1 4.17Å; F34-I69 HydrophobicContact CE1-CB 4.49Å; F34-I69 HydrophobicContact CE1-CG2 4.24Å; F34-I69 HydrophobicContact CZ-CG1 4.42Å; V36-I69 HydrophobicContact CB-CG2 4.17Å; V36-I69 HydrophobicContact CG1-CD1 4.37Å; V36-I69 HydrophobicContact CG2-CD1 4.27Å; V36-I69 HydrophobicContact CG2-CG1 4.15Å; V36-I69 HydrophobicContact CG2-CG2 3.95Å; I40-I69 HydrophobicContact CD1-CD1 4.43Å; I40-I69 HydrophobicContact CD1-CG2 4.48Å; I40-I69 HydrophobicContact CG1-CD1 4.14Å; I40-I69 HydrophobicContact CG2-CD1 4.19Å; L43-I69 HydrophobicContact CD2-CD1 4.15Å; L65-I69 HydrophobicContact CD1-CD1 4Å; L65-I69 HydrophobicContact CD1-CG1 4.42Å; L65-I69 HydrophobicContact CG-CD1 3.98Å; L65-I69 VanDerWaalsContact O-CG1 3.26Å; L65-I69 WeakPolarHBondContact O-CG1 3.38Å; L65-I69 PolarHBondContact O-N 3.4Å; N66-I69 PolarHBondContact O-N 2.93Å; I69-T73 WeakPolarHBondContact O-CB 3.36Å; I69-T73 PolarHBondContact O-N 3.37Å; I69-T73 PolarHBondContact O-OG1 3.2Å
70E86.8Confident86.5Confident126 Ų12670.1 Ų70.159%0.58933%0.329SS*.Hα-helixtrans-62.6-51.6178.3-174.5173.1-162.700111.6N66 K67 F68 E72 T73 I74N66-E70 WeakPolarHBondContact O-CB 3.1Å; N66-E70 PolarHBondContact O-N 2.93Å; K67-E70 PolarHBondContact O-N 3.5Å; F68-E70 VanDerWaalsContact C-N 3.35Å; F68-E70 PolarHBondContact O-N 3.09Å; E70-E72 PolarHBondContact O-N 3.37Å; E70-T73 PolarHBondContact O-N 3Å; E70-I74 HydrophobicContact CG-CD1 3.9Å; E70-I74 VanDerWaalsContact O-CG1 3.28Å; E70-I74 WeakPolarHBondContact O-CG1 3.5Å; E70-I74 PolarHBondContact O-N 2.83Å
71E87.7Confident86.3Confident83 Ų8369 Ų6939%0.38833%0.329SS..Hα-helixtrans-60.1-45.3179.3-74.6178.2-178.900112.5K67 T73 I74 K75K67-E71 WeakPolarHBondContact CE-OE1 3.34Å; K67-E71 HydrophobicContact CG-CG 4.39Å; K67-E71 IonicContact NZ-OE1 3.21Å; K67-E71 WeakPolarHBondContact O-CB 3.24Å; K67-E71 WeakPolarHBondContact O-CG 3.38Å; K67-E71 PolarHBondContact O-N 3.37Å; E71-T73 VanDerWaalsContact C-N 3.33Å; E71-I74 PolarHBondContact O-N 2.93Å; E71-K75 VanDerWaalsContact O-CG 3.27Å; E71-K75 WeakPolarHBondContact O-CG 3.25Å; E71-K75 PolarHBondContact O-N 3.4Å
72E86.6Confident86.3Confident25 Ų2573.5 Ų73.512%0.11735%0.35CS..Hα-helixtrans-71.5-30-179.1-73.5-54.7127.600112.7R13 F34 F68 E70 K75 D76R13-E72 WeakPolarHBondContact CD-OE2 3.45Å; R13-E72 IonicContact CZ-OE2 3.18Å; R13-E72 IonicContact NE-OE2 2.63Å; R13-E72 PolarHBondContact NE-OE2 3.01Å; R13-E72 PolarHBondContact NH1-O 3.42Å; R13-E72 IonicContact NH1-OE2 3.07Å; R13-E72 PolarHBondContact NH1-OE2 3.23Å; R13-E72 IonicContact NH2-OE2 2.84Å; F34-E72 HydrophobicContact CD1-CB 4.3Å; F34-E72 HydrophobicContact CE1-CB 3.59Å; F34-E72 HydrophobicContact CE2-CB 4.32Å; F34-E72 HydrophobicContact CZ-CB 3.61Å; F34-E72 HydrophobicContact CZ-CG 4.28Å; F68-E72 HydrophobicContact CD2-CG 4.13Å; F68-E72 HydrophobicContact CE1-CG 4.27Å; F68-E72 HydrophobicContact CE2-CG 3.79Å; F68-E72 HydrophobicContact CZ-CG 3.88Å; F68-E72 VanDerWaalsContact O-CB 3.32Å; F68-E72 WeakPolarHBondContact O-CB 3.38Å; F68-E72 WeakPolarHBondContact O-CG 3.46Å; F68-E72 PolarHBondContact O-N 2.73Å; E70-E72 PolarHBondContact O-N 3.37Å; E72-K75 IonicContact OE1-NZ 2.81Å; E72-K75 PolarHBondContact OE1-NZ 2.91Å; E72-D76 PolarHBondContact O-N 3.25Å
73T85.7Confident86.2Confident35 Ų3575.3 Ų75.322%0.21536%0.361CS..Hα-helixtrans-72.1-43.4174.7-640000110.9I69 E70 E71 K75 D76 Y77I69-T73 WeakPolarHBondContact O-CB 3.36Å; I69-T73 PolarHBondContact O-N 3.37Å; I69-T73 PolarHBondContact O-OG1 3.2Å; E70-T73 PolarHBondContact O-N 3Å; E71-T73 VanDerWaalsContact C-N 3.33Å; T73-K75 PolarHBondContact O-N 2.89Å; T73-D76 PolarHBondContact O-N 2.98Å; T73-Y77 HydrophobicContact CG2-CD2 3.8Å; T73-Y77 HydrophobicContact CG2-CE2 3.37Å; T73-Y77 WeakPolarHBondContact O-CD2 3.36Å; T73-Y77 PolarHBondContact O-N 3.39Å
74I85.9Confident85.9Confident83 Ų8371.4 Ų71.443%0.42635%0.353SS..Hα-helixtrans-59.2-46.9173.7-69.7166.1000110.1E70 E71 D76 Y77 D78E70-I74 HydrophobicContact CG-CD1 3.9Å; E70-I74 VanDerWaalsContact O-CG1 3.28Å; E70-I74 WeakPolarHBondContact O-CG1 3.5Å; E70-I74 PolarHBondContact O-N 2.83Å; E71-I74 PolarHBondContact O-N 2.93Å; I74-D76 VanDerWaalsContact C-N 3.27Å; I74-D76 PolarHBondContact O-N 2.92Å; I74-Y77 PolarHBondContact O-N 3.01Å; I74-Y77 VanDerWaalsContact O-N 3.12Å; I74-D78 WeakPolarHBondContact CG2-OD2 3.29Å; I74-D78 PolarHBondContact O-N 3.44Å
75K86.7Confident85.7Confident104 Ų10472.5 Ų72.545%0.45236%0.358SS..Hα-helixtrans-59.2-35.9177.6-74.1172.9-165.4168.20113.4E71 E72 T73 R79E71-K75 VanDerWaalsContact O-CG 3.27Å; E71-K75 WeakPolarHBondContact O-CG 3.25Å; E71-K75 PolarHBondContact O-N 3.4Å; E72-K75 IonicContact OE1-NZ 2.81Å; E72-K75 PolarHBondContact OE1-NZ 2.91Å; T73-K75 PolarHBondContact O-N 2.89Å; K75-R79 WeakPolarHBondContact O-CB 3.22Å; K75-R79 PolarHBondContact O-N 2.92Å
76D84.6Confident85.5Confident22 Ų2276.7 Ų76.712%0.11838%0.378CS..Hα-helixtrans-70.9-41.5176.3-78.8-32.7000111.6R13 E72 T73 I74 R79 E80R13-D76 IonicContact CZ-OD1 3.44Å; R13-D76 IonicContact CZ-OD2 2.95Å; R13-D76 IonicContact NH1-OD1 3.88Å; R13-D76 IonicContact NH1-OD2 3.96Å; R13-D76 PolarHBondContact NH1-OD2 3.16Å; R13-D76 IonicContact NH2-OD1 3.9Å; R13-D76 PolarHBondContact NH2-OD1 2.74Å; R13-D76 IonicContact NH2-OD2 2.63Å; R13-D76 PolarHBondContact NH2-OD2 2.82Å; E72-D76 PolarHBondContact O-N 3.25Å; T73-D76 PolarHBondContact O-N 2.98Å; I74-D76 VanDerWaalsContact C-N 3.27Å; I74-D76 PolarHBondContact O-N 2.92Å; D76-R79 PolarHBondContact O-N 3.48Å; D76-R79 IonicContact OD1-CZ 3.16Å; D76-R79 IonicContact OD1-NH1 2.76Å; D76-R79 PolarHBondContact OD1-NH1 3.03Å; D76-R79 IonicContact OD1-NH2 2.54Å; D76-R79 PolarHBondContact OD1-NH2 3.18Å; D76-E80 WeakPolarHBondContact O-CG 3.36Å; D76-E80 PolarHBondContact O-N 3.15Å
77Y83.5Confident85.2Confident145 Ų14575.2 Ų75.257%0.56937%0.373SS*.Hα-helixtrans-62.6-44.3173.2-73.4-52.7000112.5T73 I74 R79 E80 A81T73-Y77 HydrophobicContact CG2-CD2 3.8Å; T73-Y77 HydrophobicContact CG2-CE2 3.37Å; T73-Y77 WeakPolarHBondContact O-CD2 3.36Å; T73-Y77 PolarHBondContact O-N 3.39Å; I74-Y77 PolarHBondContact O-N 3.01Å; I74-Y77 VanDerWaalsContact O-N 3.12Å; Y77-R79 VanDerWaalsContact C-N 3.32Å; Y77-R79 PolarHBondContact O-N 3.35Å; Y77-E80 PolarHBondContact O-N 3.41Å; Y77-A81 WeakPolarHBondContact O-CB 3.34Å; Y77-A81 PolarHBondContact O-N 2.94Å
78D86.6Confident84.8Confident102 Ų10271.8 Ų71.855%0.54536%0.362SS..Hα-helixtrans-61.6-41.6177.3-71.7-18.4000111.1I74 A81 E82I74-D78 WeakPolarHBondContact CG2-OD2 3.29Å; I74-D78 PolarHBondContact O-N 3.44Å; D78-A81 PolarHBondContact O-N 3.44Å; D78-E82 WeakPolarHBondContact O-CB 3.47Å; D78-E82 PolarHBondContact O-N 3.1Å
79R85.5Confident84.4Confident71 Ų7176.5 Ų76.527%0.26838%0.382SS..Hα-helixtrans-65.6-42.3176.3-171.5-177.267.4-124.2-8.7111.7R11 K75 D76 Y77 A81 M83R11-R79 VanDerWaalsContact CZ-CZ 3.46Å; K75-R79 WeakPolarHBondContact O-CB 3.22Å; K75-R79 PolarHBondContact O-N 2.92Å; D76-R79 PolarHBondContact O-N 3.48Å; D76-R79 IonicContact OD1-CZ 3.16Å; D76-R79 IonicContact OD1-NH1 2.76Å; D76-R79 PolarHBondContact OD1-NH1 3.03Å; D76-R79 IonicContact OD1-NH2 2.54Å; D76-R79 PolarHBondContact OD1-NH2 3.18Å; Y77-R79 VanDerWaalsContact C-N 3.32Å; Y77-R79 PolarHBondContact O-N 3.35Å; R79-A81 VanDerWaalsContact C-N 3.35Å; R79-M83 HydrophobicContact CG-CE 4.36Å; R79-M83 WeakPolarHBondContact O-CB 3.26Å; R79-M83 VanDerWaalsContact O-CG 3.27Å; R79-M83 WeakPolarHBondContact O-CG 3.33Å; R79-M83 PolarHBondContact O-N 3.25Å
80E84.3Confident84.1Confident105 Ų10579.8 Ų79.849%0.49141%0.406SS..Hα-helixtrans-63.5-41.6175.8-75.8-178.7-174.200111.8D76 Y77 M83 A84D76-E80 WeakPolarHBondContact O-CG 3.36Å; D76-E80 PolarHBondContact O-N 3.15Å; Y77-E80 PolarHBondContact O-N 3.41Å; E80-M83 HydrophobicContact CG-CE 4.08Å; E80-M83 PolarHBondContact O-N 3.24Å; E80-A84 WeakPolarHBondContact O-CB 3.5Å; E80-A84 PolarHBondContact O-N 2.94Å
81A82.6Confident83.7Confident48 Ų4876.6 Ų76.640%0.39741%0.407SS..Hα-helixtrans-63-46.9175.100000111.8Y77 D78 R79 M83 A84 L85Y77-A81 WeakPolarHBondContact O-CB 3.34Å; Y77-A81 PolarHBondContact O-N 2.94Å; D78-A81 PolarHBondContact O-N 3.44Å; R79-A81 VanDerWaalsContact C-N 3.35Å; A81-M83 PolarHBondContact O-N 3.46Å; A81-A84 WeakPolarHBondContact O-CB 3.47Å; A81-A84 PolarHBondContact O-N 2.88Å; A81-L85 WeakPolarHBondContact O-CB 3.36Å; A81-L85 WeakPolarHBondContact O-CG 3.39Å; A81-L85 PolarHBondContact O-N 2.93Å
82E86.3Confident83.1Confident95 Ų9581.5 Ų81.544%0.44443%0.427SS..Hα-helixtrans-64.4-40.8178.6-164.363.3-146.300111.4D78 A84 L85 E86D78-E82 WeakPolarHBondContact O-CB 3.47Å; D78-E82 PolarHBondContact O-N 3.1Å; E82-A84 VanDerWaalsContact C-N 3.32Å; E82-A84 PolarHBondContact O-N 3.18Å; E82-L85 PolarHBondContact O-N 3.33Å; E82-E86 WeakPolarHBondContact O-CB 3.48Å; E82-E86 WeakPolarHBondContact O-CG 3.28Å; E82-E86 PolarHBondContact O-N 3.33Å
83M84.2Confident82.5Confident109 Ų10983 Ų8354%0.53744%0.438SS..Hα-helixtrans-61.7-39.7173.6-75.2-172.7-56.900112.2R79 E80 A81 A87R79-M83 HydrophobicContact CG-CE 4.36Å; R79-M83 WeakPolarHBondContact O-CB 3.26Å; R79-M83 VanDerWaalsContact O-CG 3.27Å; R79-M83 WeakPolarHBondContact O-CG 3.33Å; R79-M83 PolarHBondContact O-N 3.25Å; E80-M83 HydrophobicContact CG-CE 4.08Å; E80-M83 PolarHBondContact O-N 3.24Å; A81-M83 PolarHBondContact O-N 3.46Å; M83-A87 WeakPolarHBondContact O-CB 3.47Å; M83-A87 PolarHBondContact O-N 3.42Å
84A80.9Confident82.2Confident56 Ų5684.7 Ų84.746%0.46345%0.446SS..Hα-helixtrans-67.4-42.217600000111.6E80 A81 E82 A87 V88E80-A84 WeakPolarHBondContact O-CB 3.5Å; E80-A84 PolarHBondContact O-N 2.94Å; A81-A84 WeakPolarHBondContact O-CB 3.47Å; A81-A84 PolarHBondContact O-N 2.88Å; E82-A84 VanDerWaalsContact C-N 3.32Å; E82-A84 PolarHBondContact O-N 3.18Å; A84-A87 WeakPolarHBondContact O-CB 3.46Å; A84-A87 PolarHBondContact O-N 3.29Å; A84-V88 WeakPolarHBondContact O-CG2 3.27Å; A84-V88 PolarHBondContact O-N 3.43Å; A84-V88 VanDerWaalsContact O-N 3.09Å
85L82.1Confident81.9Confident92 Ų9285.8 Ų85.848%0.48245%0.451SS..Hα-helixtrans-62.2-44.9175.7-73.3171.1000111.7A81 E82 A87 V88 K89A81-L85 WeakPolarHBondContact O-CB 3.36Å; A81-L85 WeakPolarHBondContact O-CG 3.39Å; A81-L85 PolarHBondContact O-N 2.93Å; E82-L85 PolarHBondContact O-N 3.33Å; L85-A87 VanDerWaalsContact C-N 3.33Å; L85-A87 PolarHBondContact O-N 3.5Å; L85-V88 PolarHBondContact O-N 3.02Å; L85-K89 WeakPolarHBondContact O-CG 3.24Å; L85-K89 PolarHBondContact O-N 3.38Å
86E84.3Confident81.6Confident88 Ų8886 Ų8641%0.41146%0.458SS..Hα-helixtrans-66.1-34.6175.9-74.6-57.113300112.3E82 V88 K89 S90E82-E86 WeakPolarHBondContact O-CB 3.48Å; E82-E86 WeakPolarHBondContact O-CG 3.28Å; E82-E86 PolarHBondContact O-N 3.33Å; E86-V88 VanDerWaalsContact C-N 3.28Å; E86-V88 PolarHBondContact O-N 2.97Å; E86-K89 PolarHBondContact O-N 3.39Å; E86-K89 WeakPolarHBondContact OE1-CD 3.29Å; E86-K89 IonicContact OE1-NZ 2.58Å; E86-K89 PolarHBondContact OE1-NZ 3.22Å; E86-S90 VanDerWaalsContact O-CB 3.25Å; E86-S90 WeakPolarHBondContact O-CB 3.44Å; E86-S90 PolarHBondContact O-N 3.42Å; E86-S90 PolarHBondContact O-OG 2.8Å
87A80.6Confident81.5Confident23 Ų2391 Ų9119%0.1948%0.48CS..Hα-helixtrans-64.3-33.7173.700000112.5M83 A84 L85 S90 K92 V93M83-A87 WeakPolarHBondContact O-CB 3.47Å; M83-A87 PolarHBondContact O-N 3.42Å; A84-A87 WeakPolarHBondContact O-CB 3.46Å; A84-A87 PolarHBondContact O-N 3.29Å; L85-A87 VanDerWaalsContact C-N 3.33Å; L85-A87 PolarHBondContact O-N 3.5Å; A87-S90 PolarHBondContact O-OG 3.34Å; A87-K92 HydrophobicContact CB-CB 4.48Å; A87-K92 WeakPolarHBondContact O-CB 3.3Å; A87-K92 PolarHBondContact O-N 3.33Å; A87-V93 HydrophobicContact CB-CG2 3.99Å; A87-V93 PolarHBondContact O-N 3.35Å; A87-V93 VanDerWaalsContact O-N 3.16Å
88V80.4Confident81.3Confident45 Ų4588.6 Ų88.627%0.27348%0.477SS..Hα-helixtrans-73.5-47.6173.4173.20000111.1A84 L85 E86 S90 G91 V93 I95A84-V88 WeakPolarHBondContact O-CG2 3.27Å; A84-V88 PolarHBondContact O-N 3.43Å; A84-V88 VanDerWaalsContact O-N 3.09Å; L85-V88 PolarHBondContact O-N 3.02Å; E86-V88 VanDerWaalsContact C-N 3.28Å; E86-V88 PolarHBondContact O-N 2.97Å; V88-S90 VanDerWaalsContact C-N 3.31Å; V88-S90 PolarHBondContact O-N 3.07Å; V88-G91 PolarHBondContact O-N 3.37Å; V88-G91 VanDerWaalsContact O-N 3.13Å; V88-V93 HydrophobicContact CG2-CB 4.34Å; V88-I95 HydrophobicContact CG1-CD1 3.96Å; V88-I95 HydrophobicContact CG1-CG1 3.68Å
89K80.3Confident81Confident140 Ų14086.3 Ų86.361%0.60947%0.472SS*.Hα-helixtrans-61.9-36.8179-70.2179-158.8159.70113L85 E86 G91L85-K89 WeakPolarHBondContact O-CG 3.24Å; L85-K89 PolarHBondContact O-N 3.38Å; E86-K89 PolarHBondContact O-N 3.39Å; E86-K89 WeakPolarHBondContact OE1-CD 3.29Å; E86-K89 IonicContact OE1-NZ 2.58Å; E86-K89 PolarHBondContact OE1-NZ 3.22Å; K89-G91 PolarHBondContact O-N 3.43Å
90S81.4Confident80.9Confident78 Ų7888.2 Ų88.255%0.54549%0.487SS..THydrogen-bonded Turntrans-79.5-0.617959.40000114.1E86 A87 V88 K92E86-S90 VanDerWaalsContact O-CB 3.25Å; E86-S90 WeakPolarHBondContact O-CB 3.44Å; E86-S90 PolarHBondContact O-N 3.42Å; E86-S90 PolarHBondContact O-OG 2.8Å; A87-S90 PolarHBondContact O-OG 3.34Å; V88-S90 VanDerWaalsContact C-N 3.31Å; V88-S90 PolarHBondContact O-N 3.07Å; S90-K92 PolarHBondContact O-N 3.1Å
91G77Confident80.9Confident60 Ų6087.6 Ų87.662%0.61949%0.491SS*.THydrogen-bonded Turntrans69.712.3-17900000114.4V88 K89 V93V88-G91 PolarHBondContact O-N 3.37Å; V88-G91 VanDerWaalsContact O-N 3.13Å; K89-G91 PolarHBondContact O-N 3.43Å; G91-V93 PolarHBondContact O-N 3.01Å
92K75.6Confident80.8Confident185 Ų18594.4 Ų94.480%0.80451%0.506SS*.SBendtrans-67.7-26.9173.6-106.2-178.7179.1175.80112.3A87 S90A87-K92 HydrophobicContact CB-CB 4.48Å; A87-K92 WeakPolarHBondContact O-CB 3.3Å; A87-K92 PolarHBondContact O-N 3.33Å; S90-K92 PolarHBondContact O-N 3.1Å
93V74.4Confident80.6Confident57 Ų5792.5 Ų92.535%0.34551%0.507SS..SBendtrans-119.6124.1175.2179.80000107.8A87 V88 G91 I95A87-V93 HydrophobicContact CB-CG2 3.99Å; A87-V93 PolarHBondContact O-N 3.35Å; A87-V93 VanDerWaalsContact O-N 3.16Å; V88-V93 HydrophobicContact CG2-CB 4.34Å; G91-V93 PolarHBondContact O-N 3.01Å; V93-I95 PolarHBondContact O-N 3.11Å
94D79.3Confident80.6Confident71 Ų7193.5 Ų93.538%0.3851%0.509SS..  trans-73.2121.4175.9-176.7-2.1000110N96 Q97 L98D94-N96 PolarHBondContact O-N 2.92Å; D94-N96 PolarHBondContact OD1-N 3.41Å; D94-Q97 HydrophobicContact CB-CB 4.15Å; D94-Q97 HydrophobicContact CB-CG 4.05Å; D94-Q97 PolarHBondContact O-N 2.88Å; D94-L98 PolarHBondContact O-N 3.47Å
95I79.5Confident80.5Confident105 Ų10592.9 Ų92.954%0.53850%0.503SS..Hα-helixtrans-60.2-37.4-179.8-64.7168.9000110.7V88 V93 L98 A99V88-I95 HydrophobicContact CG1-CD1 3.96Å; V88-I95 HydrophobicContact CG1-CG1 3.68Å; V93-I95 PolarHBondContact O-N 3.11Å; I95-L98 PolarHBondContact O-N 3.35Å; I95-A99 WeakPolarHBondContact O-CB 3.33Å; I95-A99 PolarHBondContact O-N 2.89Å
96N79.6Confident80.2Confident109 Ų10995.6 Ų95.658%0.58351%0.508SS*.Hα-helixtrans-69.3-43.1-178.2-65.1-39.2000110.8D94 L98 A99 D100D94-N96 PolarHBondContact O-N 2.92Å; D94-N96 PolarHBondContact OD1-N 3.41Å; N96-L98 VanDerWaalsContact C-N 3.31Å; N96-L98 PolarHBondContact O-N 2.77Å; N96-A99 PolarHBondContact O-N 3.22Å; N96-D100 WeakPolarHBondContact O-CB 3.37Å; N96-D100 VanDerWaalsContact O-CG 3.23Å; N96-D100 PolarHBondContact O-N 2.92Å
97Q82.5Confident79.7Confident127 Ų12798.2 Ų98.259%0.59352%0.518SS*.Hα-helixtrans-64.5-36.9175.2-68.9-179.316.100112.3D94 T101D94-Q97 HydrophobicContact CB-CB 4.15Å; D94-Q97 HydrophobicContact CB-CG 4.05Å; D94-Q97 PolarHBondContact O-N 2.88Å; Q97-T101 VanDerWaalsContact O-CB 3.31Å; Q97-T101 WeakPolarHBondContact O-CB 3.48Å; Q97-T101 PolarHBondContact O-N 2.86Å; Q97-T101 PolarHBondContact O-OG1 3.17Å
98L79.5Confident79.5Confident95 Ų95102.4 Ų102.450%0.49753%0.534SS..Hα-helixtrans-65.5-45.2175.1-167.376.1000110.8D94 I95 N96 T101 W102D94-L98 PolarHBondContact O-N 3.47Å; I95-L98 PolarHBondContact O-N 3.35Å; N96-L98 VanDerWaalsContact C-N 3.31Å; N96-L98 PolarHBondContact O-N 2.77Å; L98-T101 PolarHBondContact O-N 3.36Å; L98-W102 WeakPolarHBondContact O-CB 3.48Å; L98-W102 PolarHBondContact O-N 3.02Å
99A80.6Confident78.9Confident53 Ų53103.8 Ų103.844%0.43854%0.542SS..Hα-helixtrans-61.5-43.7176.300000111.7I95 N96 W102 A103I95-A99 WeakPolarHBondContact O-CB 3.33Å; I95-A99 PolarHBondContact O-N 2.89Å; N96-A99 PolarHBondContact O-N 3.22Å; A99-W102 PolarHBondContact O-N 3.36Å; A99-A103 VanDerWaalsContact O-CB 3.24Å; A99-A103 WeakPolarHBondContact O-CB 3.32Å; A99-A103 PolarHBondContact O-N 3.09Å
100D84Confident77.9Confident111 Ų11199.6 Ų99.659%0.59453%0.529SS*.Hα-helixtrans-64.5-42176.5-72.3-23.3000111.8N96 W102 A103 K104N96-D100 WeakPolarHBondContact O-CB 3.37Å; N96-D100 VanDerWaalsContact O-CG 3.23Å; N96-D100 PolarHBondContact O-N 2.92Å; D100-W102 VanDerWaalsContact C-N 3.32Å; D100-W102 PolarHBondContact O-N 3.5Å; D100-A103 PolarHBondContact O-N 3.41Å; D100-K104 WeakPolarHBondContact O-CB 3.43Å; D100-K104 PolarHBondContact O-N 3.44Å
101T84.6Confident76.9Confident93 Ų93100.7 Ų100.757%0.57153%0.528SS*.Hα-helixtrans-64.6-40.5176.6-56.10000110.8Q97 L98 A105Q97-T101 VanDerWaalsContact O-CB 3.31Å; Q97-T101 WeakPolarHBondContact O-CB 3.48Å; Q97-T101 PolarHBondContact O-N 2.86Å; Q97-T101 PolarHBondContact O-OG1 3.17Å; L98-T101 PolarHBondContact O-N 3.36Å; T101-A105 WeakPolarHBondContact O-CB 3.22Å; T101-A105 PolarHBondContact O-N 3.3Å
102W80.6Confident76Confident190 Ų190104.5 Ų104.572%0.7253%0.53SS*.Hα-helixtrans-70.3-43.5178.4-151.772.9000111.7L98 A99 D100 K104 A105 Y106L98-W102 WeakPolarHBondContact O-CB 3.48Å; L98-W102 PolarHBondContact O-N 3.02Å; A99-W102 PolarHBondContact O-N 3.36Å; D100-W102 VanDerWaalsContact C-N 3.32Å; D100-W102 PolarHBondContact O-N 3.5Å; W102-K104 VanDerWaalsContact C-N 3.32Å; W102-K104 PolarHBondContact O-N 3.5Å; W102-A105 PolarHBondContact O-N 2.93Å; W102-Y106 WeakPolarHBondContact O-CB 3.5Å; W102-Y106 PolarHBondContact O-N 3.44Å
103A80.4Confident75.2Confident56 Ų56104.2 Ų104.246%0.46353%0.525SS..Hα-helixtrans-61.2-41.3174.100000111.4A99 D100 K107A99-A103 VanDerWaalsContact O-CB 3.24Å; A99-A103 WeakPolarHBondContact O-CB 3.32Å; A99-A103 PolarHBondContact O-N 3.09Å; D100-A103 PolarHBondContact O-N 3.41Å; A103-K107 WeakPolarHBondContact O-CB 3.35Å; A103-K107 PolarHBondContact O-N 3.35Å
104K84.4Confident74.2Confident130 Ų130103.7 Ų103.757%0.56553%0.527SS*.Hα-helixtrans-64.3-49.7174.8-177.1175.8176.8178.20111.7D100 W102 Y106 K107 E108D100-K104 WeakPolarHBondContact O-CB 3.43Å; D100-K104 PolarHBondContact O-N 3.44Å; W102-K104 VanDerWaalsContact C-N 3.32Å; W102-K104 PolarHBondContact O-N 3.5Å; K104-Y106 PolarHBondContact O-N 2.99Å; K104-K107 PolarHBondContact O-N 3Å; K104-E108 WeakPolarHBondContact CE-OE1 3.43Å; K104-E108 HydrophobicContact CG-CG 4.42Å; K104-E108 WeakPolarHBondContact CG-OE1 3.48Å; K104-E108 IonicContact NZ-OE1 2.96Å; K104-E108 WeakPolarHBondContact O-CB 3.42Å; K104-E108 WeakPolarHBondContact O-CG 3.19Å; K104-E108 PolarHBondContact O-N 3.17Å
105A80.3Confident72.8Confident42 Ų42109.7 Ų109.735%0.34755%0.549SS..Hα-helixtrans-61.1-44.5177.200000111.3T101 W102 K107 E108 T109T101-A105 WeakPolarHBondContact O-CB 3.22Å; T101-A105 PolarHBondContact O-N 3.3Å; W102-A105 PolarHBondContact O-N 2.93Å; A105-K107 PolarHBondContact O-N 2.96Å; A105-E108 PolarHBondContact O-N 3.12Å; A105-T109 WeakPolarHBondContact O-CB 3.25Å; A105-T109 PolarHBondContact O-N 3.01Å; A105-T109 PolarHBondContact O-OG1 3Å
106Y75.3Confident71.5Confident149 Ų149108.9 Ų108.958%0.58455%0.551SS**Hα-helixtrans-59.5-47.1175.1-178.8-96.4000111.3W102 K104 T109 T110W102-Y106 WeakPolarHBondContact O-CB 3.5Å; W102-Y106 PolarHBondContact O-N 3.44Å; K104-Y106 PolarHBondContact O-N 2.99Å; Y106-T109 PolarHBondContact O-N 2.95Å; Y106-T110 WeakPolarHBondContact O-CB 3.49Å; Y106-T110 PolarHBondContact O-N 3.05Å; Y106-T110 PolarHBondContact O-OG1 3.43Å
107K74.3Confident70Confident144 Ų144112.5 Ų112.563%0.62656%0.564SS**Hα-helixtrans-62-48178.2-172.9173-177174.80111.8A103 K104 A105 L111A103-K107 WeakPolarHBondContact O-CB 3.35Å; A103-K107 PolarHBondContact O-N 3.35Å; K104-K107 PolarHBondContact O-N 3Å; A105-K107 PolarHBondContact O-N 2.96Å; K107-L111 HydrophobicContact CG-CD1 3.79Å; K107-L111 VanDerWaalsContact O-CB 3.25Å; K107-L111 WeakPolarHBondContact O-CB 3.34Å; K107-L111 WeakPolarHBondContact O-CD1 3.3Å; K107-L111 WeakPolarHBondContact O-CG 3.26Å; K107-L111 PolarHBondContact O-N 3.02Å
108E75.4Confident68.2Low111 Ų111115 Ų11552%0.51958%0.576SS.*Hα-helixtrans-63.5-44.4178.9-72.4173.9176.900111.8K104 A105 E112K104-E108 WeakPolarHBondContact CE-OE1 3.43Å; K104-E108 HydrophobicContact CG-CG 4.42Å; K104-E108 WeakPolarHBondContact CG-OE1 3.48Å; K104-E108 IonicContact NZ-OE1 2.96Å; K104-E108 WeakPolarHBondContact O-CB 3.42Å; K104-E108 WeakPolarHBondContact O-CG 3.19Å; K104-E108 PolarHBondContact O-N 3.17Å; A105-E108 PolarHBondContact O-N 3.12Å; E108-E112 WeakPolarHBondContact O-CB 3.25Å; E108-E112 PolarHBondContact O-N 3.46Å; E108-E112 VanDerWaalsContact O-N 3.08Å
109T67.1Low66.8Low73 Ų73115.1 Ų115.145%0.44858%0.581SS.*Hα-helixtrans-72.7-37.9180-35.90000111.5A105 Y106 E112 Y113A105-T109 WeakPolarHBondContact O-CB 3.25Å; A105-T109 PolarHBondContact O-N 3.01Å; A105-T109 PolarHBondContact O-OG1 3Å; Y106-T109 PolarHBondContact O-N 2.95Å; T109-E112 PolarHBondContact O-N 3.38Å; T109-Y113 HydrophobicContact CG2-CD2 4Å; T109-Y113 HydrophobicContact CG2-CE2 4.12Å; T109-Y113 VanDerWaalsContact O-CD2 3.31Å; T109-Y113 WeakPolarHBondContact O-CD2 3.1Å; T109-Y113 PolarHBondContact O-N 3.38Å
110T60.3Low65.7Low53 Ų53115 Ų11533%0.32558%0.576SS.*Hα-helixtrans-68.2-39.2177.1-54.40000110.6Y106 E112 A114Y106-T110 WeakPolarHBondContact O-CB 3.49Å; Y106-T110 PolarHBondContact O-N 3.05Å; Y106-T110 PolarHBondContact O-OG1 3.43Å; T110-E112 VanDerWaalsContact C-N 3.34Å; T110-E112 PolarHBondContact O-N 3.07Å; T110-A114 HydrophobicContact CG2-CB 4.07Å; T110-A114 WeakPolarHBondContact O-CA 3.31Å; T110-A114 WeakPolarHBondContact O-CB 3.28Å; T110-A114 PolarHBondContact O-N 2.9Å
111L59.6Low64.9Low100 Ų100115.5 Ų115.552%0.52457%0.57SS.*Hα-helixtrans-68.3-28.6174.6-72.8166.7000113.6K107K107-L111 HydrophobicContact CG-CD1 3.79Å; K107-L111 VanDerWaalsContact O-CB 3.25Å; K107-L111 WeakPolarHBondContact O-CB 3.34Å; K107-L111 WeakPolarHBondContact O-CD1 3.3Å; K107-L111 WeakPolarHBondContact O-CG 3.26Å; K107-L111 PolarHBondContact O-N 3.02Å
112E58.1Low64.2Low141 Ų141115.4 Ų115.466%0.65957%0.566SS**Hα-helixtrans-77.4-29.8179.4-168177.2-165.200112.7E108 T109 T110E108-E112 WeakPolarHBondContact O-CB 3.25Å; E108-E112 PolarHBondContact O-N 3.46Å; E108-E112 VanDerWaalsContact O-N 3.08Å; T109-E112 PolarHBondContact O-N 3.38Å; T110-E112 VanDerWaalsContact C-N 3.34Å; T110-E112 PolarHBondContact O-N 3.07Å
113Y59Low63.8Low178 Ų178111.8 Ų111.870%0.69856%0.557SS**Hα-helixtrans-118.9-14.3-174.1-64.1-83.7000115.2T109T109-Y113 HydrophobicContact CG2-CD2 4Å; T109-Y113 HydrophobicContact CG2-CE2 4.12Å; T109-Y113 VanDerWaalsContact O-CD2 3.31Å; T109-Y113 WeakPolarHBondContact O-CD2 3.1Å; T109-Y113 PolarHBondContact O-N 3.38Å
114A54.8Low63.9Low47 Ų47113.1 Ų113.139%0.38856%0.557SS.*SBendtrans-104.2138.8169.200000109.1T110T110-A114 HydrophobicContact CG2-CB 4.07Å; T110-A114 WeakPolarHBondContact O-CA 3.31Å; T110-A114 WeakPolarHBondContact O-CB 3.28Å; T110-A114 PolarHBondContact O-N 2.9Å
115K49.8Very low64.2Low197 Ų197107 Ų10786%0.85753%0.53SS*.  trans-58132.7165.1-68.5-176.4176.9-172.60106.9E117K115-E117 PolarHBondContact O-N 2.85Å
116P50.5Low64.7Low87 Ų87105.6 Ų105.657%0.56552%0.518SS*.  trans-49.6131.2166.9-20.630.6000107.6E118P116-E118 PolarHBondContact O-N 3.22Å
117E48.8Very low65.3Low185 Ų185103.7 Ų103.786%0.86452%0.518SS*.  trans-56.7102.3159.6-82.1169.5160.400104.9K115 T119K115-E117 PolarHBondContact O-N 2.85Å; E117-T119 PolarHBondContact O-N 3.31Å
118E45.6Very low66.2Low179 Ų17997.9 Ų97.984%0.83650%0.495SS*.  trans-59114167-71.1176.2-178.700104.3P116 S120P116-E118 PolarHBondContact O-N 3.22Å; E118-S120 PolarHBondContact O-N 3.06Å
119T48.6Very low67.1Low98 Ų9892.8 Ų92.860%0.60147%0.471SS*.  trans-50.8106.8172.242.10000106.3E117 W121E117-T119 PolarHBondContact O-N 3.31Å; T119-W121 PolarHBondContact O-N 2.71Å
120S58.7Low68.3Low50 Ų5092 Ų9235%0.3546%0.462SS..  trans-66.2138.5-179.3-178.40000106.4E118 D122 E123 D124E118-S120 PolarHBondContact O-N 3.06Å; S120-D122 PolarHBondContact O-N 3.4Å; S120-D122 PolarHBondContact OG-N 3.1Å; S120-E123 PolarHBondContact O-N 3.49Å; S120-D124 PolarHBondContact O-N 3.05Å
121W67Low69.8Low123 Ų12393.5 Ų93.547%0.46647%0.468SS..Hα-helixtrans-51.1-28170.6-17883.1000112T119 F125 Q224 I228T119-W121 PolarHBondContact O-N 2.71Å; W121-F125 WeakPolarHBondContact O-CB 3.44Å; W121-F125 PolarHBondContact O-N 3.27Å; W121-Q224 HydrophobicContact CH2-CB 3.45Å; W121-Q224 VanDerWaalsContact CH2-CB 3.45Å; W121-Q224 HydrophobicContact CH2-CG 3.86Å; W121-Q224 HydrophobicContact CZ2-CB 3.88Å; W121-Q224 HydrophobicContact CZ3-CB 4.47Å; W121-Q224 VanDerWaalsContact CZ3-CD 3.42Å; W121-Q224 HydrophobicContact CZ3-CG 4.47Å; W121-Q224 VanDerWaalsContact CZ3-NE2 3.28Å; W121-Q224 VanDerWaalsContact CZ3-OE1 3.28Å; W121-I228 HydrophobicContact CZ2-CD1 4.22Å
122D69.8Low71.3Confident90 Ų9088.9 Ų88.948%0.48144%0.444SS..Hα-helixtrans-67.4-34.6174.6-63.9-27.3000113.8S120 A126S120-D122 PolarHBondContact O-N 3.4Å; S120-D122 PolarHBondContact OG-N 3.1Å; D122-A126 WeakPolarHBondContact O-CB 3.33Å; D122-A126 PolarHBondContact O-N 2.79Å
123E73Confident72.9Confident115 Ų11582.3 Ų82.354%0.53741%0.413SS..Hα-helixtrans-74.8-43.6178.5-70.5-179.8169.400110.6S120 F125 A126 D127S120-E123 PolarHBondContact O-N 3.49Å; E123-F125 VanDerWaalsContact C-N 3.31Å; E123-F125 PolarHBondContact O-N 3.08Å; E123-A126 WeakPolarHBondContact O-CB 3.45Å; E123-A126 PolarHBondContact O-N 2.87Å; E123-D127 PolarHBondContact O-N 2.7Å; E123-D127 VanDerWaalsContact O-N 3.12Å
124D82.3Confident74.3Confident84 Ų8478.2 Ų78.245%0.44940%0.4SS..Hα-helixtrans-59.7-42.9173.9-71.3-24.6000110.9S120 V128S120-D124 PolarHBondContact O-N 3.05Å; D124-V128 WeakPolarHBondContact O-CB 3.27Å; D124-V128 WeakPolarHBondContact O-CG2 3.37Å; D124-V128 PolarHBondContact O-N 3.19Å
125F89.6Confident75.9Confident2 Ų277.4 Ų77.41%0.00939%0.392CS..Hα-helixtrans-64.4-40.6176.2173.7-106.4000112.5W121 E123 V128 Y129 Y223 Q224 V227 I228 H356W121-F125 WeakPolarHBondContact O-CB 3.44Å; W121-F125 PolarHBondContact O-N 3.27Å; E123-F125 VanDerWaalsContact C-N 3.31Å; E123-F125 PolarHBondContact O-N 3.08Å; F125-V128 PolarHBondContact O-N 3.33Å; F125-Y129 WeakPolarHBondContact O-CB 3.47Å; F125-Y129 PolarHBondContact O-N 2.88Å; F125-Y223 HydrophobicContact CZ-CD1 4.36Å; F125-Y223 HydrophobicContact CZ-CE1 4.31Å; F125-Q224 HydrophobicContact CD2-CB 4.13Å; F125-Q224 HydrophobicContact CD2-CG 4.1Å; F125-Q224 HydrophobicContact CE1-CG 4.11Å; F125-Q224 HydrophobicContact CE2-CB 3.93Å; F125-Q224 HydrophobicContact CE2-CG 3.69Å; F125-Q224 HydrophobicContact CZ-CB 4.45Å; F125-Q224 HydrophobicContact CZ-CG 3.7Å; F125-V227 HydrophobicContact CD2-CG1 4.26Å; F125-V227 HydrophobicContact CE2-CB 3.84Å; F125-V227 HydrophobicContact CE2-CG1 3.69Å; F125-V227 HydrophobicContact CE2-CG2 4.14Å; F125-I228 HydrophobicContact CD2-CG1 4.49Å; F125-H356 AromaticContact CE1-CE1 3.53Å; F125-H356 AromaticContact CE1-ND1 3.42Å; F125-H356 WeakPolarHBondContact CE1-ND1 3.4Å; F125-H356 AromaticContact CZ-CE1 3.84Å
126A90.6Very high77.6Confident11 Ų1172.4 Ų72.49%0.09138%0.379CS..Hα-helixtrans-60.6-47.6179.800000112.2D122 E123 Y129 H130 Y320D122-A126 WeakPolarHBondContact O-CB 3.33Å; D122-A126 PolarHBondContact O-N 2.79Å; E123-A126 WeakPolarHBondContact O-CB 3.45Å; E123-A126 PolarHBondContact O-N 2.87Å; A126-Y129 PolarHBondContact O-N 3.44Å; A126-H130 WeakPolarHBondContact O-CB 3.41Å; A126-H130 PolarHBondContact O-N 3.19Å; A126-Y320 HydrophobicContact CB-CD1 3.84Å; A126-Y320 HydrophobicContact CB-CD2 4.3Å; A126-Y320 HydrophobicContact CB-CE1 3.39Å; A126-Y320 HydrophobicContact CB-CE2 3.9Å; A126-Y320 HydrophobicContact CB-CG 4.27Å; A126-Y320 VanDerWaalsContact CB-CZ 3.4Å
127D88.9Confident79.3Confident110 Ų11068.3 Ų68.359%0.58835%0.353SS*.Hα-helixtrans-63.4-43.3178.3-74.8-15.6000111.3E123 H130 D131E123-D127 PolarHBondContact O-N 2.7Å; E123-D127 VanDerWaalsContact O-N 3.12Å; D127-H130 PolarHBondContact O-N 2.94Å; D127-D131 PolarHBondContact O-N 3.42Å
128V92.1Very high81.1Confident22 Ų2260.7 Ų60.713%0.13332%0.32CS..Hα-helixtrans-61.7-46177.3172.70000111.6D124 F125 L132 V227 H231D124-V128 WeakPolarHBondContact O-CB 3.27Å; D124-V128 WeakPolarHBondContact O-CG2 3.37Å; D124-V128 PolarHBondContact O-N 3.19Å; F125-V128 PolarHBondContact O-N 3.33Å; V128-L132 HydrophobicContact CG1-CD1 4.23Å; V128-L132 WeakPolarHBondContact O-CG 3.38Å; V128-L132 PolarHBondContact O-N 2.97Å; V128-L132 VanDerWaalsContact O-N 3.15Å; V128-V227 HydrophobicContact CG1-CG1 3.96Å; V128-H231 HydrophobicContact CG1-CB 3.44Å; V128-H231 VanDerWaalsContact CG1-CB 3.44Å
129Y93.9Very high82.9Confident3 Ų356.8 Ų56.81%0.01230%0.301CS..Hα-helixtrans-63.6-44.3177.8179.7-91.9000111.6F125 A126 D131 L132 I133 L141 E145 Y223 L319 Y320 H356F125-Y129 WeakPolarHBondContact O-CB 3.47Å; F125-Y129 PolarHBondContact O-N 2.88Å; A126-Y129 PolarHBondContact O-N 3.44Å; Y129-D131 PolarHBondContact O-N 3.2Å; Y129-L132 PolarHBondContact O-N 3.09Å; Y129-I133 HydrophobicContact CD1-CB 4.42Å; Y129-I133 HydrophobicContact CD1-CG2 4.27Å; Y129-I133 HydrophobicContact CE1-CB 4.06Å; Y129-I133 HydrophobicContact CE1-CG1 4.29Å; Y129-I133 HydrophobicContact CE1-CG2 4.1Å; Y129-I133 WeakPolarHBondContact O-CG2 3.3Å; Y129-I133 PolarHBondContact O-N 3.42Å; Y129-L141 HydrophobicContact CD2-CD2 4.41Å; Y129-L141 HydrophobicContact CE2-CD2 4.35Å; Y129-E145 PolarHBondContact OH-OE1 3.38Å; Y129-Y223 HydrophobicContact CE2-CE1 4.31Å; Y129-Y223 WeakPolarHBondContact CE2-OH 3.35Å; Y129-L319 HydrophobicContact CE1-CD2 4.14Å; Y129-Y320 AromaticContact CD1-CD2 3.96Å; Y129-Y320 HydrophobicContact CD1-CD2 3.96Å; Y129-Y320 AromaticContact CD1-CE2 3.87Å; Y129-Y320 HydrophobicContact CD1-CE2 3.87Å; Y129-Y320 HydrophobicContact CG-CE2 4.39Å; Y129-H356 AromaticContact CD1-CE1 3.61Å; Y129-H356 AromaticContact CD2-CE1 3.52Å; Y129-H356 AromaticContact CD2-NE2 3.87Å; Y129-H356 AromaticContact CE1-CE1 3.79Å; Y129-H356 AromaticContact CE2-CE1 3.69Å; Y129-H356 AromaticContact CE2-NE2 3.62Å; Y129-H356 AromaticContact CG-CE1 3.46Å; Y129-H356 VanDerWaalsContact CG-CE1 3.46Å; Y129-H356 AromaticContact CZ-CE1 3.81Å; Y129-H356 AromaticContact CZ-NE2 3.73Å
130H93.4Very high84.7Confident57 Ų5754 Ų5426%0.26429%0.285SS..Hα-helixtrans-59.3-46.2179.5-174.464.3000111.4A126 D127 L132 I133 H134 Y320A126-H130 WeakPolarHBondContact O-CB 3.41Å; A126-H130 PolarHBondContact O-N 3.19Å; D127-H130 PolarHBondContact O-N 2.94Å; H130-L132 VanDerWaalsContact C-N 3.32Å; H130-L132 PolarHBondContact O-N 2.93Å; H130-I133 WeakPolarHBondContact O-CG2 3.44Å; H130-H134 AromaticContact CE1-CD2 3.29Å; H130-H134 PolarHBondContact CE1-CD2 3.32Å; H130-H134 AromaticContact CE1-NE2 3.01Å; H130-H134 PolarHBondContact CE1-NE2 2.91Å; H130-H134 AromaticContact ND1-CD2 3.47Å; H130-H134 PolarHBondContact ND1-CD2 3.41Å; H130-H134 AromaticContact ND1-NE2 3.35Å; H130-H134 PolarHBondContact ND1-NE2 3.42Å; H130-H134 AromaticContact NE2-CD2 3.73Å; H130-H134 AromaticContact NE2-NE2 3.84Å; H130-H134 PolarHBondContact O-CD2 3.09Å; H130-H134 PolarHBondContact O-N 3.48Å; H130-Y320 HydrophobicContact CB-CD2 4.45Å
131D91.1Very high86.2Confident84 Ų8451.6 Ų51.645%0.44927%0.268SS..Hα-helixtrans-57.7-45.3174.8-79.4-10.7000111.8D127 Y129 S135 H231D127-D131 PolarHBondContact O-N 3.42Å; Y129-D131 PolarHBondContact O-N 3.2Å; D131-S135 PolarHBondContact O-N 3.28Å; D131-H231 IonicContact OD2-CE1 3.2Å; D131-H231 PolarHBondContact OD2-CE1 3.37Å; D131-H231 VanDerWaalsContact OD2-CE1 3.28Å; D131-H231 IonicContact OD2-NE2 3.61Å
132L91.6Very high87.2Confident4 Ų446.8 Ų46.82%0.02125%0.251CS..Hα-helixtrans-73.4-39.3-175.5-71.9179.4000113.6V128 Y129 H130 H134 S135 A137 L141 V227 L230 H231 L234V128-L132 HydrophobicContact CG1-CD1 4.23Å; V128-L132 WeakPolarHBondContact O-CG 3.38Å; V128-L132 PolarHBondContact O-N 2.97Å; V128-L132 VanDerWaalsContact O-N 3.15Å; Y129-L132 PolarHBondContact O-N 3.09Å; H130-L132 VanDerWaalsContact C-N 3.32Å; H130-L132 PolarHBondContact O-N 2.93Å; L132-H134 PolarHBondContact O-N 3.24Å; L132-S135 WeakPolarHBondContact O-CA 3.43Å; L132-S135 WeakPolarHBondContact O-CB 3.4Å; L132-S135 PolarHBondContact O-N 3.42Å; L132-S135 PolarHBondContact O-OG 3.35Å; L132-A137 HydrophobicContact CD2-CB 4.34Å; L132-L141 HydrophobicContact CB-CD1 3.74Å; L132-V227 HydrophobicContact CD1-CG1 3.94Å; L132-V227 WeakPolarHBondContact CD1-O 3.3Å; L132-L230 HydrophobicContact CD1-CB 4.37Å; L132-L230 HydrophobicContact CD1-CD2 4.3Å; L132-L230 HydrophobicContact CD1-CG 4.32Å; L132-L230 HydrophobicContact CD2-CG 4.48Å; L132-H231 HydrophobicContact CD1-CB 3.93Å; L132-H231 HydrophobicContact CD2-CB 4.28Å; L132-H231 HydrophobicContact CG-CB 4.19Å; L132-L234 HydrophobicContact CD2-CD1 3.54Å
133I91.4Very high88Confident2 Ų245.1 Ų45.11%0.0124%0.242CC..Hα-helixtrans-69-22.2179.8-162.164.4000112.1Y129 H130 S135 S138 L141 L142 L313 A316 M317Y129-I133 HydrophobicContact CD1-CB 4.42Å; Y129-I133 HydrophobicContact CD1-CG2 4.27Å; Y129-I133 HydrophobicContact CE1-CB 4.06Å; Y129-I133 HydrophobicContact CE1-CG1 4.29Å; Y129-I133 HydrophobicContact CE1-CG2 4.1Å; Y129-I133 WeakPolarHBondContact O-CG2 3.3Å; Y129-I133 PolarHBondContact O-N 3.42Å; H130-I133 WeakPolarHBondContact O-CG2 3.44Å; I133-S135 VanDerWaalsContact C-N 3.33Å; I133-S138 VanDerWaalsContact O-CB 3.27Å; I133-S138 WeakPolarHBondContact O-CB 3.47Å; I133-L141 HydrophobicContact CB-CD1 4.31Å; I133-L141 HydrophobicContact CD1-CB 4.46Å; I133-L141 HydrophobicContact CD1-CD1 4.09Å; I133-L142 HydrophobicContact CD1-CD2 4.45Å; I133-L142 HydrophobicContact CD1-CG 4.29Å; I133-L313 HydrophobicContact CD1-CD1 4.45Å; I133-A316 HydrophobicContact CD1-CB 3.99Å; I133-A316 HydrophobicContact CG1-CB 4.05Å; I133-M317 HydrophobicContact CG1-CG 4.04Å
134H89.3Confident88.8Confident93 Ų9341.4 Ų41.443%0.43123%0.226SC..THydrogen-bonded Turntrans-88.91.1170.8-69.8-62000113.7H130 L132 M317H130-H134 AromaticContact CE1-CD2 3.29Å; H130-H134 PolarHBondContact CE1-CD2 3.32Å; H130-H134 AromaticContact CE1-NE2 3.01Å; H130-H134 PolarHBondContact CE1-NE2 2.91Å; H130-H134 AromaticContact ND1-CD2 3.47Å; H130-H134 PolarHBondContact ND1-CD2 3.41Å; H130-H134 AromaticContact ND1-NE2 3.35Å; H130-H134 PolarHBondContact ND1-NE2 3.42Å; H130-H134 AromaticContact NE2-CD2 3.73Å; H130-H134 AromaticContact NE2-NE2 3.84Å; H130-H134 PolarHBondContact O-CD2 3.09Å; H130-H134 PolarHBondContact O-N 3.48Å; L132-H134 PolarHBondContact O-N 3.24Å; H134-M317 PolarHBondContact CE1-O 3.08Å; H134-M317 VanDerWaalsContact ND1-CE 3.27Å; H134-M317 WeakPolarHBondContact ND1-CE 3.34Å; H134-M317 PolarHBondContact NE2-O 3.21Å
135S88.6Confident89.2Confident30 Ų3037.8 Ų37.821%0.2121%0.206CC..SBendtrans-102.5173.917887.10000112D131 L132 I133 A137 S138D131-S135 PolarHBondContact O-N 3.28Å; L132-S135 WeakPolarHBondContact O-CA 3.43Å; L132-S135 WeakPolarHBondContact O-CB 3.4Å; L132-S135 PolarHBondContact O-N 3.42Å; L132-S135 PolarHBondContact O-OG 3.35Å; I133-S135 VanDerWaalsContact C-N 3.33Å; S135-A137 PolarHBondContact O-N 3.27Å; S135-A137 WeakPolarHBondContact OG-CB 3.19Å; S135-A137 PolarHBondContact OG-N 3.06Å; S135-A137 VanDerWaalsContact OG-N 3.1Å; S135-S138 WeakPolarHBondContact O-CB 3.39Å; S135-S138 PolarHBondContact O-N 3.05Å; S135-S138 VanDerWaalsContact O-N 3.12Å; S135-S138 PolarHBondContact O-OG 2.97Å; S135-S138 VanDerWaalsContact O-OG 3.1Å
136P84.8Confident89.1Confident92 Ų9239.4 Ų39.460%0.59721%0.214SC*.THydrogen-bonded Turntrans-57.5-16170.9-25.436.6000114.5S138 I246P136-S138 PolarHBondContact O-N 3.08Å; P136-I246 HydrophobicContact CB-CG2 3.87Å
137A85.2Confident89Confident1 Ų143.7 Ų43.71%0.00824%0.235CC..THydrogen-bonded Turntrans-72.8-8.917600000114.2L132 S135 E139 T140 L141 L230 L234L132-A137 HydrophobicContact CD2-CB 4.34Å; S135-A137 PolarHBondContact O-N 3.27Å; S135-A137 WeakPolarHBondContact OG-CB 3.19Å; S135-A137 PolarHBondContact OG-N 3.06Å; S135-A137 VanDerWaalsContact OG-N 3.1Å; A137-E139 VanDerWaalsContact C-N 3.26Å; A137-E139 PolarHBondContact O-N 3.13Å; A137-T140 PolarHBondContact O-N 3.42Å; A137-T140 PolarHBondContact O-OG1 2.86Å; A137-L141 PolarHBondContact O-N 3.05Å; A137-L230 HydrophobicContact CB-CD2 4.08Å; A137-L234 HydrophobicContact CB-CD1 4.14Å
138S87.4Confident89.1Confident25 Ų2540 Ų4018%0.17521%0.213CC..Hα-helixtrans-52.2-40.3-179.854.20000114.1I133 S135 P136 L141 L142I133-S138 VanDerWaalsContact O-CB 3.27Å; I133-S138 WeakPolarHBondContact O-CB 3.47Å; S135-S138 WeakPolarHBondContact O-CB 3.39Å; S135-S138 PolarHBondContact O-N 3.05Å; S135-S138 VanDerWaalsContact O-N 3.12Å; S135-S138 PolarHBondContact O-OG 2.97Å; S135-S138 VanDerWaalsContact O-OG 3.1Å; P136-S138 PolarHBondContact O-N 3.08Å; S138-L141 PolarHBondContact O-N 3.02Å; S138-L142 WeakPolarHBondContact O-CG 3.42Å; S138-L142 PolarHBondContact O-N 2.66Å
139E83.8Confident89Confident96 Ų9639.1 Ų39.145%0.44921%0.207SC..Hα-helixtrans-65.2-41176.9178.4165.1-160.800111.9A137 L142 N143A137-E139 VanDerWaalsContact C-N 3.26Å; A137-E139 PolarHBondContact O-N 3.13Å; E139-L142 PolarHBondContact O-N 2.91Å; E139-N143 WeakPolarHBondContact CG-ND2 3.45Å; E139-N143 VanDerWaalsContact O-CB 3.29Å; E139-N143 WeakPolarHBondContact O-CB 3.42Å; E139-N143 PolarHBondContact O-N 3.39Å; E139-N143 PolarHBondContact O-ND2 3.26Å
140T86.9Confident88.8Confident40 Ų4041.5 Ų41.525%0.24522%0.222CC..Hα-helixtrans-65.7-41.3178.760.50000112.1A137 L144 I246A137-T140 PolarHBondContact O-N 3.42Å; A137-T140 PolarHBondContact O-OG1 2.86Å; T140-L144 WeakPolarHBondContact O-CB 3.47Å; T140-L144 PolarHBondContact O-N 3.47Å; T140-I246 HydrophobicContact CG2-CG1 4.49Å
141L90.2Very high88.7Confident0 Ų041 Ų410%023%0.226CC..Hα-helixtrans-57.3-55.8173.5-74.9163.7000110.8Y129 L132 I133 A137 S138 N143 L144 E145 Y223 W226 V227Y129-L141 HydrophobicContact CD2-CD2 4.41Å; Y129-L141 HydrophobicContact CE2-CD2 4.35Å; L132-L141 HydrophobicContact CB-CD1 3.74Å; I133-L141 HydrophobicContact CB-CD1 4.31Å; I133-L141 HydrophobicContact CD1-CB 4.46Å; I133-L141 HydrophobicContact CD1-CD1 4.09Å; A137-L141 PolarHBondContact O-N 3.05Å; S138-L141 PolarHBondContact O-N 3.02Å; L141-N143 VanDerWaalsContact C-N 3.32Å; L141-N143 PolarHBondContact O-N 3.01Å; L141-L144 PolarHBondContact O-N 2.94Å; L141-L144 VanDerWaalsContact O-N 3.15Å; L141-E145 WeakPolarHBondContact O-CG 3.38Å; L141-E145 PolarHBondContact O-N 3.15Å; L141-Y223 HydrophobicContact CD2-CE2 4.44Å; L141-Y223 WeakPolarHBondContact CD2-OH 3.39Å; L141-W226 HydrophobicContact CD2-CE3 4.4Å; L141-W226 HydrophobicContact CD2-CZ3 3.63Å; L141-W226 HydrophobicContact CG-CZ3 4.22Å; L141-V227 HydrophobicContact CD2-CG2 3.63Å
142L88Confident88.7Confident21 Ų2137 Ų3711%0.1120%0.204CC..Hα-helixtrans-65.8-34-176.1-68.7177.9000113.1I133 S138 E139 H146 R312 L313 A316I133-L142 HydrophobicContact CD1-CD2 4.45Å; I133-L142 HydrophobicContact CD1-CG 4.29Å; S138-L142 WeakPolarHBondContact O-CG 3.42Å; S138-L142 PolarHBondContact O-N 2.66Å; E139-L142 PolarHBondContact O-N 2.91Å; L142-H146 VanDerWaalsContact O-CB 3.3Å; L142-H146 WeakPolarHBondContact O-CB 3.48Å; L142-H146 PolarHBondContact O-N 3.28Å; L142-R312 HydrophobicContact CD2-CG 4.24Å; L142-L313 HydrophobicContact CD1-CB 3.77Å; L142-L313 HydrophobicContact CD1-CD1 3.56Å; L142-L313 HydrophobicContact CD1-CG 4.23Å; L142-A316 HydrophobicContact CD2-CB 3.89Å
143N86.4Confident88.7Confident55 Ų5537.3 Ų37.329%0.29421%0.207SC..Hα-helixtrans-66.8-40.9174.7-75.4-25.8000111.1E139 L141 H146 N147E139-N143 WeakPolarHBondContact CG-ND2 3.45Å; E139-N143 VanDerWaalsContact O-CB 3.29Å; E139-N143 WeakPolarHBondContact O-CB 3.42Å; E139-N143 PolarHBondContact O-N 3.39Å; E139-N143 PolarHBondContact O-ND2 3.26Å; L141-N143 VanDerWaalsContact C-N 3.32Å; L141-N143 PolarHBondContact O-N 3.01Å; N143-H146 PolarHBondContact O-N 2.97Å; N143-N147 VanDerWaalsContact O-CG 3.23Å; N143-N147 PolarHBondContact O-N 2.91Å; N143-N147 PolarHBondContact O-ND2 2.89Å
144L89.8Confident88.6Confident37 Ų3742.7 Ų42.719%0.19423%0.232CC..Hα-helixtrans-63.9-47.5175.7-177.959.9000111.2T140 L141 H146 N147 Y148 Y223 W226T140-L144 WeakPolarHBondContact O-CB 3.47Å; T140-L144 PolarHBondContact O-N 3.47Å; L141-L144 PolarHBondContact O-N 2.94Å; L141-L144 VanDerWaalsContact O-N 3.15Å; L144-H146 PolarHBondContact O-N 2.96Å; L144-N147 PolarHBondContact O-N 3.48Å; L144-N147 VanDerWaalsContact O-N 3.16Å; L144-Y148 HydrophobicContact CD1-CD2 4.27Å; L144-Y148 HydrophobicContact CD1-CE2 3.73Å; L144-Y148 HydrophobicContact CD2-CE2 4.2Å; L144-Y148 HydrophobicContact CG-CD2 4.09Å; L144-Y148 HydrophobicContact CG-CE2 3.67Å; L144-Y148 WeakPolarHBondContact O-CD2 3.27Å; L144-Y148 PolarHBondContact O-N 3.34Å; L144-Y148 VanDerWaalsContact O-N 3.08Å; L144-Y223 HydrophobicContact CB-CE2 4.47Å; L144-Y223 HydrophobicContact CD2-CD2 3.68Å; L144-Y223 HydrophobicContact CD2-CE2 4Å; L144-Y223 HydrophobicContact CG-CD2 4.06Å; L144-Y223 HydrophobicContact CG-CE2 4.28Å; L144-W226 HydrophobicContact CD2-CD2 3.64Å; L144-W226 HydrophobicContact CD2-CE3 3.51Å; L144-W226 HydrophobicContact CD2-CG 4.14Å; L144-W226 HydrophobicContact CD2-CH2 4.33Å; L144-W226 HydrophobicContact CD2-CZ2 4.46Å; L144-W226 HydrophobicContact CD2-CZ3 3.88Å
145E89.8Confident88.8Confident8 Ų840.4 Ų40.44%0.03722%0.222CC..Hα-helixtrans-61.7-33.8175.1-61.3177.5-177.500112.3Y129 L141 F149 Y223 R312 F355Y129-E145 PolarHBondContact OH-OE1 3.38Å; L141-E145 WeakPolarHBondContact O-CG 3.38Å; L141-E145 PolarHBondContact O-N 3.15Å; E145-F149 WeakPolarHBondContact O-CB 3.35Å; E145-F149 PolarHBondContact O-N 3.06Å; E145-Y223 HydrophobicContact CG-CD2 4.49Å; E145-Y223 HydrophobicContact CG-CE1 4.48Å; E145-Y223 HydrophobicContact CG-CE2 3.59Å; E145-Y223 VanDerWaalsContact CG-OH 3.28Å; E145-Y223 WeakPolarHBondContact CG-OH 3.03Å; E145-Y223 PolarHBondContact OE1-OH 3.32Å; E145-R312 IonicContact OE2-CZ 3.74Å; E145-R312 IonicContact OE2-NE 2.7Å; E145-R312 IonicContact OE2-NH2 3.79Å; E145-R312 PolarHBondContact OE2-NH2 3.34Å; E145-F355 HydrophobicContact CB-CE2 4.06Å; E145-F355 HydrophobicContact CG-CD2 4.1Å; E145-F355 HydrophobicContact CG-CE2 3.9Å
146H87.6Confident89Confident36 Ų3639.4 Ų39.417%0.16722%0.215CC..Hα-helixtrans-67-40.5174.8-177.761.4000112.2L142 N143 L144 Y148 F149 V150 H304L142-H146 VanDerWaalsContact O-CB 3.3Å; L142-H146 WeakPolarHBondContact O-CB 3.48Å; L142-H146 PolarHBondContact O-N 3.28Å; N143-H146 PolarHBondContact O-N 2.97Å; L144-H146 PolarHBondContact O-N 2.96Å; H146-Y148 VanDerWaalsContact C-N 3.33Å; H146-Y148 PolarHBondContact O-N 3.18Å; H146-F149 AromaticContact ND1-CD1 3.84Å; H146-F149 WeakPolarHBondContact O-CB 3.39Å; H146-F149 PolarHBondContact O-N 3.31Å; H146-V150 WeakPolarHBondContact O-CG2 3.39Å; H146-V150 PolarHBondContact O-N 2.95Å; H146-H304 AromaticContact CD2-CE1 3.65Å; H146-H304 AromaticContact CE1-CE1 3.56Å; H146-H304 AromaticContact NE2-CE1 3.21Å; H146-H304 PolarHBondContact NE2-CE1 3.24Å; H146-H304 AromaticContact NE2-ND1 3.93Å
147N88.7Confident89.4Confident101 Ų10137.8 Ų37.854%0.5421%0.205SC..Hα-helixtrans-62.1-42.5175.9-67.5-24.5000111.4N143 L144 V150 S151N143-N147 VanDerWaalsContact O-CG 3.23Å; N143-N147 PolarHBondContact O-N 2.91Å; N143-N147 PolarHBondContact O-ND2 2.89Å; L144-N147 PolarHBondContact O-N 3.48Å; L144-N147 VanDerWaalsContact O-N 3.16Å; N147-V150 PolarHBondContact O-N 2.97Å; N147-S151 PolarHBondContact O-N 3.02Å
148Y91.3Very high89.8Confident32 Ų3242.9 Ų42.913%0.12523%0.229CC..Hα-helixtrans-62.6-41.5173.8-72.4-48.9000112.3L144 H146 V150 S151 I152 Q219 E222 Y223 F355L144-Y148 HydrophobicContact CD1-CD2 4.27Å; L144-Y148 HydrophobicContact CD1-CE2 3.73Å; L144-Y148 HydrophobicContact CD2-CE2 4.2Å; L144-Y148 HydrophobicContact CG-CD2 4.09Å; L144-Y148 HydrophobicContact CG-CE2 3.67Å; L144-Y148 WeakPolarHBondContact O-CD2 3.27Å; L144-Y148 PolarHBondContact O-N 3.34Å; L144-Y148 VanDerWaalsContact O-N 3.08Å; H146-Y148 VanDerWaalsContact C-N 3.33Å; H146-Y148 PolarHBondContact O-N 3.18Å; Y148-V150 PolarHBondContact O-N 3.37Å; Y148-S151 PolarHBondContact O-N 3.08Å; Y148-I152 WeakPolarHBondContact O-CG1 3.48Å; Y148-I152 PolarHBondContact O-N 3.18Å; Y148-Q219 HydrophobicContact CD1-CB 3.89Å; Y148-Q219 VanDerWaalsContact CD1-CD 3.4Å; Y148-Q219 HydrophobicContact CD1-CG 3.4Å; Y148-Q219 HydrophobicContact CE1-CB 3.97Å; Y148-Q219 HydrophobicContact CE1-CG 3.61Å; Y148-Q219 HydrophobicContact CG-CB 4.25Å; Y148-Q219 HydrophobicContact CG-CG 4.15Å; Y148-E222 WeakPolarHBondContact OH-CB 3.39Å; Y148-E222 PolarHBondContact OH-OE2 2.78Å; Y148-Y223 HydrophobicContact CD2-CD2 4.44Å; Y148-Y223 HydrophobicContact CE2-CD2 4.1Å; Y148-F355 AromaticContact CD2-CE1 3.89Å; Y148-F355 HydrophobicContact CD2-CE1 3.89Å; Y148-F355 AromaticContact CD2-CZ 3.58Å; Y148-F355 HydrophobicContact CD2-CZ 3.58Å; Y148-F355 HydrophobicContact CE2-CE1 4.31Å; Y148-F355 HydrophobicContact CE2-CZ 4.43Å; Y148-F355 HydrophobicContact CG-CE1 4.48Å; Y148-F355 HydrophobicContact CG-CZ 4.03Å
149F89.5Confident90.2Very high4 Ų443.4 Ų43.42%0.01823%0.227CC..Hα-helixtrans-57.7-45.6173164-100000112.8E145 H146 I152 S153 H300 R302 E351 C352E145-F149 WeakPolarHBondContact O-CB 3.35Å; E145-F149 PolarHBondContact O-N 3.06Å; H146-F149 AromaticContact ND1-CD1 3.84Å; H146-F149 WeakPolarHBondContact O-CB 3.39Å; H146-F149 PolarHBondContact O-N 3.31Å; F149-I152 PolarHBondContact O-N 3.21Å; F149-S153 WeakPolarHBondContact CE2-OG 3.21Å; F149-S153 VanDerWaalsContact O-CB 3.26Å; F149-S153 WeakPolarHBondContact O-CB 3.3Å; F149-S153 PolarHBondContact O-N 2.9Å; F149-S153 PolarHBondContact O-OG 3.44Å; F149-H300 HydrophobicContact CD2-CB 4.23Å; F149-H300 HydrophobicContact CE1-CB 4.11Å; F149-H300 HydrophobicContact CE2-CB 3.61Å; F149-H300 HydrophobicContact CZ-CB 3.53Å; F149-R302 HydrophobicContact CZ-CG 4.44Å; F149-E351 WeakPolarHBondContact CD2-O 3.43Å; F149-E351 HydrophobicContact CE2-CB 4.14Å; F149-C352 HydrophobicContact CD2-CB 3.89Å
150V89.1Confident90.6Very high53 Ų5342.4 Ų42.432%0.32123%0.225SC..Hα-helixtrans-61.6-46.4177.81730000110.3H146 N147 Y148 I152 S153 E154H146-V150 WeakPolarHBondContact O-CG2 3.39Å; H146-V150 PolarHBondContact O-N 2.95Å; N147-V150 PolarHBondContact O-N 2.97Å; Y148-V150 PolarHBondContact O-N 3.37Å; V150-I152 PolarHBondContact O-N 3.02Å; V150-S153 WeakPolarHBondContact O-CB 3.47Å; V150-S153 PolarHBondContact O-N 2.89Å; V150-E154 WeakPolarHBondContact O-CG 3.41Å; V150-E154 PolarHBondContact O-N 3.33Å
151S91.5Very high91.1Very high48 Ų4843.7 Ų43.734%0.33623%0.232SC..Hα-helixtrans-60.3-45.7178.6176.80000113N147 Y148 E154 L155N147-S151 PolarHBondContact O-N 3.02Å; Y148-S151 PolarHBondContact O-N 3.08Å; S151-E154 PolarHBondContact O-N 2.9Å; S151-L155 PolarHBondContact O-N 2.68Å; S151-L155 VanDerWaalsContact O-N 3.15Å
152I92.8Very high91.3Very high0 Ų047.4 Ų47.40%025%0.25CC..Hα-helixtrans-66.8-39.4176.7-66.2-60000111.3Y148 F149 V150 E154 L155 I156 T216 Q219 Q350Y148-I152 WeakPolarHBondContact O-CG1 3.48Å; Y148-I152 PolarHBondContact O-N 3.18Å; F149-I152 PolarHBondContact O-N 3.21Å; V150-I152 PolarHBondContact O-N 3.02Å; I152-E154 VanDerWaalsContact C-N 3.29Å; I152-E154 PolarHBondContact O-N 3.46Å; I152-L155 HydrophobicContact CD1-CD1 4.33Å; I152-L155 PolarHBondContact O-N 3.22Å; I152-I156 HydrophobicContact CG2-CD1 3.77Å; I152-I156 HydrophobicContact CG2-CG1 4.35Å; I152-I156 WeakPolarHBondContact O-CB 3.35Å; I152-I156 WeakPolarHBondContact O-CG1 3.41Å; I152-I156 PolarHBondContact O-N 3.07Å; I152-T216 HydrophobicContact CD1-CG2 3.83Å; I152-T216 HydrophobicContact CG1-CG2 4.46Å; I152-Q219 VanDerWaalsContact CG1-OE1 3.26Å; I152-Q350 VanDerWaalsContact CG2-O 3.27Å; I152-Q350 WeakPolarHBondContact CG2-O 3.42Å
153S89.8Confident91.6Very high10 Ų1047 Ų477%0.0725%0.248CC..Hα-helixtrans-61.1-37.4176.6-72.10000112.6F149 V150 S157F149-S153 WeakPolarHBondContact CE2-OG 3.21Å; F149-S153 VanDerWaalsContact O-CB 3.26Å; F149-S153 WeakPolarHBondContact O-CB 3.3Å; F149-S153 PolarHBondContact O-N 2.9Å; F149-S153 PolarHBondContact O-OG 3.44Å; V150-S153 WeakPolarHBondContact O-CB 3.47Å; V150-S153 PolarHBondContact O-N 2.89Å; S153-S157 WeakPolarHBondContact O-CB 3.5Å; S153-S157 PolarHBondContact O-N 3.08Å
154E90.9Very high92Very high115 Ų11550.4 Ų50.454%0.53726%0.26SS..Hα-helixtrans-65.9-48.7174.3-73.4173.5169.900111.3V150 S151 I152 I156 S157 E158V150-E154 WeakPolarHBondContact O-CG 3.41Å; V150-E154 PolarHBondContact O-N 3.33Å; S151-E154 PolarHBondContact O-N 2.9Å; I152-E154 VanDerWaalsContact C-N 3.29Å; I152-E154 PolarHBondContact O-N 3.46Å; E154-I156 VanDerWaalsContact C-N 3.3Å; E154-I156 PolarHBondContact O-N 3.49Å; E154-S157 CarbonylContact O-C 3.59Å; E154-S157 WeakPolarHBondContact O-CA 3.26Å; E154-S157 WeakPolarHBondContact O-CB 3.41Å; E154-S157 PolarHBondContact O-N 2.85Å; E154-E158 PolarHBondContact O-N 3.42Å
155L93.6Very high92.3Very high44 Ų4454.4 Ų54.423%0.2328%0.275CS..Hα-helixtrans-58.3-41.3176.2-71.3174.2000112.5S151 I152 S157 E158 R159 L212S151-L155 PolarHBondContact O-N 2.68Å; S151-L155 VanDerWaalsContact O-N 3.15Å; I152-L155 HydrophobicContact CD1-CD1 4.33Å; I152-L155 PolarHBondContact O-N 3.22Å; L155-S157 VanDerWaalsContact C-N 3.33Å; L155-E158 PolarHBondContact O-N 3.4Å; L155-R159 PolarHBondContact O-N 3.28Å; L155-L212 HydrophobicContact CB-CD2 4.09Å
156I92.4Very high92.6Very high10 Ų1054.9 Ų54.95%0.05128%0.278CS..Hα-helixtrans-63.3-41.5174.5-75171.3000111I152 E154 E158 R159 D160 L212 Q350I152-I156 HydrophobicContact CG2-CD1 3.77Å; I152-I156 HydrophobicContact CG2-CG1 4.35Å; I152-I156 WeakPolarHBondContact O-CB 3.35Å; I152-I156 WeakPolarHBondContact O-CG1 3.41Å; I152-I156 PolarHBondContact O-N 3.07Å; E154-I156 VanDerWaalsContact C-N 3.3Å; E154-I156 PolarHBondContact O-N 3.49Å; I156-E158 VanDerWaalsContact C-N 3.35Å; I156-R159 WeakPolarHBondContact O-CB 3.48Å; I156-R159 PolarHBondContact O-N 2.98Å; I156-D160 WeakPolarHBondContact O-CB 3.21Å; I156-D160 PolarHBondContact O-N 3Å; I156-L212 HydrophobicContact CG1-CD1 4.31Å; I156-L212 HydrophobicContact CG1-CD2 3.95Å; I156-Q350 WeakPolarHBondContact CD1-O 3.47Å
157S92.2Very high92.9Very high57 Ų5759.5 Ų59.540%0.39929%0.294SS..Hα-helixtrans-64.2-39.6177.1-172.40000111.9S153 E154 L155 D160 V161S153-S157 WeakPolarHBondContact O-CB 3.5Å; S153-S157 PolarHBondContact O-N 3.08Å; E154-S157 CarbonylContact O-C 3.59Å; E154-S157 WeakPolarHBondContact O-CA 3.26Å; E154-S157 WeakPolarHBondContact O-CB 3.41Å; E154-S157 PolarHBondContact O-N 2.85Å; L155-S157 VanDerWaalsContact C-N 3.33Å; S157-D160 PolarHBondContact O-N 3.09Å; S157-V161 VanDerWaalsContact O-CG2 3.28Å; S157-V161 WeakPolarHBondContact O-CG2 3.36Å; S157-V161 PolarHBondContact O-N 3.47Å
158E94.4Very high93.2Very high109 Ų10960 Ų6051%0.50929%0.293SS..Hα-helixtrans-63.2-48.4175.7-71.3-179.2-179.800111.4E154 L155 I156 D160 V161 E162 W208E154-E158 PolarHBondContact O-N 3.42Å; L155-E158 PolarHBondContact O-N 3.4Å; I156-E158 VanDerWaalsContact C-N 3.35Å; E158-D160 VanDerWaalsContact C-N 3.32Å; E158-D160 PolarHBondContact O-N 3.4Å; E158-V161 PolarHBondContact O-N 2.76Å; E158-E162 PolarHBondContact O-N 3.23Å; E158-W208 HydrophobicContact CB-CH2 3.76Å; E158-W208 HydrophobicContact CB-CZ2 4.4Å; E158-W208 HydrophobicContact CB-CZ3 4.46Å
159R94.7Very high93.4Very high36 Ų3664.9 Ų64.914%0.13631%0.312CS..Hα-helixtrans-51.3-51.4172.6174.8-162.975.6-170.52.5111.8L155 I156 V161 E162 L163 W208L155-R159 PolarHBondContact O-N 3.28Å; I156-R159 WeakPolarHBondContact O-CB 3.48Å; I156-R159 PolarHBondContact O-N 2.98Å; R159-V161 VanDerWaalsContact C-N 3.29Å; R159-V161 PolarHBondContact O-N 2.77Å; R159-E162 PolarHBondContact O-N 3Å; R159-L163 HydrophobicContact CG-CD1 3.79Å; R159-L163 HydrophobicContact CG-CG 4.33Å; R159-L163 WeakPolarHBondContact O-CB 3.25Å; R159-L163 WeakPolarHBondContact O-CG 3.35Å; R159-L163 PolarHBondContact O-N 3.15Å; R159-W208 HydrophobicContact CB-CB 4.37Å; R159-W208 HydrophobicContact CB-CD2 3.55Å; R159-W208 HydrophobicContact CB-CE3 3.78Å; R159-W208 HydrophobicContact CB-CG 3.84Å; R159-W208 HydrophobicContact CB-CZ2 4.33Å; R159-W208 HydrophobicContact CB-CZ3 4.26Å; R159-W208 HydrophobicContact CG-CB 3.74Å; R159-W208 HydrophobicContact CG-CD2 3.83Å; R159-W208 HydrophobicContact CG-CE3 4.41Å; R159-W208 HydrophobicContact CG-CG 3.5Å
160D93.6Very high93.6Very high75 Ų7565.5 Ų65.540%0.40132%0.315SS..Hα-helixtrans-64.8-36.6-175.1-70.5-8.8000111.4I156 S157 E158 K164I156-D160 WeakPolarHBondContact O-CB 3.21Å; I156-D160 PolarHBondContact O-N 3Å; S157-D160 PolarHBondContact O-N 3.09Å; E158-D160 VanDerWaalsContact C-N 3.32Å; E158-D160 PolarHBondContact O-N 3.4Å; D160-K164 WeakPolarHBondContact O-CB 3.45Å; D160-K164 PolarHBondContact O-N 3.37Å
161V96Very high93.8Very high66 Ų6664.5 Ų64.540%0.432%0.315SS..Hα-helixtrans-66.5-44.3174.2169.60000111.5S157 E158 R159 K164 K165S157-V161 VanDerWaalsContact O-CG2 3.28Å; S157-V161 WeakPolarHBondContact O-CG2 3.36Å; S157-V161 PolarHBondContact O-N 3.47Å; E158-V161 PolarHBondContact O-N 2.76Å; R159-V161 VanDerWaalsContact C-N 3.29Å; R159-V161 PolarHBondContact O-N 2.77Å; V161-K164 PolarHBondContact O-N 3.35Å; V161-K165 HydrophobicContact CG1-CD 4.18Å; V161-K165 WeakPolarHBondContact O-CG 3.36Å; V161-K165 PolarHBondContact O-N 3.19Å
162E95.8Very high94Very high78 Ų7864.6 Ų64.636%0.36432%0.318SS..Hα-helixtrans-66.7-45.2178.7-73.4-160.8165.700112.7E158 R159 K164 K165 L166 L204 W208E158-E162 PolarHBondContact O-N 3.23Å; R159-E162 PolarHBondContact O-N 3Å; E162-K164 VanDerWaalsContact C-N 3.28Å; E162-K164 PolarHBondContact O-N 2.94Å; E162-K165 PolarHBondContact O-N 3.13Å; E162-L166 PolarHBondContact O-N 3.29Å; E162-L204 HydrophobicContact CB-CD2 4.45Å; E162-W208 HydrophobicContact CB-CZ2 4.42Å; E162-W208 HydrophobicContact CG-CZ2 4.12Å; E162-W208 VanDerWaalsContact OE2-CZ2 3.25Å; E162-W208 WeakPolarHBondContact OE2-CZ2 3.45Å; E162-W208 PolarHBondContact OE2-NE1 2.96Å
163L93.9Very high94Very high14 Ų1468 Ų687%0.07333%0.334CS..Hα-helixtrans-60.6-39.7175.6-73.5174.7000111.2R159 L166 R167 L204 E205R159-L163 HydrophobicContact CG-CD1 3.79Å; R159-L163 HydrophobicContact CG-CG 4.33Å; R159-L163 WeakPolarHBondContact O-CB 3.25Å; R159-L163 WeakPolarHBondContact O-CG 3.35Å; R159-L163 PolarHBondContact O-N 3.15Å; L163-L166 PolarHBondContact O-N 3.42Å; L163-R167 WeakPolarHBondContact O-CG 3.42Å; L163-R167 PolarHBondContact O-N 2.87Å; L163-L204 HydrophobicContact CD2-CB 4.46Å; L163-L204 HydrophobicContact CD2-CD2 3.9Å; L163-L204 HydrophobicContact CD2-CG 4Å; L163-E205 HydrophobicContact CD1-CG 4.44Å; L163-E205 HydrophobicContact CD2-CG 3.73Å
164K95.4Very high94.1Very high126 Ų12669.3 Ų69.355%0.54834%0.34SS..Hα-helixtrans-63-48.4175.4-174.4179.2178.6-174.30111.6D160 V161 E162 L166 R167 E168D160-K164 WeakPolarHBondContact O-CB 3.45Å; D160-K164 PolarHBondContact O-N 3.37Å; V161-K164 PolarHBondContact O-N 3.35Å; E162-K164 VanDerWaalsContact C-N 3.28Å; E162-K164 PolarHBondContact O-N 2.94Å; K164-L166 VanDerWaalsContact C-N 3.29Å; K164-L166 PolarHBondContact O-N 3.23Å; K164-R167 PolarHBondContact O-N 2.72Å; K164-E168 WeakPolarHBondContact CE-OE1 3.4Å; K164-E168 WeakPolarHBondContact O-CG 3.33Å; K164-E168 PolarHBondContact O-N 3.04Å
165K96.2Very high94.1Very high120 Ų12068.4 Ų68.452%0.52234%0.339SS..Hα-helixtrans-59.6-39.1177-74.8172.6-179172.60112.2V161 E162 R169V161-K165 HydrophobicContact CG1-CD 4.18Å; V161-K165 WeakPolarHBondContact O-CG 3.36Å; V161-K165 PolarHBondContact O-N 3.19Å; E162-K165 PolarHBondContact O-N 3.13Å; K165-R169 PolarHBondContact O-N 2.76Å; K165-R169 VanDerWaalsContact O-N 3.09Å
166L95.3Very high93.9Very high19 Ų1972.8 Ų72.810%0.09936%0.356CS..Hα-helixtrans-63.4-49.5175.9-179.962.3000110.8E162 L163 K164 E168 R169 Q170 Q201 L204E162-L166 PolarHBondContact O-N 3.29Å; L163-L166 PolarHBondContact O-N 3.42Å; K164-L166 VanDerWaalsContact C-N 3.29Å; K164-L166 PolarHBondContact O-N 3.23Å; L166-E168 VanDerWaalsContact C-N 3.33Å; L166-E168 PolarHBondContact O-N 2.93Å; L166-R169 PolarHBondContact O-N 2.89Å; L166-Q170 HydrophobicContact CD1-CG 4.16Å; L166-Q170 HydrophobicContact CG-CG 4.36Å; L166-Q170 WeakPolarHBondContact O-CB 3.23Å; L166-Q170 VanDerWaalsContact O-CG 3.28Å; L166-Q170 WeakPolarHBondContact O-CG 3.2Å; L166-Q170 PolarHBondContact O-N 2.86Å; L166-Q201 HydrophobicContact CD2-CB 4.29Å; L166-L204 HydrophobicContact CB-CD2 4.15Å; L166-L204 HydrophobicContact CD2-CB 4.28Å; L166-L204 HydrophobicContact CD2-CD2 3.65Å
167R93.7Very high93.8Very high132 Ų13273.4 Ų73.450%0.49836%0.36SS..Hα-helixtrans-60.4-40.7178.4-71.8175.1-169.1151.26112.6L163 K164 Q170 G171L163-R167 WeakPolarHBondContact O-CG 3.42Å; L163-R167 PolarHBondContact O-N 2.87Å; K164-R167 PolarHBondContact O-N 2.72Å; R167-Q170 PolarHBondContact O-N 2.83Å; R167-G171 PolarHBondContact O-N 3.07Å
168E95.7Very high93.6Very high112 Ų11276.1 Ų76.152%0.52337%0.368SS..Hα-helixtrans-63.1-42.6176.2-73.9172.4177.100111.8K164 L166 G171 A172K164-E168 WeakPolarHBondContact CE-OE1 3.4Å; K164-E168 WeakPolarHBondContact O-CG 3.33Å; K164-E168 PolarHBondContact O-N 3.04Å; L166-E168 VanDerWaalsContact C-N 3.33Å; L166-E168 PolarHBondContact O-N 2.93Å; E168-G171 PolarHBondContact O-N 3.46Å; E168-A172 PolarHBondContact O-N 3.26Å
169R95.4Very high93.4Very high134 Ų13477.4 Ų77.451%0.50637%0.374SS..Hα-helixtrans-63.7-47.2175.6-170.8-171.9-55.9113.33.2111.6K165 L166 G171 A172 E173K165-R169 PolarHBondContact O-N 2.76Å; K165-R169 VanDerWaalsContact O-N 3.09Å; L166-R169 PolarHBondContact O-N 2.89Å; R169-G171 VanDerWaalsContact C-N 3.33Å; R169-G171 PolarHBondContact O-N 3.33Å; R169-A172 PolarHBondContact O-N 3.19Å; R169-E173 WeakPolarHBondContact CG-OE1 3.5Å; R169-E173 WeakPolarHBondContact O-CG 3.48Å; R169-E173 PolarHBondContact O-N 2.99Å
170Q93.6Very high93Very high18 Ų1880.1 Ų80.18%0.08439%0.388CS..Hα-helixtrans-61.9-40.7178.7-71.4176.9-23.900111.6L166 R167 E173 M174 H197L166-Q170 HydrophobicContact CD1-CG 4.16Å; L166-Q170 HydrophobicContact CG-CG 4.36Å; L166-Q170 WeakPolarHBondContact O-CB 3.23Å; L166-Q170 VanDerWaalsContact O-CG 3.28Å; L166-Q170 WeakPolarHBondContact O-CG 3.2Å; L166-Q170 PolarHBondContact O-N 2.86Å; R167-Q170 PolarHBondContact O-N 2.83Å; Q170-E173 PolarHBondContact O-N 3.08Å; Q170-M174 WeakPolarHBondContact O-CB 3.41Å; Q170-M174 PolarHBondContact O-N 2.95Å; Q170-H197 HydrophobicContact CG-CB 4.17Å; Q170-H197 PolarHBondContact NE2-O 3.18Å; Q170-H197 PolarHBondContact O-CE1 3.35Å; Q170-H197 VanDerWaalsContact O-CE1 3.25Å
171G93.3Very high92.6Very high32 Ų3279.7 Ų79.733%0.3339%0.386SS..Hα-helixtrans-59-48.917300000112.2R167 E168 R169 E173 M174 D175R167-G171 PolarHBondContact O-N 3.07Å; E168-G171 PolarHBondContact O-N 3.46Å; R169-G171 VanDerWaalsContact C-N 3.33Å; R169-G171 PolarHBondContact O-N 3.33Å; G171-E173 VanDerWaalsContact C-N 3.34Å; G171-E173 PolarHBondContact O-N 2.85Å; G171-M174 PolarHBondContact O-N 3.03Å; G171-D175 VanDerWaalsContact O-CG 3.29Å; G171-D175 PolarHBondContact O-N 3.24Å
172A94.6Very high91.8Very high49 Ų4980.2 Ų80.241%0.40540%0.404SS..Hα-helixtrans-65.4-33.3178.400000113.6E168 R169 K176E168-A172 PolarHBondContact O-N 3.26Å; R169-A172 PolarHBondContact O-N 3.19Å; A172-K176 WeakPolarHBondContact O-CG 3.19Å; A172-K176 PolarHBondContact O-N 3.46Å
173E93.3Very high91.3Very high72 Ų7284.8 Ų84.834%0.33642%0.423SS..Hα-helixtrans-69.4-44.8173.8-75.2172.3-169.200111.7R169 Q170 G171 D175 K176 V177 L193 H197R169-E173 WeakPolarHBondContact CG-OE1 3.5Å; R169-E173 WeakPolarHBondContact O-CG 3.48Å; R169-E173 PolarHBondContact O-N 2.99Å; Q170-E173 PolarHBondContact O-N 3.08Å; G171-E173 VanDerWaalsContact C-N 3.34Å; G171-E173 PolarHBondContact O-N 2.85Å; E173-D175 VanDerWaalsContact C-N 3.35Å; E173-D175 PolarHBondContact O-N 3.05Å; E173-K176 PolarHBondContact O-N 3.16Å; E173-V177 PolarHBondContact O-N 3.08Å; E173-V177 VanDerWaalsContact O-N 3.1Å; E173-L193 HydrophobicContact CB-CD2 4.38Å; E173-H197 IonicContact OE2-CD2 3.79Å; E173-H197 IonicContact OE2-CE1 3.7Å; E173-H197 IonicContact OE2-NE2 2.8Å; E173-H197 PolarHBondContact OE2-NE2 2.79Å
174M91.3Very high90.7Very high38 Ų3887.8 Ų87.819%0.18745%0.445CS..Hα-helixtrans-62.4-42.1177.5-171.861.366.700111.5Q170 G171 K176 V177 M178 V190 L193 A194Q170-M174 WeakPolarHBondContact O-CB 3.41Å; Q170-M174 PolarHBondContact O-N 2.95Å; G171-M174 PolarHBondContact O-N 3.03Å; M174-K176 VanDerWaalsContact C-N 3.3Å; M174-K176 PolarHBondContact O-N 3.32Å; M174-V177 PolarHBondContact O-N 3.3Å; M174-M178 HydrophobicContact CG-CE 4.35Å; M174-M178 WeakPolarHBondContact O-CB 3.39Å; M174-M178 WeakPolarHBondContact O-CG 3.29Å; M174-M178 PolarHBondContact O-N 3.3Å; M174-M178 HydrophobicContact SD-CE 4.46Å; M174-V190 HydrophobicContact SD-CG1 4.07Å; M174-L193 HydrophobicContact CE-CD2 4.37Å; M174-A194 HydrophobicContact CE-CB 4.14Å
175D91.8Very high90.2Very high96 Ų9683.9 Ų83.951%0.51343%0.43SS..Hα-helixtrans-59.7-40.2176.6-75-19.4000112G171 E173 Q179G171-D175 VanDerWaalsContact O-CG 3.29Å; G171-D175 PolarHBondContact O-N 3.24Å; E173-D175 VanDerWaalsContact C-N 3.35Å; E173-D175 PolarHBondContact O-N 3.05Å; D175-Q179 VanDerWaalsContact O-CG 3.27Å; D175-Q179 WeakPolarHBondContact O-CG 3.31Å; D175-Q179 PolarHBondContact O-N 3.22Å; D175-Q179 VanDerWaalsContact O-N 3.1Å
176K90.3Very high89.8Confident136 Ų13681.8 Ų81.859%0.59143%0.427SS*.Hα-helixtrans-65.1-46.6176.3-72.6171.8-174.4176.10111.6A172 E173 M174 M178 Q179 E180A172-K176 WeakPolarHBondContact O-CG 3.19Å; A172-K176 PolarHBondContact O-N 3.46Å; E173-K176 PolarHBondContact O-N 3.16Å; M174-K176 VanDerWaalsContact C-N 3.3Å; M174-K176 PolarHBondContact O-N 3.32Å; K176-M178 VanDerWaalsContact C-N 3.32Å; K176-M178 PolarHBondContact O-N 2.94Å; K176-Q179 PolarHBondContact O-N 2.99Å; K176-E180 PolarHBondContact O-N 3.48Å
177V89.4Confident89.5Confident23 Ų2386.2 Ų86.214%0.13945%0.451CS..Hα-helixtrans-64.4-39.3179174.40000111E173 M174 Q179 E180 L181 L185 V190 L193E173-V177 PolarHBondContact O-N 3.08Å; E173-V177 VanDerWaalsContact O-N 3.1Å; M174-V177 PolarHBondContact O-N 3.3Å; V177-Q179 VanDerWaalsContact C-N 3.31Å; V177-Q179 PolarHBondContact O-N 3.03Å; V177-E180 PolarHBondContact O-N 3.47Å; V177-L181 PolarHBondContact O-N 3.2Å; V177-L185 HydrophobicContact CB-CD1 4.21Å; V177-L185 HydrophobicContact CG1-CD1 3.89Å; V177-L185 HydrophobicContact CG2-CD1 4.05Å; V177-V190 HydrophobicContact CG1-CB 4.43Å; V177-V190 HydrophobicContact CG1-CG2 3.64Å; V177-L193 HydrophobicContact CB-CD2 4.19Å; V177-L193 HydrophobicContact CG2-CD2 3.57Å
178M88.6Confident89.2Confident114 Ų11486.9 Ų86.956%0.56246%0.46SS*.Hα-helixtrans-63.3-33174.7-76.7-163171.500113.3M174 K176 E180 L181M174-M178 HydrophobicContact CG-CE 4.35Å; M174-M178 WeakPolarHBondContact O-CB 3.39Å; M174-M178 WeakPolarHBondContact O-CG 3.29Å; M174-M178 PolarHBondContact O-N 3.3Å; M174-M178 HydrophobicContact SD-CE 4.46Å; K176-M178 VanDerWaalsContact C-N 3.32Å; K176-M178 PolarHBondContact O-N 2.94Å; M178-E180 VanDerWaalsContact C-N 3.31Å; M178-L181 WeakPolarHBondContact O-CB 3.47Å
179Q88.9Confident88.8Confident136 Ų13684.8 Ų84.864%0.63645%0.452SS*.Hα-helixtrans-71.7-25.3176.6-73.8173.320.500113.9D175 K176 V177 K183D175-Q179 VanDerWaalsContact O-CG 3.27Å; D175-Q179 WeakPolarHBondContact O-CG 3.31Å; D175-Q179 PolarHBondContact O-N 3.22Å; D175-Q179 VanDerWaalsContact O-N 3.1Å; K176-Q179 PolarHBondContact O-N 2.99Å; V177-Q179 VanDerWaalsContact C-N 3.31Å; V177-Q179 PolarHBondContact O-N 3.03Å; Q179-K183 PolarHBondContact O-NZ 3.19Å
180E87.3Confident88.5Confident92 Ų9279.4 Ų79.443%0.4343%0.434SS..Hα-helixtrans-97.3-7.5-180-77.6-168.2-157.300113.5K176 V177 M178 G182 K183 S184 L185K176-E180 PolarHBondContact O-N 3.48Å; V177-E180 PolarHBondContact O-N 3.47Å; M178-E180 VanDerWaalsContact C-N 3.31Å; E180-G182 PolarHBondContact O-N 2.92Å; E180-K183 PolarHBondContact O-N 3.03Å; E180-S184 WeakPolarHBondContact CB-OG 3.45Å; E180-S184 PolarHBondContact O-N 2.89Å; E180-S184 VanDerWaalsContact O-N 3.1Å; E180-S184 PolarHBondContact OE2-OG 3.42Å; E180-L185 HydrophobicContact CB-CB 4.46Å; E180-L185 HydrophobicContact CB-CD1 3.68Å; E180-L185 HydrophobicContact CB-CG 4.14Å; E180-L185 PolarHBondContact O-N 2.79Å
181L85.3Confident88.4Confident67 Ų6783.8 Ų83.835%0.35146%0.458SS..BIsolated β-bridgetrans-59.4126177.5-16962.7000111.1V177 M178 K183 V190V177-L181 PolarHBondContact O-N 3.2Å; M178-L181 WeakPolarHBondContact O-CB 3.47Å; L181-K183 PolarHBondContact O-N 3.44Å; L181-V190 HydrophobicContact CD1-CG2 3.67Å; L181-V190 HydrophobicContact CD2-CG2 4.48Å
182G78.3Confident88.3Confident76 Ų7685.6 Ų85.678%0.78447%0.465SS*.THydrogen-bonded Turntrans78.5-1-177.200000114.9E180 L185E180-G182 PolarHBondContact O-N 2.92Å; G182-L185 PolarHBondContact N-O 3.5Å
183K85.3Confident88.2Confident175 Ų17584.5 Ų84.576%0.76145%0.453SS*.THydrogen-bonded Turntrans-103.4-65.9169.3-63174.5-171.71500111.1Q179 E180 L181Q179-K183 PolarHBondContact O-NZ 3.19Å; E180-K183 PolarHBondContact O-N 3.03Å; L181-K183 PolarHBondContact O-N 3.44Å
184S81.5Confident88.1Confident77 Ų7783 Ų8354%0.53845%0.453SS..THydrogen-bonded Turntrans-117.7-24-176.241.50000112.6E180E180-S184 WeakPolarHBondContact CB-OG 3.45Å; E180-S184 PolarHBondContact O-N 2.89Å; E180-S184 VanDerWaalsContact O-N 3.1Å; E180-S184 PolarHBondContact OE2-OG 3.42Å
185L85.7Confident88.2Confident44 Ų4483.5 Ų83.523%0.2346%0.463CS..BIsolated β-bridgetrans-117.3151.5-175-64.9170.4000111.6V177 E180 G182 D189V177-L185 HydrophobicContact CB-CD1 4.21Å; V177-L185 HydrophobicContact CG1-CD1 3.89Å; V177-L185 HydrophobicContact CG2-CD1 4.05Å; E180-L185 HydrophobicContact CB-CB 4.46Å; E180-L185 HydrophobicContact CB-CD1 3.68Å; E180-L185 HydrophobicContact CB-CG 4.14Å; E180-L185 PolarHBondContact O-N 2.79Å; G182-L185 PolarHBondContact N-O 3.5Å; L185-D189 HydrophobicContact CB-CB 4.45Å; L185-D189 HydrophobicContact CD2-CB 4.1Å
186T87.8Confident88.4Confident76 Ų7684.5 Ų84.547%0.46647%0.465SS..  trans-107165.5-17967.30000111.6Q188 D189 V190T186-Q188 PolarHBondContact O-N 3.12Å; T186-Q188 VanDerWaalsContact O-N 3.16Å; T186-Q188 PolarHBondContact OG1-N 3.29Å; T186-D189 PolarHBondContact N-OD2 3.32Å; T186-D189 WeakPolarHBondContact O-CB 3.14Å; T186-D189 PolarHBondContact O-N 2.91Å; T186-D189 PolarHBondContact OG1-OD2 2.88Å; T186-V190 PolarHBondContact O-N 3.14Å
187D88.3Confident88.6Confident112 Ų11279 Ų7960%0.59944%0.441SS*.Hα-helixtrans-58.6-26.2172.9-63.4-34.9000112.5D189 N191D187-D189 VanDerWaalsContact C-N 3.34Å; D187-N191 PolarHBondContact O-N 2.9Å; D187-N191 VanDerWaalsContact O-N 3.08Å; D187-N191 PolarHBondContact O-ND2 2.78Å; D187-N191 VanDerWaalsContact O-ND2 3.16Å
188Q88Confident88.8Confident146 Ų14684.1 Ų84.168%0.68246%0.462SS*.Hα-helixtrans-70-33.5176.7-169.9170-3.200111.9T186 N191 S192T186-Q188 PolarHBondContact O-N 3.12Å; T186-Q188 VanDerWaalsContact O-N 3.16Å; T186-Q188 PolarHBondContact OG1-N 3.29Å; Q188-N191 PolarHBondContact O-N 2.99Å; Q188-S192 WeakPolarHBondContact O-CB 3.27Å; Q188-S192 PolarHBondContact O-N 3.21Å; Q188-S192 PolarHBondContact O-OG 3.44Å
189D87.4Confident89.1Confident67 Ų6784.4 Ų84.436%0.35846%0.462SS..Hα-helixtrans-70.8-39.4176.8-55.7-53000110.8L185 T186 D187 S192 L193L185-D189 HydrophobicContact CB-CB 4.45Å; L185-D189 HydrophobicContact CD2-CB 4.1Å; T186-D189 PolarHBondContact N-OD2 3.32Å; T186-D189 WeakPolarHBondContact O-CB 3.14Å; T186-D189 PolarHBondContact O-N 2.91Å; T186-D189 PolarHBondContact OG1-OD2 2.88Å; D187-D189 VanDerWaalsContact C-N 3.34Å; D189-S192 PolarHBondContact O-N 3.04Å; D189-L193 WeakPolarHBondContact O-CB 3.46Å; D189-L193 PolarHBondContact O-N 2.83Å
190V88.6Confident89.3Confident22 Ų2280.2 Ų80.213%0.13345%0.447CS..Hα-helixtrans-59.5-49173-179.80000110.7M174 V177 L181 T186 S192 L193 A194M174-V190 HydrophobicContact SD-CG1 4.07Å; V177-V190 HydrophobicContact CG1-CB 4.43Å; V177-V190 HydrophobicContact CG1-CG2 3.64Å; L181-V190 HydrophobicContact CD1-CG2 3.67Å; L181-V190 HydrophobicContact CD2-CG2 4.48Å; T186-V190 PolarHBondContact O-N 3.14Å; V190-S192 VanDerWaalsContact C-N 3.33Å; V190-S192 PolarHBondContact O-N 3.32Å; V190-L193 PolarHBondContact O-N 2.94Å; V190-A194 WeakPolarHBondContact O-CB 3.23Å; V190-A194 PolarHBondContact O-N 3.29Å
191N90.9Very high89.6Confident110 Ų11078.4 Ų78.459%0.58844%0.439SS*.Hα-helixtrans-65.2-37.3-180-74.1-33.7000112.2D187 Q188 A194 A195D187-N191 PolarHBondContact O-N 2.9Å; D187-N191 VanDerWaalsContact O-N 3.08Å; D187-N191 PolarHBondContact O-ND2 2.78Å; D187-N191 VanDerWaalsContact O-ND2 3.16Å; Q188-N191 PolarHBondContact O-N 2.99Å; N191-A194 PolarHBondContact O-N 2.88Å; N191-A195 WeakPolarHBondContact O-CB 3.37Å; N191-A195 PolarHBondContact O-N 3.42Å
192S91.6Very high90.1Very high69 Ų6979.5 Ų79.548%0.48344%0.442SS..Hα-helixtrans-66.4-42.5176.6-57.30000111.4Q188 D189 V190 A195 Q196Q188-S192 WeakPolarHBondContact O-CB 3.27Å; Q188-S192 PolarHBondContact O-N 3.21Å; Q188-S192 PolarHBondContact O-OG 3.44Å; D189-S192 PolarHBondContact O-N 3.04Å; V190-S192 VanDerWaalsContact C-N 3.33Å; V190-S192 PolarHBondContact O-N 3.32Å; S192-A195 PolarHBondContact O-N 3.11Å; S192-Q196 PolarHBondContact O-N 3.09Å
193L92.4Very high90.9Very high26 Ų2681.1 Ų81.114%0.13643%0.433CS..Hα-helixtrans-63.6-44.2174.6-177.865.2000111.6E173 M174 V177 D189 V190 A195 Q196 H197E173-L193 HydrophobicContact CB-CD2 4.38Å; M174-L193 HydrophobicContact CE-CD2 4.37Å; V177-L193 HydrophobicContact CB-CD2 4.19Å; V177-L193 HydrophobicContact CG2-CD2 3.57Å; D189-L193 WeakPolarHBondContact O-CB 3.46Å; D189-L193 PolarHBondContact O-N 2.83Å; V190-L193 PolarHBondContact O-N 2.94Å; L193-A195 VanDerWaalsContact C-N 3.3Å; L193-A195 PolarHBondContact O-N 2.89Å; L193-Q196 PolarHBondContact O-N 2.98Å; L193-H197 WeakPolarHBondContact CD1-NE2 3.5Å; L193-H197 WeakPolarHBondContact O-CB 3.36Å; L193-H197 PolarHBondContact O-N 3.15Å
194A92.1Very high91.3Very high41 Ų4174.3 Ų74.334%0.33940%0.404SS..Hα-helixtrans-60.7-39.6177.100000112M174 V190 N191 H197 F198M174-A194 HydrophobicContact CE-CB 4.14Å; V190-A194 WeakPolarHBondContact O-CB 3.23Å; V190-A194 PolarHBondContact O-N 3.29Å; N191-A194 PolarHBondContact O-N 2.88Å; A194-H197 PolarHBondContact O-N 3.37Å; A194-F198 WeakPolarHBondContact O-CB 3.5Å; A194-F198 PolarHBondContact O-N 2.99Å
195A93.8Very high91.8Very high49 Ų4974 Ų7441%0.40539%0.394SS..Hα-helixtrans-63.2-45.4173.900000111.7N191 S192 L193 H197 F198 E199N191-A195 WeakPolarHBondContact O-CB 3.37Å; N191-A195 PolarHBondContact O-N 3.42Å; S192-A195 PolarHBondContact O-N 3.11Å; L193-A195 VanDerWaalsContact C-N 3.3Å; L193-A195 PolarHBondContact O-N 2.89Å; A195-H197 VanDerWaalsContact C-N 3.34Å; A195-H197 PolarHBondContact O-N 2.9Å; A195-F198 WeakPolarHBondContact O-CB 3.38Å; A195-F198 PolarHBondContact O-N 2.89Å; A195-E199 PolarHBondContact O-N 2.84Å
196Q94.3Very high92.2Very high117 Ų11776 Ų7655%0.54741%0.406SS..Hα-helixtrans-63-39.7176.4-172.8-177.7-0.100112.3S192 L193 F198 S200S192-Q196 PolarHBondContact O-N 3.09Å; L193-Q196 PolarHBondContact O-N 2.98Å; Q196-F198 VanDerWaalsContact C-N 3.35Å; Q196-S200 WeakPolarHBondContact O-CB 3.4Å; Q196-S200 PolarHBondContact O-N 3.05Å; Q196-S200 PolarHBondContact O-OG 3.37Å
197H95.2Very high92.6Very high19 Ų1977.1 Ų77.19%0.08840%0.404CS..Hα-helixtrans-62.4-43.3175-74.4-177.3000111.5Q170 E173 L193 A194 A195 Q201Q170-H197 HydrophobicContact CG-CB 4.17Å; Q170-H197 PolarHBondContact NE2-O 3.18Å; Q170-H197 PolarHBondContact O-CE1 3.35Å; Q170-H197 VanDerWaalsContact O-CE1 3.25Å; E173-H197 IonicContact OE2-CD2 3.79Å; E173-H197 IonicContact OE2-CE1 3.7Å; E173-H197 IonicContact OE2-NE2 2.8Å; E173-H197 PolarHBondContact OE2-NE2 2.79Å; L193-H197 WeakPolarHBondContact CD1-NE2 3.5Å; L193-H197 WeakPolarHBondContact O-CB 3.36Å; L193-H197 PolarHBondContact O-N 3.15Å; A194-H197 PolarHBondContact O-N 3.37Å; A195-H197 VanDerWaalsContact C-N 3.34Å; A195-H197 PolarHBondContact O-N 2.9Å; H197-Q201 WeakPolarHBondContact O-CB 3.41Å; H197-Q201 PolarHBondContact O-N 3.24Å
198F93.2Very high92.9Very high132 Ų13272.1 Ų72.158%0.57938%0.377SS*.Hα-helixtrans-62.3-48.8176.8-178.5-95.4000111.9A194 A195 Q196 Q201 Q202A194-F198 WeakPolarHBondContact O-CB 3.5Å; A194-F198 PolarHBondContact O-N 2.99Å; A195-F198 WeakPolarHBondContact O-CB 3.38Å; A195-F198 PolarHBondContact O-N 2.89Å; Q196-F198 VanDerWaalsContact C-N 3.35Å; F198-Q201 PolarHBondContact O-N 3.17Å; F198-Q202 WeakPolarHBondContact O-CB 3.43Å; F198-Q202 PolarHBondContact O-N 3.41Å
199E94.8Very high93.1Very high120 Ų12069.5 Ų69.556%0.56137%0.37SS*.Hα-helixtrans-59.8-48.3176.7-73.3178.1179.600111.6A195 Q201 Q202 D203A195-E199 PolarHBondContact O-N 2.84Å; E199-Q201 VanDerWaalsContact C-N 3.3Å; E199-Q201 PolarHBondContact O-N 3.47Å; E199-Q202 PolarHBondContact O-N 2.94Å; E199-Q202 VanDerWaalsContact O-N 3.15Å; E199-D203 PolarHBondContact O-N 3.49Å
200S94.3Very high93.4Very high47 Ų4769.9 Ų69.933%0.32938%0.379SS..Hα-helixtrans-62.2-37.9179.8-58.30000112.5Q196 L204Q196-S200 WeakPolarHBondContact O-CB 3.4Å; Q196-S200 PolarHBondContact O-N 3.05Å; Q196-S200 PolarHBondContact O-OG 3.37Å; S200-L204 WeakPolarHBondContact O-CB 3.49Å; S200-L204 PolarHBondContact O-N 3.05Å
201Q93.8Very high93.7Very high54 Ų5472.4 Ų72.425%0.25239%0.389SS..Hα-helixtrans-67.8-43.9175.6-177.7175.2-15.600110.9L166 H197 F198 E199 L204 E205L166-Q201 HydrophobicContact CD2-CB 4.29Å; H197-Q201 WeakPolarHBondContact O-CB 3.41Å; H197-Q201 PolarHBondContact O-N 3.24Å; F198-Q201 PolarHBondContact O-N 3.17Å; E199-Q201 VanDerWaalsContact C-N 3.3Å; E199-Q201 PolarHBondContact O-N 3.47Å; Q201-L204 PolarHBondContact O-N 2.81Å; Q201-E205 HydrophobicContact CG-CG 4.4Å; Q201-E205 WeakPolarHBondContact CG-OE1 3.46Å; Q201-E205 PolarHBondContact NE2-OE1 3.19Å; Q201-E205 WeakPolarHBondContact O-CB 3.46Å; Q201-E205 WeakPolarHBondContact O-CG 3.47Å; Q201-E205 PolarHBondContact O-N 3.19Å
202Q94.1Very high93.8Very high90 Ų9068.1 Ų68.142%0.42137%0.366SS..Hα-helixtrans-63.6-42.4179.1-175.2168.222.400112F198 E199 L204 E205 N206F198-Q202 WeakPolarHBondContact O-CB 3.43Å; F198-Q202 PolarHBondContact O-N 3.41Å; E199-Q202 PolarHBondContact O-N 2.94Å; E199-Q202 VanDerWaalsContact O-N 3.15Å; Q202-L204 PolarHBondContact O-N 3.08Å; Q202-E205 PolarHBondContact O-N 2.81Å; Q202-N206 VanDerWaalsContact O-CB 3.29Å; Q202-N206 WeakPolarHBondContact O-CB 3.36Å; Q202-N206 PolarHBondContact O-N 3.4Å; Q202-N206 PolarHBondContact O-ND2 2.68Å
203D95.2Very high93.8Very high111 Ų11172.4 Ų72.459%0.59438%0.376SS*.Hα-helixtrans-61.6-43.8176.6-75.8-16.9000111.9E199 N206 K207E199-D203 PolarHBondContact O-N 3.49Å; D203-N206 PolarHBondContact O-N 3.38Å; D203-K207 WeakPolarHBondContact O-CB 3.33Å; D203-K207 PolarHBondContact O-N 2.92Å
204L94.6Very high93.9Very high31 Ų3177 Ų7716%0.16240%0.397CS..Hα-helixtrans-66.4-44177.7-173.757.6000111.6E162 L163 L166 S200 Q201 Q202 N206 K207 W208E162-L204 HydrophobicContact CB-CD2 4.45Å; L163-L204 HydrophobicContact CD2-CB 4.46Å; L163-L204 HydrophobicContact CD2-CD2 3.9Å; L163-L204 HydrophobicContact CD2-CG 4Å; L166-L204 HydrophobicContact CB-CD2 4.15Å; L166-L204 HydrophobicContact CD2-CB 4.28Å; L166-L204 HydrophobicContact CD2-CD2 3.65Å; S200-L204 WeakPolarHBondContact O-CB 3.49Å; S200-L204 PolarHBondContact O-N 3.05Å; Q201-L204 PolarHBondContact O-N 2.81Å; Q202-L204 PolarHBondContact O-N 3.08Å; L204-N206 VanDerWaalsContact C-N 3.34Å; L204-N206 PolarHBondContact O-N 2.89Å; L204-K207 PolarHBondContact O-N 3.16Å; L204-W208 PolarHBondContact O-N 2.89Å; L204-W208 VanDerWaalsContact O-N 3.1Å
205E92.6Very high94Very high71 Ų7176.4 Ų76.433%0.33239%0.39SS..Hα-helixtrans-62.3-40.3176-74178.4-176.100111.9L163 Q201 Q202 T209L163-E205 HydrophobicContact CD1-CG 4.44Å; L163-E205 HydrophobicContact CD2-CG 3.73Å; Q201-E205 HydrophobicContact CG-CG 4.4Å; Q201-E205 WeakPolarHBondContact CG-OE1 3.46Å; Q201-E205 PolarHBondContact NE2-OE1 3.19Å; Q201-E205 WeakPolarHBondContact O-CB 3.46Å; Q201-E205 WeakPolarHBondContact O-CG 3.47Å; Q201-E205 PolarHBondContact O-N 3.19Å; Q202-E205 PolarHBondContact O-N 2.81Å; E205-T209 VanDerWaalsContact O-CB 3.31Å; E205-T209 WeakPolarHBondContact O-CB 3.35Å; E205-T209 PolarHBondContact O-N 3.12Å; E205-T209 PolarHBondContact O-OG1 3.47Å
206N94.3Very high94Very high87 Ų8776 Ų7647%0.46538%0.382SS..Hα-helixtrans-65.7-43.2176.5-75.1-25.1000112.1Q202 D203 L204 T209 S210Q202-N206 VanDerWaalsContact O-CB 3.29Å; Q202-N206 WeakPolarHBondContact O-CB 3.36Å; Q202-N206 PolarHBondContact O-N 3.4Å; Q202-N206 PolarHBondContact O-ND2 2.68Å; D203-N206 PolarHBondContact O-N 3.38Å; L204-N206 VanDerWaalsContact C-N 3.34Å; L204-N206 PolarHBondContact O-N 2.89Å; N206-T209 PolarHBondContact O-N 3.17Å; N206-S210 WeakPolarHBondContact O-CB 3.25Å; N206-S210 PolarHBondContact O-N 3.08Å
207K95.9Very high94Very high98 Ų9873 Ų7343%0.42638%0.378SS..Hα-helixtrans-55.4-54.5174.8179.3-167.7166-162.40110.4D203 L204 T209 S210 E211D203-K207 WeakPolarHBondContact O-CB 3.33Å; D203-K207 PolarHBondContact O-N 2.92Å; L204-K207 PolarHBondContact O-N 3.16Å; K207-T209 VanDerWaalsContact C-N 3.33Å; K207-T209 PolarHBondContact O-N 3.28Å; K207-S210 WeakPolarHBondContact O-CB 3.35Å; K207-S210 PolarHBondContact O-N 3.37Å; K207-S210 VanDerWaalsContact O-N 3.15Å; K207-E211 WeakPolarHBondContact CE-OE1 3.42Å; K207-E211 IonicContact NZ-OE1 3.87Å; K207-E211 WeakPolarHBondContact O-CG 3.31Å; K207-E211 PolarHBondContact O-N 2.97Å
208W94.5Very high93.9Very high8 Ų875.6 Ų75.63%0.0339%0.392CS..Hα-helixtrans-63.9-37.3-179.5-77.5116.9000113.1E158 R159 E162 L204 S210 E211 L212E158-W208 HydrophobicContact CB-CH2 3.76Å; E158-W208 HydrophobicContact CB-CZ2 4.4Å; E158-W208 HydrophobicContact CB-CZ3 4.46Å; R159-W208 HydrophobicContact CB-CB 4.37Å; R159-W208 HydrophobicContact CB-CD2 3.55Å; R159-W208 HydrophobicContact CB-CE3 3.78Å; R159-W208 HydrophobicContact CB-CG 3.84Å; R159-W208 HydrophobicContact CB-CZ2 4.33Å; R159-W208 HydrophobicContact CB-CZ3 4.26Å; R159-W208 HydrophobicContact CG-CB 3.74Å; R159-W208 HydrophobicContact CG-CD2 3.83Å; R159-W208 HydrophobicContact CG-CE3 4.41Å; R159-W208 HydrophobicContact CG-CG 3.5Å; E162-W208 HydrophobicContact CB-CZ2 4.42Å; E162-W208 HydrophobicContact CG-CZ2 4.12Å; E162-W208 VanDerWaalsContact OE2-CZ2 3.25Å; E162-W208 WeakPolarHBondContact OE2-CZ2 3.45Å; E162-W208 PolarHBondContact OE2-NE1 2.96Å; L204-W208 PolarHBondContact O-N 2.89Å; L204-W208 VanDerWaalsContact O-N 3.1Å; W208-S210 VanDerWaalsContact C-N 3.32Å; W208-S210 PolarHBondContact O-N 3.48Å; W208-E211 WeakPolarHBondContact CZ3-OE2 3.13Å; W208-E211 PolarHBondContact O-N 3.36Å; W208-L212 WeakPolarHBondContact O-CB 3.08Å; W208-L212 WeakPolarHBondContact O-CG 3.35Å; W208-L212 PolarHBondContact O-N 3.15Å
209T91.8Very high94Very high90 Ų9069.7 Ų69.755%0.55237%0.366SS*.Hα-helixtrans-62.1-41.7174.5-60.20000111.2E205 N206 K207 K213E205-T209 VanDerWaalsContact O-CB 3.31Å; E205-T209 WeakPolarHBondContact O-CB 3.35Å; E205-T209 PolarHBondContact O-N 3.12Å; E205-T209 PolarHBondContact O-OG1 3.47Å; N206-T209 PolarHBondContact O-N 3.17Å; K207-T209 VanDerWaalsContact C-N 3.33Å; K207-T209 PolarHBondContact O-N 3.28Å; T209-K213 VanDerWaalsContact O-CB 3.24Å; T209-K213 WeakPolarHBondContact O-CB 3.36Å; T209-K213 PolarHBondContact O-N 3.21Å
210S93.9Very high94Very high76 Ų7666.3 Ų66.353%0.53135%0.349SS..Hα-helixtrans-67.2-45.7177-171.30000112N206 K207 W208 K213 Q214N206-S210 WeakPolarHBondContact O-CB 3.25Å; N206-S210 PolarHBondContact O-N 3.08Å; K207-S210 WeakPolarHBondContact O-CB 3.35Å; K207-S210 PolarHBondContact O-N 3.37Å; K207-S210 VanDerWaalsContact O-N 3.15Å; W208-S210 VanDerWaalsContact C-N 3.32Å; W208-S210 PolarHBondContact O-N 3.48Å; S210-K213 PolarHBondContact O-N 3.07Å; S210-Q214 WeakPolarHBondContact O-CB 3.42Å; S210-Q214 PolarHBondContact O-N 3.06Å
211E94.9Very high93.9Very high74 Ų7469.6 Ų69.635%0.34636%0.359SS..Hα-helixtrans-63.1-45.4179.4-74.1177.8-177.300111.8K207 W208 K213 Q214 S215K207-E211 WeakPolarHBondContact CE-OE1 3.42Å; K207-E211 IonicContact NZ-OE1 3.87Å; K207-E211 WeakPolarHBondContact O-CG 3.31Å; K207-E211 PolarHBondContact O-N 2.97Å; W208-E211 WeakPolarHBondContact CZ3-OE2 3.13Å; W208-E211 PolarHBondContact O-N 3.36Å; E211-K213 PolarHBondContact O-N 3.18Å; E211-Q214 PolarHBondContact O-N 3.37Å; E211-S215 WeakPolarHBondContact O-CB 3.48Å; E211-S215 PolarHBondContact O-N 3.27Å
212L92.7Very high93.9Very high21 Ų2171.6 Ų71.611%0.1137%0.369CS..Hα-helixtrans-62.5-43.5175.1-75.7169.4000111.6L155 I156 W208 Q214 S215 T216L155-L212 HydrophobicContact CB-CD2 4.09Å; I156-L212 HydrophobicContact CG1-CD1 4.31Å; I156-L212 HydrophobicContact CG1-CD2 3.95Å; W208-L212 WeakPolarHBondContact O-CB 3.08Å; W208-L212 WeakPolarHBondContact O-CG 3.35Å; W208-L212 PolarHBondContact O-N 3.15Å; L212-Q214 VanDerWaalsContact C-N 3.34Å; L212-Q214 PolarHBondContact O-N 2.85Å; L212-S215 PolarHBondContact O-N 3.15Å; L212-T216 WeakPolarHBondContact O-CB 3.37Å; L212-T216 VanDerWaalsContact O-CG2 3.24Å; L212-T216 WeakPolarHBondContact O-CG2 3.39Å; L212-T216 PolarHBondContact O-N 2.65Å; L212-T216 PolarHBondContact O-OG1 3.33Å
213K92Very high94Very high159 Ų15967.3 Ų67.369%0.69135%0.349SS*.Hα-helixtrans-63.1-41.2177.8-173.9176.7-179.2178.50111.9T209 S210 E211 T216 A217T209-K213 VanDerWaalsContact O-CB 3.24Å; T209-K213 WeakPolarHBondContact O-CB 3.36Å; T209-K213 PolarHBondContact O-N 3.21Å; S210-K213 PolarHBondContact O-N 3.07Å; E211-K213 PolarHBondContact O-N 3.18Å; K213-T216 WeakPolarHBondContact CA-OG1 3.42Å; K213-T216 PolarHBondContact O-OG1 3.33Å; K213-T216 VanDerWaalsContact O-OG1 3.11Å; K213-A217 VanDerWaalsContact O-CB 3.26Å; K213-A217 WeakPolarHBondContact O-CB 3.28Å; K213-A217 PolarHBondContact O-N 2.61Å; K213-A217 VanDerWaalsContact O-N 3.1Å
214Q94.3Very high93.9Very high123 Ų12362.5 Ų62.558%0.57532%0.323SS*.Hα-helixtrans-66.5-47.4176.9-177.6178.8-0.400111.3S210 E211 L212 A217 I218S210-Q214 WeakPolarHBondContact O-CB 3.42Å; S210-Q214 PolarHBondContact O-N 3.06Å; E211-Q214 PolarHBondContact O-N 3.37Å; L212-Q214 VanDerWaalsContact C-N 3.34Å; L212-Q214 PolarHBondContact O-N 2.85Å; Q214-A217 PolarHBondContact O-N 2.92Å; Q214-I218 HydrophobicContact CG-CD1 3.91Å; Q214-I218 WeakPolarHBondContact O-CG1 3.13Å; Q214-I218 PolarHBondContact O-N 2.92Å
215S94.6Very high93.7Very high27 Ų2766.1 Ų66.119%0.18934%0.339CS..Hα-helixtrans-61.2-50.1-179.9-172.50000111.5E211 L212 A217 I218 Q219E211-S215 WeakPolarHBondContact O-CB 3.48Å; E211-S215 PolarHBondContact O-N 3.27Å; L212-S215 PolarHBondContact O-N 3.15Å; S215-A217 VanDerWaalsContact C-N 3.32Å; S215-A217 PolarHBondContact O-N 3.47Å; S215-I218 PolarHBondContact O-N 3.1Å; S215-Q219 VanDerWaalsContact O-CG 3.29Å; S215-Q219 WeakPolarHBondContact O-CG 3.37Å; S215-Q219 PolarHBondContact O-N 3.13Å
216T93.9Very high93.7Very high40 Ų4067 Ų6725%0.24534%0.339CS..Hα-helixtrans-61.2-37.3177.653.10000112.7I152 L212 K213 K220 T353I152-T216 HydrophobicContact CD1-CG2 3.83Å; I152-T216 HydrophobicContact CG1-CG2 4.46Å; L212-T216 WeakPolarHBondContact O-CB 3.37Å; L212-T216 VanDerWaalsContact O-CG2 3.24Å; L212-T216 WeakPolarHBondContact O-CG2 3.39Å; L212-T216 PolarHBondContact O-N 2.65Å; L212-T216 PolarHBondContact O-OG1 3.33Å; K213-T216 WeakPolarHBondContact CA-OG1 3.42Å; K213-T216 PolarHBondContact O-OG1 3.33Å; K213-T216 VanDerWaalsContact O-OG1 3.11Å; T216-K220 VanDerWaalsContact O-CB 3.3Å; T216-K220 WeakPolarHBondContact O-CB 3.29Å; T216-K220 PolarHBondContact O-N 2.9Å; T216-T353 WeakPolarHBondContact CG2-OG1 3.49Å; T216-T353 WeakPolarHBondContact O-CG2 3.45Å
217A93.3Very high93.6Very high56 Ų5662.9 Ų62.946%0.46332%0.317SS..Hα-helixtrans-66.2-42.7175.700000112.7K213 Q214 S215 K220 Q221K213-A217 VanDerWaalsContact O-CB 3.26Å; K213-A217 WeakPolarHBondContact O-CB 3.28Å; K213-A217 PolarHBondContact O-N 2.61Å; K213-A217 VanDerWaalsContact O-N 3.1Å; Q214-A217 PolarHBondContact O-N 2.92Å; S215-A217 VanDerWaalsContact C-N 3.32Å; S215-A217 PolarHBondContact O-N 3.47Å; A217-K220 PolarHBondContact O-N 3.42Å; A217-Q221 PolarHBondContact O-N 3.34Å
218I94.4Very high93.4Very high72 Ų7260.1 Ų60.137%0.36931%0.307SS..Hα-helixtrans-63.6-50.1176.1-68.6166.7000110.1Q214 S215 K220 Q221 E222Q214-I218 HydrophobicContact CG-CD1 3.91Å; Q214-I218 WeakPolarHBondContact O-CG1 3.13Å; Q214-I218 PolarHBondContact O-N 2.92Å; S215-I218 PolarHBondContact O-N 3.1Å; I218-K220 VanDerWaalsContact C-N 3.27Å; I218-K220 PolarHBondContact O-N 3.12Å; I218-Q221 PolarHBondContact O-N 2.76Å; I218-E222 HydrophobicContact CG2-CG 4.15Å; I218-E222 WeakPolarHBondContact CG2-OE1 3.35Å; I218-E222 WeakPolarHBondContact O-CB 3.44Å; I218-E222 WeakPolarHBondContact O-CG 3.3Å; I218-E222 PolarHBondContact O-N 3.21Å
219Q94.6Very high93.1Very high9 Ų965.9 Ų65.94%0.04233%0.332CS..Hα-helixtrans-57.5-42.2178.2-68.8-176.4-8.100111.7Y148 I152 S215 Y223 T353 F355Y148-Q219 HydrophobicContact CD1-CB 3.89Å; Y148-Q219 VanDerWaalsContact CD1-CD 3.4Å; Y148-Q219 HydrophobicContact CD1-CG 3.4Å; Y148-Q219 HydrophobicContact CE1-CB 3.97Å; Y148-Q219 HydrophobicContact CE1-CG 3.61Å; Y148-Q219 HydrophobicContact CG-CB 4.25Å; Y148-Q219 HydrophobicContact CG-CG 4.15Å; I152-Q219 VanDerWaalsContact CG1-OE1 3.26Å; S215-Q219 VanDerWaalsContact O-CG 3.29Å; S215-Q219 WeakPolarHBondContact O-CG 3.37Å; S215-Q219 PolarHBondContact O-N 3.13Å; Q219-Y223 WeakPolarHBondContact O-CB 3.49Å; Q219-Y223 PolarHBondContact O-N 3.13Å; Q219-T353 HydrophobicContact CB-CG2 4.25Å; Q219-T353 PolarHBondContact OE1-OG1 3.05Å; Q219-F355 HydrophobicContact CB-CE1 4.32Å
220K94.4Very high92.9Very high49 Ų4962.2 Ų62.221%0.21331%0.309CS..Hα-helixtrans-59.6-50.5176.6-179.5170.4-173.3166.90111.6T216 A217 I218 Y223 Q224 T353 D354 F355 F357T216-K220 VanDerWaalsContact O-CB 3.3Å; T216-K220 WeakPolarHBondContact O-CB 3.29Å; T216-K220 PolarHBondContact O-N 2.9Å; A217-K220 PolarHBondContact O-N 3.42Å; I218-K220 VanDerWaalsContact C-N 3.27Å; I218-K220 PolarHBondContact O-N 3.12Å; K220-Y223 PolarHBondContact O-N 3.17Å; K220-Q224 VanDerWaalsContact O-CG 3.25Å; K220-Q224 WeakPolarHBondContact O-CG 3.45Å; K220-Q224 PolarHBondContact O-N 3.34Å; K220-T353 HydrophobicContact CB-CG2 4.18Å; K220-D354 WeakPolarHBondContact CD-O 3.35Å; K220-F355 WeakPolarHBondContact CE-O 3.32Å; K220-F357 PolarHBondContact NZ-O 3.09Å
221Q92.8Very high92.7Very high115 Ų11559.5 Ų59.554%0.53729%0.288SS..Hα-helixtrans-62-50.7179.8-176.9-177.4-9.300111.8A217 I218 Y223 Q224 E225A217-Q221 PolarHBondContact O-N 3.34Å; I218-Q221 PolarHBondContact O-N 2.76Å; Q221-Y223 VanDerWaalsContact C-N 3.3Å; Q221-Y223 PolarHBondContact O-N 2.89Å; Q221-Q224 PolarHBondContact O-N 2.98Å; Q221-E225 HydrophobicContact CG-CG 4.5Å; Q221-E225 WeakPolarHBondContact CG-OE1 3.49Å; Q221-E225 PolarHBondContact NE2-OE1 3.2Å; Q221-E225 WeakPolarHBondContact O-CG 3.25Å; Q221-E225 PolarHBondContact O-N 2.94Å
222E94.3Very high92.3Very high97 Ų9761.3 Ų61.345%0.45330%0.296SS..Hα-helixtrans-58.3-43179.8-73.5179.8172.200111.8Y148 I218 W226Y148-E222 WeakPolarHBondContact OH-CB 3.39Å; Y148-E222 PolarHBondContact OH-OE2 2.78Å; I218-E222 HydrophobicContact CG2-CG 4.15Å; I218-E222 WeakPolarHBondContact CG2-OE1 3.35Å; I218-E222 WeakPolarHBondContact O-CB 3.44Å; I218-E222 WeakPolarHBondContact O-CG 3.3Å; I218-E222 PolarHBondContact O-N 3.21Å; E222-W226 VanDerWaalsContact O-CB 3.23Å; E222-W226 WeakPolarHBondContact O-CB 3.29Å; E222-W226 PolarHBondContact O-N 2.94Å
223Y94.6Very high91.9Very high0 Ų061.8 Ų61.80%030%0.299CS..Hα-helixtrans-62-49.5177.5-175-103.1000111.5F125 Y129 L141 L144 E145 Y148 Q219 K220 Q221 E225 W226 V227 F355F125-Y223 HydrophobicContact CZ-CD1 4.36Å; F125-Y223 HydrophobicContact CZ-CE1 4.31Å; Y129-Y223 HydrophobicContact CE2-CE1 4.31Å; Y129-Y223 WeakPolarHBondContact CE2-OH 3.35Å; L141-Y223 HydrophobicContact CD2-CE2 4.44Å; L141-Y223 WeakPolarHBondContact CD2-OH 3.39Å; L144-Y223 HydrophobicContact CB-CE2 4.47Å; L144-Y223 HydrophobicContact CD2-CD2 3.68Å; L144-Y223 HydrophobicContact CD2-CE2 4Å; L144-Y223 HydrophobicContact CG-CD2 4.06Å; L144-Y223 HydrophobicContact CG-CE2 4.28Å; E145-Y223 HydrophobicContact CG-CD2 4.49Å; E145-Y223 HydrophobicContact CG-CE1 4.48Å; E145-Y223 HydrophobicContact CG-CE2 3.59Å; E145-Y223 VanDerWaalsContact CG-OH 3.28Å; E145-Y223 WeakPolarHBondContact CG-OH 3.03Å; E145-Y223 PolarHBondContact OE1-OH 3.32Å; Y148-Y223 HydrophobicContact CD2-CD2 4.44Å; Y148-Y223 HydrophobicContact CE2-CD2 4.1Å; Q219-Y223 WeakPolarHBondContact O-CB 3.49Å; Q219-Y223 PolarHBondContact O-N 3.13Å; K220-Y223 PolarHBondContact O-N 3.17Å; Q221-Y223 VanDerWaalsContact C-N 3.3Å; Q221-Y223 PolarHBondContact O-N 2.89Å; Y223-E225 PolarHBondContact O-N 3.09Å; Y223-W226 PolarHBondContact O-N 3.49Å; Y223-V227 HydrophobicContact CD1-CG2 3.93Å; Y223-V227 HydrophobicContact CD2-CG2 4.45Å; Y223-V227 HydrophobicContact CE1-CG2 3.68Å; Y223-V227 HydrophobicContact CE2-CG2 4.18Å; Y223-V227 HydrophobicContact CG-CG2 4.35Å; Y223-V227 WeakPolarHBondContact O-CB 3.5Å; Y223-V227 WeakPolarHBondContact O-CG2 3.2Å; Y223-V227 PolarHBondContact O-N 3.06Å; Y223-F355 VanDerWaalsContact CB-CD1 3.41Å; Y223-F355 HydrophobicContact CD1-CB 3.54Å; Y223-F355 AromaticContact CD1-CD1 3.49Å; Y223-F355 HydrophobicContact CD1-CD1 3.49Å; Y223-F355 VanDerWaalsContact CD1-CD1 3.49Å; Y223-F355 HydrophobicContact CD1-CD2 4.27Å; Y223-F355 HydrophobicContact CD1-CE1 4.28Å; Y223-F355 AromaticContact CD1-CG 3.5Å; Y223-F355 HydrophobicContact CD1-CG 3.5Å; Y223-F355 HydrophobicContact CD2-CD1 4.32Å; Y223-F355 HydrophobicContact CD2-CE1 4.32Å; Y223-F355 HydrophobicContact CE1-CB 3.79Å; Y223-F355 HydrophobicContact CE1-CD1 4.3Å; Y223-F355 HydrophobicContact CE1-CD2 4.28Å; Y223-F355 AromaticContact CE1-CG 3.87Å; Y223-F355 HydrophobicContact CE1-CG 3.87Å; Y223-F355 HydrophobicContact CG-CB 4.41Å; Y223-F355 AromaticContact CG-CD1 3.47Å; Y223-F355 HydrophobicContact CG-CD1 3.47Å; Y223-F355 VanDerWaalsContact CG-CD1 3.47Å; Y223-F355 AromaticContact CG-CE1 3.82Å; Y223-F355 HydrophobicContact CG-CE1 3.82Å; Y223-F355 AromaticContact CG-CG 3.91Å; Y223-F355 HydrophobicContact CG-CG 3.91Å
224Q93.3Very high91.4Very high10 Ų1057.2 Ų57.25%0.04728%0.281CS..Hα-helixtrans-63.7-41.3-177.9-67.9179.8-59.900111.8W121 F125 K220 Q221 I228 F355W121-Q224 HydrophobicContact CH2-CB 3.45Å; W121-Q224 VanDerWaalsContact CH2-CB 3.45Å; W121-Q224 HydrophobicContact CH2-CG 3.86Å; W121-Q224 HydrophobicContact CZ2-CB 3.88Å; W121-Q224 HydrophobicContact CZ3-CB 4.47Å; W121-Q224 VanDerWaalsContact CZ3-CD 3.42Å; W121-Q224 HydrophobicContact CZ3-CG 4.47Å; W121-Q224 VanDerWaalsContact CZ3-NE2 3.28Å; W121-Q224 VanDerWaalsContact CZ3-OE1 3.28Å; F125-Q224 HydrophobicContact CD2-CB 4.13Å; F125-Q224 HydrophobicContact CD2-CG 4.1Å; F125-Q224 HydrophobicContact CE1-CG 4.11Å; F125-Q224 HydrophobicContact CE2-CB 3.93Å; F125-Q224 HydrophobicContact CE2-CG 3.69Å; F125-Q224 HydrophobicContact CZ-CB 4.45Å; F125-Q224 HydrophobicContact CZ-CG 3.7Å; K220-Q224 VanDerWaalsContact O-CG 3.25Å; K220-Q224 WeakPolarHBondContact O-CG 3.45Å; K220-Q224 PolarHBondContact O-N 3.34Å; Q221-Q224 PolarHBondContact O-N 2.98Å; Q224-I228 WeakPolarHBondContact O-CG1 3.35Å; Q224-I228 PolarHBondContact O-N 3.15Å; Q224-F355 PolarHBondContact NE2-O 2.84Å; Q224-F355 VanDerWaalsContact NE2-O 3.08Å
225E91.2Very high90.7Very high107 Ų10757.6 Ų57.650%0.528%0.281SS..Hα-helixtrans-62.9-42.7173.7-72178-169.200112Q221 Y223 I228 K229Q221-E225 HydrophobicContact CG-CG 4.5Å; Q221-E225 WeakPolarHBondContact CG-OE1 3.49Å; Q221-E225 PolarHBondContact NE2-OE1 3.2Å; Q221-E225 WeakPolarHBondContact O-CG 3.25Å; Q221-E225 PolarHBondContact O-N 2.94Å; Y223-E225 PolarHBondContact O-N 3.09Å; E225-I228 PolarHBondContact O-N 2.97Å; E225-K229 WeakPolarHBondContact O-CB 3.28Å; E225-K229 PolarHBondContact O-N 3.24Å
226W92.8Very high89.9Confident90 Ų9060.6 Ų60.634%0.34130%0.295SS..Hα-helixtrans-65.2-44.2179-179.887.9000112.5L141 L144 E222 Y223 I228 K229 L230L141-W226 HydrophobicContact CD2-CE3 4.4Å; L141-W226 HydrophobicContact CD2-CZ3 3.63Å; L141-W226 HydrophobicContact CG-CZ3 4.22Å; L144-W226 HydrophobicContact CD2-CD2 3.64Å; L144-W226 HydrophobicContact CD2-CE3 3.51Å; L144-W226 HydrophobicContact CD2-CG 4.14Å; L144-W226 HydrophobicContact CD2-CH2 4.33Å; L144-W226 HydrophobicContact CD2-CZ2 4.46Å; L144-W226 HydrophobicContact CD2-CZ3 3.88Å; E222-W226 VanDerWaalsContact O-CB 3.23Å; E222-W226 WeakPolarHBondContact O-CB 3.29Å; E222-W226 PolarHBondContact O-N 2.94Å; Y223-W226 PolarHBondContact O-N 3.49Å; W226-I228 PolarHBondContact O-N 3.03Å; W226-K229 PolarHBondContact O-N 2.92Å; W226-L230 HydrophobicContact CE3-CD2 4.48Å; W226-L230 HydrophobicContact CH2-CD2 3.43Å; W226-L230 VanDerWaalsContact CH2-CD2 3.43Å; W226-L230 HydrophobicContact CZ2-CD2 3.9Å; W226-L230 HydrophobicContact CZ3-CD2 3.76Å; W226-L230 WeakPolarHBondContact O-CB 3.19Å; W226-L230 PolarHBondContact O-N 3Å
227V92.5Very high88.3Confident0 Ų064.3 Ų64.30%032%0.32CS..Hα-helixtrans-57.9-47.7176.9168.60000110.8F125 V128 L132 L141 Y223 K229 L230 H231F125-V227 HydrophobicContact CD2-CG1 4.26Å; F125-V227 HydrophobicContact CE2-CB 3.84Å; F125-V227 HydrophobicContact CE2-CG1 3.69Å; F125-V227 HydrophobicContact CE2-CG2 4.14Å; V128-V227 HydrophobicContact CG1-CG1 3.96Å; L132-V227 HydrophobicContact CD1-CG1 3.94Å; L132-V227 WeakPolarHBondContact CD1-O 3.3Å; L141-V227 HydrophobicContact CD2-CG2 3.63Å; Y223-V227 HydrophobicContact CD1-CG2 3.93Å; Y223-V227 HydrophobicContact CD2-CG2 4.45Å; Y223-V227 HydrophobicContact CE1-CG2 3.68Å; Y223-V227 HydrophobicContact CE2-CG2 4.18Å; Y223-V227 HydrophobicContact CG-CG2 4.35Å; Y223-V227 WeakPolarHBondContact O-CB 3.5Å; Y223-V227 WeakPolarHBondContact O-CG2 3.2Å; Y223-V227 PolarHBondContact O-N 3.06Å; V227-K229 PolarHBondContact O-N 3.03Å; V227-L230 PolarHBondContact O-N 2.88Å; V227-H231 PolarHBondContact O-N 3.44Å; V227-H231 VanDerWaalsContact O-N 3.08Å
228I89.8Confident86.7Confident40 Ų4069 Ų6921%0.20534%0.337CS..Hα-helixtrans-62.3-45.5178.6-68.1168.4000110.7W121 F125 Q224 E225 W226 H231 Q232W121-I228 HydrophobicContact CZ2-CD1 4.22Å; F125-I228 HydrophobicContact CD2-CG1 4.49Å; Q224-I228 WeakPolarHBondContact O-CG1 3.35Å; Q224-I228 PolarHBondContact O-N 3.15Å; E225-I228 PolarHBondContact O-N 2.97Å; W226-I228 PolarHBondContact O-N 3.03Å; I228-H231 PolarHBondContact O-N 3.5Å; I228-Q232 WeakPolarHBondContact O-CG 3.28Å; I228-Q232 PolarHBondContact O-N 3.45Å
229K88.9Confident84.9Confident129 Ų12969 Ų6956%0.56134%0.338SS*.Hα-helixtrans-61.7-45.1178.4-174.8-178.5176.3-174.80111.8E225 W226 V227 H231 Q232 D233E225-K229 WeakPolarHBondContact O-CB 3.28Å; E225-K229 PolarHBondContact O-N 3.24Å; W226-K229 PolarHBondContact O-N 2.92Å; V227-K229 PolarHBondContact O-N 3.03Å; K229-H231 VanDerWaalsContact C-N 3.29Å; K229-H231 PolarHBondContact O-N 3.27Å; K229-Q232 WeakPolarHBondContact O-CB 3.08Å; K229-Q232 PolarHBondContact O-N 3.38Å; K229-D233 PolarHBondContact O-N 3.16Å
230L88.5Confident82.9Confident12 Ų1271.9 Ų71.96%0.06336%0.359CS..Hα-helixtrans-59.2-41.6178.2178.360000111.7L132 A137 W226 V227 D233 L234 I242 I246L132-L230 HydrophobicContact CD1-CB 4.37Å; L132-L230 HydrophobicContact CD1-CD2 4.3Å; L132-L230 HydrophobicContact CD1-CG 4.32Å; L132-L230 HydrophobicContact CD2-CG 4.48Å; A137-L230 HydrophobicContact CB-CD2 4.08Å; W226-L230 HydrophobicContact CE3-CD2 4.48Å; W226-L230 HydrophobicContact CH2-CD2 3.43Å; W226-L230 VanDerWaalsContact CH2-CD2 3.43Å; W226-L230 HydrophobicContact CZ2-CD2 3.9Å; W226-L230 HydrophobicContact CZ3-CD2 3.76Å; W226-L230 WeakPolarHBondContact O-CB 3.19Å; W226-L230 PolarHBondContact O-N 3Å; V227-L230 PolarHBondContact O-N 2.88Å; L230-D233 PolarHBondContact O-N 3.14Å; L230-L234 HydrophobicContact CD1-CD1 4.14Å; L230-L234 HydrophobicContact CD1-CG 4.31Å; L230-L234 HydrophobicContact CG-CD1 4.14Å; L230-L234 WeakPolarHBondContact O-CG 3.06Å; L230-L234 PolarHBondContact O-N 3.49Å; L230-I242 HydrophobicContact CD1-CG2 4.31Å; L230-I246 HydrophobicContact CD1-CD1 4.14Å
231H89.2Confident81.2Confident19 Ų1973.2 Ų73.29%0.08838%0.375CS..Hα-helixtrans-64.5-41.8176-170.462.9000113.2V128 D131 L132 V227 I228 K229 D233 L234 K235V128-H231 HydrophobicContact CG1-CB 3.44Å; V128-H231 VanDerWaalsContact CG1-CB 3.44Å; D131-H231 IonicContact OD2-CE1 3.2Å; D131-H231 PolarHBondContact OD2-CE1 3.37Å; D131-H231 VanDerWaalsContact OD2-CE1 3.28Å; D131-H231 IonicContact OD2-NE2 3.61Å; L132-H231 HydrophobicContact CD1-CB 3.93Å; L132-H231 HydrophobicContact CD2-CB 4.28Å; L132-H231 HydrophobicContact CG-CB 4.19Å; V227-H231 PolarHBondContact O-N 3.44Å; V227-H231 VanDerWaalsContact O-N 3.08Å; I228-H231 PolarHBondContact O-N 3.5Å; K229-H231 VanDerWaalsContact C-N 3.29Å; K229-H231 PolarHBondContact O-N 3.27Å; H231-D233 VanDerWaalsContact C-N 3.33Å; H231-L234 PolarHBondContact O-N 2.8Å; H231-K235 WeakPolarHBondContact CE1-CE 3.45Å; H231-K235 PolarHBondContact CE1-NZ 2.99Å; H231-K235 VanDerWaalsContact NE2-CE 3.27Å; H231-K235 WeakPolarHBondContact NE2-CE 3.34Å; H231-K235 PolarHBondContact NE2-NZ 3.31Å; H231-K235 WeakPolarHBondContact O-CB 3.4Å; H231-K235 WeakPolarHBondContact O-CG 3.35Å; H231-K235 PolarHBondContact O-N 2.92Å
232Q86.6Confident79.3Confident113 Ų11370.4 Ų70.453%0.52836%0.363SS..Hα-helixtrans-62.9-42.1175.7-70.1173.42.300111.2I228 K229 K235 N236I228-Q232 WeakPolarHBondContact O-CG 3.28Å; I228-Q232 PolarHBondContact O-N 3.45Å; K229-Q232 WeakPolarHBondContact O-CB 3.08Å; K229-Q232 PolarHBondContact O-N 3.38Å; Q232-K235 PolarHBondContact O-N 3.2Å; Q232-N236 WeakPolarHBondContact O-CB 3.41Å; Q232-N236 VanDerWaalsContact O-CG 3.28Å; Q232-N236 PolarHBondContact O-N 2.84Å; Q232-N236 PolarHBondContact O-ND2 2.78Å; Q232-N236 VanDerWaalsContact O-ND2 3.15Å
233D84.3Confident77.4Confident30 Ų3067.1 Ų67.116%0.1635%0.351CS..Hα-helixtrans-65.2-41.1177.9-75.8-30.3000112K229 L230 H231 N236 N239K229-D233 PolarHBondContact O-N 3.16Å; L230-D233 PolarHBondContact O-N 3.14Å; H231-D233 VanDerWaalsContact C-N 3.33Å; D233-N236 PolarHBondContact O-N 3.05Å; D233-N239 PolarHBondContact OD1-ND2 2.7Å; D233-N239 VanDerWaalsContact OD1-ND2 3.13Å
234L81.9Confident75.4Confident63 Ų6371 Ų7133%0.3337%0.372SS..Hα-helixtrans-70.6-29.5177.2-74.6171.5000113.6L132 A137 L230 H231 N236 I246L132-L234 HydrophobicContact CD2-CD1 3.54Å; A137-L234 HydrophobicContact CB-CD1 4.14Å; L230-L234 HydrophobicContact CD1-CD1 4.14Å; L230-L234 HydrophobicContact CD1-CG 4.31Å; L230-L234 HydrophobicContact CG-CD1 4.14Å; L230-L234 WeakPolarHBondContact O-CG 3.06Å; L230-L234 PolarHBondContact O-N 3.49Å; H231-L234 PolarHBondContact O-N 2.8Å; L234-N236 VanDerWaalsContact C-N 3.32Å; L234-I246 HydrophobicContact CD2-CD1 4.41Å
235K79.6Confident73.6Confident131 Ų13177.4 Ų77.457%0.5740%0.401SS*.Hα-helixtrans-76.7-18.4174-76.7-176.5172.7176.90113.1H231 Q232 P237H231-K235 WeakPolarHBondContact CE1-CE 3.45Å; H231-K235 PolarHBondContact CE1-NZ 2.99Å; H231-K235 VanDerWaalsContact NE2-CE 3.27Å; H231-K235 WeakPolarHBondContact NE2-CE 3.34Å; H231-K235 PolarHBondContact NE2-NZ 3.31Å; H231-K235 WeakPolarHBondContact O-CB 3.4Å; H231-K235 WeakPolarHBondContact O-CG 3.35Å; H231-K235 PolarHBondContact O-N 2.92Å; Q232-K235 PolarHBondContact O-N 3.2Å; K235-P237 VanDerWaalsContact O-CD 3.31Å; K235-P237 WeakPolarHBondContact O-CD 3.47Å
236N77.8Confident71.9Confident90 Ų9073.7 Ų73.748%0.48139%0.385SS..  trans-90.4109.8-178.6-79.4-29.5000112Q232 D233 L234 N238 N239Q232-N236 WeakPolarHBondContact O-CB 3.41Å; Q232-N236 VanDerWaalsContact O-CG 3.28Å; Q232-N236 PolarHBondContact O-N 2.84Å; Q232-N236 PolarHBondContact O-ND2 2.78Å; Q232-N236 VanDerWaalsContact O-ND2 3.15Å; D233-N236 PolarHBondContact O-N 3.05Å; L234-N236 VanDerWaalsContact C-N 3.32Å; N236-N238 PolarHBondContact O-N 2.85Å; N236-N239 PolarHBondContact O-N 3.39Å
237P59.4Low69.9Low118 Ų11876.3 Ų76.377%0.76640%0.399SS*.THydrogen-bonded Turntrans-67.8-5.7-175.525.5-33.4000115.3K235K235-P237 VanDerWaalsContact O-CD 3.31Å; K235-P237 WeakPolarHBondContact O-CD 3.47Å
238N59.3Low67.7Low155 Ų15581.5 Ų81.583%0.82943%0.43SS*.THydrogen-bonded Turntrans-93.1-7.4179.5-70.2-15.7000114.1N236N236-N238 PolarHBondContact O-N 2.85Å
239N56.8Low65.4Low71 Ų7186 Ų8638%0.3845%0.45SS..  trans-10360.1178.7-92.4-10.6000111.4D233 N236 S241D233-N239 PolarHBondContact OD1-ND2 2.7Å; D233-N239 VanDerWaalsContact OD1-ND2 3.13Å; N236-N239 PolarHBondContact O-N 3.39Å; N239-S241 VanDerWaalsContact C-N 3.27Å; N239-S241 PolarHBondContact O-N 3.5Å
240S53.6Low62.9Low71 Ų7184.6 Ų84.650%0.49745%0.454SS..Hα-helixtrans-67.4-19.5-173.662.80000114.8S243 D244S240-S243 WeakPolarHBondContact CA-OG 3.48Å; S240-S243 PolarHBondContact O-OG 2.76Å; S240-D244 VanDerWaalsContact O-CB 3.27Å; S240-D244 WeakPolarHBondContact O-CB 3.48Å; S240-D244 PolarHBondContact O-N 2.86Å
241S57.1Low60.6Low76 Ų7692.6 Ų92.653%0.53149%0.491SS..Hα-helixtrans-66.8-40.8-175.759.80000113.6N239 E245N239-S241 VanDerWaalsContact C-N 3.27Å; N239-S241 PolarHBondContact O-N 3.5Å; S241-E245 WeakPolarHBondContact O-CG 3.27Å; S241-E245 PolarHBondContact O-N 2.88Å
242I54.5Low58.4Low56 Ų5698.7 Ų98.729%0.28752%0.524SS..Hα-helixtrans-75.9-40.1179.5-69.7169.6000110.6L230 D244 E245 I246L230-I242 HydrophobicContact CD1-CG2 4.31Å; I242-D244 VanDerWaalsContact C-N 3.26Å; I242-D244 PolarHBondContact O-N 3.33Å; I242-E245 PolarHBondContact O-N 3.43Å; I242-I246 HydrophobicContact CG2-CD1 3.71Å; I242-I246 HydrophobicContact CG2-CG1 4.44Å; I242-I246 VanDerWaalsContact O-CG1 3.31Å; I242-I246 WeakPolarHBondContact O-CG1 3.4Å; I242-I246 PolarHBondContact O-N 3.32Å
243S53.8Low55.9Low29 Ų29104.9 Ų104.920%0.20354%0.542CS..Hα-helixtrans-65-32.5176.662.50000112.5S240 K247S240-S243 WeakPolarHBondContact CA-OG 3.48Å; S240-S243 PolarHBondContact O-OG 2.76Å; S243-K247 VanDerWaalsContact O-CB 3.28Å; S243-K247 WeakPolarHBondContact O-CB 3.45Å; S243-K247 WeakPolarHBondContact O-CD 3.45Å; S243-K247 WeakPolarHBondContact O-CG 3.37Å; S243-K247 PolarHBondContact O-N 3.21Å; S243-K247 VanDerWaalsContact O-N 3.16Å
244D52.5Low53.6Low82 Ų82110.6 Ų110.644%0.43957%0.568SS.*Hα-helixtrans-78.2-39.1176.3-70.6-22.6000111.2S240 I242 I246 K247 V248S240-D244 VanDerWaalsContact O-CB 3.27Å; S240-D244 WeakPolarHBondContact O-CB 3.48Å; S240-D244 PolarHBondContact O-N 2.86Å; I242-D244 VanDerWaalsContact C-N 3.26Å; I242-D244 PolarHBondContact O-N 3.33Å; D244-I246 PolarHBondContact O-N 3.07Å; D244-K247 PolarHBondContact O-N 2.85Å; D244-V248 WeakPolarHBondContact O-CB 3.42Å; D244-V248 WeakPolarHBondContact O-CG2 3.22Å; D244-V248 PolarHBondContact O-N 3.41Å
245E55.3Low51.2Low143 Ų143112.7 Ų112.767%0.66859%0.588SS**Hα-helixtrans-61.8-41173.6-80.6-178.4173.500113.1S241 I242 V248S241-E245 WeakPolarHBondContact O-CG 3.27Å; S241-E245 PolarHBondContact O-N 2.88Å; I242-E245 PolarHBondContact O-N 3.43Å; E245-V248 PolarHBondContact O-N 2.97Å
246I56Low49.2Very low29 Ų29112.8 Ų112.815%0.14960%0.599CS.*Hα-helixtrans-70.4-33.7176.7-63.7169.5000111.2P136 T140 L230 L234 I242 D244P136-I246 HydrophobicContact CB-CG2 3.87Å; T140-I246 HydrophobicContact CG2-CG1 4.49Å; L230-I246 HydrophobicContact CD1-CD1 4.14Å; L234-I246 HydrophobicContact CD2-CD1 4.41Å; I242-I246 HydrophobicContact CG2-CD1 3.71Å; I242-I246 HydrophobicContact CG2-CG1 4.44Å; I242-I246 VanDerWaalsContact O-CG1 3.31Å; I242-I246 WeakPolarHBondContact O-CG1 3.4Å; I242-I246 PolarHBondContact O-N 3.32Å; D244-I246 PolarHBondContact O-N 3.07Å
247K50.7Low47.1Very low146 Ų146117.3 Ų117.364%0.63562%0.617SS**Hα-helixtrans-77.6-25.3175.3-77.6173.8-177.6172.30113.7S243 D244 Q249S243-K247 VanDerWaalsContact O-CB 3.28Å; S243-K247 WeakPolarHBondContact O-CB 3.45Å; S243-K247 WeakPolarHBondContact O-CD 3.45Å; S243-K247 WeakPolarHBondContact O-CG 3.37Å; S243-K247 PolarHBondContact O-N 3.21Å; S243-K247 VanDerWaalsContact O-N 3.16Å; D244-K247 PolarHBondContact O-N 2.85Å; K247-Q249 VanDerWaalsContact C-N 3.32Å
248V46.1Very low45.7Very low109 Ų109115.2 Ų115.266%0.66162%0.617SS**THydrogen-bonded Turntrans-90.810.8-175.1178.40000112.5D244 E245 P250D244-V248 WeakPolarHBondContact O-CB 3.42Å; D244-V248 WeakPolarHBondContact O-CG2 3.22Å; D244-V248 PolarHBondContact O-N 3.41Å; E245-V248 PolarHBondContact O-N 2.97Å; V248-P250 WeakPolarHBondContact O-CD 3.47Å
249Q41Very low44.8Very low135 Ų135116.7 Ų116.763%0.63163%0.625SS**  trans-95.973.9158.6-92.3177.2-18.500112.5K247K247-Q249 VanDerWaalsContact C-N 3.32Å
250P37.3Very low43.4Very low99 Ų99116.2 Ų116.264%0.64364%0.637SS**  trans-86.9126.3160.132.1-25.8000110.4V248V248-P250 WeakPolarHBondContact O-CD 3.47Å
251Q39.4Very low42.3Very low179 Ų179122.9 Ų122.984%0.83665%0.651SS**  trans67.6103.7150.6-58.5-177.9-15.700117.2R253Q251-R253 PolarHBondContact O-N 3Å
252L42.8Very low41Very low148 Ų148127.5 Ų127.578%0.77567%0.668SS**  trans8.186.9134.6-82146.3000114E254L252-E254 PolarHBondContact O-N 2.92Å; L252-E254 VanDerWaalsContact O-N 3.12Å
253R34.3Very low40Very low243 Ų243133.6 Ų133.692%0.91769%0.689SS**  trans-73.193.2145.4-88.6-173.9174-177-0.6105.9Q251 S255Q251-R253 PolarHBondContact O-N 3Å; R253-S255 PolarHBondContact O-N 2.64Å
254E37.3Very low39Very low150 Ų150140.4 Ų140.470%0.70172%0.718SS**  trans-52.7105.7160.5-73.9-178.5157.800107.6L252 V256L252-E254 PolarHBondContact O-N 2.92Å; L252-E254 VanDerWaalsContact O-N 3.12Å; E254-V256 HydrophobicContact CB-CG2 4.3Å; E254-V256 PolarHBondContact O-N 2.57Å
255S31.2Very low38.5Very low107 Ų107143.7 Ų143.775%0.74873%0.73SS**  trans-71.193.5159.528.70000105.8R253 E257R253-S255 PolarHBondContact O-N 2.64Å; S255-E257 PolarHBondContact O-N 2.79Å
256V37Very low37.9Very low132 Ų132144.9 Ų144.980%0.874%0.736SS**  trans-71.473.7166.2-174.20000107.3E254E254-V256 HydrophobicContact CB-CG2 4.3Å; E254-V256 PolarHBondContact O-N 2.57Å
257E34.2Very low37.7Very low186 Ų186153.9 Ų153.987%0.86977%0.768SS**  trans-130.5112.3167.4-77.8-166.4164.200109.3S255S255-E257 PolarHBondContact O-N 2.79Å
258G29.4Very low38.4Very low74 Ų74152.8 Ų152.876%0.76377%0.768SS**  trans141.378.416300000114.9G260G258-G260 PolarHBondContact O-N 3.48Å
259N39.9Very low40.3Very low185 Ų185148.3 Ų148.399%0.98974%0.741SS**  trans-49.7106.9151.7-94.2-21.2000109.4
260G28.5Very low42.7Very low62 Ų62145.6 Ų145.664%0.63973%0.728SS**  trans-159.183.5-178.100000111.8G258G258-G260 PolarHBondContact O-N 3.48Å
261R29.3Very low45.4Very low211 Ų211143.5 Ų143.580%0.79671%0.709SS**  trans36.3106.5157.9-60.8179.9-179.4174.7-0.5115.9Y263R261-Y263 HydrophobicContact CB-CD2 4.26Å; R261-Y263 PolarHBondContact O-N 2.73Å
262I31.3Very low48Very low172 Ų172138.3 Ų138.388%0.88269%0.693SS**  trans-57.177.1155-55.1163.1000107.4E264I262-E264 PolarHBondContact O-N 2.87Å
263Y32.1Very low50.3Low184 Ų184132.5 Ų132.572%0.72266%0.662SS**  trans-73.9116.8161.2-113.9-91.1000105.1R261 E265R261-Y263 HydrophobicContact CB-CD2 4.26Å; R261-Y263 PolarHBondContact O-N 2.73Å; Y263-E265 PolarHBondContact O-N 3.44Å
264E34Very low53.1Low173 Ų173123.4 Ų123.481%0.80863%0.633SS**  trans-26.9100.9177.4-65.1166.9152.300112.2I262 Q266I262-E264 PolarHBondContact O-N 2.87Å; E264-Q266 PolarHBondContact O-N 3.49Å
265E40.8Very low55.6Low150 Ų150116.2 Ų116.270%0.70160%0.6SS**  trans-58.2102.7147.1-110.4167.4-168.300103.8Y263 R267 R305Y263-E265 PolarHBondContact O-N 3.44Å; E265-R267 PolarHBondContact O-N 2.86Å; E265-R305 IonicContact OE1-NH1 3.44Å
266Q42.6Very low58.3Low168 Ų168114 Ų11479%0.78558%0.577SS**  trans-43117.9170.4-94.1172.7-36.900106.4E264 L268E264-Q266 PolarHBondContact O-N 3.49Å; Q266-L268 VanDerWaalsContact C-N 3.35Å; Q266-L268 PolarHBondContact O-N 2.85Å
267R51.8Low60.7Low218 Ų218107.9 Ų107.982%0.82354%0.54SS*.  trans-51.1104.7177.7-70.6179.2-171.2167.12.6107.1E265 L269 R291E265-R267 PolarHBondContact O-N 2.86Å; R267-L269 PolarHBondContact O-N 3.3Å; R267-L269 VanDerWaalsContact O-N 3.11Å; R267-R291 PolarHBondContact O-NH2 3.27Å
268L66.7Low62.7Low123 Ų123100.3 Ų100.364%0.64451%0.512SS*.  trans-64.8115.4172-72.9168.1000104.7Q266 E270Q266-L268 VanDerWaalsContact C-N 3.35Å; Q266-L268 PolarHBondContact O-N 2.85Å; L268-E270 PolarHBondContact O-N 3.48Å
269L85.7Confident64.5Low15 Ų15101.4 Ų101.48%0.07951%0.514CS..  trans-73.5103173-72.4175.1000106R267 L290 R291 E523 F526R267-L269 PolarHBondContact O-N 3.3Å; R267-L269 VanDerWaalsContact O-N 3.11Å; L269-L290 WeakPolarHBondContact O-CA 3.48Å; L269-R291 HydrophobicContact CB-CB 4Å; L269-R291 PolarHBondContact O-N 3.01Å; L269-E523 HydrophobicContact CD1-CB 3.92Å; L269-E523 HydrophobicContact CD1-CG 3.87Å; L269-F526 VanDerWaalsContact C-CZ 3.49Å; L269-F526 HydrophobicContact CB-CD1 3.88Å; L269-F526 HydrophobicContact CB-CD2 3.9Å; L269-F526 HydrophobicContact CB-CE1 3.78Å; L269-F526 HydrophobicContact CB-CE2 3.78Å; L269-F526 HydrophobicContact CB-CG 3.96Å; L269-F526 HydrophobicContact CB-CZ 3.73Å; L269-F526 HydrophobicContact CD1-CB 3.94Å; L269-F526 HydrophobicContact CD1-CD1 4.04Å; L269-F526 HydrophobicContact CD1-CD2 4.38Å; L269-F526 HydrophobicContact CD1-CG 3.86Å; L269-F526 HydrophobicContact CD2-CD1 4.49Å; L269-F526 HydrophobicContact CG-CD1 4.38Å; L269-F526 VanDerWaalsContact O-CE2 3.23Å; L269-F526 WeakPolarHBondContact O-CE2 3.4Å; L269-F526 VanDerWaalsContact O-CZ 3.28Å; L269-F526 WeakPolarHBondContact O-CZ 3.38Å
270E91.6Very high65.8Low79 Ų79102.1 Ų102.137%0.36951%0.512SS..EExtended strand (participates in β ladder)trans-131.4131.2179.3177-179.7164.100109.5L268 R288 L289 L290L268-E270 PolarHBondContact O-N 3.48Å; E270-R288 IonicContact OE1-CZ 3.24Å; E270-R288 IonicContact OE1-NE 3.88Å; E270-R288 PolarHBondContact OE1-NE 2.99Å; E270-R288 VanDerWaalsContact OE1-NE 3.16Å; E270-R288 IonicContact OE1-NH2 3.47Å; E270-R288 PolarHBondContact OE1-NH2 2.92Å; E270-L289 VanDerWaalsContact CA-O 3.31Å; E270-L289 WeakPolarHBondContact CA-O 3.19Å; E270-L290 HydrophobicContact CB-CD2 4.28Å; E270-L290 HydrophobicContact CB-CG 4.42Å; E270-L290 HydrophobicContact CG-CD2 3.84Å; E270-L290 HydrophobicContact CG-CG 3.98Å
271E92.8Very high67.7Low54 Ų54105.7 Ų105.725%0.25252%0.515SS..EExtended strand (participates in β ladder)trans-132.9139.3170.1-67.6-174.5-160.400110.4F273 R288 L289 F526 Y527 S530E271-F273 HydrophobicContact CB-CE2 3.72Å; E271-F273 HydrophobicContact CB-CZ 3.97Å; E271-F273 WeakPolarHBondContact OE2-CZ 3.14Å; E271-R288 CarbonylContact O-C 3.55Å; E271-R288 WeakPolarHBondContact O-CA 3.33Å; E271-L289 PolarHBondContact N-O 3.2Å; E271-L289 PolarHBondContact O-N 3.47Å; E271-F526 HydrophobicContact CG-CE1 4.19Å; E271-Y527 WeakPolarHBondContact OE1-CE1 3.43Å; E271-S530 WeakPolarHBondContact OE2-CB 3.5Å; E271-S530 PolarHBondContact OE2-OG 3.5Å
272S94.1Very high70.1Confident71 Ų71102.2 Ų102.250%0.49751%0.506SS..EExtended strand (participates in β ladder)trans-120.8138.1-178.7-66.90000110.8L287 R288S272-L287 CarbonylContact C-O 3.55Å; S272-L287 WeakPolarHBondContact CA-O 3.37Å; S272-R288 PolarHBondContact OG-NE 2.93Å; S272-R288 VanDerWaalsContact OG-NE 3.17Å
273F92.8Very high72.6Confident25 Ų2594.4 Ų94.411%0.1147%0.466CS..EExtended strand (participates in β ladder)trans-130.9128.7-175.2-56.1-95.2000110.2E271 I275 N286 L287 L533 P534 V539E271-F273 HydrophobicContact CB-CE2 3.72Å; E271-F273 HydrophobicContact CB-CZ 3.97Å; E271-F273 WeakPolarHBondContact OE2-CZ 3.14Å; F273-I275 HydrophobicContact CB-CG2 4.44Å; F273-N286 CarbonylContact O-C 3.41Å; F273-N286 WeakPolarHBondContact O-CA 3.38Å; F273-L287 HydrophobicContact CB-CB 4.37Å; F273-L287 PolarHBondContact N-O 3.06Å; F273-L287 PolarHBondContact O-N 3.21Å; F273-L533 HydrophobicContact CD2-CB 4.39Å; F273-L533 HydrophobicContact CD2-CD1 3.6Å; F273-L533 HydrophobicContact CE1-CB 4.48Å; F273-L533 HydrophobicContact CE2-CB 4.29Å; F273-L533 HydrophobicContact CE2-CD1 3.37Å; F273-L533 HydrophobicContact CE2-CG 4.46Å; F273-L533 HydrophobicContact CG-CD1 4.48Å; F273-L533 HydrophobicContact CZ-CB 4.33Å; F273-L533 HydrophobicContact CZ-CD1 4.09Å; F273-P534 HydrophobicContact CD1-CG 4.3Å; F273-P534 HydrophobicContact CE1-CG 3.91Å; F273-V539 HydrophobicContact CB-CG2 4.37Å; F273-V539 HydrophobicContact CD1-CG1 4.36Å; F273-V539 HydrophobicContact CD1-CG2 4.17Å
274T92.2Very high75.3Confident52 Ų5290.3 Ų90.332%0.31946%0.455SS..EExtended strand (participates in β ladder)trans-91.7121.2168.5-55.50000109.6M284 N286 S540T274-M284 HydrophobicContact CG2-CG 3.48Å; T274-M284 VanDerWaalsContact CG2-CG 3.48Å; T274-M284 HydrophobicContact CG2-SD 3.64Å; T274-N286 PolarHBondContact OG1-OD1 2.65Å; T274-S540 PolarHBondContact O-N 3.13Å
275I90.8Very high78Confident0 Ų082.2 Ų82.20%042%0.417CS..EExtended strand (participates in β ladder)trans-116.7154.2-175.862.8160.5000111.1F273 L277 M284 H285 L287 M499 F537 V539F273-I275 HydrophobicContact CB-CG2 4.44Å; I275-L277 HydrophobicContact CD1-CD1 3.93Å; I275-L277 HydrophobicContact CD1-CD2 4.03Å; I275-L277 HydrophobicContact CD1-CG 3.85Å; I275-M284 WeakPolarHBondContact O-CA 3.47Å; I275-H285 HydrophobicContact CD1-CB 4.23Å; I275-H285 HydrophobicContact CG1-CB 3.92Å; I275-H285 WeakPolarHBondContact CG1-O 3.49Å; I275-H285 PolarHBondContact N-O 2.94Å; I275-H285 PolarHBondContact O-N 3.01Å; I275-L287 HydrophobicContact CD1-CD1 3.88Å; I275-L287 HydrophobicContact CD1-CD2 3.83Å; I275-L287 HydrophobicContact CD1-CG 3.73Å; I275-L287 HydrophobicContact CG1-CD1 4.47Å; I275-L287 HydrophobicContact CG1-CG 4.08Å; I275-L287 HydrophobicContact CG2-CD1 3.91Å; I275-L287 HydrophobicContact CG2-CG 4.09Å; I275-M499 HydrophobicContact CD1-CE 4.5Å; I275-F537 HydrophobicContact CB-CB 4.37Å; I275-F537 HydrophobicContact CD1-CD1 3.53Å; I275-F537 HydrophobicContact CD1-CE1 3.98Å; I275-F537 HydrophobicContact CD1-CG 4.34Å; I275-F537 HydrophobicContact CG2-CB 3.67Å; I275-F537 HydrophobicContact CG2-CG 4.29Å; I275-V539 HydrophobicContact CG2-CG2 4.05Å
276H87.4Confident80.6Confident59 Ų5977.6 Ų77.627%0.27340%0.397SS..EExtended strand (participates in β ladder)trans-115.6123.9170.9-70.775.5000110.2K282 T283 R538 S540H276-K282 HydrophobicContact CB-CB 4.46Å; H276-K282 HydrophobicContact CB-CD 4.44Å; H276-T283 WeakPolarHBondContact CA-O 3.48Å; H276-R538 PolarHBondContact N-O 3.36Å; H276-S540 PolarHBondContact CE1-OG 3.38Å; H276-S540 PolarHBondContact ND1-OG 2.93Å
277L86.3Confident83.1Confident4 Ų469.6 Ų69.62%0.02136%0.36CS..EExtended strand (participates in β ladder)trans-113.4144.4178-62.9-178.2000110.5I275 K282 T283 K496 M499 M500 F537I275-L277 HydrophobicContact CD1-CD1 3.93Å; I275-L277 HydrophobicContact CD1-CD2 4.03Å; I275-L277 HydrophobicContact CD1-CG 3.85Å; L277-K282 CarbonylContact O-C 3.5Å; L277-K282 VanDerWaalsContact O-CA 3.26Å; L277-K282 WeakPolarHBondContact O-CA 3.41Å; L277-T283 PolarHBondContact N-O 3.17Å; L277-T283 PolarHBondContact O-N 3.46Å; L277-T283 PolarHBondContact O-OG1 3.45Å; L277-K496 HydrophobicContact CD2-CG 4.09Å; L277-M499 HydrophobicContact CD1-CB 3.48Å; L277-M499 VanDerWaalsContact CD1-CB 3.48Å; L277-M499 HydrophobicContact CD1-CE 3.82Å; L277-M499 HydrophobicContact CD1-CG 4.36Å; L277-M499 HydrophobicContact CD1-SD 4.02Å; L277-M500 HydrophobicContact CB-CG 4.18Å; L277-M500 HydrophobicContact CD2-CG 4.27Å; L277-F537 HydrophobicContact CD2-CD1 4.32Å
278G76.2Confident85.2Confident27 Ų2763.3 Ų63.328%0.27834%0.336SS..  trans112.6146.6-179.100000113.7
279A68.5Low86.6Confident98 Ų9857.4 Ų57.481%0.8131%0.305SS*.SBendtrans-88.5-42.4179.900000112.3
280Q65.9Low87Confident200 Ų20057.4 Ų57.494%0.93531%0.305SS*.SBendtrans-105.9-57.2-178.4-66.8177.8-9.500111.3
281L68.9Low87.1Confident137 Ų13755.7 Ų55.772%0.71730%0.295SS*.SBendtrans-99.7103.7175.5-157.1135.8000108.7T283L281-T283 HydrophobicContact CD2-CG2 4.15Å; L281-T283 PolarHBondContact O-N 2.87Å
282K80.6Confident86.9Confident137 Ų13753.7 Ų53.760%0.59629%0.288SS*.PPolyproline II helixtrans-81.4117-178.6-70.2-179.2-177.2174.60109.8H276 L277H276-K282 HydrophobicContact CB-CB 4.46Å; H276-K282 HydrophobicContact CB-CD 4.44Å; L277-K282 CarbonylContact O-C 3.5Å; L277-K282 VanDerWaalsContact O-CA 3.26Å; L277-K282 WeakPolarHBondContact O-CA 3.41Å
283T83.3Confident86.7Confident9 Ų952.5 Ų52.56%0.05528%0.276CS..EExtended strand (participates in β ladder)trans-95.2138171.756.40000109.7H276 L277 L281 H285H276-T283 WeakPolarHBondContact CA-O 3.48Å; L277-T283 PolarHBondContact N-O 3.17Å; L277-T283 PolarHBondContact O-N 3.46Å; L277-T283 PolarHBondContact O-OG1 3.45Å; L281-T283 HydrophobicContact CD2-CG2 4.15Å; L281-T283 PolarHBondContact O-N 2.87Å; T283-H285 WeakPolarHBondContact CB-NE2 3.42Å; T283-H285 PolarHBondContact OG1-CD2 3.45Å; T283-H285 PolarHBondContact OG1-NE2 3.15Å
284M88.1Confident86.5Confident97 Ų9751.8 Ų51.848%0.47827%0.273SS..EExtended strand (participates in β ladder)trans-89.7132.4177.2-171.1-170-62.100109.1T274 I275 S510T274-M284 HydrophobicContact CG2-CG 3.48Å; T274-M284 VanDerWaalsContact CG2-CG 3.48Å; T274-M284 HydrophobicContact CG2-SD 3.64Å; I275-M284 WeakPolarHBondContact O-CA 3.47Å; M284-S510 WeakPolarHBondContact O-CA 3.33Å; M284-S510 WeakPolarHBondContact O-CB 3.11Å; M284-S510 PolarHBondContact O-OG 3.06Å; M284-S510 VanDerWaalsContact O-OG 3.1Å
285H91.5Very high86.5Confident3 Ų349.7 Ų49.71%0.01426%0.26CS..EExtended strand (participates in β ladder)trans-136.7161.2175.2-58.6-76.6000110I275 T283 M499 I509 R511I275-H285 HydrophobicContact CD1-CB 4.23Å; I275-H285 HydrophobicContact CG1-CB 3.92Å; I275-H285 WeakPolarHBondContact CG1-O 3.49Å; I275-H285 PolarHBondContact N-O 2.94Å; I275-H285 PolarHBondContact O-N 3.01Å; T283-H285 WeakPolarHBondContact CB-NE2 3.42Å; T283-H285 PolarHBondContact OG1-CD2 3.45Å; T283-H285 PolarHBondContact OG1-NE2 3.15Å; H285-M499 HydrophobicContact CB-CE 3.69Å; H285-I509 PolarHBondContact CE1-O 2.98Å; H285-R511 WeakPolarHBondContact CA-O 3.31Å; H285-R511 WeakPolarHBondContact CB-O 3.42Å; H285-R511 PolarHBondContact ND1-N 3.28Å
286N94.4Very high86.4Confident53 Ų5353.5 Ų53.528%0.28328%0.28SS..EExtended strand (participates in β ladder)trans-108.7135.2175.4-66.5-54.8000110F273 T274 R511 T512 V513F273-N286 CarbonylContact O-C 3.41Å; F273-N286 WeakPolarHBondContact O-CA 3.38Å; T274-N286 PolarHBondContact OG1-OD1 2.65Å; N286-R511 PolarHBondContact N-O 2.77Å; N286-T512 HydrophobicContact CB-CG2 4.22Å; N286-T512 CarbonylContact O-C 3.52Å; N286-T512 VanDerWaalsContact O-CA 3.24Å; N286-T512 WeakPolarHBondContact O-CA 3.35Å; N286-V513 PolarHBondContact O-N 2.96Å
287L96.1Very high86.5Confident0 Ų051.5 Ų51.50%027%0.271CS..EExtended strand (participates in β ladder)trans-111.7141.1166.5-54.5-175.9000108.2S272 F273 I275 M499 V513 F515 L533 F537S272-L287 CarbonylContact C-O 3.55Å; S272-L287 WeakPolarHBondContact CA-O 3.37Å; F273-L287 HydrophobicContact CB-CB 4.37Å; F273-L287 PolarHBondContact N-O 3.06Å; F273-L287 PolarHBondContact O-N 3.21Å; I275-L287 HydrophobicContact CD1-CD1 3.88Å; I275-L287 HydrophobicContact CD1-CD2 3.83Å; I275-L287 HydrophobicContact CD1-CG 3.73Å; I275-L287 HydrophobicContact CG1-CD1 4.47Å; I275-L287 HydrophobicContact CG1-CG 4.08Å; I275-L287 HydrophobicContact CG2-CD1 3.91Å; I275-L287 HydrophobicContact CG2-CG 4.09Å; L287-M499 HydrophobicContact CD2-SD 4.41Å; L287-V513 CarbonylContact C-O 3.5Å; L287-V513 WeakPolarHBondContact CA-O 3.43Å; L287-V513 HydrophobicContact CD2-CB 3.89Å; L287-V513 HydrophobicContact CD2-CG2 4.45Å; L287-F515 HydrophobicContact CD1-CE2 4.36Å; L287-F515 HydrophobicContact CD2-CE2 4.09Å; L287-L533 HydrophobicContact CD1-CD2 3.77Å; L287-F537 HydrophobicContact CD1-CB 4.32Å; L287-F537 HydrophobicContact CD1-CD1 3.71Å; L287-F537 HydrophobicContact CD1-CD2 3.52Å; L287-F537 HydrophobicContact CD1-CE1 3.74Å; L287-F537 HydrophobicContact CD1-CE2 3.58Å; L287-F537 HydrophobicContact CD1-CG 3.58Å; L287-F537 HydrophobicContact CD1-CZ 3.69Å
288R95.6Very high86.8Confident86 Ų8651.3 Ų51.333%0.32527%0.27SS..EExtended strand (participates in β ladder)trans-127.3136.6171.9-48.8-177.290.1-179.45.3108.3E270 E271 S272 L290 T512 V513 Q514 F515E270-R288 IonicContact OE1-CZ 3.24Å; E270-R288 IonicContact OE1-NE 3.88Å; E270-R288 PolarHBondContact OE1-NE 2.99Å; E270-R288 VanDerWaalsContact OE1-NE 3.16Å; E270-R288 IonicContact OE1-NH2 3.47Å; E270-R288 PolarHBondContact OE1-NH2 2.92Å; E271-R288 CarbonylContact O-C 3.55Å; E271-R288 WeakPolarHBondContact O-CA 3.33Å; S272-R288 PolarHBondContact OG-NE 2.93Å; S272-R288 VanDerWaalsContact OG-NE 3.17Å; R288-L290 HydrophobicContact CB-CD1 3.7Å; R288-T512 HydrophobicContact CG-CG2 3.95Å; R288-V513 PolarHBondContact N-O 2.49Å; R288-Q514 HydrophobicContact CB-CB 4.48Å; R288-Q514 HydrophobicContact CB-CG 4.17Å; R288-Q514 HydrophobicContact CG-CG 4.36Å; R288-Q514 CarbonylContact O-C 3.57Å; R288-Q514 WeakPolarHBondContact O-CA 3.41Å; R288-F515 PolarHBondContact O-N 3.38Å
289L96.3Very high87.4Confident0 Ų053.4 Ų53.40%027%0.272CS..EExtended strand (participates in β ladder)trans-113.1121.9171.7-179.866000107.6E270 E271 L469 F515 V517 F526 L529 L533E270-L289 VanDerWaalsContact CA-O 3.31Å; E270-L289 WeakPolarHBondContact CA-O 3.19Å; E271-L289 PolarHBondContact N-O 3.2Å; E271-L289 PolarHBondContact O-N 3.47Å; L289-L469 HydrophobicContact CD1-CD2 3.76Å; L289-F515 WeakPolarHBondContact CA-O 3.35Å; L289-F515 HydrophobicContact CD1-CB 3.91Å; L289-V517 HydrophobicContact CD1-CG1 4.12Å; L289-F526 HydrophobicContact CB-CZ 4.44Å; L289-F526 HydrophobicContact CD2-CD2 4.44Å; L289-F526 HydrophobicContact CD2-CE1 4.47Å; L289-F526 HydrophobicContact CD2-CE2 4.03Å; L289-F526 HydrophobicContact CD2-CZ 4.03Å; L289-F526 HydrophobicContact CG-CD2 4.45Å; L289-F526 HydrophobicContact CG-CE2 3.73Å; L289-F526 HydrophobicContact CG-CZ 3.94Å; L289-L529 HydrophobicContact CD2-CB 4.13Å; L289-L533 HydrophobicContact CB-CD1 4.01Å; L289-L533 HydrophobicContact CD2-CD1 4.42Å
290L94.4Very high88Confident15 Ų1549.7 Ų49.78%0.07924%0.237CC..EExtended strand (participates in β ladder)trans-129.9138-175.3-56.6102000111.5L269 E270 R288 F297 Q514 F515 L516 V517L269-L290 WeakPolarHBondContact O-CA 3.48Å; E270-L290 HydrophobicContact CB-CD2 4.28Å; E270-L290 HydrophobicContact CB-CG 4.42Å; E270-L290 HydrophobicContact CG-CD2 3.84Å; E270-L290 HydrophobicContact CG-CG 3.98Å; R288-L290 HydrophobicContact CB-CD1 3.7Å; L290-F297 HydrophobicContact CD2-CZ 4.39Å; L290-Q514 HydrophobicContact CD1-CB 3.91Å; L290-Q514 HydrophobicContact CD1-CG 4.36Å; L290-F515 PolarHBondContact N-O 2.85Å; L290-L516 WeakPolarHBondContact O-CA 3.47Å; L290-V517 WeakPolarHBondContact O-CG2 3.17Å; L290-V517 PolarHBondContact O-N 2.87Å
291R92.4Very high88.3Confident42 Ų4246.7 Ų46.716%0.15822%0.221CC..EExtended strand (participates in β ladder)trans-92.6100.3164.6-177.9-179.170.1-178.4-5.9109.3R267 L269 V517 I521 E523 F526R267-R291 PolarHBondContact O-NH2 3.27Å; L269-R291 HydrophobicContact CB-CB 4Å; L269-R291 PolarHBondContact O-N 3.01Å; R291-V517 HydrophobicContact CB-CG2 4.07Å; R291-V517 HydrophobicContact CG-CG2 4.48Å; R291-I521 HydrophobicContact CG-CG2 4.1Å; R291-E523 IonicContact NH2-OE1 3.63Å; R291-F526 HydrophobicContact CB-CD2 4.08Å; R291-F526 HydrophobicContact CB-CE2 4.22Å
292A89.4Confident87.8Confident13 Ų1347.3 Ų47.311%0.10721%0.214CC..SBendtrans-158.4160.6-177.600000111.5F297 L516 V517A292-F297 HydrophobicContact CB-CE2 3.87Å; A292-F297 HydrophobicContact CB-CZ 4.3Å; A292-L516 HydrophobicContact CB-CD2 4.46Å; A292-V517 PolarHBondContact N-O 3.1Å
293D89.7Confident86.4Confident46 Ų4647.3 Ų47.325%0.24622%0.22CC..  trans-77.7138.2164-172.1-32.4000109.1L295 D296D293-L295 PolarHBondContact O-N 3.36Å; D293-L295 PolarHBondContact OD1-N 3.18Å; D293-D296 WeakPolarHBondContact O-CB 3.42Å; D293-D296 PolarHBondContact O-N 3.39Å
294M87.8Confident84.7Confident10 Ų1052 Ų525%0.04924%0.242CC..G310 helixtrans-58.9-36.4176.8-72.1-161.7-162.100113.4D296 F297 L327 L329 P468 H473 L516M294-D296 PolarHBondContact O-N 3.42Å; M294-F297 PolarHBondContact O-N 2.96Å; M294-L327 HydrophobicContact CB-CD1 4.19Å; M294-L327 HydrophobicContact CB-CD2 4.41Å; M294-L327 HydrophobicContact CG-CD1 4.22Å; M294-L327 HydrophobicContact SD-CD1 4.05Å; M294-L329 HydrophobicContact CB-CD2 4.33Å; M294-L329 HydrophobicContact SD-CD2 3.88Å; M294-P468 HydrophobicContact CE-CB 3.17Å; M294-P468 HydrophobicContact CE-CG 3.4Å; M294-H473 VanDerWaalsContact CE-CE1 3.47Å; M294-H473 WeakPolarHBondContact CE-CE1 3.32Å; M294-H473 WeakPolarHBondContact CE-ND1 3.4Å; M294-H473 PolarHBondContact SD-CE1 3.39Å; M294-L516 HydrophobicContact CG-CD2 4.2Å
295L92.4Very high82.8Confident7 Ų754.8 Ų54.84%0.03725%0.247CC..G310 helixtrans-73.1-14.9-176.8-62.3-173.8000112.3D293 F297 C298 K299 L329 I341 D344 F345D293-L295 PolarHBondContact O-N 3.36Å; D293-L295 PolarHBondContact OD1-N 3.18Å; L295-F297 PolarHBondContact O-N 3.29Å; L295-C298 WeakPolarHBondContact O-CA 3.36Å; L295-C298 WeakPolarHBondContact O-CB 3.48Å; L295-C298 PolarHBondContact O-N 3.4Å; L295-K299 WeakPolarHBondContact O-CG 2.85Å; L295-K299 PolarHBondContact O-N 3.26Å; L295-K299 VanDerWaalsContact O-N 3.09Å; L295-L329 HydrophobicContact CD2-CD2 4.37Å; L295-I341 HydrophobicContact CD1-CD1 3.72Å; L295-I341 HydrophobicContact CD2-CD1 4.31Å; L295-I341 HydrophobicContact CG-CD1 3.89Å; L295-D344 HydrophobicContact CD1-CB 3.65Å; L295-F345 HydrophobicContact CD2-CB 3.91Å; L295-F345 HydrophobicContact CD2-CD2 3.81Å; L295-F345 HydrophobicContact CD2-CG 4.36Å
296D89.4Confident80.7Confident80 Ų8059.3 Ų59.343%0.42828%0.279SS..G310 helixtrans-67.8-27.5177.5-68.1-15.3000112.3D293 M294 C298 K299D293-D296 WeakPolarHBondContact O-CB 3.42Å; D293-D296 PolarHBondContact O-N 3.39Å; M294-D296 PolarHBondContact O-N 3.42Å; D296-C298 PolarHBondContact O-N 3.38Å; D296-K299 IonicContact OD1-NZ 2.68Å; D296-K299 PolarHBondContact OD1-NZ 3.24Å
297F89.3Confident78.5Confident18 Ų1858.8 Ų58.88%0.07929%0.286CS..G310 helixtrans-71.9-17.8171.4-62.7-93.7000112.7L290 A292 M294 L295 E422 I423 L516L290-F297 HydrophobicContact CD2-CZ 4.39Å; A292-F297 HydrophobicContact CB-CE2 3.87Å; A292-F297 HydrophobicContact CB-CZ 4.3Å; M294-F297 PolarHBondContact O-N 2.96Å; L295-F297 PolarHBondContact O-N 3.29Å; F297-E422 HydrophobicContact CB-CB 4.38Å; F297-E422 WeakPolarHBondContact CD1-OE2 3.36Å; F297-E422 PolarHBondContact O-N 3.03Å; F297-I423 HydrophobicContact CB-CD1 4.23Å; F297-I423 HydrophobicContact CB-CG1 4Å; F297-L516 HydrophobicContact CD2-CD2 3.98Å; F297-L516 HydrophobicContact CE2-CD2 3.31Å; F297-L516 HydrophobicContact CE2-CG 4.48Å; F297-L516 HydrophobicContact CZ-CD2 3.98Å
298C91.9Very high76.4Confident0 Ų060.4 Ų60.40%030%0.296CS..THydrogen-bonded Turntrans-92.1-34.6-179.7-58.80000111.4L295 D296 V348 L420 S421L295-C298 WeakPolarHBondContact O-CA 3.36Å; L295-C298 WeakPolarHBondContact O-CB 3.48Å; L295-C298 PolarHBondContact O-N 3.4Å; D296-C298 PolarHBondContact O-N 3.38Å; C298-V348 HydrophobicContact CB-CG1 3.67Å; C298-L420 HydrophobicContact CB-CD1 4.32Å; C298-L420 HydrophobicContact CB-CD2 4.04Å; C298-S421 PolarHBondContact O-N 2.99Å
299K89.1Confident74.8Confident71 Ų7160.8 Ų60.831%0.30930%0.3SS..SBendtrans-75.9140.6-172-70.5167.2-166.1160.20113.2L295 D296 V348 S421L295-K299 WeakPolarHBondContact O-CG 2.85Å; L295-K299 PolarHBondContact O-N 3.26Å; L295-K299 VanDerWaalsContact O-N 3.09Å; D296-K299 IonicContact OD1-NZ 2.68Å; D296-K299 PolarHBondContact OD1-NZ 3.24Å; K299-V348 HydrophobicContact CB-CG1 4.47Å; K299-V348 HydrophobicContact CD-CG2 4.41Å; K299-V348 HydrophobicContact CG-CB 4.46Å; K299-V348 HydrophobicContact CG-CG1 3.81Å; K299-V348 HydrophobicContact CG-CG2 3.7Å; K299-S421 WeakPolarHBondContact O-CB 3.08Å
300H81.6Confident73.6Confident19 Ų1965.2 Ų65.29%0.08832%0.323CS..PPolyproline II helixtrans-82.2127.9167.2-72.976.2000110F149 R302 N419F149-H300 HydrophobicContact CD2-CB 4.23Å; F149-H300 HydrophobicContact CE1-CB 4.11Å; F149-H300 HydrophobicContact CE2-CB 3.61Å; F149-H300 HydrophobicContact CZ-CB 3.53Å; H300-R302 PolarHBondContact O-N 3.04Å; H300-N419 PolarHBondContact CE1-O 2.84Å
301K71.6Confident72.7Confident137 Ų13768.3 Ų68.360%0.59634%0.337SS*.PPolyproline II helixtrans-77121.5173.8-64.1-173.7-176.7174.90109.7N303 V308K301-N303 VanDerWaalsContact C-N 3.27Å; K301-N303 PolarHBondContact O-N 2.98Å; K301-V308 HydrophobicContact CB-CG1 4.07Å; K301-V308 HydrophobicContact CB-CG2 3.94Å; K301-V308 HydrophobicContact CD-CG2 3.88Å; K301-V308 HydrophobicContact CG-CG2 4.31Å
302R59.3Low72.2Confident150 Ų15067.4 Ų67.457%0.56633%0.334SS*.SBendtrans-63.3-27.1-178.4-68-176.2176.4-177.2-2.2114F149 H300F149-R302 HydrophobicContact CZ-CG 4.44Å; H300-R302 PolarHBondContact O-N 3.04Å
303N50.3Low72Confident137 Ų13769 Ų6973%0.73334%0.34SS*.SBendtrans-96.9116.6-177.9-69-16.2000111.4K301 R305K301-N303 VanDerWaalsContact C-N 3.27Å; K301-N303 PolarHBondContact O-N 2.98Å; N303-R305 PolarHBondContact O-N 2.98Å
304H48.2Very low71.9Confident108 Ų10871.5 Ų71.550%0.535%0.35SS..  trans-60.793.2174-90.434.4000111.6H146 K309H146-H304 AromaticContact CD2-CE1 3.65Å; H146-H304 AromaticContact CE1-CE1 3.56Å; H146-H304 AromaticContact NE2-CE1 3.21Å; H146-H304 PolarHBondContact NE2-CE1 3.24Å; H146-H304 AromaticContact NE2-ND1 3.93Å; H304-K309 VanDerWaalsContact CD2-CE 3.46Å; H304-K309 WeakPolarHBondContact CD2-CE 3.45Å; H304-K309 WeakPolarHBondContact NE2-CE 3.35Å
305R48Very low72Confident155 Ų15571.6 Ų71.659%0.58535%0.351SS*.  trans-107.2138.9150.9-69.6-173.7177.3-177.8-0.8107.5E265 N303 G307 V308E265-R305 IonicContact OE1-NH1 3.44Å; N303-R305 PolarHBondContact O-N 2.98Å; R305-G307 PolarHBondContact O-N 3.39Å; R305-V308 PolarHBondContact O-N 3.29Å
306S47.1Very low72Confident98 Ų9871.8 Ų71.869%0.68535%0.354SS*.Hα-helixtrans-50.3-22.5-170-53.70000115.8
307G47.8Very low72.1Confident43 Ų4371 Ų7144%0.44335%0.349SS..Hα-helixtrans-70.4-28.3176.800000115.6R305 L310 H311R305-G307 PolarHBondContact O-N 3.39Å; G307-L310 PolarHBondContact O-N 3.17Å; G307-H311 PolarHBondContact O-CD2 3.27Å
308V52Low72.2Confident34 Ų3471.4 Ų71.421%0.20635%0.353CS..Hα-helixtrans-73.1-32-177.8-1780000111.5K301 R305 L310 R312K301-V308 HydrophobicContact CB-CG1 4.07Å; K301-V308 HydrophobicContact CB-CG2 3.94Å; K301-V308 HydrophobicContact CD-CG2 3.88Å; K301-V308 HydrophobicContact CG-CG2 4.31Å; R305-V308 PolarHBondContact O-N 3.29Å; V308-L310 VanDerWaalsContact C-N 3.27Å; V308-L310 PolarHBondContact O-N 3.31Å; V308-R312 PolarHBondContact O-N 3.31Å
309K62.6Low72.3Confident94 Ų9472 Ų7241%0.40936%0.357SS..Hα-helixtrans-64.8-32.6173.9-70.3-166.2176.7-1640112H304 L313H304-K309 VanDerWaalsContact CD2-CE 3.46Å; H304-K309 WeakPolarHBondContact CD2-CE 3.45Å; H304-K309 WeakPolarHBondContact NE2-CE 3.35Å; K309-L313 VanDerWaalsContact O-CB 3.28Å; K309-L313 WeakPolarHBondContact O-CB 3.36Å; K309-L313 PolarHBondContact O-N 3.12Å
310L71Confident72.5Confident92 Ų9272.1 Ų72.148%0.48236%0.356SS..Hα-helixtrans-70-47.3-177.3-175.264000112.2G307 V308 R312 L313 Q314G307-L310 PolarHBondContact O-N 3.17Å; V308-L310 VanDerWaalsContact C-N 3.27Å; V308-L310 PolarHBondContact O-N 3.31Å; L310-R312 VanDerWaalsContact C-N 3.35Å; L310-R312 PolarHBondContact O-N 3.15Å; L310-L313 PolarHBondContact O-N 2.87Å; L310-Q314 VanDerWaalsContact O-CG 3.31Å; L310-Q314 WeakPolarHBondContact O-CG 3.11Å; L310-Q314 PolarHBondContact O-N 3.11Å
311H76.2Confident72.9Confident80 Ų8073 Ų7337%0.3736%0.364SS..Hα-helixtrans-62.6-43.4178.7-69.8-62.6000111.7G307 L313 Q314 T315 E422G307-H311 PolarHBondContact O-CD2 3.27Å; H311-L313 PolarHBondContact O-N 2.89Å; H311-Q314 WeakPolarHBondContact O-CB 3.46Å; H311-Q314 PolarHBondContact O-N 3.44Å; H311-T315 PolarHBondContact O-N 2.91Å; H311-T315 PolarHBondContact O-OG1 3.3Å; H311-E422 HydrophobicContact CB-CG 4.08Å
312R81.9Confident73.7Confident24 Ų2471.2 Ų71.29%0.09137%0.365CS..Hα-helixtrans-62.5-43.9175.8-173.1180177.7161.910.3112.3L142 E145 V308 L310 Q314 T315 A316L142-R312 HydrophobicContact CD2-CG 4.24Å; E145-R312 IonicContact OE2-CZ 3.74Å; E145-R312 IonicContact OE2-NE 2.7Å; E145-R312 IonicContact OE2-NH2 3.79Å; E145-R312 PolarHBondContact OE2-NH2 3.34Å; V308-R312 PolarHBondContact O-N 3.31Å; L310-R312 VanDerWaalsContact C-N 3.35Å; L310-R312 PolarHBondContact O-N 3.15Å; R312-Q314 VanDerWaalsContact C-N 3.32Å; R312-Q314 PolarHBondContact O-N 3.38Å; R312-T315 PolarHBondContact O-N 3.18Å; R312-A316 WeakPolarHBondContact O-CB 3.39Å; R312-A316 PolarHBondContact O-N 3.17Å
313L85.8Confident75.2Confident46 Ų4666.5 Ų66.524%0.24136%0.355CS..Hα-helixtrans-60.5-43.3175.7175.663.9000111.2I133 L142 K309 L310 H311 T315 A316 M317I133-L313 HydrophobicContact CD1-CD1 4.45Å; L142-L313 HydrophobicContact CD1-CB 3.77Å; L142-L313 HydrophobicContact CD1-CD1 3.56Å; L142-L313 HydrophobicContact CD1-CG 4.23Å; K309-L313 VanDerWaalsContact O-CB 3.28Å; K309-L313 WeakPolarHBondContact O-CB 3.36Å; K309-L313 PolarHBondContact O-N 3.12Å; L310-L313 PolarHBondContact O-N 2.87Å; H311-L313 PolarHBondContact O-N 2.89Å; L313-T315 PolarHBondContact O-N 3.42Å; L313-A316 PolarHBondContact O-N 3.05Å; L313-M317 HydrophobicContact CD1-CG 3.87Å; L313-M317 HydrophobicContact CD1-SD 3.86Å; L313-M317 HydrophobicContact CD2-SD 4.43Å; L313-M317 HydrophobicContact CG-CG 4.28Å; L313-M317 HydrophobicContact CG-SD 3.83Å; L313-M317 WeakPolarHBondContact O-CB 3.39Å; L313-M317 WeakPolarHBondContact O-CG 3.27Å; L313-M317 PolarHBondContact O-N 2.81Å
314Q86.7Confident77.3Confident98 Ų9861.4 Ų61.446%0.45833%0.327SS..Hα-helixtrans-60.4-44.6177-74.7174-18.300112.1L310 H311 R312 S318L310-Q314 VanDerWaalsContact O-CG 3.31Å; L310-Q314 WeakPolarHBondContact O-CG 3.11Å; L310-Q314 PolarHBondContact O-N 3.11Å; H311-Q314 WeakPolarHBondContact O-CB 3.46Å; H311-Q314 PolarHBondContact O-N 3.44Å; R312-Q314 VanDerWaalsContact C-N 3.32Å; R312-Q314 PolarHBondContact O-N 3.38Å; Q314-S318 WeakPolarHBondContact O-CB 3.44Å; Q314-S318 PolarHBondContact O-N 2.99Å; Q314-S318 VanDerWaalsContact O-N 3.11Å; Q314-S318 PolarHBondContact O-OG 3.09Å
315T90.3Very high79.7Confident12 Ų1257.5 Ų57.57%0.07431%0.312CS..Hα-helixtrans-62.4-51.3175.3-53.40000110.5H311 R312 L313 M317 S318 L319 S421 E422 H424H311-T315 PolarHBondContact O-N 2.91Å; H311-T315 PolarHBondContact O-OG1 3.3Å; R312-T315 PolarHBondContact O-N 3.18Å; L313-T315 PolarHBondContact O-N 3.42Å; T315-M317 PolarHBondContact O-N 2.98Å; T315-S318 PolarHBondContact O-N 3.06Å; T315-L319 PolarHBondContact O-N 3.1Å; T315-L319 VanDerWaalsContact O-N 3.1Å; T315-S421 WeakPolarHBondContact CB-O 3.32Å; T315-S421 PolarHBondContact OG1-O 3.41Å; T315-E422 WeakPolarHBondContact OG1-CA 3.3Å; T315-H424 WeakPolarHBondContact CG2-NE2 3.32Å; T315-H424 PolarHBondContact O-NE2 3.38Å
316A91.8Very high82Confident11 Ų1150.1 Ų50.19%0.09128%0.284CS..Hα-helixtrans-58-44.6179.400000112.9I133 L142 R312 L313 S318 L319I133-A316 HydrophobicContact CD1-CB 3.99Å; I133-A316 HydrophobicContact CG1-CB 4.05Å; L142-A316 HydrophobicContact CD2-CB 3.89Å; R312-A316 WeakPolarHBondContact O-CB 3.39Å; R312-A316 PolarHBondContact O-N 3.17Å; L313-A316 PolarHBondContact O-N 3.05Å; A316-S318 PolarHBondContact O-N 3.37Å; A316-L319 WeakPolarHBondContact O-CB 3.42Å; A316-L319 PolarHBondContact O-N 3.38Å
317M90.8Very high84.4Confident64 Ų6445.4 Ų45.432%0.31525%0.251SS..Hα-helixtrans-63.8-27.4175.5-72.9178.979.300112.9I133 H134 L313 T315I133-M317 HydrophobicContact CG1-CG 4.04Å; H134-M317 PolarHBondContact CE1-O 3.08Å; H134-M317 VanDerWaalsContact ND1-CE 3.27Å; H134-M317 WeakPolarHBondContact ND1-CE 3.34Å; H134-M317 PolarHBondContact NE2-O 3.21Å; L313-M317 HydrophobicContact CD1-CG 3.87Å; L313-M317 HydrophobicContact CD1-SD 3.86Å; L313-M317 HydrophobicContact CD2-SD 4.43Å; L313-M317 HydrophobicContact CG-CG 4.28Å; L313-M317 HydrophobicContact CG-SD 3.83Å; L313-M317 WeakPolarHBondContact O-CB 3.39Å; L313-M317 WeakPolarHBondContact O-CG 3.27Å; L313-M317 PolarHBondContact O-N 2.81Å; T315-M317 PolarHBondContact O-N 2.98Å
318S92.8Very high86.8Confident26 Ų2643.4 Ų43.418%0.18223%0.23CC..Hα-helixtrans-90.8-12.2-176.4-56.50000113.6Q314 T315 A316 Y320 S321 S323 L324Q314-S318 WeakPolarHBondContact O-CB 3.44Å; Q314-S318 PolarHBondContact O-N 2.99Å; Q314-S318 VanDerWaalsContact O-N 3.11Å; Q314-S318 PolarHBondContact O-OG 3.09Å; T315-S318 PolarHBondContact O-N 3.06Å; A316-S318 PolarHBondContact O-N 3.37Å; S318-Y320 VanDerWaalsContact C-N 3.31Å; S318-Y320 PolarHBondContact O-N 3.39Å; S318-S321 WeakPolarHBondContact CA-OG 3.49Å; S318-S321 WeakPolarHBondContact O-CB 3.47Å; S318-S321 PolarHBondContact O-N 3.1Å; S318-S321 PolarHBondContact O-OG 3.33Å; S318-S323 WeakPolarHBondContact CB-O 3.31Å; S318-L324 WeakPolarHBondContact O-CD2 3.31Å
319L93.8Very high89Confident13 Ų1341.8 Ų41.87%0.06822%0.221CC..THydrogen-bonded Turntrans-53.7-40.6-169.8-179.263.2000114.5Y129 T315 A316 H356 F357Y129-L319 HydrophobicContact CE1-CD2 4.14Å; T315-L319 PolarHBondContact O-N 3.1Å; T315-L319 VanDerWaalsContact O-N 3.1Å; A316-L319 WeakPolarHBondContact O-CB 3.42Å; A316-L319 PolarHBondContact O-N 3.38Å; L319-H356 HydrophobicContact CD2-CB 4.33Å; L319-F357 HydrophobicContact CD1-CE2 3.81Å; L319-F357 HydrophobicContact CD1-CZ 4.07Å
320Y92.3Very high90.5Very high73 Ų7337.8 Ų37.829%0.28620%0.203SC..THydrogen-bonded Turntrans-11119.9176.7-63.2-66.4000112.8A126 Y129 H130 S318 H356A126-Y320 HydrophobicContact CB-CD1 3.84Å; A126-Y320 HydrophobicContact CB-CD2 4.3Å; A126-Y320 HydrophobicContact CB-CE1 3.39Å; A126-Y320 HydrophobicContact CB-CE2 3.9Å; A126-Y320 HydrophobicContact CB-CG 4.27Å; A126-Y320 VanDerWaalsContact CB-CZ 3.4Å; Y129-Y320 AromaticContact CD1-CD2 3.96Å; Y129-Y320 HydrophobicContact CD1-CD2 3.96Å; Y129-Y320 AromaticContact CD1-CE2 3.87Å; Y129-Y320 HydrophobicContact CD1-CE2 3.87Å; Y129-Y320 HydrophobicContact CG-CE2 4.39Å; H130-Y320 HydrophobicContact CB-CD2 4.45Å; S318-Y320 VanDerWaalsContact C-N 3.31Å; S318-Y320 PolarHBondContact O-N 3.39Å; Y320-H356 AromaticContact CE2-CE1 3.8Å; Y320-H356 AromaticContact CE2-ND1 3.39Å; Y320-H356 WeakPolarHBondContact CE2-ND1 3.14Å; Y320-H356 AromaticContact CZ-ND1 3.44Å; Y320-H356 PolarHBondContact OH-ND1 3.46Å
321S89.5Confident91.7Very high37 Ų3733.7 Ų33.726%0.25918%0.182SC..THydrogen-bonded Turntrans-98.6179.3178.182.20000112.1S318 S323S318-S321 WeakPolarHBondContact CA-OG 3.49Å; S318-S321 WeakPolarHBondContact O-CB 3.47Å; S318-S321 PolarHBondContact O-N 3.1Å; S318-S321 PolarHBondContact O-OG 3.33Å; S321-S323 VanDerWaalsContact C-N 3.25Å; S321-S323 PolarHBondContact O-N 3.39Å; S321-S323 PolarHBondContact OG-N 3.3Å; S321-S323 VanDerWaalsContact OG-N 3.09Å
322T88.8Confident92.5Very high101 Ų10132.5 Ų32.562%0.6218%0.178SC*.THydrogen-bonded Turntrans-8823.3172.356.30000113.5D461 T463T322-D461 CarbonylContact C-O 3.59Å; T322-T463 WeakPolarHBondContact O-CG2 3.45Å
323S91.3Very high93Very high50 Ų5034.6 Ų34.635%0.3519%0.192SC..  trans-13566.4-178-176.80000112.6S318 S321 T463S318-S323 WeakPolarHBondContact CB-O 3.31Å; S321-S323 VanDerWaalsContact C-N 3.25Å; S321-S323 PolarHBondContact O-N 3.39Å; S321-S323 PolarHBondContact OG-N 3.3Å; S321-S323 VanDerWaalsContact OG-N 3.09Å; S323-T463 PolarHBondContact OG-OG1 2.81Å
324L95.4Very high93.3Very high31 Ų3140.1 Ų40.116%0.16221%0.209CC..EExtended strand (participates in β ladder)trans-84155.2-178.3-59.7175.6000113.1S318 H424 D461 I462 T463 T464S318-L324 WeakPolarHBondContact O-CD2 3.31Å; L324-H424 HydrophobicContact CD2-CB 4.2Å; L324-D461 PolarHBondContact N-O 3.01Å; L324-I462 HydrophobicContact CB-CB 4.42Å; L324-I462 HydrophobicContact CB-CG1 3.98Å; L324-I462 HydrophobicContact CD1-CG1 4.45Å; L324-I462 CarbonylContact O-C 3.57Å; L324-I462 WeakPolarHBondContact O-CA 3.31Å; L324-I462 WeakPolarHBondContact O-CG2 3.41Å; L324-T463 PolarHBondContact O-N 3.01Å; L324-T464 PolarHBondContact O-N 3.27Å
325C96.8Very high93.5Very high25 Ų2535.8 Ų35.817%0.16919%0.189CC..EExtended strand (participates in β ladder)trans-111.9128.3177.3-60.40000110.7E422 H424 V425 T464C325-E422 WeakPolarHBondContact CB-O 3.43Å; C325-H424 PolarHBondContact N-ND1 3.27Å; C325-H424 WeakPolarHBondContact O-CB 3.25Å; C325-H424 PolarHBondContact O-N 3.12Å; C325-V425 PolarHBondContact O-N 2.91Å; C325-V425 VanDerWaalsContact O-N 3.07Å; C325-T464 CarbonylContact C-O 3.59Å; C325-T464 WeakPolarHBondContact CA-O 3.44Å
326G97.5Very high93.5Very high0 Ų036.2 Ų36.20%019%0.193CC..EExtended strand (participates in β ladder)trans-115.4153.917900000113.7V425 T464 I465 S466G326-V425 CarbonylContact C-O 3.6Å; G326-V425 WeakPolarHBondContact CA-O 3.44Å; G326-T464 PolarHBondContact N-O 3.35Å; G326-I465 WeakPolarHBondContact O-CA 3.31Å; G326-S466 PolarHBondContact O-N 2.98Å
327L97.7Very high93.2Very high0 Ų036.5 Ų36.50%019%0.194CC..EExtended strand (participates in β ladder)trans-130.1138.2174-18066.6000110.6M294 L329 I423 V425 A426 F427M294-L327 HydrophobicContact CB-CD1 4.19Å; M294-L327 HydrophobicContact CB-CD2 4.41Å; M294-L327 HydrophobicContact CG-CD1 4.22Å; M294-L327 HydrophobicContact SD-CD1 4.05Å; L327-L329 HydrophobicContact CD2-CD2 3.89Å; L327-L329 HydrophobicContact CD2-CG 4.23Å; L327-L329 HydrophobicContact CG-CD2 4.29Å; L327-L329 HydrophobicContact CG-CG 4.43Å; L327-I423 HydrophobicContact CB-CD1 3.91Å; L327-I423 HydrophobicContact CB-CG1 4.05Å; L327-I423 HydrophobicContact CB-CG2 3.75Å; L327-I423 HydrophobicContact CD2-CG1 4.4Å; L327-V425 PolarHBondContact N-O 3.39Å; L327-A426 CarbonylContact O-C 3.58Å; L327-A426 WeakPolarHBondContact O-CA 3.49Å; L327-F427 PolarHBondContact O-N 2.93Å
328V98.4Very high92.8Very high0 Ų041.8 Ų41.80%021%0.212CC..EExtended strand (participates in β ladder)trans-102109.3174.8-175.60000111L330 F427 L429 L450 I453 I465 S466 I467 P468V328-L330 HydrophobicContact CG1-CD2 4.3Å; V328-F427 CarbonylContact C-O 3.5Å; V328-F427 WeakPolarHBondContact CA-O 3.49Å; V328-F427 HydrophobicContact CG2-CB 4.33Å; V328-L429 HydrophobicContact CG1-CB 4.05Å; V328-L429 HydrophobicContact CG1-CD2 4.3Å; V328-L450 HydrophobicContact CG1-CD2 3.96Å; V328-L450 HydrophobicContact CG2-CD2 4.25Å; V328-I453 HydrophobicContact CG1-CD1 3.99Å; V328-I453 HydrophobicContact CG2-CD1 4.22Å; V328-I453 HydrophobicContact CG2-CG2 4.04Å; V328-I465 HydrophobicContact CG2-CD1 3.85Å; V328-I465 HydrophobicContact CG2-CG1 4.28Å; V328-S466 PolarHBondContact N-O 3.4Å; V328-I467 HydrophobicContact CG2-CG1 4.21Å; V328-P468 WeakPolarHBondContact O-CD 3.48Å
329L96.9Very high92.5Very high1 Ų143.2 Ų43.21%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-96126.3172-63.3176000110.1M294 L295 L327 V331 I341 F345 A426 F427 H428 L429M294-L329 HydrophobicContact CB-CD2 4.33Å; M294-L329 HydrophobicContact SD-CD2 3.88Å; L295-L329 HydrophobicContact CD2-CD2 4.37Å; L327-L329 HydrophobicContact CD2-CD2 3.89Å; L327-L329 HydrophobicContact CD2-CG 4.23Å; L327-L329 HydrophobicContact CG-CD2 4.29Å; L327-L329 HydrophobicContact CG-CG 4.43Å; L329-V331 HydrophobicContact CB-CG1 4.4Å; L329-I341 HydrophobicContact CD2-CG1 4.36Å; L329-F345 HydrophobicContact CD1-CB 4.09Å; L329-F345 HydrophobicContact CD1-CD1 3.93Å; L329-F345 HydrophobicContact CD1-CD2 3.58Å; L329-F345 HydrophobicContact CD1-CE1 4.24Å; L329-F345 HydrophobicContact CD1-CE2 3.93Å; L329-F345 HydrophobicContact CD1-CG 3.58Å; L329-F345 HydrophobicContact CD1-CZ 4.24Å; L329-A426 HydrophobicContact CD1-CB 4.46Å; L329-F427 PolarHBondContact N-O 3.45Å; L329-H428 CarbonylContact O-C 3.54Å; L329-H428 WeakPolarHBondContact O-CA 3.1Å; L329-L429 PolarHBondContact O-N 3.5Å
330L95.8Very high92.2Very high9 Ų944.7 Ų44.75%0.04724%0.24CC..EExtended strand (participates in β ladder)trans-83.8126.1173.2-49.3176.9000109.7V328 I341 L429 V431 P468 L471 H473V328-L330 HydrophobicContact CG1-CD2 4.3Å; L330-I341 WeakPolarHBondContact O-CG2 3.25Å; L330-L429 WeakPolarHBondContact CA-O 3.28Å; L330-L429 HydrophobicContact CD2-CB 4.22Å; L330-L429 HydrophobicContact CD2-CD2 3.92Å; L330-L429 HydrophobicContact CD2-CG 4.34Å; L330-V431 HydrophobicContact CB-CG1 4.32Å; L330-V431 HydrophobicContact CB-CG2 3.88Å; L330-V431 HydrophobicContact CD2-CG1 3.92Å; L330-P468 HydrophobicContact CD1-CB 4.08Å; L330-P468 HydrophobicContact CD1-CG 3.72Å; L330-P468 HydrophobicContact CD2-CG 3.84Å; L330-P468 HydrophobicContact CG-CG 3.73Å; L330-L471 HydrophobicContact CD1-CB 4.33Å; L330-L471 WeakPolarHBondContact CD1-O 3.34Å; L330-H473 WeakPolarHBondContact CB-NE2 3.27Å; L330-H473 PolarHBondContact N-CE1 3.08Å; L330-H473 VanDerWaalsContact N-CE1 3.32Å; L330-H473 PolarHBondContact N-NE2 2.91Å; L330-H473 VanDerWaalsContact N-NE2 3.11Å; L330-H473 PolarHBondContact O-NE2 3.14Å
331V95.3Very high92.2Very high6 Ų642.7 Ų42.74%0.03623%0.234CC..EExtended strand (participates in β ladder)trans-134.9163-171.8-61.20000112.3L329 I341 K342 I407 Y413 H428 L429 C430 V431L329-V331 HydrophobicContact CB-CG1 4.4Å; V331-I341 HydrophobicContact CG1-CG2 4.46Å; V331-K342 HydrophobicContact CB-CD 3.93Å; V331-K342 HydrophobicContact CB-CG 4.05Å; V331-K342 HydrophobicContact CG1-CD 3.93Å; V331-K342 HydrophobicContact CG1-CG 3.53Å; V331-I407 HydrophobicContact CG2-CD1 4.49Å; V331-Y413 HydrophobicContact CG2-CE1 4.27Å; V331-H428 HydrophobicContact CG1-CB 4.19Å; V331-H428 HydrophobicContact CG2-CB 3.95Å; V331-L429 PolarHBondContact N-O 2.65Å; V331-C430 WeakPolarHBondContact O-CA 3.4Å; V331-V431 PolarHBondContact O-N 3.44Å
332D92.9Very high92.4Very high55 Ų5541.3 Ų41.329%0.29422%0.223SC..  trans-75.4177.217070.253.8000112.5R334 K342D332-R334 VanDerWaalsContact C-N 3.25Å; D332-R334 PolarHBondContact O-N 2.85Å; D332-R334 WeakPolarHBondContact OD1-CA 3.41Å; D332-R334 WeakPolarHBondContact OD1-CB 3.22Å; D332-R334 PolarHBondContact OD1-N 3.09Å; D332-K342 IonicContact OD1-NZ 2.87Å; D332-K342 PolarHBondContact OD1-NZ 3.22Å; D332-K342 WeakPolarHBondContact OD2-CE 3.03Å; D332-K342 IonicContact OD2-NZ 3Å; D332-K342 PolarHBondContact OD2-NZ 3.3Å
333N91.9Very high92.6Very high69 Ų6942.5 Ų42.537%0.36922%0.217SC..SBendtrans-74.2-6.4-17565.91.7000115.7N406 I407N333-N406 HydrophobicContact CB-CB 4.45Å; N333-N406 WeakPolarHBondContact O-CA 3.16Å; N333-N406 VanDerWaalsContact O-CB 3.3Å; N333-N406 WeakPolarHBondContact O-CB 2.9Å; N333-I407 VanDerWaalsContact CB-O 3.27Å; N333-I407 WeakPolarHBondContact CB-O 2.97Å; N333-I407 PolarHBondContact O-N 3.29Å; N333-I407 VanDerWaalsContact O-N 3.08Å
334R92Very high92.7Very high161 Ų16143 Ų4361%0.60822%0.215SC*.SBendtrans-96128.2-179.5-54.9-176.2-176.1-1780.2109.4D332 S336 K342D332-R334 VanDerWaalsContact C-N 3.25Å; D332-R334 PolarHBondContact O-N 2.85Å; D332-R334 WeakPolarHBondContact OD1-CA 3.41Å; D332-R334 WeakPolarHBondContact OD1-CB 3.22Å; D332-R334 PolarHBondContact OD1-N 3.09Å; R334-S336 PolarHBondContact O-N 3.41Å; R334-S336 VanDerWaalsContact O-N 3.1Å; R334-K342 PolarHBondContact O-NZ 3.08Å
335I91.3Very high92.8Very high7 Ų741.6 Ų41.64%0.03621%0.208CC..  trans-8193.8172.5-57.3157.1000107.3L364 V367 Q368 V371 S405 I407 Y413I335-L364 HydrophobicContact CG2-CB 4.28Å; I335-L364 HydrophobicContact CG2-CD2 3.81Å; I335-V367 HydrophobicContact CD1-CG1 3.95Å; I335-V367 HydrophobicContact CG1-CG1 4.42Å; I335-V367 HydrophobicContact CG2-CB 4.42Å; I335-V367 HydrophobicContact CG2-CG1 4.11Å; I335-Q368 HydrophobicContact CB-CG 3.87Å; I335-Q368 HydrophobicContact CD1-CG 4.12Å; I335-Q368 HydrophobicContact CG2-CG 3.78Å; I335-Q368 PolarHBondContact O-NE2 3.01Å; I335-V371 HydrophobicContact CD1-CB 4.31Å; I335-V371 HydrophobicContact CD1-CG2 3.9Å; I335-S405 WeakPolarHBondContact CD1-O 3.4Å; I335-I407 HydrophobicContact CD1-CG2 4Å; I335-I407 HydrophobicContact CG1-CG2 4.18Å; I335-Y413 HydrophobicContact CG1-CD1 4.29Å; I335-Y413 HydrophobicContact CG1-CE1 4.16Å
336S89.7Confident92.6Very high21 Ų2140.6 Ų40.615%0.14720%0.202CC..  trans-160.3163.5-175.767.10000111.6R334 K342R334-S336 PolarHBondContact O-N 3.41Å; R334-S336 VanDerWaalsContact O-N 3.1Å; S336-K342 WeakPolarHBondContact O-CB 3.42Å; S336-K342 WeakPolarHBondContact O-CD 3.45Å; S336-K342 WeakPolarHBondContact O-CE 3.49Å; S336-K342 PolarHBondContact OG-NZ 3.35Å
337S87Confident92.4Very high17 Ų1743 Ų4312%0.11922%0.217CC..SBendtrans-109.814.1179.547.20000113.7R343 Q361S337-R343 WeakPolarHBondContact O-CA 3.49Å; S337-R343 VanDerWaalsContact O-CB 3.25Å; S337-R343 WeakPolarHBondContact O-CB 3.28Å; S337-Q361 PolarHBondContact OG-OE1 3.19Å
338Y81.4Confident92.2Very high175 Ų17543.5 Ų43.569%0.68622%0.219SC*.SBendtrans-88.5-16.8-168.5-56.5-65.8000116.5
339S86.5Confident91.9Very high56 Ų5643.8 Ų43.839%0.39222%0.222SC..SBendtrans-142.9147.8-168.957.90000114.3K342S339-K342 PolarHBondContact O-N 3.07Å
340G88.7Confident91.7Very high45 Ų4547.6 Ų47.646%0.46424%0.239SC..Hα-helixtrans54.8-145.617600000112.9K342 R343 D344G340-K342 PolarHBondContact O-N 2.95Å; G340-K342 VanDerWaalsContact O-N 3.08Å; G340-R343 WeakPolarHBondContact O-CB 3.23Å; G340-R343 PolarHBondContact O-N 2.89Å; G340-D344 PolarHBondContact O-N 2.96Å
341I91.2Very high91.3Very high30 Ų3049 Ų4915%0.15425%0.245CC..Hα-helixtrans-56.4-28.3-178.7-162.670.5000113.5L295 L329 L330 V331 R343 D344 F345L295-I341 HydrophobicContact CD1-CD1 3.72Å; L295-I341 HydrophobicContact CD2-CD1 4.31Å; L295-I341 HydrophobicContact CG-CD1 3.89Å; L329-I341 HydrophobicContact CD2-CG1 4.36Å; L330-I341 WeakPolarHBondContact O-CG2 3.25Å; V331-I341 HydrophobicContact CG1-CG2 4.46Å; I341-R343 VanDerWaalsContact C-N 3.34Å; I341-R343 PolarHBondContact O-N 2.8Å; I341-D344 PolarHBondContact O-N 3.03Å; I341-F345 WeakPolarHBondContact O-CB 3.17Å; I341-F345 PolarHBondContact O-N 3.31Å
342K94Very high91Very high8 Ų848.8 Ų48.84%0.03525%0.245CC..Hα-helixtrans-66-38.2177.8-65.6-177.6-65.7178.70111.9V331 D332 R334 S336 S339 G340 A346V331-K342 HydrophobicContact CB-CD 3.93Å; V331-K342 HydrophobicContact CB-CG 4.05Å; V331-K342 HydrophobicContact CG1-CD 3.93Å; V331-K342 HydrophobicContact CG1-CG 3.53Å; D332-K342 IonicContact OD1-NZ 2.87Å; D332-K342 PolarHBondContact OD1-NZ 3.22Å; D332-K342 WeakPolarHBondContact OD2-CE 3.03Å; D332-K342 IonicContact OD2-NZ 3Å; D332-K342 PolarHBondContact OD2-NZ 3.3Å; R334-K342 PolarHBondContact O-NZ 3.08Å; S336-K342 WeakPolarHBondContact O-CB 3.42Å; S336-K342 WeakPolarHBondContact O-CD 3.45Å; S336-K342 WeakPolarHBondContact O-CE 3.49Å; S336-K342 PolarHBondContact OG-NZ 3.35Å; S339-K342 PolarHBondContact O-N 3.07Å; G340-K342 PolarHBondContact O-N 2.95Å; G340-K342 VanDerWaalsContact O-N 3.08Å; K342-A346 VanDerWaalsContact O-CB 3.25Å; K342-A346 WeakPolarHBondContact O-CB 3.19Å; K342-A346 PolarHBondContact O-N 3.32Å
343R93.8Very high91Very high126 Ų12646.4 Ų46.448%0.47523%0.232SC..Hα-helixtrans-67.9-48.5175.8-176.2-165.464.7-170.7-3.5110.1S337 G340 I341 F345 A346 T347S337-R343 WeakPolarHBondContact O-CA 3.49Å; S337-R343 VanDerWaalsContact O-CB 3.25Å; S337-R343 WeakPolarHBondContact O-CB 3.28Å; G340-R343 WeakPolarHBondContact O-CB 3.23Å; G340-R343 PolarHBondContact O-N 2.89Å; I341-R343 VanDerWaalsContact C-N 3.34Å; I341-R343 PolarHBondContact O-N 2.8Å; R343-F345 VanDerWaalsContact C-N 3.31Å; R343-F345 PolarHBondContact O-N 2.85Å; R343-A346 PolarHBondContact O-N 3.31Å; R343-A346 VanDerWaalsContact O-N 3.13Å; R343-T347 PolarHBondContact O-N 2.92Å; R343-T347 PolarHBondContact O-OG1 3Å; R343-T347 VanDerWaalsContact O-OG1 3.06Å
344D93.6Very high91.1Very high60 Ų6043.7 Ų43.732%0.32122%0.217SC..Hα-helixtrans-65.6-39-176.2-54.3-22.1000110.5L295 G340 I341 T347 V348L295-D344 HydrophobicContact CD1-CB 3.65Å; G340-D344 PolarHBondContact O-N 2.96Å; I341-D344 PolarHBondContact O-N 3.03Å; D344-T347 WeakPolarHBondContact O-CB 3.2Å; D344-T347 PolarHBondContact O-N 3.07Å; D344-V348 WeakPolarHBondContact O-CG2 3.42Å; D344-V348 PolarHBondContact O-N 2.97Å; D344-V348 VanDerWaalsContact O-N 3.09Å
345F95.7Very high91.2Very high2 Ų236.2 Ų36.21%0.00919%0.189CC..Hα-helixtrans-62-45.5170.1179.7-106.8000112.8L295 L329 I341 R343 T347 V348 C349 I360 H417 L420 A426 H428L295-F345 HydrophobicContact CD2-CB 3.91Å; L295-F345 HydrophobicContact CD2-CD2 3.81Å; L295-F345 HydrophobicContact CD2-CG 4.36Å; L329-F345 HydrophobicContact CD1-CB 4.09Å; L329-F345 HydrophobicContact CD1-CD1 3.93Å; L329-F345 HydrophobicContact CD1-CD2 3.58Å; L329-F345 HydrophobicContact CD1-CE1 4.24Å; L329-F345 HydrophobicContact CD1-CE2 3.93Å; L329-F345 HydrophobicContact CD1-CG 3.58Å; L329-F345 HydrophobicContact CD1-CZ 4.24Å; I341-F345 WeakPolarHBondContact O-CB 3.17Å; I341-F345 PolarHBondContact O-N 3.31Å; R343-F345 VanDerWaalsContact C-N 3.31Å; R343-F345 PolarHBondContact O-N 2.85Å; F345-T347 VanDerWaalsContact C-N 3.29Å; F345-T347 PolarHBondContact O-N 3.18Å; F345-V348 PolarHBondContact O-N 3.33Å; F345-C349 WeakPolarHBondContact CE1-SG 3.49Å; F345-C349 WeakPolarHBondContact CZ-SG 3.42Å; F345-C349 PolarHBondContact O-N 3.22Å; F345-C349 PolarHBondContact O-SG 2.78Å; F345-I360 HydrophobicContact CE1-CD1 4.16Å; F345-H417 AromaticContact CE1-NE2 3.76Å; F345-H417 AromaticContact CZ-CE1 3.95Å; F345-H417 AromaticContact CZ-NE2 3.47Å; F345-H417 WeakPolarHBondContact CZ-NE2 3.41Å; F345-L420 HydrophobicContact CE2-CD1 3.93Å; F345-L420 HydrophobicContact CZ-CD1 4.1Å; F345-A426 HydrophobicContact CE1-CB 4.26Å; F345-A426 HydrophobicContact CE2-CB 4.22Å; F345-A426 HydrophobicContact CZ-CB 3.62Å; F345-H428 AromaticContact CD1-CE1 3.78Å; F345-H428 AromaticContact CE1-CE1 3.67Å; F345-H428 AromaticContact CE1-NE2 3.93Å
346A94.3Very high91.3Very high5 Ų536.6 Ų36.64%0.04119%0.191CC..Hα-helixtrans-62.7-37.4178.100000112K342 R343 C349 Q350 I360K342-A346 VanDerWaalsContact O-CB 3.25Å; K342-A346 WeakPolarHBondContact O-CB 3.19Å; K342-A346 PolarHBondContact O-N 3.32Å; R343-A346 PolarHBondContact O-N 3.31Å; R343-A346 VanDerWaalsContact O-N 3.13Å; A346-C349 PolarHBondContact O-N 3.06Å; A346-Q350 VanDerWaalsContact O-CG 3.28Å; A346-Q350 WeakPolarHBondContact O-CG 3.44Å; A346-Q350 PolarHBondContact O-N 2.97Å; A346-Q350 VanDerWaalsContact O-N 3.13Å; A346-I360 HydrophobicContact CB-CG2 4.45Å
347T92.1Very high91.6Very high51 Ų5136.9 Ų36.931%0.31319%0.19SC..Hα-helixtrans-59.7-48.9172.3-58.30000110.7R343 D344 F345 C349 Q350 E351R343-T347 PolarHBondContact O-N 2.92Å; R343-T347 PolarHBondContact O-OG1 3Å; R343-T347 VanDerWaalsContact O-OG1 3.06Å; D344-T347 WeakPolarHBondContact O-CB 3.2Å; D344-T347 PolarHBondContact O-N 3.07Å; F345-T347 VanDerWaalsContact C-N 3.29Å; F345-T347 PolarHBondContact O-N 3.18Å; T347-C349 VanDerWaalsContact C-N 3.31Å; T347-C349 PolarHBondContact O-N 3.41Å; T347-Q350 WeakPolarHBondContact O-CB 3.42Å; T347-Q350 PolarHBondContact O-N 2.88Å; T347-E351 PolarHBondContact O-N 3Å
348V93.1Very high91.9Very high9 Ų937.7 Ų37.76%0.05519%0.194CC..Hα-helixtrans-60.3-41.1178176.10000111.5C298 K299 D344 F345 Q350 E351 L420C298-V348 HydrophobicContact CB-CG1 3.67Å; K299-V348 HydrophobicContact CB-CG1 4.47Å; K299-V348 HydrophobicContact CD-CG2 4.41Å; K299-V348 HydrophobicContact CG-CB 4.46Å; K299-V348 HydrophobicContact CG-CG1 3.81Å; K299-V348 HydrophobicContact CG-CG2 3.7Å; D344-V348 WeakPolarHBondContact O-CG2 3.42Å; D344-V348 PolarHBondContact O-N 2.97Å; D344-V348 VanDerWaalsContact O-N 3.09Å; F345-V348 PolarHBondContact O-N 3.33Å; V348-Q350 PolarHBondContact O-N 3.06Å; V348-E351 WeakPolarHBondContact O-CB 3.38Å; V348-E351 PolarHBondContact O-N 3.27Å; V348-L420 HydrophobicContact CG1-CD2 4.16Å
349C93.7Very high92.4Very high7 Ų731.3 Ų31.35%0.04718%0.182CC..Hα-helixtrans-64.8-21.3176.3-62.50000113.3F345 A346 T347 I360 H417 N419F345-C349 WeakPolarHBondContact CE1-SG 3.49Å; F345-C349 WeakPolarHBondContact CZ-SG 3.42Å; F345-C349 PolarHBondContact O-N 3.22Å; F345-C349 PolarHBondContact O-SG 2.78Å; A346-C349 PolarHBondContact O-N 3.06Å; T347-C349 VanDerWaalsContact C-N 3.31Å; T347-C349 PolarHBondContact O-N 3.41Å; C349-I360 HydrophobicContact CB-CB 4.13Å; C349-I360 HydrophobicContact CB-CG2 4.04Å; C349-H417 VanDerWaalsContact SG-CE1 3.54Å; C349-N419 PolarHBondContact O-ND2 3.38Å
350Q91Very high92.7Very high80 Ų8029.2 Ų29.237%0.37417%0.166SC..Hα-helixtrans-88.5-15.5178.4-73172.32.900112.6I152 I156 A346 T347 V348 C352I152-Q350 VanDerWaalsContact CG2-O 3.27Å; I152-Q350 WeakPolarHBondContact CG2-O 3.42Å; I156-Q350 WeakPolarHBondContact CD1-O 3.47Å; A346-Q350 VanDerWaalsContact O-CG 3.28Å; A346-Q350 WeakPolarHBondContact O-CG 3.44Å; A346-Q350 PolarHBondContact O-N 2.97Å; A346-Q350 VanDerWaalsContact O-N 3.13Å; T347-Q350 WeakPolarHBondContact O-CB 3.42Å; T347-Q350 PolarHBondContact O-N 2.88Å; V348-Q350 PolarHBondContact O-N 3.06Å; Q350-C352 PolarHBondContact O-N 2.91Å
351E89.1Confident92.9Very high38 Ų3830.7 Ų30.718%0.17816%0.161CC..SBendtrans-67-20.2-179.4-65.6-177.6165.500113.2F149 T347 V348F149-E351 WeakPolarHBondContact CD2-O 3.43Å; F149-E351 HydrophobicContact CE2-CB 4.14Å; T347-E351 PolarHBondContact O-N 3Å; V348-E351 WeakPolarHBondContact O-CB 3.38Å; V348-E351 PolarHBondContact O-N 3.27Å
352C89.1Confident93Very high3 Ų334.4 Ų34.42%0.0218%0.177CC..SBendtrans-134.7142.7179-167.90000110F149 Q350 N419F149-C352 HydrophobicContact CD2-CB 3.89Å; Q350-C352 PolarHBondContact O-N 2.91Å; C352-N419 HydrophobicContact CB-CB 4.01Å; C352-N419 PolarHBondContact O-ND2 2.87Å
353T92.7Very high93.1Very high4 Ų434.6 Ų34.63%0.02518%0.178CC..  trans-69.7134.3174.2-63.70000110.5T216 Q219 K220 F355 N419T216-T353 WeakPolarHBondContact CG2-OG1 3.49Å; T216-T353 WeakPolarHBondContact O-CG2 3.45Å; Q219-T353 HydrophobicContact CB-CG2 4.25Å; Q219-T353 PolarHBondContact OE1-OG1 3.05Å; K220-T353 HydrophobicContact CB-CG2 4.18Å; T353-F355 HydrophobicContact CG2-CD1 4.08Å; T353-F355 HydrophobicContact CG2-CE1 3.76Å; T353-F355 HydrophobicContact CG2-CZ 4.07Å; T353-F355 WeakPolarHBondContact O-CD2 3.43Å; T353-F355 WeakPolarHBondContact O-CE2 3.42Å; T353-N419 WeakPolarHBondContact O-CB 3.25Å
354D94.3Very high93.2Very high13 Ų1328.8 Ų28.87%0.0716%0.157CC..  trans-88111.6170.5-163.2-51.2000110.3K220 H356 F357 H417 S418 N419K220-D354 WeakPolarHBondContact CD-O 3.35Å; D354-H356 PolarHBondContact OD1-N 3.19Å; D354-F357 PolarHBondContact OD1-N 2.7Å; D354-H417 WeakPolarHBondContact OD2-CA 3.34Å; D354-S418 PolarHBondContact OD1-OG 2.97Å; D354-S418 PolarHBondContact OD2-N 2.83Å; D354-N419 HydrophobicContact CB-CB 4.11Å; D354-N419 PolarHBondContact OD2-OD1 2.94Å
355F93.9Very high93.2Very high3 Ų329.9 Ų29.91%0.01316%0.16CC..SBendtrans-84.5-14.6-175.5-60.1-73.1000113.3E145 Y148 Q219 K220 Y223 Q224 T353E145-F355 HydrophobicContact CB-CE2 4.06Å; E145-F355 HydrophobicContact CG-CD2 4.1Å; E145-F355 HydrophobicContact CG-CE2 3.9Å; Y148-F355 AromaticContact CD2-CE1 3.89Å; Y148-F355 HydrophobicContact CD2-CE1 3.89Å; Y148-F355 AromaticContact CD2-CZ 3.58Å; Y148-F355 HydrophobicContact CD2-CZ 3.58Å; Y148-F355 HydrophobicContact CE2-CE1 4.31Å; Y148-F355 HydrophobicContact CE2-CZ 4.43Å; Y148-F355 HydrophobicContact CG-CE1 4.48Å; Y148-F355 HydrophobicContact CG-CZ 4.03Å; Q219-F355 HydrophobicContact CB-CE1 4.32Å; K220-F355 WeakPolarHBondContact CE-O 3.32Å; Y223-F355 VanDerWaalsContact CB-CD1 3.41Å; Y223-F355 HydrophobicContact CD1-CB 3.54Å; Y223-F355 AromaticContact CD1-CD1 3.49Å; Y223-F355 HydrophobicContact CD1-CD1 3.49Å; Y223-F355 VanDerWaalsContact CD1-CD1 3.49Å; Y223-F355 HydrophobicContact CD1-CD2 4.27Å; Y223-F355 HydrophobicContact CD1-CE1 4.28Å; Y223-F355 AromaticContact CD1-CG 3.5Å; Y223-F355 HydrophobicContact CD1-CG 3.5Å; Y223-F355 HydrophobicContact CD2-CD1 4.32Å; Y223-F355 HydrophobicContact CD2-CE1 4.32Å; Y223-F355 HydrophobicContact CE1-CB 3.79Å; Y223-F355 HydrophobicContact CE1-CD1 4.3Å; Y223-F355 HydrophobicContact CE1-CD2 4.28Å; Y223-F355 AromaticContact CE1-CG 3.87Å; Y223-F355 HydrophobicContact CE1-CG 3.87Å; Y223-F355 HydrophobicContact CG-CB 4.41Å; Y223-F355 AromaticContact CG-CD1 3.47Å; Y223-F355 HydrophobicContact CG-CD1 3.47Å; Y223-F355 VanDerWaalsContact CG-CD1 3.47Å; Y223-F355 AromaticContact CG-CE1 3.82Å; Y223-F355 HydrophobicContact CG-CE1 3.82Å; Y223-F355 AromaticContact CG-CG 3.91Å; Y223-F355 HydrophobicContact CG-CG 3.91Å; Q224-F355 PolarHBondContact NE2-O 2.84Å; Q224-F355 VanDerWaalsContact NE2-O 3.08Å; T353-F355 HydrophobicContact CG2-CD1 4.08Å; T353-F355 HydrophobicContact CG2-CE1 3.76Å; T353-F355 HydrophobicContact CG2-CZ 4.07Å; T353-F355 WeakPolarHBondContact O-CD2 3.43Å; T353-F355 WeakPolarHBondContact O-CE2 3.42Å
356H93.4Very high93.2Very high15 Ų1533.4 Ų33.47%0.06918%0.178CC..SBendtrans-115.9-32.5-169-63.9-99.7000112.5F125 Y129 L319 Y320 D354 S418F125-H356 AromaticContact CE1-CE1 3.53Å; F125-H356 AromaticContact CE1-ND1 3.42Å; F125-H356 WeakPolarHBondContact CE1-ND1 3.4Å; F125-H356 AromaticContact CZ-CE1 3.84Å; Y129-H356 AromaticContact CD1-CE1 3.61Å; Y129-H356 AromaticContact CD2-CE1 3.52Å; Y129-H356 AromaticContact CD2-NE2 3.87Å; Y129-H356 AromaticContact CE1-CE1 3.79Å; Y129-H356 AromaticContact CE2-CE1 3.69Å; Y129-H356 AromaticContact CE2-NE2 3.62Å; Y129-H356 AromaticContact CG-CE1 3.46Å; Y129-H356 VanDerWaalsContact CG-CE1 3.46Å; Y129-H356 AromaticContact CZ-CE1 3.81Å; Y129-H356 AromaticContact CZ-NE2 3.73Å; L319-H356 HydrophobicContact CD2-CB 4.33Å; Y320-H356 AromaticContact CE2-CE1 3.8Å; Y320-H356 AromaticContact CE2-ND1 3.39Å; Y320-H356 WeakPolarHBondContact CE2-ND1 3.14Å; Y320-H356 AromaticContact CZ-ND1 3.44Å; Y320-H356 PolarHBondContact OH-ND1 3.46Å; D354-H356 PolarHBondContact OD1-N 3.19Å; H356-S418 VanDerWaalsContact CD2-CB 3.45Å; H356-S418 WeakPolarHBondContact CD2-CB 3.46Å; H356-S418 PolarHBondContact CD2-OG 3.35Å
357F94Very high93.2Very high28 Ų2834.1 Ų34.112%0.12318%0.182CC..SBendtrans-120.9165.2-176-54-62.4000111.3K220 L319 D354 R416K220-F357 PolarHBondContact NZ-O 3.09Å; L319-F357 HydrophobicContact CD1-CE2 3.81Å; L319-F357 HydrophobicContact CD1-CZ 4.07Å; D354-F357 PolarHBondContact OD1-N 2.7Å; F357-R416 HydrophobicContact CD1-CB 4.15Å; F357-R416 HydrophobicContact CD2-CB 4Å; F357-R416 HydrophobicContact CE1-CB 4.28Å; F357-R416 HydrophobicContact CE2-CB 4.1Å; F357-R416 HydrophobicContact CG-CB 4.01Å; F357-R416 HydrophobicContact CZ-CB 4.26Å
358P93.3Very high93.3Very high33 Ų3335.2 Ų35.221%0.21418%0.184CC..  trans-61.2149.4167.3-24.535.8000111.6E362 Q363P358-E362 HydrophobicContact CB-CB 4.03Å; P358-E362 HydrophobicContact CB-CG 4Å; P358-Q363 HydrophobicContact CB-CG 4.09Å; P358-Q363 WeakPolarHBondContact O-CG 3.22Å; P358-Q363 PolarHBondContact O-NE2 3.01Å
359G92.2Very high93.2Very high41 Ų4141.4 Ų41.442%0.42321%0.21SC..  trans-61.4159.1175.300000112.6Q361 E362 Q363G359-Q361 PolarHBondContact O-N 2.91Å; G359-Q361 VanDerWaalsContact O-N 3.08Å; G359-E362 PolarHBondContact O-N 2.87Å; G359-Q363 PolarHBondContact O-N 2.72Å
360I94.1Very high93.1Very high13 Ų1345.2 Ų45.27%0.06723%0.233CC..Hα-helixtrans-50.7-40.5-175.4-177.757.2000113.1F345 A346 C349 Q363 L364 T415F345-I360 HydrophobicContact CE1-CD1 4.16Å; A346-I360 HydrophobicContact CB-CG2 4.45Å; C349-I360 HydrophobicContact CB-CB 4.13Å; C349-I360 HydrophobicContact CB-CG2 4.04Å; I360-Q363 PolarHBondContact O-N 3.39Å; I360-L364 HydrophobicContact CD1-CD1 4.48Å; I360-L364 HydrophobicContact CD1-CG 4.21Å; I360-L364 HydrophobicContact CG1-CD1 4.28Å; I360-L364 HydrophobicContact CG1-CG 4.45Å; I360-L364 VanDerWaalsContact O-CG 3.3Å; I360-L364 WeakPolarHBondContact O-CG 3.37Å; I360-L364 PolarHBondContact O-N 3.41Å; I360-T415 HydrophobicContact CD1-CG2 3.7Å
361Q92.5Very high93.1Very high75 Ų7542.4 Ų42.435%0.3522%0.221SC..Hα-helixtrans-64.7-44.5-178.4-172.358.932.500112.2S337 G359 L364 E365S337-Q361 PolarHBondContact OG-OE1 3.19Å; G359-Q361 PolarHBondContact O-N 2.91Å; G359-Q361 VanDerWaalsContact O-N 3.08Å; Q361-L364 PolarHBondContact O-N 2.71Å; Q361-E365 WeakPolarHBondContact O-CG 3.21Å; Q361-E365 PolarHBondContact O-N 3.35Å; Q361-E365 VanDerWaalsContact O-N 3.09Å
362E94Very high93.1Very high108 Ų10844.1 Ų44.151%0.50523%0.231SC..Hα-helixtrans-66.1-40.1177.4-174177.2172.400111.1P358 G359 L364 E365 I366P358-E362 HydrophobicContact CB-CB 4.03Å; P358-E362 HydrophobicContact CB-CG 4Å; G359-E362 PolarHBondContact O-N 2.87Å; E362-L364 VanDerWaalsContact C-N 3.33Å; E362-L364 PolarHBondContact O-N 2.89Å; E362-E365 PolarHBondContact O-N 2.78Å; E362-I366 HydrophobicContact CG-CD1 4.22Å; E362-I366 VanDerWaalsContact O-CG1 3.31Å; E362-I366 WeakPolarHBondContact O-CG1 3.41Å; E362-I366 PolarHBondContact O-N 2.85Å
363Q96.1Very high93Very high12 Ų1250.6 Ų50.66%0.05626%0.259CS..Hα-helixtrans-59.9-42.5173.9-66.3-17058.900111.9P358 G359 I360 E365 I366 V367 T415 R416P358-Q363 HydrophobicContact CB-CG 4.09Å; P358-Q363 WeakPolarHBondContact O-CG 3.22Å; P358-Q363 PolarHBondContact O-NE2 3.01Å; G359-Q363 PolarHBondContact O-N 2.72Å; I360-Q363 PolarHBondContact O-N 3.39Å; Q363-E365 PolarHBondContact O-N 3.46Å; Q363-I366 PolarHBondContact O-N 2.78Å; Q363-V367 VanDerWaalsContact O-CG2 3.26Å; Q363-V367 WeakPolarHBondContact O-CG2 3.41Å; Q363-V367 PolarHBondContact O-N 3.49Å; Q363-T415 HydrophobicContact CB-CG2 4.32Å; Q363-T415 VanDerWaalsContact OE1-CA 3.23Å; Q363-R416 PolarHBondContact NE2-O 3.37Å; Q363-R416 PolarHBondContact OE1-O 2.99Å
364L94.9Very high92.8Very high5 Ų551.8 Ų51.83%0.02627%0.269CS..Hα-helixtrans-63.6-39.5176.9-68.3175.3000112.1I335 I360 Q361 E362 V367 Q368 Y413I335-L364 HydrophobicContact CG2-CB 4.28Å; I335-L364 HydrophobicContact CG2-CD2 3.81Å; I360-L364 HydrophobicContact CD1-CD1 4.48Å; I360-L364 HydrophobicContact CD1-CG 4.21Å; I360-L364 HydrophobicContact CG1-CD1 4.28Å; I360-L364 HydrophobicContact CG1-CG 4.45Å; I360-L364 VanDerWaalsContact O-CG 3.3Å; I360-L364 WeakPolarHBondContact O-CG 3.37Å; I360-L364 PolarHBondContact O-N 3.41Å; Q361-L364 PolarHBondContact O-N 2.71Å; E362-L364 VanDerWaalsContact C-N 3.33Å; E362-L364 PolarHBondContact O-N 2.89Å; L364-V367 PolarHBondContact O-N 3.39Å; L364-Q368 WeakPolarHBondContact O-CG 3.33Å; L364-Q368 PolarHBondContact O-N 3.1Å; L364-Y413 HydrophobicContact CD2-CD2 4.49Å; L364-Y413 HydrophobicContact CD2-CE2 3.66Å
365E94.4Very high92.4Very high83 Ų8353.3 Ų53.339%0.38827%0.274SS..Hα-helixtrans-63.6-41.3174.6-70.1174.4-161.500112.2Q361 E362 Q363 Q368 K369Q361-E365 WeakPolarHBondContact O-CG 3.21Å; Q361-E365 PolarHBondContact O-N 3.35Å; Q361-E365 VanDerWaalsContact O-N 3.09Å; E362-E365 PolarHBondContact O-N 2.78Å; Q363-E365 PolarHBondContact O-N 3.46Å; E365-Q368 PolarHBondContact O-N 3.42Å; E365-K369 WeakPolarHBondContact O-CG 3.33Å; E365-K369 PolarHBondContact O-N 3.29Å; E365-K369 VanDerWaalsContact O-N 3.09Å
366I94.8Very high92Very high76 Ų7655.5 Ų55.539%0.3929%0.293SS..Hα-helixtrans-61.1-47.5174.1-67.3164.4000109.9E362 Q363 Q368 K369 V370E362-I366 HydrophobicContact CG-CD1 4.22Å; E362-I366 VanDerWaalsContact O-CG1 3.31Å; E362-I366 WeakPolarHBondContact O-CG1 3.41Å; E362-I366 PolarHBondContact O-N 2.85Å; Q363-I366 PolarHBondContact O-N 2.78Å; I366-Q368 VanDerWaalsContact C-N 3.34Å; I366-Q368 PolarHBondContact O-N 3.25Å; I366-K369 WeakPolarHBondContact O-CB 3.43Å; I366-K369 PolarHBondContact O-N 3.35Å; I366-V370 HydrophobicContact CG2-CG2 4.37Å; I366-V370 WeakPolarHBondContact O-CG2 3.35Å; I366-V370 PolarHBondContact O-N 3.31Å
367V95.2Very high91.5Very high20 Ų2059.8 Ų59.812%0.12131%0.313CS..Hα-helixtrans-59.2-44.8178.6171.70000111I335 Q363 L364 K369 V370 V371 Y413I335-V367 HydrophobicContact CD1-CG1 3.95Å; I335-V367 HydrophobicContact CG1-CG1 4.42Å; I335-V367 HydrophobicContact CG2-CB 4.42Å; I335-V367 HydrophobicContact CG2-CG1 4.11Å; Q363-V367 VanDerWaalsContact O-CG2 3.26Å; Q363-V367 WeakPolarHBondContact O-CG2 3.41Å; Q363-V367 PolarHBondContact O-N 3.49Å; L364-V367 PolarHBondContact O-N 3.39Å; V367-K369 PolarHBondContact O-N 3.47Å; V367-V370 PolarHBondContact O-N 2.96Å; V367-V371 HydrophobicContact CG1-CG2 4.38Å; V367-V371 WeakPolarHBondContact O-CG2 3.24Å; V367-V371 PolarHBondContact O-N 3.34Å; V367-Y413 VanDerWaalsContact CG1-CB 3.5Å; V367-Y413 HydrophobicContact CG1-CD1 4.4Å; V367-Y413 HydrophobicContact CG1-CD2 4.04Å; V367-Y413 HydrophobicContact CG1-CG 3.74Å; V367-Y413 HydrophobicContact CG2-CD2 4.28Å
368Q93.3Very high90.9Very high73 Ų7365 Ų6534%0.34133%0.332SS..Hα-helixtrans-58-46.2176.3-74.1175.61.600111.8I335 L364 E365 I366 V370 V371 L372I335-Q368 HydrophobicContact CB-CG 3.87Å; I335-Q368 HydrophobicContact CD1-CG 4.12Å; I335-Q368 HydrophobicContact CG2-CG 3.78Å; I335-Q368 PolarHBondContact O-NE2 3.01Å; L364-Q368 WeakPolarHBondContact O-CG 3.33Å; L364-Q368 PolarHBondContact O-N 3.1Å; E365-Q368 PolarHBondContact O-N 3.42Å; I366-Q368 VanDerWaalsContact C-N 3.34Å; I366-Q368 PolarHBondContact O-N 3.25Å; Q368-V370 VanDerWaalsContact C-N 3.33Å; Q368-V370 PolarHBondContact O-N 3.11Å; Q368-V371 PolarHBondContact O-N 2.87Å; Q368-L372 WeakPolarHBondContact O-CG 3.33Å; Q368-L372 PolarHBondContact O-N 3.36Å
369K91.5Very high90.2Very high139 Ų13966.5 Ų66.560%0.60434%0.342SS*.Hα-helixtrans-60.4-42.5176.4-69.8167.9-175.2167.10111.7E365 I366 V367 L372 K373E365-K369 WeakPolarHBondContact O-CG 3.33Å; E365-K369 PolarHBondContact O-N 3.29Å; E365-K369 VanDerWaalsContact O-N 3.09Å; I366-K369 WeakPolarHBondContact O-CB 3.43Å; I366-K369 PolarHBondContact O-N 3.35Å; V367-K369 PolarHBondContact O-N 3.47Å; K369-L372 PolarHBondContact O-N 2.87Å; K369-K373 WeakPolarHBondContact O-CB 3.21Å; K369-K373 PolarHBondContact O-N 3.47Å
370V91.4Very high89.3Confident87 Ų8767.5 Ų67.553%0.52734%0.343SS..Hα-helixtrans-64.4-43.8178.2171.20000111.3I366 V367 Q368 K373 A374I366-V370 HydrophobicContact CG2-CG2 4.37Å; I366-V370 WeakPolarHBondContact O-CG2 3.35Å; I366-V370 PolarHBondContact O-N 3.31Å; V367-V370 PolarHBondContact O-N 2.96Å; Q368-V370 VanDerWaalsContact C-N 3.33Å; Q368-V370 PolarHBondContact O-N 3.11Å; V370-K373 PolarHBondContact O-N 3.33Å; V370-A374 WeakPolarHBondContact O-CB 3.48Å; V370-A374 PolarHBondContact O-N 3.47Å
371V90.8Very high88.3Confident22 Ų2274.1 Ų74.113%0.13337%0.371CS..Hα-helixtrans-61.7-46.9178.1168.80000110.9I335 V367 Q368 K373 A374 R375 I407I335-V371 HydrophobicContact CD1-CB 4.31Å; I335-V371 HydrophobicContact CD1-CG2 3.9Å; V367-V371 HydrophobicContact CG1-CG2 4.38Å; V367-V371 WeakPolarHBondContact O-CG2 3.24Å; V367-V371 PolarHBondContact O-N 3.34Å; Q368-V371 PolarHBondContact O-N 2.87Å; V371-K373 VanDerWaalsContact C-N 3.34Å; V371-K373 PolarHBondContact O-N 2.98Å; V371-A374 PolarHBondContact O-N 3.26Å; V371-R375 HydrophobicContact CG1-CG 4.32Å; V371-R375 VanDerWaalsContact O-CG 3.27Å; V371-R375 WeakPolarHBondContact O-CG 3.31Å; V371-R375 PolarHBondContact O-N 2.93Å; V371-I407 HydrophobicContact CG2-CG2 4.17Å
372L89.1Confident86.9Confident73 Ų7373.8 Ų73.838%0.38238%0.377SS..Hα-helixtrans-57.6-46.5176.5-69.9172000111.7Q368 K369 R375 A376 Q404Q368-L372 WeakPolarHBondContact O-CG 3.33Å; Q368-L372 PolarHBondContact O-N 3.36Å; K369-L372 PolarHBondContact O-N 2.87Å; L372-R375 PolarHBondContact O-N 3.49Å; L372-A376 WeakPolarHBondContact O-CB 3.28Å; L372-A376 PolarHBondContact O-N 3.29Å; L372-Q404 HydrophobicContact CD2-CB 3.88Å
373K87.9Confident85.4Confident139 Ų13976.2 Ų76.260%0.60439%0.386SS*.Hα-helixtrans-61.8-45.3176.7-173.5178.8-179.9-179.30111.9K369 V370 V371 R375 A376 Q377K369-K373 WeakPolarHBondContact O-CB 3.21Å; K369-K373 PolarHBondContact O-N 3.47Å; V370-K373 PolarHBondContact O-N 3.33Å; V371-K373 VanDerWaalsContact C-N 3.34Å; V371-K373 PolarHBondContact O-N 2.98Å; K373-R375 VanDerWaalsContact C-N 3.35Å; K373-R375 PolarHBondContact O-N 3.32Å; K373-A376 PolarHBondContact O-N 3.02Å; K373-Q377 WeakPolarHBondContact O-CG 3.19Å; K373-Q377 PolarHBondContact O-N 3.09Å
374A87.1Confident83.6Confident29 Ų2986.7 Ų86.724%0.2443%0.425CS..Hα-helixtrans-63.1-40.4179.400000111.8V370 V371 Q377 R378V370-A374 WeakPolarHBondContact O-CB 3.48Å; V370-A374 PolarHBondContact O-N 3.47Å; V371-A374 PolarHBondContact O-N 3.26Å; A374-Q377 PolarHBondContact O-N 3.36Å; A374-R378 WeakPolarHBondContact O-CG 3.41Å; A374-R378 PolarHBondContact O-N 3.34Å; A374-R378 VanDerWaalsContact O-N 3.07Å
375R86.5Confident81.7Confident46 Ų4697.2 Ų97.217%0.17447%0.465CS..Hα-helixtrans-65.3-44.9175.7-68.4-68.2-165.6-135-7.6111.9V371 L372 K373 Q377 R378 S379 N406 E411V371-R375 HydrophobicContact CG1-CG 4.32Å; V371-R375 VanDerWaalsContact O-CG 3.27Å; V371-R375 WeakPolarHBondContact O-CG 3.31Å; V371-R375 PolarHBondContact O-N 2.93Å; L372-R375 PolarHBondContact O-N 3.49Å; K373-R375 VanDerWaalsContact C-N 3.35Å; K373-R375 PolarHBondContact O-N 3.32Å; R375-Q377 VanDerWaalsContact C-N 3.3Å; R375-Q377 PolarHBondContact O-N 2.99Å; R375-R378 PolarHBondContact O-N 3.49Å; R375-S379 PolarHBondContact O-N 2.99Å; R375-S379 PolarHBondContact O-OG 2.66Å; R375-N406 PolarHBondContact NH2-O 2.9Å; R375-E411 IonicContact CZ-OE1 2.9Å; R375-E411 IonicContact CZ-OE2 3.73Å; R375-E411 IonicContact NH1-OE1 3.42Å; R375-E411 PolarHBondContact NH1-OE1 3.41Å; R375-E411 IonicContact NH1-OE2 2.89Å; R375-E411 PolarHBondContact NH1-OE2 3.43Å; R375-E411 IonicContact NH2-OE1 3.33Å; R375-E411 IonicContact NH2-OE2 2.99Å; R375-E411 PolarHBondContact NH2-OE2 2.95Å
376A85.1Confident79.7Confident49 Ų4999.8 Ų99.841%0.40548%0.476SS..Hα-helixtrans-60.8-37.1176.300000112.7L372 K373 S379 S380L372-A376 WeakPolarHBondContact O-CB 3.28Å; L372-A376 PolarHBondContact O-N 3.29Å; K373-A376 PolarHBondContact O-N 3.02Å; A376-S379 PolarHBondContact O-OG 2.86Å; A376-S380 WeakPolarHBondContact O-CB 3.27Å; A376-S380 PolarHBondContact O-N 3.45Å; A376-S380 VanDerWaalsContact O-N 3.12Å; A376-S380 PolarHBondContact O-OG 3.34Å
377Q83.9Confident77.5Confident105 Ų10599.3 Ų99.349%0.49149%0.49SS..Hα-helixtrans-68.7-38.2174.6-73-178.1-9.400112.9K373 A374 R375 S380 K381K373-Q377 WeakPolarHBondContact O-CG 3.19Å; K373-Q377 PolarHBondContact O-N 3.09Å; A374-Q377 PolarHBondContact O-N 3.36Å; R375-Q377 VanDerWaalsContact C-N 3.3Å; R375-Q377 PolarHBondContact O-N 2.99Å; Q377-S380 WeakPolarHBondContact CA-OG 3.33Å; Q377-S380 PolarHBondContact O-OG 3.05Å; Q377-K381 WeakPolarHBondContact O-CG 3.33Å; Q377-K381 PolarHBondContact O-N 3.1Å
378R81.9Confident75.4Confident138 Ų138106.2 Ų106.252%0.52153%0.526SS..Hα-helixtrans-68.9-40.9176.6-69.1179.2-156.5169.910111.6A374 R375 K381 S382 E411A374-R378 WeakPolarHBondContact O-CG 3.41Å; A374-R378 PolarHBondContact O-N 3.34Å; A374-R378 VanDerWaalsContact O-N 3.07Å; R375-R378 PolarHBondContact O-N 3.49Å; R378-K381 PolarHBondContact O-N 2.97Å; R378-S382 PolarHBondContact O-N 2.87Å; R378-E411 IonicContact CZ-OE1 2.7Å; R378-E411 IonicContact NH1-OE1 3.83Å; R378-E411 PolarHBondContact NH1-OE1 3.39Å; R378-E411 IonicContact NH2-OE1 3.75Å
379S77.6Confident73.1Confident63 Ų63111.7 Ų111.744%0.44155%0.549SS..Hα-helixtrans-66.9-40.7179.768.80000112.3R375 A376 S382 K383R375-S379 PolarHBondContact O-N 2.99Å; R375-S379 PolarHBondContact O-OG 2.66Å; A376-S379 PolarHBondContact O-OG 2.86Å; S379-S382 PolarHBondContact O-N 3.1Å; S379-K383 PolarHBondContact O-N 2.95Å
380S74.3Confident71.1Confident62 Ų62113.5 Ų113.543%0.43457%0.565SS.*Hα-helixtrans-65.8-38.917655.30000113.2A376 Q377 K383 R384A376-S380 WeakPolarHBondContact O-CB 3.27Å; A376-S380 PolarHBondContact O-N 3.45Å; A376-S380 VanDerWaalsContact O-N 3.12Å; A376-S380 PolarHBondContact O-OG 3.34Å; Q377-S380 WeakPolarHBondContact CA-OG 3.33Å; Q377-S380 PolarHBondContact O-OG 3.05Å; S380-K383 PolarHBondContact O-N 3.12Å; S380-R384 PolarHBondContact O-N 3.16Å; S380-R384 VanDerWaalsContact O-N 3.09Å
381K72.3Confident68.8Low152 Ų152114.4 Ų114.466%0.66158%0.576SS**Hα-helixtrans-66.4-37.5172.7-76.2-178179.2178.90112.6Q377 R378 R384 R385Q377-K381 WeakPolarHBondContact O-CG 3.33Å; Q377-K381 PolarHBondContact O-N 3.1Å; R378-K381 PolarHBondContact O-N 2.97Å; K381-R384 PolarHBondContact O-N 3.44Å; K381-R385 PolarHBondContact O-N 3.26Å
382S63.6Low66.7Low68 Ų68117.1 Ų117.148%0.47661%0.608SS.*Hα-helixtrans-64.9-43.8176-1690000111.9R378 S379 R384 R385 H386R378-S382 PolarHBondContact O-N 2.87Å; S379-S382 PolarHBondContact O-N 3.1Å; S382-R384 VanDerWaalsContact C-N 3.34Å; S382-R384 PolarHBondContact O-N 2.82Å; S382-R385 PolarHBondContact O-N 3.45Å; S382-H386 PolarHBondContact O-N 2.66Å; S382-H386 VanDerWaalsContact O-N 3.08Å
383K61.3Low64.5Low160 Ų160118.8 Ų118.870%0.69662%0.617SS**Hα-helixtrans-63.5-34.3175-75-178.2178.5-179.40113.2S379 S380S379-K383 PolarHBondContact O-N 2.95Å; S380-K383 PolarHBondContact O-N 3.12Å
384R58.8Low62.6Low232 Ų232118.3 Ų118.388%0.87562%0.617SS**Hα-helixtrans-72.2-27.6174.5-83.7-175161.2-172.3-4.4114.1S380 K381 S382S380-R384 PolarHBondContact O-N 3.16Å; S380-R384 VanDerWaalsContact O-N 3.09Å; K381-R384 PolarHBondContact O-N 3.44Å; S382-R384 VanDerWaalsContact C-N 3.34Å; S382-R384 PolarHBondContact O-N 2.82Å
385R55.8Low60.6Low226 Ų226123.3 Ų123.385%0.85364%0.64SS**Hα-helixtrans-84.9-28.6178.1-94.2-176.8159.6-170.7-5.4113.6K381 S382 G387K381-R385 PolarHBondContact O-N 3.26Å; S382-R385 PolarHBondContact O-N 3.45Å; R385-G387 PolarHBondContact O-N 2.91Å
386H51.8Low58.8Low137 Ų137128.4 Ų128.463%0.63466%0.663SS**  trans-101.170.9176.2-72.281.1000110.8S382 N388S382-H386 PolarHBondContact O-N 2.66Å; S382-H386 VanDerWaalsContact O-N 3.08Å; H386-N388 PolarHBondContact O-N 2.98Å
387G49Very low57Low66 Ų66128.9 Ų128.968%0.6866%0.663SS**  trans-64.7120.7156.500000109R385R385-G387 PolarHBondContact O-N 2.91Å
388N50.4Low55.2Low165 Ų165128.3 Ų128.388%0.88266%0.659SS**SBendtrans55.267.8161.2-100.617.4000117.5H386H386-N388 PolarHBondContact O-N 2.98Å
389K44.4Very low53.4Low187 Ų187125.7 Ų125.781%0.81366%0.662SS**  trans-13496.8148.7-75.2-169.4178.3178.30110.5S391K389-S391 PolarHBondContact O-N 2.96Å
390N49.6Very low52Low178 Ų178129 Ų12995%0.95267%0.674SS**  trans-59.5110.2157.6-87.9-4.9000107.9
391S44.1Very low50.8Low106 Ų106132.2 Ų132.274%0.74168%0.682SS**  trans-144.1114166.3178.30000107.7K389 N393K389-S391 PolarHBondContact O-N 2.96Å; S391-N393 PolarHBondContact O-N 3.37Å
392G46Very low49.8Very low79 Ų79134.7 Ų134.781%0.81469%0.687SS**  trans-6499.1-174.700000112.6
393N42.4Very low49.8Very low108 Ų108136.1 Ų136.158%0.57869%0.689SS**  trans-141.152.4163.9-148.62000108.8S391 D395 S397S391-N393 PolarHBondContact O-N 3.37Å; N393-D395 VanDerWaalsContact C-N 3.26Å; N393-D395 PolarHBondContact O-N 3.13Å; N393-S397 PolarHBondContact O-OG 3.11Å
394E48.3Very low50.3Low129 Ų129133.4 Ų133.460%0.60368%0.679SS**Hα-helixtrans-66.3-24.6-171.6-71-165.317400113.7S397 K398E394-S397 WeakPolarHBondContact CA-OG 3.5Å; E394-S397 PolarHBondContact O-OG 3.27Å; E394-K398 VanDerWaalsContact O-CG 3.29Å; E394-K398 WeakPolarHBondContact O-CG 3.44Å; E394-K398 PolarHBondContact O-N 3.31Å; E394-K398 IonicContact OE2-NZ 2.71Å; E394-K398 PolarHBondContact OE2-NZ 3.28Å
395D45.8Very low51.3Low133 Ų133124.7 Ų124.771%0.71165%0.653SS**Hα-helixtrans-80.6-26.9-169.5-71.3-24.6000114.2N393N393-D395 VanDerWaalsContact C-N 3.26Å; N393-D395 PolarHBondContact O-N 3.13Å
396K48.8Very low52.8Low154 Ų154115.1 Ų115.167%0.6762%0.619SS**Hα-helixtrans-82.4-29.1174.1-74.7-173.3177.7-178.40113.1
397S47.1Very low54.7Low58 Ų58108.9 Ų108.941%0.40659%0.591SS.*Hα-helixtrans-69.7-32.8175.1300000112.7N393 E394 S399 I400 E401N393-S397 PolarHBondContact O-OG 3.11Å; E394-S397 WeakPolarHBondContact CA-OG 3.5Å; E394-S397 PolarHBondContact O-OG 3.27Å; S397-S399 PolarHBondContact O-N 3.47Å; S397-I400 PolarHBondContact O-N 3.05Å; S397-E401 PolarHBondContact O-N 3.49Å
398K44.9Very low56.8Low94 Ų94110.2 Ų110.241%0.40958%0.581SS.*Hα-helixtrans-69.1-25.3-179.1-76.1169.8-172.7162.80113.9E394 R402E394-K398 VanDerWaalsContact O-CG 3.29Å; E394-K398 WeakPolarHBondContact O-CG 3.44Å; E394-K398 PolarHBondContact O-N 3.31Å; E394-K398 IonicContact OE2-NZ 2.71Å; E394-K398 PolarHBondContact OE2-NZ 3.28Å; K398-R402 WeakPolarHBondContact O-CG 3.28Å
399S44.3Very low58.9Low83 Ų83104.7 Ų104.758%0.5856%0.555SS**Hα-helixtrans-80-33.4177.286.80000112.9S397 R402S397-S399 PolarHBondContact O-N 3.47Å; S399-R402 PolarHBondContact O-N 2.83Å
400I49.4Very low61.2Low133 Ų13396.4 Ų96.468%0.68252%0.522SS*.Hα-helixtrans-73.6-31.4178.3-62.5171.5000110.8S397 R402S397-I400 PolarHBondContact O-N 3.05Å; I400-R402 VanDerWaalsContact C-N 3.33Å
401E48.8Very low63.4Low128 Ų12890.1 Ų90.160%0.59849%0.487SS*.Hα-helixtrans-72.4-22.2175-75.3-173.4161.500113.9S397 N403S397-E401 PolarHBondContact O-N 3.49Å; E401-N403 PolarHBondContact O-N 3Å
402R51.7Low65.9Low205 Ų20587.3 Ų87.377%0.77446%0.462SS*.THydrogen-bonded Turntrans-72.6-20.9-170.8-89.1176.8179.4-172-0.1115.2K398 S399 I400K398-R402 WeakPolarHBondContact O-CG 3.28Å; S399-R402 PolarHBondContact O-N 2.83Å; I400-R402 VanDerWaalsContact C-N 3.33Å
403N62.9Low68.4Low98 Ų9884.2 Ų84.252%0.52443%0.425SS..THydrogen-bonded Turntrans-140.868.3-179.5-70.6-37.7000112.1E401 S405 N406E401-N403 PolarHBondContact O-N 3Å; N403-S405 PolarHBondContact O-N 3.44Å; N403-N406 HydrophobicContact CB-CB 4.26Å; N403-N406 PolarHBondContact O-N 3.45Å
404Q71.5Confident71Confident103 Ų10382 Ų8248%0.48141%0.413SS..THydrogen-bonded Turntrans-60.3-17.9179.3-63.6-177.515.700114L372L372-Q404 HydrophobicContact CD2-CB 3.88Å
405S79.8Confident73.3Confident48 Ų4875.9 Ų75.934%0.33639%0.385SS..THydrogen-bonded Turntrans-77.9-15.4176.5530000114.2I335 N403I335-S405 WeakPolarHBondContact CD1-O 3.4Å; N403-S405 PolarHBondContact O-N 3.44Å
406N88.2Confident75.7Confident26 Ų2675.7 Ų75.714%0.13937%0.374CS..PPolyproline II helixtrans-88.9147-174.1-68.76.3000112.1N333 R375 N403N333-N406 HydrophobicContact CB-CB 4.45Å; N333-N406 WeakPolarHBondContact O-CA 3.16Å; N333-N406 VanDerWaalsContact O-CB 3.3Å; N333-N406 WeakPolarHBondContact O-CB 2.9Å; R375-N406 PolarHBondContact NH2-O 2.9Å; N403-N406 HydrophobicContact CB-CB 4.26Å; N403-N406 PolarHBondContact O-N 3.45Å
407I92.1Very high78Confident6 Ų668.5 Ų68.53%0.03134%0.342CS..PPolyproline II helixtrans-86.5153.4170.658.8-178.8000109.9V331 N333 I335 V371 E411 Y413 C430V331-I407 HydrophobicContact CG2-CD1 4.49Å; N333-I407 VanDerWaalsContact CB-O 3.27Å; N333-I407 WeakPolarHBondContact CB-O 2.97Å; N333-I407 PolarHBondContact O-N 3.29Å; N333-I407 VanDerWaalsContact O-N 3.08Å; I335-I407 HydrophobicContact CD1-CG2 4Å; I335-I407 HydrophobicContact CG1-CG2 4.18Å; V371-I407 HydrophobicContact CG2-CG2 4.17Å; I407-E411 HydrophobicContact CB-CB 4.41Å; I407-Y413 HydrophobicContact CD1-CD1 3.66Å; I407-Y413 HydrophobicContact CD1-CE1 3.69Å; I407-C430 HydrophobicContact CB-CB 4.49Å; I407-C430 HydrophobicContact CD1-CB 3.61Å; I407-C430 HydrophobicContact CG1-CB 3.73Å
408L92.3Very high80.2Confident93 Ų9366.7 Ų66.749%0.48733%0.33SS..PPolyproline II helixtrans-96.8155.6178.6-63.2172000110.6G410 E411 C430L408-G410 PolarHBondContact O-N 2.92Å; L408-E411 HydrophobicContact CB-CG 4.3Å; L408-E411 PolarHBondContact N-OE2 2.63Å; L408-E411 VanDerWaalsContact O-CB 3.29Å; L408-E411 WeakPolarHBondContact O-CB 3.13Å; L408-E411 PolarHBondContact O-N 3.29Å; L408-C430 VanDerWaalsContact O-CB 3.31Å; L408-C430 WeakPolarHBondContact O-CB 3.25Å
409P93.8Very high82.5Confident50 Ų5062.6 Ų62.633%0.32531%0.312SS..THydrogen-bonded Turntrans-50.5132.3172.7-27.836000111.7E411 C430 D432 P445P409-E411 VanDerWaalsContact C-N 3.29Å; P409-E411 PolarHBondContact O-N 3.04Å; P409-C430 WeakPolarHBondContact CA-O 3.3Å; P409-D432 HydrophobicContact CB-CB 4.46Å; P409-D432 HydrophobicContact CG-CB 3.97Å; P409-P445 HydrophobicContact CB-CB 3.96Å; P409-P445 HydrophobicContact CB-CG 4.36Å; P409-P445 WeakPolarHBondContact O-CB 3.33Å
410G94.4Very high84.8Confident12 Ų1258.8 Ų58.812%0.12429%0.286CS..THydrogen-bonded Turntrans83-12.2-17500000115.8L408 C430 P445 G449L408-G410 PolarHBondContact O-N 2.92Å; G410-C430 PolarHBondContact N-O 2.89Å; G410-P445 WeakPolarHBondContact CA-O 3.15Å; G410-G449 WeakPolarHBondContact O-CA 3.38Å
411E95.1Very high86.7Confident46 Ų4652.8 Ų52.822%0.21526%0.255CS..  trans-78.8152.6163.1-64.4-178.5146.100109.6R375 R378 I407 L408 P409 C430R375-E411 IonicContact CZ-OE1 2.9Å; R375-E411 IonicContact CZ-OE2 3.73Å; R375-E411 IonicContact NH1-OE1 3.42Å; R375-E411 PolarHBondContact NH1-OE1 3.41Å; R375-E411 IonicContact NH1-OE2 2.89Å; R375-E411 PolarHBondContact NH1-OE2 3.43Å; R375-E411 IonicContact NH2-OE1 3.33Å; R375-E411 IonicContact NH2-OE2 2.99Å; R375-E411 PolarHBondContact NH2-OE2 2.95Å; R378-E411 IonicContact CZ-OE1 2.7Å; R378-E411 IonicContact NH1-OE1 3.83Å; R378-E411 PolarHBondContact NH1-OE1 3.39Å; R378-E411 IonicContact NH2-OE1 3.75Å; I407-E411 HydrophobicContact CB-CB 4.41Å; L408-E411 HydrophobicContact CB-CG 4.3Å; L408-E411 PolarHBondContact N-OE2 2.63Å; L408-E411 VanDerWaalsContact O-CB 3.29Å; L408-E411 WeakPolarHBondContact O-CB 3.13Å; L408-E411 PolarHBondContact O-N 3.29Å; P409-E411 VanDerWaalsContact C-N 3.29Å; P409-E411 PolarHBondContact O-N 3.04Å; E411-C430 VanDerWaalsContact O-CB 3.23Å; E411-C430 WeakPolarHBondContact O-CB 3.48Å; E411-C430 PolarHBondContact O-N 2.73Å
412F96.9Very high88.8Confident48 Ų4849.1 Ų49.121%0.21124%0.238CC..EExtended strand (participates in β ladder)trans-140.7160176.963.5-87.7000110.5I414 F427 H428 L429 N452 I453 V456F412-I414 HydrophobicContact CD2-CG1 4.14Å; F412-I414 HydrophobicContact CE2-CD1 4.13Å; F412-I414 HydrophobicContact CE2-CG1 4.08Å; F412-F427 AromaticContact CD2-CD1 3.85Å; F412-F427 HydrophobicContact CD2-CD1 3.85Å; F412-F427 AromaticContact CE2-CD1 3.77Å; F412-F427 HydrophobicContact CE2-CD1 3.77Å; F412-F427 HydrophobicContact CE2-CE1 4.1Å; F412-H428 WeakPolarHBondContact CA-O 3.44Å; F412-H428 VanDerWaalsContact CB-O 3.27Å; F412-H428 WeakPolarHBondContact CB-O 3.3Å; F412-L429 HydrophobicContact CB-CB 4.4Å; F412-L429 HydrophobicContact CB-CD1 4.18Å; F412-N452 HydrophobicContact CE1-CB 3.67Å; F412-N452 HydrophobicContact CZ-CB 4.36Å; F412-I453 HydrophobicContact CB-CD1 4.39Å; F412-I453 HydrophobicContact CD1-CD1 4.23Å; F412-I453 HydrophobicContact CD1-CG1 3.68Å; F412-I453 HydrophobicContact CD2-CG1 3.93Å; F412-I453 HydrophobicContact CE1-CG1 3.72Å; F412-I453 HydrophobicContact CE2-CG1 3.95Å; F412-I453 HydrophobicContact CG-CD1 4.15Å; F412-I453 HydrophobicContact CG-CG1 3.79Å; F412-I453 HydrophobicContact CZ-CG1 3.84Å; F412-V456 HydrophobicContact CE2-CG2 4.27Å; F412-V456 HydrophobicContact CZ-CG2 3.87Å
413Y97Very high90.9Very high13 Ų1339.6 Ų39.65%0.05120%0.203CC..EExtended strand (participates in β ladder)trans-123.7164.3167.761.6-88.8000110.4V331 I335 L364 V367 I407 T415 H428V331-Y413 HydrophobicContact CG2-CE1 4.27Å; I335-Y413 HydrophobicContact CG1-CD1 4.29Å; I335-Y413 HydrophobicContact CG1-CE1 4.16Å; L364-Y413 HydrophobicContact CD2-CD2 4.49Å; L364-Y413 HydrophobicContact CD2-CE2 3.66Å; V367-Y413 VanDerWaalsContact CG1-CB 3.5Å; V367-Y413 HydrophobicContact CG1-CD1 4.4Å; V367-Y413 HydrophobicContact CG1-CD2 4.04Å; V367-Y413 HydrophobicContact CG1-CG 3.74Å; V367-Y413 HydrophobicContact CG2-CD2 4.28Å; I407-Y413 HydrophobicContact CD1-CD1 3.66Å; I407-Y413 HydrophobicContact CD1-CE1 3.69Å; Y413-T415 HydrophobicContact CD2-CG2 4.35Å; Y413-T415 HydrophobicContact CE2-CG2 4.34Å; Y413-H428 HydrophobicContact CD1-CB 3.81Å; Y413-H428 HydrophobicContact CD2-CB 3.76Å; Y413-H428 AromaticContact CD2-CD2 3.64Å; Y413-H428 AromaticContact CD2-CG 3.81Å; Y413-H428 HydrophobicContact CE1-CB 3.43Å; Y413-H428 VanDerWaalsContact CE1-CB 3.43Å; Y413-H428 HydrophobicContact CE2-CB 3.36Å; Y413-H428 AromaticContact CE2-CD2 3.3Å; Y413-H428 WeakPolarHBondContact CE2-CD2 3.46Å; Y413-H428 AromaticContact CE2-CG 3.18Å; Y413-H428 AromaticContact CE2-ND1 3.75Å; Y413-H428 AromaticContact CE2-NE2 3.91Å; Y413-H428 HydrophobicContact CG-CB 3.96Å; Y413-H428 AromaticContact CZ-CG 3.39Å; Y413-H428 AromaticContact CZ-ND1 3.78Å; Y413-H428 PolarHBondContact N-O 3.12Å; Y413-H428 VanDerWaalsContact N-O 3.15Å; Y413-H428 PolarHBondContact O-N 3.04Å; Y413-H428 PolarHBondContact OH-ND1 3.38Å
414I97.5Very high92.5Very high63 Ų6335.1 Ų35.132%0.32318%0.179SC..EExtended strand (participates in β ladder)trans-120.6138.2-173.7-57.6175.6000108.9F412 V425 A426 F427 V456F412-I414 HydrophobicContact CD2-CG1 4.14Å; F412-I414 HydrophobicContact CE2-CD1 4.13Å; F412-I414 HydrophobicContact CE2-CG1 4.08Å; I414-V425 HydrophobicContact CG2-CG1 3.36Å; I414-A426 WeakPolarHBondContact CA-O 3.35Å; I414-F427 HydrophobicContact CD1-CD1 4.06Å; I414-F427 HydrophobicContact CD1-CE1 3.65Å; I414-F427 HydrophobicContact CG1-CD1 3.76Å; I414-F427 HydrophobicContact CG1-CE1 3.88Å; I414-V456 HydrophobicContact CD1-CG1 3.99Å
415T97.4Very high93.7Very high0 Ų030.9 Ų30.90%016%0.16CC..EExtended strand (participates in β ladder)trans-124.1140.9166.557.40000109.1I360 Q363 Y413 H417 A426 H428I360-T415 HydrophobicContact CD1-CG2 3.7Å; Q363-T415 HydrophobicContact CB-CG2 4.32Å; Q363-T415 VanDerWaalsContact OE1-CA 3.23Å; Y413-T415 HydrophobicContact CD2-CG2 4.35Å; Y413-T415 HydrophobicContact CE2-CG2 4.34Å; T415-H417 WeakPolarHBondContact CB-NE2 3.26Å; T415-H417 PolarHBondContact OG1-NE2 3.43Å; T415-A426 PolarHBondContact N-O 2.86Å; T415-A426 PolarHBondContact O-N 2.82Å; T415-H428 PolarHBondContact OG1-NE2 2.79Å
416R96.6Very high94.6Very high129 Ų12928.6 Ų28.649%0.48714%0.144SC..EExtended strand (participates in β ladder)trans-108.8141.1-176.4-62.4174.5-68.1168.22.7109.7F357 Q363 H424F357-R416 HydrophobicContact CD1-CB 4.15Å; F357-R416 HydrophobicContact CD2-CB 4Å; F357-R416 HydrophobicContact CE1-CB 4.28Å; F357-R416 HydrophobicContact CE2-CB 4.1Å; F357-R416 HydrophobicContact CG-CB 4.01Å; F357-R416 HydrophobicContact CZ-CB 4.26Å; Q363-R416 PolarHBondContact NE2-O 3.37Å; Q363-R416 PolarHBondContact OE1-O 2.99Å; R416-H424 CarbonylContact C-O 3.5Å; R416-H424 WeakPolarHBondContact CA-O 3.29Å
417H95.9Very high95.1Very high2 Ų227.4 Ų27.41%0.00914%0.137CC..  trans-144.4132.3-172.7-58-83.7000110.6F345 C349 D354 T415 L420 H424F345-H417 AromaticContact CE1-NE2 3.76Å; F345-H417 AromaticContact CZ-CE1 3.95Å; F345-H417 AromaticContact CZ-NE2 3.47Å; F345-H417 WeakPolarHBondContact CZ-NE2 3.41Å; C349-H417 VanDerWaalsContact SG-CE1 3.54Å; D354-H417 WeakPolarHBondContact OD2-CA 3.34Å; T415-H417 WeakPolarHBondContact CB-NE2 3.26Å; T415-H417 PolarHBondContact OG1-NE2 3.43Å; H417-L420 HydrophobicContact CB-CB 4.4Å; H417-L420 HydrophobicContact CB-CD1 3.66Å; H417-L420 HydrophobicContact CB-CG 3.68Å; H417-H424 PolarHBondContact N-O 3.29Å; H417-H424 WeakPolarHBondContact O-CA 3.15Å
418S93.8Very high95.3Very high21 Ų2127.2 Ų27.215%0.14714%0.137CC..SBendtrans-102.1-12166.473.20000112D354 H356D354-S418 PolarHBondContact OD1-OG 2.97Å; D354-S418 PolarHBondContact OD2-N 2.83Å; H356-S418 VanDerWaalsContact CD2-CB 3.45Å; H356-S418 WeakPolarHBondContact CD2-CB 3.46Å; H356-S418 PolarHBondContact CD2-OG 3.35Å
419N92.6Very high95.6Very high7 Ų722.8 Ų22.84%0.03711%0.113CC..SBendtrans-101.814.1-169.271.6-24.5000113.6H300 C349 C352 T353 D354H300-N419 PolarHBondContact CE1-O 2.84Å; C349-N419 PolarHBondContact O-ND2 3.38Å; C352-N419 HydrophobicContact CB-CB 4.01Å; C352-N419 PolarHBondContact O-ND2 2.87Å; T353-N419 WeakPolarHBondContact O-CB 3.25Å; D354-N419 HydrophobicContact CB-CB 4.11Å; D354-N419 PolarHBondContact OD2-OD1 2.94Å
420L93.3Very high95.7Very high3 Ų320.5 Ų20.52%0.01610%0.098CC..SBendtrans-104.8154.7174.4-60.9-177.8000110C298 F345 V348 H417 I423C298-L420 HydrophobicContact CB-CD1 4.32Å; C298-L420 HydrophobicContact CB-CD2 4.04Å; F345-L420 HydrophobicContact CE2-CD1 3.93Å; F345-L420 HydrophobicContact CZ-CD1 4.1Å; V348-L420 HydrophobicContact CG1-CD2 4.16Å; H417-L420 HydrophobicContact CB-CB 4.4Å; H417-L420 HydrophobicContact CB-CD1 3.66Å; H417-L420 HydrophobicContact CB-CG 3.68Å; L420-I423 WeakPolarHBondContact CB-O 3.12Å; L420-I423 HydrophobicContact CD1-CB 4.35Å
421S90.4Very high95.7Very high7 Ų721.3 Ų21.35%0.04910%0.101CC..SBendtrans-65.1-50.6-171.5-175.10000113.7C298 K299 T315C298-S421 PolarHBondContact O-N 2.99Å; K299-S421 WeakPolarHBondContact O-CB 3.08Å; T315-S421 WeakPolarHBondContact CB-O 3.32Å; T315-S421 PolarHBondContact OG1-O 3.41Å
422E91.6Very high95.3Very high52 Ų5221.4 Ų21.424%0.24310%0.103CC..SBendtrans-126-2.1-172-65.1-179.9-140.400114.2F297 H311 T315 C325F297-E422 HydrophobicContact CB-CB 4.38Å; F297-E422 WeakPolarHBondContact CD1-OE2 3.36Å; F297-E422 PolarHBondContact O-N 3.03Å; H311-E422 HydrophobicContact CB-CG 4.08Å; T315-E422 WeakPolarHBondContact OG1-CA 3.3Å; C325-E422 WeakPolarHBondContact CB-O 3.43Å
423I95.2Very high94.7Very high4 Ų425.4 Ų25.42%0.02113%0.127CC..  trans-122.6130.7-168.9-56.8-58000110.5F297 L327 L420F297-I423 HydrophobicContact CB-CD1 4.23Å; F297-I423 HydrophobicContact CB-CG1 4Å; L327-I423 HydrophobicContact CB-CD1 3.91Å; L327-I423 HydrophobicContact CB-CG1 4.05Å; L327-I423 HydrophobicContact CB-CG2 3.75Å; L327-I423 HydrophobicContact CD2-CG1 4.4Å; L420-I423 WeakPolarHBondContact CB-O 3.12Å; L420-I423 HydrophobicContact CD1-CB 4.35Å
424H96.8Very high94Very high4 Ų429.3 Ų29.32%0.01915%0.148CC..SBendtrans-97.9-34.6174.3-56.389.7000111.7T315 L324 C325 R416 H417T315-H424 WeakPolarHBondContact CG2-NE2 3.32Å; T315-H424 PolarHBondContact O-NE2 3.38Å; L324-H424 HydrophobicContact CD2-CB 4.2Å; C325-H424 PolarHBondContact N-ND1 3.27Å; C325-H424 WeakPolarHBondContact O-CB 3.25Å; C325-H424 PolarHBondContact O-N 3.12Å; R416-H424 CarbonylContact C-O 3.5Å; R416-H424 WeakPolarHBondContact CA-O 3.29Å; H417-H424 PolarHBondContact N-O 3.29Å; H417-H424 WeakPolarHBondContact O-CA 3.15Å
425V97.7Very high93.3Very high15 Ų1526.5 Ų26.59%0.09113%0.134CC..EExtended strand (participates in β ladder)trans-131.6117.8-170.1-174.20000110.3C325 G326 L327 I414 F427 I462C325-V425 PolarHBondContact O-N 2.91Å; C325-V425 VanDerWaalsContact O-N 3.07Å; G326-V425 CarbonylContact C-O 3.6Å; G326-V425 WeakPolarHBondContact CA-O 3.44Å; L327-V425 PolarHBondContact N-O 3.39Å; I414-V425 HydrophobicContact CG2-CG1 3.36Å; V425-F427 HydrophobicContact CB-CE2 4.4Å; V425-F427 HydrophobicContact CG1-CD2 4.31Å; V425-F427 HydrophobicContact CG1-CE1 4.48Å; V425-F427 HydrophobicContact CG1-CE2 3.83Å; V425-F427 HydrophobicContact CG1-CZ 3.93Å; V425-I462 HydrophobicContact CB-CD1 4.2Å; V425-I462 HydrophobicContact CG1-CD1 4.16Å; V425-I462 HydrophobicContact CG2-CD1 4.11Å
426A98.1Very high92.5Very high0 Ų031.9 Ų31.90%015%0.154CC..EExtended strand (participates in β ladder)trans-101.1121.1172.100000110.6L327 L329 F345 I414 T415 H428L327-A426 CarbonylContact O-C 3.58Å; L327-A426 WeakPolarHBondContact O-CA 3.49Å; L329-A426 HydrophobicContact CD1-CB 4.46Å; F345-A426 HydrophobicContact CE1-CB 4.26Å; F345-A426 HydrophobicContact CE2-CB 4.22Å; F345-A426 HydrophobicContact CZ-CB 3.62Å; I414-A426 WeakPolarHBondContact CA-O 3.35Å; T415-A426 PolarHBondContact N-O 2.86Å; T415-A426 PolarHBondContact O-N 2.82Å; A426-H428 PolarHBondContact O-CD2 2.82Å
427F98.5Very high91.6Very high0 Ų028.3 Ų28.30%015%0.149CC..EExtended strand (participates in β ladder)trans-92.9113.7172.7-64.1-87.4000109.5L327 V328 L329 F412 I414 V425 L429 I453 V456 I462 I465L327-F427 PolarHBondContact O-N 2.93Å; V328-F427 CarbonylContact C-O 3.5Å; V328-F427 WeakPolarHBondContact CA-O 3.49Å; V328-F427 HydrophobicContact CG2-CB 4.33Å; L329-F427 PolarHBondContact N-O 3.45Å; F412-F427 AromaticContact CD2-CD1 3.85Å; F412-F427 HydrophobicContact CD2-CD1 3.85Å; F412-F427 AromaticContact CE2-CD1 3.77Å; F412-F427 HydrophobicContact CE2-CD1 3.77Å; F412-F427 HydrophobicContact CE2-CE1 4.1Å; I414-F427 HydrophobicContact CD1-CD1 4.06Å; I414-F427 HydrophobicContact CD1-CE1 3.65Å; I414-F427 HydrophobicContact CG1-CD1 3.76Å; I414-F427 HydrophobicContact CG1-CE1 3.88Å; V425-F427 HydrophobicContact CB-CE2 4.4Å; V425-F427 HydrophobicContact CG1-CD2 4.31Å; V425-F427 HydrophobicContact CG1-CE1 4.48Å; V425-F427 HydrophobicContact CG1-CE2 3.83Å; V425-F427 HydrophobicContact CG1-CZ 3.93Å; F427-L429 PolarHBondContact O-N 2.98Å; F427-I453 HydrophobicContact CB-CD1 3.89Å; F427-I453 HydrophobicContact CB-CG1 4.2Å; F427-I453 HydrophobicContact CB-CG2 4.25Å; F427-I453 HydrophobicContact CD1-CB 4.3Å; F427-I453 HydrophobicContact CD1-CD1 4.5Å; F427-I453 HydrophobicContact CD1-CG1 3.88Å; F427-I453 HydrophobicContact CD1-CG2 3.75Å; F427-I453 HydrophobicContact CD2-CG2 3.83Å; F427-I453 HydrophobicContact CE1-CG2 3.96Å; F427-I453 HydrophobicContact CE2-CG2 4.04Å; F427-I453 HydrophobicContact CG-CD1 4.38Å; F427-I453 HydrophobicContact CG-CG1 4.19Å; F427-I453 HydrophobicContact CG-CG2 3.68Å; F427-I453 HydrophobicContact CZ-CG2 4.09Å; F427-V456 HydrophobicContact CE1-CB 4.13Å; F427-V456 HydrophobicContact CE1-CG1 3.86Å; F427-V456 HydrophobicContact CZ-CG1 4.15Å; F427-I462 HydrophobicContact CE2-CD1 3.91Å; F427-I462 HydrophobicContact CZ-CD1 3.56Å; F427-I465 HydrophobicContact CD2-CD1 3.89Å; F427-I465 HydrophobicContact CE2-CD1 3.9Å
428H97.6Very high90.4Very high3 Ų330 Ų301%0.01417%0.167CC..EExtended strand (participates in β ladder)trans-95.592.2178.9-60-100.7000109L329 V331 F345 F412 Y413 T415 A426L329-H428 CarbonylContact O-C 3.54Å; L329-H428 WeakPolarHBondContact O-CA 3.1Å; V331-H428 HydrophobicContact CG1-CB 4.19Å; V331-H428 HydrophobicContact CG2-CB 3.95Å; F345-H428 AromaticContact CD1-CE1 3.78Å; F345-H428 AromaticContact CE1-CE1 3.67Å; F345-H428 AromaticContact CE1-NE2 3.93Å; F412-H428 WeakPolarHBondContact CA-O 3.44Å; F412-H428 VanDerWaalsContact CB-O 3.27Å; F412-H428 WeakPolarHBondContact CB-O 3.3Å; Y413-H428 HydrophobicContact CD1-CB 3.81Å; Y413-H428 HydrophobicContact CD2-CB 3.76Å; Y413-H428 AromaticContact CD2-CD2 3.64Å; Y413-H428 AromaticContact CD2-CG 3.81Å; Y413-H428 HydrophobicContact CE1-CB 3.43Å; Y413-H428 VanDerWaalsContact CE1-CB 3.43Å; Y413-H428 HydrophobicContact CE2-CB 3.36Å; Y413-H428 AromaticContact CE2-CD2 3.3Å; Y413-H428 WeakPolarHBondContact CE2-CD2 3.46Å; Y413-H428 AromaticContact CE2-CG 3.18Å; Y413-H428 AromaticContact CE2-ND1 3.75Å; Y413-H428 AromaticContact CE2-NE2 3.91Å; Y413-H428 HydrophobicContact CG-CB 3.96Å; Y413-H428 AromaticContact CZ-CG 3.39Å; Y413-H428 AromaticContact CZ-ND1 3.78Å; Y413-H428 PolarHBondContact N-O 3.12Å; Y413-H428 VanDerWaalsContact N-O 3.15Å; Y413-H428 PolarHBondContact O-N 3.04Å; Y413-H428 PolarHBondContact OH-ND1 3.38Å; T415-H428 PolarHBondContact OG1-NE2 2.79Å; A426-H428 PolarHBondContact O-CD2 2.82Å
429L97.7Very high89.7Confident0 Ų035 Ų350%019%0.192CC..EExtended strand (participates in β ladder)trans-83.8117.4-177.2177.659.8000111V328 L329 L330 V331 F412 F427 V431 L450 I453V328-L429 HydrophobicContact CG1-CB 4.05Å; V328-L429 HydrophobicContact CG1-CD2 4.3Å; L329-L429 PolarHBondContact O-N 3.5Å; L330-L429 WeakPolarHBondContact CA-O 3.28Å; L330-L429 HydrophobicContact CD2-CB 4.22Å; L330-L429 HydrophobicContact CD2-CD2 3.92Å; L330-L429 HydrophobicContact CD2-CG 4.34Å; V331-L429 PolarHBondContact N-O 2.65Å; F412-L429 HydrophobicContact CB-CB 4.4Å; F412-L429 HydrophobicContact CB-CD1 4.18Å; F427-L429 PolarHBondContact O-N 2.98Å; L429-V431 HydrophobicContact CD2-CG1 4.49Å; L429-V431 HydrophobicContact CG-CG1 4.24Å; L429-V431 PolarHBondContact O-N 3.28Å; L429-L450 HydrophobicContact CD2-CD2 4.11Å; L429-L450 HydrophobicContact CD2-CG 4.14Å; L429-I453 HydrophobicContact CB-CD1 4.1Å; L429-I453 HydrophobicContact CD1-CD1 4.36Å; L429-I453 HydrophobicContact CD2-CD1 4.31Å; L429-I453 HydrophobicContact CG-CD1 4.49Å
430C95.8Very high89.6Confident1 Ų135.2 Ų35.21%0.00719%0.193CC..EExtended strand (participates in β ladder)trans-68121.4174-171.80000110.2V331 I407 L408 P409 G410 E411V331-C430 WeakPolarHBondContact O-CA 3.4Å; I407-C430 HydrophobicContact CB-CB 4.49Å; I407-C430 HydrophobicContact CD1-CB 3.61Å; I407-C430 HydrophobicContact CG1-CB 3.73Å; L408-C430 VanDerWaalsContact O-CB 3.31Å; L408-C430 WeakPolarHBondContact O-CB 3.25Å; P409-C430 WeakPolarHBondContact CA-O 3.3Å; G410-C430 PolarHBondContact N-O 2.89Å; E411-C430 VanDerWaalsContact O-CB 3.23Å; E411-C430 WeakPolarHBondContact O-CB 3.48Å; E411-C430 PolarHBondContact O-N 2.73Å
431V93.8Very high89.5Confident30 Ų3038.8 Ų38.818%0.18222%0.215CC..  trans-121.2155.8171.9-63.40000110L330 V331 L429 V435 A446L330-V431 HydrophobicContact CB-CG1 4.32Å; L330-V431 HydrophobicContact CB-CG2 3.88Å; L330-V431 HydrophobicContact CD2-CG1 3.92Å; V331-V431 PolarHBondContact O-N 3.44Å; L429-V431 HydrophobicContact CD2-CG1 4.49Å; L429-V431 HydrophobicContact CG-CG1 4.24Å; L429-V431 PolarHBondContact O-N 3.28Å; V431-V435 HydrophobicContact CB-CG2 3.96Å; V431-V435 HydrophobicContact CG1-CG2 4.2Å; V431-A446 HydrophobicContact CG1-CB 3.88Å
432D88Confident89.5Confident47 Ų4740.9 Ų40.925%0.25123%0.233SC..  trans-111.3175.9169.560.416.2000110.1P409 N434 V435P409-D432 HydrophobicContact CB-CB 4.46Å; P409-D432 HydrophobicContact CG-CB 3.97Å; D432-N434 VanDerWaalsContact CG-ND2 3.28Å; D432-N434 PolarHBondContact O-N 3.41Å; D432-N434 VanDerWaalsContact O-N 3.12Å; D432-N434 WeakPolarHBondContact OD1-CB 3.31Å; D432-N434 PolarHBondContact OD1-N 3.33Å; D432-N434 VanDerWaalsContact OD1-N 3.14Å; D432-N434 PolarHBondContact OD1-ND2 2.95Å; D432-N434 PolarHBondContact OD2-ND2 3.33Å; D432-V435 PolarHBondContact O-N 3.03Å
433D83.8Confident89.5Confident133 Ų13349 Ų4971%0.71126%0.261SS*.G310 helixtrans-67.8-9.4179.5-63.3-43.5000113V435 R436D433-V435 PolarHBondContact O-N 3.18Å; D433-R436 WeakPolarHBondContact O-CB 3.36Å; D433-R436 PolarHBondContact O-N 3.26Å
434N82.5Confident89.5Confident95 Ų9549.7 Ų49.751%0.50827%0.265SS..G310 helixtrans-63.5-25.8175.6-61.4-45.9000111.6D432 R436 S437D432-N434 VanDerWaalsContact CG-ND2 3.28Å; D432-N434 PolarHBondContact O-N 3.41Å; D432-N434 VanDerWaalsContact O-N 3.12Å; D432-N434 WeakPolarHBondContact OD1-CB 3.31Å; D432-N434 PolarHBondContact OD1-N 3.33Å; D432-N434 VanDerWaalsContact OD1-N 3.14Å; D432-N434 PolarHBondContact OD1-ND2 2.95Å; D432-N434 PolarHBondContact OD2-ND2 3.33Å; N434-R436 PolarHBondContact O-N 3.41Å; N434-S437 WeakPolarHBondContact O-CB 3.2Å; N434-S437 PolarHBondContact O-N 2.87Å; N434-S437 PolarHBondContact O-OG 3.02Å
435V83Confident89.4Confident4 Ų451.8 Ų51.82%0.02428%0.279CS..G310 helixtrans-60.3-27174.4-179.20000111.8V431 D432 D433 A446 L471 R487V431-V435 HydrophobicContact CB-CG2 3.96Å; V431-V435 HydrophobicContact CG1-CG2 4.2Å; D432-V435 PolarHBondContact O-N 3.03Å; D433-V435 PolarHBondContact O-N 3.18Å; V435-A446 HydrophobicContact CG2-CB 3.89Å; V435-L471 HydrophobicContact CG1-CB 3.41Å; V435-L471 VanDerWaalsContact CG1-CB 3.41Å; V435-L471 HydrophobicContact CG1-CD1 4.13Å; V435-L471 HydrophobicContact CG1-CG 4.44Å; V435-L471 VanDerWaalsContact CG1-O 3.28Å; V435-L471 WeakPolarHBondContact CG1-O 3.32Å; V435-R487 PolarHBondContact O-NE 3.03Å; V435-R487 PolarHBondContact O-NH2 3.27Å
436R80.6Confident89.3Confident113 Ų11351.2 Ų51.243%0.42628%0.276SS..G310 helixtrans-77.5-20174.8-61.9-178.7177.4-92.3-2.3113D433 N434 W483 R487D433-R436 WeakPolarHBondContact O-CB 3.36Å; D433-R436 PolarHBondContact O-N 3.26Å; N434-R436 PolarHBondContact O-N 3.41Å; R436-W483 PolarHBondContact O-NE1 3.18Å; R436-R487 PolarHBondContact O-NH2 3.24Å
437S78.3Confident89.2Confident54 Ų5451.2 Ų51.238%0.37828%0.276SS..SBendtrans-67.9140.7-179.280.50000113.1N434 N439 R487N434-S437 WeakPolarHBondContact O-CB 3.2Å; N434-S437 PolarHBondContact O-N 2.87Å; N434-S437 PolarHBondContact O-OG 3.02Å; S437-N439 PolarHBondContact O-N 3.08Å; S437-R487 VanDerWaalsContact C-NH2 3.34Å; S437-R487 PolarHBondContact O-NH2 3.25Å
438G70.5Confident89.1Confident37 Ų3754.6 Ų54.638%0.38129%0.293SS..THydrogen-bonded Turntrans-63.5-3.6-175.200000117.2K486G438-K486 PolarHBondContact O-NZ 2.92Å
439N78.4Confident89Confident127 Ų12754.5 Ų54.568%0.67929%0.292SS*.THydrogen-bonded Turntrans-118.932.6-168.4-70.5-28.1000114.3S437S437-N439 PolarHBondContact O-N 3.08Å
440I89.3Confident89Confident10 Ų1054.6 Ų54.65%0.05129%0.293CS..  trans-59.8140.4173.2-167.4169.4000111.7D444 I447 L471 R487 L490I440-D444 HydrophobicContact CD1-CB 4.04Å; I440-D444 HydrophobicContact CG1-CB 3.56Å; I440-I447 HydrophobicContact CD1-CG1 4.34Å; I440-L471 HydrophobicContact CD1-CD1 3.42Å; I440-L471 VanDerWaalsContact CD1-CD1 3.42Å; I440-R487 HydrophobicContact CG2-CG 3.83Å; I440-L490 HydrophobicContact CB-CD2 4.3Å; I440-L490 HydrophobicContact CG1-CD2 4.01Å; I440-L490 HydrophobicContact CG2-CD2 3.73Å
441T91.4Very high89.1Confident79 Ų7957.7 Ų57.749%0.48530%0.304SS..  trans-127.6170.4-179.172.50000111.1R443 D444T441-R443 PolarHBondContact O-N 2.75Å; T441-R443 PolarHBondContact OG1-N 2.91Å; T441-D444 WeakPolarHBondContact O-CB 3.4Å; T441-D444 PolarHBondContact O-N 2.92Å
442A91.4Very high89.2Confident51 Ų5159.4 Ų59.442%0.42131%0.312SS..THydrogen-bonded Turntrans-63.3-13177.300000114.3L490A442-L490 HydrophobicContact CB-CD1 4.18Å
443R91.5Very high89.7Confident222 Ų22257.2 Ų57.284%0.83830%0.301SS*.THydrogen-bonded Turntrans-94.80.1175.9-65.6-176179.2174.20.3113.1T441T441-R443 PolarHBondContact O-N 2.75Å; T441-R443 PolarHBondContact OG1-N 2.91Å
444D94.4Very high90.2Very high18 Ų1851.3 Ų51.310%0.09627%0.269CS..SBendtrans-57.9138.4177.6-172.6-87000110.6I440 T441 A446 I447 M448I440-D444 HydrophobicContact CD1-CB 4.04Å; I440-D444 HydrophobicContact CG1-CB 3.56Å; T441-D444 WeakPolarHBondContact O-CB 3.4Å; T441-D444 PolarHBondContact O-N 2.92Å; D444-A446 PolarHBondContact O-N 3.08Å; D444-A446 VanDerWaalsContact OD1-CB 3.28Å; D444-A446 WeakPolarHBondContact OD1-CB 3.43Å; D444-A446 PolarHBondContact OD1-N 2.96Å; D444-I447 HydrophobicContact CB-CB 4.45Å; D444-I447 HydrophobicContact CB-CG1 4.14Å; D444-I447 PolarHBondContact O-N 2.54Å; D444-I447 VanDerWaalsContact O-N 3.08Å; D444-M448 PolarHBondContact O-N 3.47Å
445P95Very high90.7Very high49 Ų4951.1 Ų51.132%0.31826%0.264SS..Hα-helixtrans-54.4-36.9-179.3-26.134.5000113.6P409 G410 M448 G449P409-P445 HydrophobicContact CB-CB 3.96Å; P409-P445 HydrophobicContact CB-CG 4.36Å; P409-P445 WeakPolarHBondContact O-CB 3.33Å; G410-P445 WeakPolarHBondContact CA-O 3.15Å; P445-M448 PolarHBondContact O-N 2.78Å; P445-G449 PolarHBondContact O-N 3.01Å
446A95.3Very high91.3Very high2 Ų252.3 Ų52.32%0.01727%0.271CS..Hα-helixtrans-64.7-42.5178.200000111.6V431 V435 D444 G449 L450 L471V431-A446 HydrophobicContact CG1-CB 3.88Å; V435-A446 HydrophobicContact CG2-CB 3.89Å; D444-A446 PolarHBondContact O-N 3.08Å; D444-A446 VanDerWaalsContact OD1-CB 3.28Å; D444-A446 WeakPolarHBondContact OD1-CB 3.43Å; D444-A446 PolarHBondContact OD1-N 2.96Å; A446-G449 PolarHBondContact O-N 2.74Å; A446-L450 PolarHBondContact O-N 2.82Å; A446-L471 HydrophobicContact CB-CD1 4.28Å
447I96.4Very high91.9Very high1 Ų147.1 Ų47.11%0.00525%0.252CS..Hα-helixtrans-65.1-42.6176.5-62.7-65.9000111.1I440 D444 G449 L450 R451 L471 L490 V491 C494 F498I440-I447 HydrophobicContact CD1-CG1 4.34Å; D444-I447 HydrophobicContact CB-CB 4.45Å; D444-I447 HydrophobicContact CB-CG1 4.14Å; D444-I447 PolarHBondContact O-N 2.54Å; D444-I447 VanDerWaalsContact O-N 3.08Å; I447-G449 VanDerWaalsContact C-N 3.3Å; I447-G449 PolarHBondContact O-N 2.9Å; I447-L450 WeakPolarHBondContact O-CB 3.42Å; I447-L450 PolarHBondContact O-N 2.91Å; I447-R451 PolarHBondContact O-N 3.11Å; I447-L471 HydrophobicContact CD1-CD1 3.86Å; I447-L471 HydrophobicContact CG1-CD1 4.42Å; I447-L490 HydrophobicContact CD1-CD2 4.41Å; I447-L490 HydrophobicContact CD1-CG 4.49Å; I447-L490 HydrophobicContact CG1-CD2 4.41Å; I447-V491 HydrophobicContact CD1-CG2 3.82Å; I447-C494 HydrophobicContact CG2-CB 3.89Å; I447-F498 HydrophobicContact CG2-CE2 4.09Å; I447-F498 HydrophobicContact CG2-CZ 3.84Å
448M96Very high92.5Very high71 Ų7145 Ų4535%0.3524%0.237SC..Hα-helixtrans-67-33.8176-66.9-56.6-57.700112.1D444 P445 R451 N452D444-M448 PolarHBondContact O-N 3.47Å; P445-M448 PolarHBondContact O-N 2.78Å; M448-R451 WeakPolarHBondContact O-CB 3.41Å; M448-R451 PolarHBondContact O-N 3.06Å; M448-N452 PolarHBondContact O-N 3.19Å; M448-N452 VanDerWaalsContact O-N 3.1Å; M448-N452 PolarHBondContact O-ND2 2.84Å
449G97.1Very high93.4Very high1 Ų146.9 Ų46.91%0.0124%0.241CC..Hα-helixtrans-61.9-47.1170.900000111.8G410 P445 A446 I447 R451 N452 I453G410-G449 WeakPolarHBondContact O-CA 3.38Å; P445-G449 PolarHBondContact O-N 3.01Å; A446-G449 PolarHBondContact O-N 2.74Å; I447-G449 VanDerWaalsContact C-N 3.3Å; I447-G449 PolarHBondContact O-N 2.9Å; G449-R451 VanDerWaalsContact C-N 3.32Å; G449-R451 PolarHBondContact O-N 2.76Å; G449-N452 CarbonylContact O-C 3.6Å; G449-N452 PolarHBondContact O-N 2.95Å; G449-I453 WeakPolarHBondContact O-CG1 3.23Å; G449-I453 PolarHBondContact O-N 2.87Å
450L97.4Very high94Very high1 Ų146.2 Ų46.21%0.00523%0.234CC..Hα-helixtrans-58.3-41.6173.6-73.4-179.8000112.6V328 L429 A446 I447 N452 I453 L454 I467 L471V328-L450 HydrophobicContact CG1-CD2 3.96Å; V328-L450 HydrophobicContact CG2-CD2 4.25Å; L429-L450 HydrophobicContact CD2-CD2 4.11Å; L429-L450 HydrophobicContact CD2-CG 4.14Å; A446-L450 PolarHBondContact O-N 2.82Å; I447-L450 WeakPolarHBondContact O-CB 3.42Å; I447-L450 PolarHBondContact O-N 2.91Å; L450-N452 VanDerWaalsContact C-N 3.29Å; L450-N452 PolarHBondContact O-N 3.26Å; L450-I453 HydrophobicContact CD2-CD1 4.46Å; L450-I453 PolarHBondContact O-N 3.34Å; L450-L454 WeakPolarHBondContact O-CG 3.42Å; L450-L454 PolarHBondContact O-N 3.49Å; L450-I467 HydrophobicContact CD1-CG2 4.02Å; L450-I467 HydrophobicContact CD2-CG2 3.88Å; L450-L471 HydrophobicContact CD1-CD2 3.65Å
451R96.4Very high94.1Very high67 Ų6748.6 Ų48.625%0.25325%0.247SC..Hα-helixtrans-56.6-45.1172.9-174.4178.3177.6-104.511.7111.5I447 M448 G449 K455 F498 E501 M502I447-R451 PolarHBondContact O-N 3.11Å; M448-R451 WeakPolarHBondContact O-CB 3.41Å; M448-R451 PolarHBondContact O-N 3.06Å; G449-R451 VanDerWaalsContact C-N 3.32Å; G449-R451 PolarHBondContact O-N 2.76Å; R451-K455 PolarHBondContact O-N 3.31Å; R451-K455 VanDerWaalsContact O-N 3.08Å; R451-F498 HydrophobicContact CB-CD1 3.98Å; R451-F498 HydrophobicContact CB-CD2 3.72Å; R451-F498 HydrophobicContact CB-CE1 3.88Å; R451-F498 HydrophobicContact CB-CE2 3.57Å; R451-F498 HydrophobicContact CB-CG 3.93Å; R451-F498 HydrophobicContact CB-CZ 3.66Å; R451-F498 VanDerWaalsContact CD-CE1 3.47Å; R451-F498 HydrophobicContact CG-CB 4.4Å; R451-F498 HydrophobicContact CG-CD1 3.54Å; R451-F498 HydrophobicContact CG-CD2 4.09Å; R451-F498 HydrophobicContact CG-CE1 3.75Å; R451-F498 HydrophobicContact CG-CE2 4.24Å; R451-F498 HydrophobicContact CG-CG 3.74Å; R451-F498 HydrophobicContact CG-CZ 4.09Å; R451-E501 IonicContact CZ-OE1 2.99Å; R451-E501 IonicContact CZ-OE2 3.65Å; R451-E501 IonicContact NE-OE1 3.96Å; R451-E501 IonicContact NE-OE2 2.76Å; R451-E501 PolarHBondContact NE-OE2 3.42Å; R451-E501 IonicContact NH2-OE1 3.55Å; R451-E501 PolarHBondContact NH2-OE1 2.89Å; R451-E501 IonicContact NH2-OE2 3.34Å; R451-E501 PolarHBondContact NH2-OE2 3.33Å; R451-M502 HydrophobicContact CG-CE 4.47Å; R451-M502 WeakPolarHBondContact O-CE 3.47Å
452N96.5Very high94.3Very high66 Ų6645.1 Ų45.135%0.35323%0.225SC..Hα-helixtrans-71.1-34.6180-68.6-30.2000112.3F412 M448 G449 L450 K455 V456F412-N452 HydrophobicContact CE1-CB 3.67Å; F412-N452 HydrophobicContact CZ-CB 4.36Å; M448-N452 PolarHBondContact O-N 3.19Å; M448-N452 VanDerWaalsContact O-N 3.1Å; M448-N452 PolarHBondContact O-ND2 2.84Å; G449-N452 CarbonylContact O-C 3.6Å; G449-N452 PolarHBondContact O-N 2.95Å; L450-N452 VanDerWaalsContact C-N 3.29Å; L450-N452 PolarHBondContact O-N 3.26Å; N452-K455 WeakPolarHBondContact O-CB 3.39Å; N452-K455 PolarHBondContact O-N 3.12Å; N452-V456 WeakPolarHBondContact O-CG2 3.32Å; N452-V456 PolarHBondContact O-N 2.59Å
453I97.8Very high94.4Very high1 Ų143.6 Ų43.61%0.00521%0.21CC..Hα-helixtrans-61.6-50.4172.8-71.5167.3000110.2V328 F412 F427 L429 G449 L450 K455 V456 C457 I465V328-I453 HydrophobicContact CG1-CD1 3.99Å; V328-I453 HydrophobicContact CG2-CD1 4.22Å; V328-I453 HydrophobicContact CG2-CG2 4.04Å; F412-I453 HydrophobicContact CB-CD1 4.39Å; F412-I453 HydrophobicContact CD1-CD1 4.23Å; F412-I453 HydrophobicContact CD1-CG1 3.68Å; F412-I453 HydrophobicContact CD2-CG1 3.93Å; F412-I453 HydrophobicContact CE1-CG1 3.72Å; F412-I453 HydrophobicContact CE2-CG1 3.95Å; F412-I453 HydrophobicContact CG-CD1 4.15Å; F412-I453 HydrophobicContact CG-CG1 3.79Å; F412-I453 HydrophobicContact CZ-CG1 3.84Å; F427-I453 HydrophobicContact CB-CD1 3.89Å; F427-I453 HydrophobicContact CB-CG1 4.2Å; F427-I453 HydrophobicContact CB-CG2 4.25Å; F427-I453 HydrophobicContact CD1-CB 4.3Å; F427-I453 HydrophobicContact CD1-CD1 4.5Å; F427-I453 HydrophobicContact CD1-CG1 3.88Å; F427-I453 HydrophobicContact CD1-CG2 3.75Å; F427-I453 HydrophobicContact CD2-CG2 3.83Å; F427-I453 HydrophobicContact CE1-CG2 3.96Å; F427-I453 HydrophobicContact CE2-CG2 4.04Å; F427-I453 HydrophobicContact CG-CD1 4.38Å; F427-I453 HydrophobicContact CG-CG1 4.19Å; F427-I453 HydrophobicContact CG-CG2 3.68Å; F427-I453 HydrophobicContact CZ-CG2 4.09Å; L429-I453 HydrophobicContact CB-CD1 4.1Å; L429-I453 HydrophobicContact CD1-CD1 4.36Å; L429-I453 HydrophobicContact CD2-CD1 4.31Å; L429-I453 HydrophobicContact CG-CD1 4.49Å; G449-I453 WeakPolarHBondContact O-CG1 3.23Å; G449-I453 PolarHBondContact O-N 2.87Å; L450-I453 HydrophobicContact CD2-CD1 4.46Å; L450-I453 PolarHBondContact O-N 3.34Å; I453-K455 PolarHBondContact O-N 3.03Å; I453-V456 WeakPolarHBondContact O-CA 3.25Å; I453-V456 WeakPolarHBondContact O-CB 3.45Å; I453-V456 PolarHBondContact O-N 2.93Å; I453-C457 PolarHBondContact O-N 2.69Å; I453-C457 PolarHBondContact O-SG 2.91Å; I453-C457 VanDerWaalsContact O-SG 3.35Å; I453-I465 HydrophobicContact CG2-CD1 4.39Å
454L95.1Very high94.6Very high8 Ų834.1 Ų34.14%0.04218%0.177CC..Hα-helixtrans-58.6-36177.2-71.1177.2000111.7L450 C457 C458 I465 I467 V495 F498 M502L450-L454 WeakPolarHBondContact O-CG 3.42Å; L450-L454 PolarHBondContact O-N 3.49Å; L454-C457 WeakPolarHBondContact O-CB 3.28Å; L454-C457 PolarHBondContact O-N 2.83Å; L454-C458 PolarHBondContact O-N 2.95Å; L454-C458 PolarHBondContact O-SG 2.58Å; L454-I465 HydrophobicContact CD2-CG2 3.77Å; L454-I467 HydrophobicContact CD2-CD1 4.31Å; L454-V495 HydrophobicContact CD1-CG1 4.13Å; L454-V495 HydrophobicContact CD1-CG2 4.34Å; L454-F498 HydrophobicContact CD1-CB 3.93Å; L454-F498 HydrophobicContact CD1-CD2 4.11Å; L454-M502 HydrophobicContact CB-CE 3.73Å; L454-M502 HydrophobicContact CB-SD 3.64Å
455K93.8Very high94.8Very high91 Ų9133.5 Ų33.540%0.39617%0.174SC..Hα-helixtrans-62-43.3173.7171.6162.3-171.6169.30111.7R451 N452 I453 C457 C458 T459 M502 W505R451-K455 PolarHBondContact O-N 3.31Å; R451-K455 VanDerWaalsContact O-N 3.08Å; N452-K455 WeakPolarHBondContact O-CB 3.39Å; N452-K455 PolarHBondContact O-N 3.12Å; I453-K455 PolarHBondContact O-N 3.03Å; K455-C457 VanDerWaalsContact C-N 3.33Å; K455-C458 PolarHBondContact O-N 3.4Å; K455-T459 PolarHBondContact O-N 3.39Å; K455-T459 PolarHBondContact O-OG1 2.91Å; K455-M502 VanDerWaalsContact CA-CE 3.48Å; K455-M502 HydrophobicContact CB-CE 3.67Å; K455-W505 HydrophobicContact CB-CZ3 4.42Å; K455-W505 HydrophobicContact CD-CH2 3.86Å; K455-W505 HydrophobicContact CD-CZ3 3.48Å; K455-W505 VanDerWaalsContact CD-CZ3 3.48Å; K455-W505 HydrophobicContact CG-CZ3 3.69Å
456V94.8Very high94.9Very high30 Ų3031.3 Ų31.318%0.18216%0.16CC..Hα-helixtrans-62.2-44.8175.21740000109.9F412 I414 F427 N452 I453 C458 T459 H460F412-V456 HydrophobicContact CE2-CG2 4.27Å; F412-V456 HydrophobicContact CZ-CG2 3.87Å; I414-V456 HydrophobicContact CD1-CG1 3.99Å; F427-V456 HydrophobicContact CE1-CB 4.13Å; F427-V456 HydrophobicContact CE1-CG1 3.86Å; F427-V456 HydrophobicContact CZ-CG1 4.15Å; N452-V456 WeakPolarHBondContact O-CG2 3.32Å; N452-V456 PolarHBondContact O-N 2.59Å; I453-V456 WeakPolarHBondContact O-CA 3.25Å; I453-V456 WeakPolarHBondContact O-CB 3.45Å; I453-V456 PolarHBondContact O-N 2.93Å; V456-C458 PolarHBondContact O-N 2.84Å; V456-T459 WeakPolarHBondContact CA-OG1 3.43Å; V456-T459 PolarHBondContact O-N 3.06Å; V456-T459 PolarHBondContact O-OG1 3.46Å; V456-H460 PolarHBondContact O-N 3.43Å; V456-H460 PolarHBondContact O-ND1 2.71Å
457C94.1Very high95Very high3 Ų331.2 Ų31.22%0.0216%0.159CC..Hα-helixtrans-54.7-41.5176.4-62.10000112.5I453 L454 K455 T459 D461 I462I453-C457 PolarHBondContact O-N 2.69Å; I453-C457 PolarHBondContact O-SG 2.91Å; I453-C457 VanDerWaalsContact O-SG 3.35Å; L454-C457 WeakPolarHBondContact O-CB 3.28Å; L454-C457 PolarHBondContact O-N 2.83Å; K455-C457 VanDerWaalsContact C-N 3.33Å; C457-T459 VanDerWaalsContact C-N 3.26Å; C457-T459 PolarHBondContact O-N 2.94Å; C457-D461 PolarHBondContact O-N 2.76Å; C457-I462 HydrophobicContact CB-CB 3.78Å; C457-I462 HydrophobicContact CB-CG2 4.21Å; C457-I462 PolarHBondContact O-N 2.79Å
458C89.1Confident95Very high9 Ų931.2 Ų31.26%0.06116%0.159CC..Hα-helixtrans-68.9-20.3179.6-61.10000115.1L454 K455 V456 M502 R511L454-C458 PolarHBondContact O-N 2.95Å; L454-C458 PolarHBondContact O-SG 2.58Å; K455-C458 PolarHBondContact O-N 3.4Å; V456-C458 PolarHBondContact O-N 2.84Å; C458-M502 VanDerWaalsContact SG-CB 3.51Å; C458-M502 PolarHBondContact SG-SD 2.72Å; C458-R511 PolarHBondContact SG-NH1 2.92Å; C458-R511 PolarHBondContact SG-NH2 3.41Å
459T90.1Very high95Very high78 Ų7827.9 Ų27.948%0.47914%0.142SC..Hα-helixtrans-106-4.7-174.144.30000112.6K455 V456 C457K455-T459 PolarHBondContact O-N 3.39Å; K455-T459 PolarHBondContact O-OG1 2.91Å; V456-T459 WeakPolarHBondContact CA-OG1 3.43Å; V456-T459 PolarHBondContact O-N 3.06Å; V456-T459 PolarHBondContact O-OG1 3.46Å; C457-T459 VanDerWaalsContact C-N 3.26Å; C457-T459 PolarHBondContact O-N 2.94Å
460H91.9Very high94.9Very high112 Ų11227.8 Ų27.852%0.51914%0.142SC..THydrogen-bonded Turntrans-136.529.2-174.7-57.876.1000111.1V456 I462V456-H460 PolarHBondContact O-N 3.43Å; V456-H460 PolarHBondContact O-ND1 2.71Å; H460-I462 PolarHBondContact O-N 3.47Å
461D91Very high94.8Very high61 Ų6127.9 Ų27.933%0.32614%0.142SC..THydrogen-bonded Turntrans53.534172.1-56.7-36.6000115.4T322 L324 C457 T463T322-D461 CarbonylContact C-O 3.59Å; L324-D461 PolarHBondContact N-O 3.01Å; C457-D461 PolarHBondContact O-N 2.76Å; D461-T463 PolarHBondContact O-N 3.01Å
462I95Very high94.5Very high5 Ų525.2 Ų25.23%0.02613%0.134CC..EExtended strand (participates in β ladder)trans-87.296.9172.3-54.7170.5000107.5L324 V425 F427 C457 H460 T464L324-I462 HydrophobicContact CB-CB 4.42Å; L324-I462 HydrophobicContact CB-CG1 3.98Å; L324-I462 HydrophobicContact CD1-CG1 4.45Å; L324-I462 CarbonylContact O-C 3.57Å; L324-I462 WeakPolarHBondContact O-CA 3.31Å; L324-I462 WeakPolarHBondContact O-CG2 3.41Å; V425-I462 HydrophobicContact CB-CD1 4.2Å; V425-I462 HydrophobicContact CG1-CD1 4.16Å; V425-I462 HydrophobicContact CG2-CD1 4.11Å; F427-I462 HydrophobicContact CE2-CD1 3.91Å; F427-I462 HydrophobicContact CZ-CD1 3.56Å; C457-I462 HydrophobicContact CB-CB 3.78Å; C457-I462 HydrophobicContact CB-CG2 4.21Å; C457-I462 PolarHBondContact O-N 2.79Å; H460-I462 PolarHBondContact O-N 3.47Å; I462-T464 WeakPolarHBondContact CG2-O 3.27Å
463T94.2Very high94.2Very high19 Ų1924 Ų2412%0.11713%0.126CC..EExtended strand (participates in β ladder)trans-82.7-24.4-17558.80000112.3T322 S323 L324 D461 I509 R511 T512T322-T463 WeakPolarHBondContact O-CG2 3.45Å; S323-T463 PolarHBondContact OG-OG1 2.81Å; L324-T463 PolarHBondContact O-N 3.01Å; D461-T463 PolarHBondContact O-N 3.01Å; T463-I509 HydrophobicContact CG2-CG2 4.38Å; T463-R511 CarbonylContact O-C 3.55Å; T463-R511 VanDerWaalsContact O-CA 3.25Å; T463-R511 WeakPolarHBondContact O-CA 3.36Å; T463-R511 WeakPolarHBondContact O-CB 3.34Å; T463-T512 PolarHBondContact O-N 3.47Å
464T96.1Very high93.6Very high23 Ų2328.4 Ų28.414%0.14115%0.149CC..EExtended strand (participates in β ladder)trans-121.6130.5177.6-59.20000111.1L324 C325 G326 I462 T512 Q514L324-T464 PolarHBondContact O-N 3.27Å; C325-T464 CarbonylContact C-O 3.59Å; C325-T464 WeakPolarHBondContact CA-O 3.44Å; G326-T464 PolarHBondContact N-O 3.35Å; I462-T464 WeakPolarHBondContact CG2-O 3.27Å; T464-T512 CarbonylContact C-O 3.58Å; T464-T512 VanDerWaalsContact CA-O 3.28Å; T464-T512 WeakPolarHBondContact CA-O 3.37Å; T464-T512 HydrophobicContact CG2-CG2 4.23Å; T464-Q514 HydrophobicContact CG2-CG 4.19Å
465I97.4Very high93.2Very high6 Ų630.6 Ų30.63%0.03116%0.16CC..EExtended strand (participates in β ladder)trans-135.8128.2179.3-175.660.7000111.6G326 V328 F427 I453 L454 I467 T512 V513 Q514G326-I465 WeakPolarHBondContact O-CA 3.31Å; V328-I465 HydrophobicContact CG2-CD1 3.85Å; V328-I465 HydrophobicContact CG2-CG1 4.28Å; F427-I465 HydrophobicContact CD2-CD1 3.89Å; F427-I465 HydrophobicContact CE2-CD1 3.9Å; I453-I465 HydrophobicContact CG2-CD1 4.39Å; L454-I465 HydrophobicContact CD2-CG2 3.77Å; I465-I467 HydrophobicContact CG1-CD1 4.43Å; I465-I467 HydrophobicContact CG1-CG1 4.05Å; I465-I467 HydrophobicContact CG2-CD1 4.45Å; I465-T512 PolarHBondContact N-O 2.92Å; I465-V513 HydrophobicContact CG2-CB 4.4Å; I465-V513 HydrophobicContact CG2-CG1 4.31Å; I465-V513 HydrophobicContact CG2-CG2 3.96Å; I465-Q514 PolarHBondContact O-N 3.06Å
466S97.8Very high92.8Very high2 Ų228.1 Ų28.11%0.01415%0.154CC..EExtended strand (participates in β ladder)trans-101120.3179.8-69.40000111.2G326 V328 Q514G326-S466 PolarHBondContact O-N 2.98Å; V328-S466 PolarHBondContact N-O 3.4Å; S466-Q514 CarbonylContact C-O 3.54Å; S466-Q514 WeakPolarHBondContact CA-O 3.39Å; S466-Q514 PolarHBondContact OG-OE1 3.22Å
467I97.6Very high92.1Very high1 Ų136.2 Ų36.21%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-124.4132.4-170.5-56.6178.9000110.6V328 L450 L454 I465 L469 V495 V513 Q514 L516V328-I467 HydrophobicContact CG2-CG1 4.21Å; L450-I467 HydrophobicContact CD1-CG2 4.02Å; L450-I467 HydrophobicContact CD2-CG2 3.88Å; L454-I467 HydrophobicContact CD2-CD1 4.31Å; I465-I467 HydrophobicContact CG1-CD1 4.43Å; I465-I467 HydrophobicContact CG1-CG1 4.05Å; I465-I467 HydrophobicContact CG2-CD1 4.45Å; I467-L469 PolarHBondContact O-N 3.04Å; I467-L469 VanDerWaalsContact O-N 3.09Å; I467-V495 HydrophobicContact CD1-CG2 4.39Å; I467-V513 HydrophobicContact CD1-CG1 3.86Å; I467-Q514 PolarHBondContact N-O 2.96Å; I467-L516 PolarHBondContact O-N 3.37Å
468P96.1Very high91.5Very high1 Ų143.2 Ų43.21%0.00622%0.222CC..EExtended strand (participates in β ladder)trans-62.9108.4166.518.5-24.3000110.3M294 V328 L330 L470 L471M294-P468 HydrophobicContact CE-CB 3.17Å; M294-P468 HydrophobicContact CE-CG 3.4Å; V328-P468 WeakPolarHBondContact O-CD 3.48Å; L330-P468 HydrophobicContact CD1-CB 4.08Å; L330-P468 HydrophobicContact CD1-CG 3.72Å; L330-P468 HydrophobicContact CD2-CG 3.84Å; L330-P468 HydrophobicContact CG-CG 3.73Å; P468-L470 VanDerWaalsContact C-N 3.26Å; P468-L470 PolarHBondContact O-N 3.42Å; P468-L471 PolarHBondContact O-N 3.37Å; P468-L471 VanDerWaalsContact O-N 3.14Å
469L96.5Very high91.4Very high0 Ų043.5 Ų43.50%022%0.223CC..THydrogen-bonded Turntrans-60.6-38.7-177.3179.357.3000112.3L289 I467 L471 A488 V491 F492 F515 L516 V517 L529L289-L469 HydrophobicContact CD1-CD2 3.76Å; I467-L469 PolarHBondContact O-N 3.04Å; I467-L469 VanDerWaalsContact O-N 3.09Å; L469-L471 VanDerWaalsContact C-N 3.32Å; L469-A488 HydrophobicContact CD1-CB 4.07Å; L469-A488 HydrophobicContact CD2-CB 3.92Å; L469-A488 HydrophobicContact CG-CB 3.93Å; L469-V491 HydrophobicContact CD1-CB 4.14Å; L469-V491 HydrophobicContact CD1-CG1 3.99Å; L469-V491 WeakPolarHBondContact O-CG2 3.41Å; L469-F492 HydrophobicContact CD1-CD1 3.73Å; L469-F492 HydrophobicContact CD1-CE1 3.35Å; L469-F492 HydrophobicContact CD1-CE2 4.25Å; L469-F492 HydrophobicContact CD1-CG 4.33Å; L469-F492 HydrophobicContact CD1-CZ 3.66Å; L469-F492 HydrophobicContact CD2-CE1 3.98Å; L469-F492 HydrophobicContact CD2-CE2 4.22Å; L469-F492 HydrophobicContact CD2-CZ 3.52Å; L469-F492 HydrophobicContact CG-CE1 4.32Å; L469-F492 HydrophobicContact CG-CZ 4.26Å; L469-F515 HydrophobicContact CB-CB 4.2Å; L469-F515 HydrophobicContact CD1-CB 4.37Å; L469-F515 HydrophobicContact CD1-CD1 3.76Å; L469-F515 HydrophobicContact CD1-CE1 4.33Å; L469-F515 HydrophobicContact CD1-CG 4.23Å; L469-F515 HydrophobicContact CD2-CB 4.43Å; L469-L516 WeakPolarHBondContact CB-O 3.36Å; L469-L516 PolarHBondContact N-O 2.84Å; L469-V517 HydrophobicContact CB-CG1 4.02Å; L469-V517 HydrophobicContact CD2-CG1 3.7Å; L469-V517 HydrophobicContact CG-CG1 4.39Å; L469-L529 HydrophobicContact CD2-CD1 4.28Å
470L94.4Very high91.4Very high0 Ų043.7 Ų43.70%022%0.224CC..THydrogen-bonded Turntrans-90.83.8-177.1-59.9-176.5000113.3P468 V472 M475 W483 C484 R487 A488 I521P468-L470 VanDerWaalsContact C-N 3.26Å; P468-L470 PolarHBondContact O-N 3.42Å; L470-V472 HydrophobicContact CB-CG2 3.8Å; L470-V472 PolarHBondContact O-N 3.21Å; L470-M475 HydrophobicContact CD1-SD 3.93Å; L470-W483 HydrophobicContact CB-CZ3 4.27Å; L470-C484 HydrophobicContact CD1-CB 4.34Å; L470-C484 HydrophobicContact CD2-CB 4.05Å; L470-R487 HydrophobicContact CD2-CB 4.4Å; L470-A488 HydrophobicContact CD2-CB 4.38Å; L470-I521 HydrophobicContact CD1-CD1 4.35Å
471L94.2Very high91.4Very high3 Ų342.5 Ų42.52%0.01622%0.221CC..SBendtrans53.434.4-172.5-54.4174.4000113.1L330 V435 I440 A446 I447 L450 P468 L469 V491L330-L471 HydrophobicContact CD1-CB 4.33Å; L330-L471 WeakPolarHBondContact CD1-O 3.34Å; V435-L471 HydrophobicContact CG1-CB 3.41Å; V435-L471 VanDerWaalsContact CG1-CB 3.41Å; V435-L471 HydrophobicContact CG1-CD1 4.13Å; V435-L471 HydrophobicContact CG1-CG 4.44Å; V435-L471 VanDerWaalsContact CG1-O 3.28Å; V435-L471 WeakPolarHBondContact CG1-O 3.32Å; I440-L471 HydrophobicContact CD1-CD1 3.42Å; I440-L471 VanDerWaalsContact CD1-CD1 3.42Å; A446-L471 HydrophobicContact CB-CD1 4.28Å; I447-L471 HydrophobicContact CD1-CD1 3.86Å; I447-L471 HydrophobicContact CG1-CD1 4.42Å; L450-L471 HydrophobicContact CD1-CD2 3.65Å; P468-L471 PolarHBondContact O-N 3.37Å; P468-L471 VanDerWaalsContact O-N 3.14Å; L469-L471 VanDerWaalsContact C-N 3.32Å; L471-V491 HydrophobicContact CD1-CG2 4.23Å; L471-V491 HydrophobicContact CD2-CG2 4.36Å; L471-V491 HydrophobicContact CG-CG2 4.08Å
472V91.6Very high91.4Very high11 Ų1144 Ų447%0.06723%0.233CC..  trans-147.9156.7173-66.30000109.3L470 M479 W483L470-V472 HydrophobicContact CB-CG2 3.8Å; L470-V472 PolarHBondContact O-N 3.21Å; V472-M479 HydrophobicContact CB-CE 3.94Å; V472-M479 HydrophobicContact CG1-CE 3.52Å; V472-M479 HydrophobicContact CG2-CE 3.7Å; V472-M479 HydrophobicContact CG2-SD 4.08Å; V472-W483 HydrophobicContact CG1-CH2 4.33Å; V472-W483 HydrophobicContact CG2-CH2 4.34Å
473H88.9Confident91.3Very high40 Ų4044.9 Ų44.919%0.18524%0.237CC..SBendtrans-90.9-35.4177.1-61.7-52.1000112.5M294 L330 P518M294-H473 VanDerWaalsContact CE-CE1 3.47Å; M294-H473 WeakPolarHBondContact CE-CE1 3.32Å; M294-H473 WeakPolarHBondContact CE-ND1 3.4Å; M294-H473 PolarHBondContact SD-CE1 3.39Å; L330-H473 WeakPolarHBondContact CB-NE2 3.27Å; L330-H473 PolarHBondContact N-CE1 3.08Å; L330-H473 VanDerWaalsContact N-CE1 3.32Å; L330-H473 PolarHBondContact N-NE2 2.91Å; L330-H473 VanDerWaalsContact N-NE2 3.11Å; L330-H473 PolarHBondContact O-NE2 3.14Å; H473-P518 WeakPolarHBondContact O-CB 3.36Å; H473-P518 WeakPolarHBondContact O-CG 3.42Å
474D86.6Confident91.3Very high93 Ų9344.1 Ų44.150%0.49723%0.232SC..SBendtrans-127.1147.4-177.5-61.8-62.6000111.8
475M86.9Confident91.2Very high54 Ų5445.2 Ų45.227%0.26624%0.237SC..  trans-73142.1171-66.3-62.3-68.200110.8L470 M479 P518 T520L470-M475 HydrophobicContact CD1-SD 3.93Å; M475-M479 HydrophobicContact CE-CB 3.61Å; M475-M479 HydrophobicContact CE-SD 4.29Å; M475-M479 HydrophobicContact SD-CB 4.5Å; M475-M479 HydrophobicContact SD-SD 4Å; M475-P518 HydrophobicContact CG-CB 3.99Å; M475-P518 HydrophobicContact CG-CG 4.15Å; M475-P518 HydrophobicContact SD-CG 4.21Å; M475-T520 WeakPolarHBondContact CB-OG1 3.43Å; M475-T520 VanDerWaalsContact CG-OG1 3.27Å; M475-T520 WeakPolarHBondContact CG-OG1 3.39Å
476S85.1Confident91Very high40 Ų4049.7 Ų49.728%0.2826%0.256SS..  trans-125.3160172.156.20000109.8E478 M479S476-E478 PolarHBondContact O-N 2.91Å; S476-E478 VanDerWaalsContact O-N 3.09Å; S476-M479 PolarHBondContact N-SD 3.47Å; S476-M479 VanDerWaalsContact N-SD 3.38Å; S476-M479 WeakPolarHBondContact O-CB 2.83Å; S476-M479 PolarHBondContact O-N 3.42Å; S476-M479 WeakPolarHBondContact OG-CE 3.31Å; S476-M479 WeakPolarHBondContact OG-CG 3.28Å; S476-M479 PolarHBondContact OG-SD 3.17Å
477E80.6Confident90.7Very high199 Ų19949.7 Ų49.793%0.9326%0.256SS*.THydrogen-bonded Turntrans-58.3-26.8-174.6-62.5-177.3177.200113.5M479E477-M479 PolarHBondContact O-N 3.19Å
478E79.8Confident90.7Very high151 Ų15149.7 Ų49.771%0.70626%0.255SS*.THydrogen-bonded Turntrans-73.3-13.6179.3-57.2179.1-179.200113.4S476 T480S476-E478 PolarHBondContact O-N 2.91Å; S476-E478 VanDerWaalsContact O-N 3.09Å; E478-T480 PolarHBondContact O-N 2.86Å; E478-T480 VanDerWaalsContact O-N 3.15Å
479M87.3Confident90.6Very high15 Ų1553 Ų537%0.07427%0.271CS..  trans-88.681.7-174.1-64.1173172.100111.8V472 M475 S476 E477 W483V472-M479 HydrophobicContact CB-CE 3.94Å; V472-M479 HydrophobicContact CG1-CE 3.52Å; V472-M479 HydrophobicContact CG2-CE 3.7Å; V472-M479 HydrophobicContact CG2-SD 4.08Å; M475-M479 HydrophobicContact CE-CB 3.61Å; M475-M479 HydrophobicContact CE-SD 4.29Å; M475-M479 HydrophobicContact SD-CB 4.5Å; M475-M479 HydrophobicContact SD-SD 4Å; S476-M479 PolarHBondContact N-SD 3.47Å; S476-M479 VanDerWaalsContact N-SD 3.38Å; S476-M479 WeakPolarHBondContact O-CB 2.83Å; S476-M479 PolarHBondContact O-N 3.42Å; S476-M479 WeakPolarHBondContact OG-CE 3.31Å; S476-M479 WeakPolarHBondContact OG-CG 3.28Å; S476-M479 PolarHBondContact OG-SD 3.17Å; E477-M479 PolarHBondContact O-N 3.19Å; M479-W483 HydrophobicContact CB-CD2 4.19Å; M479-W483 HydrophobicContact CB-CE3 3.93Å; M479-W483 HydrophobicContact CB-CZ3 4.23Å; M479-W483 HydrophobicContact CE-CH2 3.57Å; M479-W483 HydrophobicContact CE-CZ2 3.81Å; M479-W483 HydrophobicContact CE-CZ3 4.24Å; M479-W483 HydrophobicContact CG-CD2 4.04Å; M479-W483 HydrophobicContact CG-CE3 3.91Å; M479-W483 HydrophobicContact CG-CH2 3.89Å; M479-W483 HydrophobicContact CG-CZ2 3.9Å; M479-W483 HydrophobicContact CG-CZ3 3.85Å; M479-W483 HydrophobicContact SD-CH2 3.95Å; M479-W483 HydrophobicContact SD-CZ2 4.42Å; M479-W483 HydrophobicContact SD-CZ3 4.02Å
480T90.3Very high90.6Very high81 Ų8154.6 Ų54.650%0.49728%0.279SS..  trans-68.6165176.562.50000113.2E478 W483 C484E478-T480 PolarHBondContact O-N 2.86Å; E478-T480 VanDerWaalsContact O-N 3.15Å; T480-W483 VanDerWaalsContact O-CB 3.28Å; T480-W483 WeakPolarHBondContact O-CB 3.34Å; T480-W483 PolarHBondContact O-N 2.98Å; T480-W483 VanDerWaalsContact O-N 3.1Å; T480-W483 WeakPolarHBondContact OG1-CB 3.4Å; T480-C484 PolarHBondContact O-N 3.44Å; T480-C484 VanDerWaalsContact O-N 3.09Å; T480-C484 PolarHBondContact O-SG 3.23Å; T480-C484 VanDerWaalsContact O-SG 3.38Å
481I91.2Very high90.7Very high88 Ų8854.6 Ų54.645%0.45128%0.279SS..Hα-helixtrans-53.7-50.3174.8-67.3167.8000111.9W483 C484 L485 M525I481-W483 VanDerWaalsContact C-N 3.26Å; I481-W483 PolarHBondContact O-N 3.46Å; I481-C484 PolarHBondContact O-N 2.97Å; I481-C484 VanDerWaalsContact O-N 3.11Å; I481-L485 HydrophobicContact CG2-CD1 3.97Å; I481-L485 HydrophobicContact CG2-CG 4.29Å; I481-L485 WeakPolarHBondContact O-CG 3.37Å; I481-L485 PolarHBondContact O-N 2.97Å; I481-M525 HydrophobicContact CB-SD 4.23Å; I481-M525 HydrophobicContact CG1-SD 4.11Å; I481-M525 HydrophobicContact CG2-SD 3.8Å
482P92.1Very high90.8Very high91 Ų9154.5 Ų54.559%0.59128%0.279SS*.Hα-helixtrans-60.2-34.4176.8-24.735.2000113.7C484 K486P482-C484 VanDerWaalsContact C-N 3.31Å; P482-C484 PolarHBondContact O-N 3.06Å; P482-K486 VanDerWaalsContact O-CB 3.3Å; P482-K486 WeakPolarHBondContact O-CB 3.38Å; P482-K486 PolarHBondContact O-N 2.96Å
483W92.6Very high91Very high25 Ų2559.2 Ų59.210%0.09530%0.298CS..Hα-helixtrans-62.3-41.3176.8-178.8112.1000111.1R436 L470 V472 M479 T480 I481 R487R436-W483 PolarHBondContact O-NE1 3.18Å; L470-W483 HydrophobicContact CB-CZ3 4.27Å; V472-W483 HydrophobicContact CG1-CH2 4.33Å; V472-W483 HydrophobicContact CG2-CH2 4.34Å; M479-W483 HydrophobicContact CB-CD2 4.19Å; M479-W483 HydrophobicContact CB-CE3 3.93Å; M479-W483 HydrophobicContact CB-CZ3 4.23Å; M479-W483 HydrophobicContact CE-CH2 3.57Å; M479-W483 HydrophobicContact CE-CZ2 3.81Å; M479-W483 HydrophobicContact CE-CZ3 4.24Å; M479-W483 HydrophobicContact CG-CD2 4.04Å; M479-W483 HydrophobicContact CG-CE3 3.91Å; M479-W483 HydrophobicContact CG-CH2 3.89Å; M479-W483 HydrophobicContact CG-CZ2 3.9Å; M479-W483 HydrophobicContact CG-CZ3 3.85Å; M479-W483 HydrophobicContact SD-CH2 3.95Å; M479-W483 HydrophobicContact SD-CZ2 4.42Å; M479-W483 HydrophobicContact SD-CZ3 4.02Å; T480-W483 VanDerWaalsContact O-CB 3.28Å; T480-W483 WeakPolarHBondContact O-CB 3.34Å; T480-W483 PolarHBondContact O-N 2.98Å; T480-W483 VanDerWaalsContact O-N 3.1Å; T480-W483 WeakPolarHBondContact OG1-CB 3.4Å; I481-W483 VanDerWaalsContact C-N 3.26Å; I481-W483 PolarHBondContact O-N 3.46Å; W483-R487 VanDerWaalsContact CH2-NE 3.31Å; W483-R487 VanDerWaalsContact CZ3-CD 3.45Å; W483-R487 PolarHBondContact O-N 3.31Å; W483-R487 PolarHBondContact O-NH1 3.17Å
484C93.6Very high91.4Very high2 Ų258 Ų581%0.01429%0.294CS..Hα-helixtrans-72.1-47179.8-630000111.6L470 T480 I481 P482 K486 R487 A488 M525L470-C484 HydrophobicContact CD1-CB 4.34Å; L470-C484 HydrophobicContact CD2-CB 4.05Å; T480-C484 PolarHBondContact O-N 3.44Å; T480-C484 VanDerWaalsContact O-N 3.09Å; T480-C484 PolarHBondContact O-SG 3.23Å; T480-C484 VanDerWaalsContact O-SG 3.38Å; I481-C484 PolarHBondContact O-N 2.97Å; I481-C484 VanDerWaalsContact O-N 3.11Å; P482-C484 VanDerWaalsContact C-N 3.31Å; P482-C484 PolarHBondContact O-N 3.06Å; C484-K486 PolarHBondContact O-N 3.34Å; C484-R487 PolarHBondContact O-N 2.76Å; C484-A488 WeakPolarHBondContact O-CB 3.32Å; C484-A488 PolarHBondContact O-N 3.49Å; C484-M525 HydrophobicContact CB-CE 3.21Å; C484-M525 HydrophobicContact CB-SD 4.28Å
485L94.1Very high91.8Very high47 Ų4753.6 Ų53.625%0.24627%0.27CS..Hα-helixtrans-59.8-47.6179.3-66.4177.8000111.8I481 R487 A488 E489 M525 Q528 L529 M532I481-L485 HydrophobicContact CG2-CD1 3.97Å; I481-L485 HydrophobicContact CG2-CG 4.29Å; I481-L485 WeakPolarHBondContact O-CG 3.37Å; I481-L485 PolarHBondContact O-N 2.97Å; L485-R487 VanDerWaalsContact C-N 3.27Å; L485-R487 PolarHBondContact O-N 3.19Å; L485-A488 PolarHBondContact O-N 2.81Å; L485-E489 WeakPolarHBondContact O-CB 3.45Å; L485-E489 PolarHBondContact O-N 3.12Å; L485-M525 HydrophobicContact CD2-CE 3.5Å; L485-M525 HydrophobicContact CD2-SD 4.4Å; L485-M525 HydrophobicContact CG-CE 3.77Å; L485-Q528 HydrophobicContact CD2-CB 4Å; L485-L529 HydrophobicContact CD2-CD2 4.07Å; L485-M532 HydrophobicContact CD2-SD 3.98Å
486K93.1Very high92.1Very high99 Ų9954 Ų5443%0.4327%0.27SS..Hα-helixtrans-60-37.6179.8-174.7-179177-170.70112.3G438 P482 C484 L490G438-K486 PolarHBondContact O-NZ 2.92Å; P482-K486 VanDerWaalsContact O-CB 3.3Å; P482-K486 WeakPolarHBondContact O-CB 3.38Å; P482-K486 PolarHBondContact O-N 2.96Å; C484-K486 PolarHBondContact O-N 3.34Å; K486-L490 WeakPolarHBondContact O-CB 3.33Å; K486-L490 PolarHBondContact O-N 2.76Å; K486-L490 VanDerWaalsContact O-N 3.13Å
487R93.1Very high92.4Very high3 Ų353.8 Ų53.81%0.01128%0.275CS..Hα-helixtrans-73.4-48.1178.1-87.9177.9179.873.7-7.2113V435 R436 S437 I440 L470 W483 C484 L485 E489 L490 V491V435-R487 PolarHBondContact O-NE 3.03Å; V435-R487 PolarHBondContact O-NH2 3.27Å; R436-R487 PolarHBondContact O-NH2 3.24Å; S437-R487 VanDerWaalsContact C-NH2 3.34Å; S437-R487 PolarHBondContact O-NH2 3.25Å; I440-R487 HydrophobicContact CG2-CG 3.83Å; L470-R487 HydrophobicContact CD2-CB 4.4Å; W483-R487 VanDerWaalsContact CH2-NE 3.31Å; W483-R487 VanDerWaalsContact CZ3-CD 3.45Å; W483-R487 PolarHBondContact O-N 3.31Å; W483-R487 PolarHBondContact O-NH1 3.17Å; C484-R487 PolarHBondContact O-N 2.76Å; L485-R487 VanDerWaalsContact C-N 3.27Å; L485-R487 PolarHBondContact O-N 3.19Å; R487-E489 PolarHBondContact O-N 3.04Å; R487-L490 WeakPolarHBondContact O-CB 3.25Å; R487-L490 PolarHBondContact O-N 3.46Å; R487-L490 VanDerWaalsContact O-N 3.12Å; R487-V491 WeakPolarHBondContact O-CG2 3.45Å; R487-V491 PolarHBondContact O-N 2.82Å
488A95.9Very high93Very high0 Ų045.3 Ų45.30%024%0.235CC..Hα-helixtrans-57.8-43.8176.400000110.6L469 L470 C484 L485 L490 V491 F492 L529 M532L469-A488 HydrophobicContact CD1-CB 4.07Å; L469-A488 HydrophobicContact CD2-CB 3.92Å; L469-A488 HydrophobicContact CG-CB 3.93Å; L470-A488 HydrophobicContact CD2-CB 4.38Å; C484-A488 WeakPolarHBondContact O-CB 3.32Å; C484-A488 PolarHBondContact O-N 3.49Å; L485-A488 PolarHBondContact O-N 2.81Å; A488-L490 PolarHBondContact O-N 2.91Å; A488-V491 PolarHBondContact O-N 2.81Å; A488-F492 HydrophobicContact CB-CD2 4.35Å; A488-F492 HydrophobicContact CB-CE2 4.08Å; A488-F492 VanDerWaalsContact O-CB 3.25Å; A488-F492 WeakPolarHBondContact O-CB 3.27Å; A488-F492 WeakPolarHBondContact O-CD2 3.22Å; A488-F492 WeakPolarHBondContact O-CG 3.42Å; A488-F492 PolarHBondContact O-N 3.24Å; A488-L529 HydrophobicContact CB-CD2 3.27Å; A488-M532 HydrophobicContact CB-SD 4.47Å
489E95.8Very high93.5Very high72 Ų7238.5 Ų38.534%0.33620%0.203SC..Hα-helixtrans-56.5-48174-158.4-176.6163.500112.4L485 R487 K493 M532 I536L485-E489 WeakPolarHBondContact O-CB 3.45Å; L485-E489 PolarHBondContact O-N 3.12Å; R487-E489 PolarHBondContact O-N 3.04Å; E489-K493 HydrophobicContact CG-CD 4.14Å; E489-K493 VanDerWaalsContact O-CB 3.31Å; E489-K493 WeakPolarHBondContact O-CB 3.05Å; E489-K493 VanDerWaalsContact O-CG 3.28Å; E489-K493 WeakPolarHBondContact O-CG 3.38Å; E489-K493 PolarHBondContact O-N 3.38Å; E489-K493 VanDerWaalsContact OE1-CE 3.31Å; E489-K493 WeakPolarHBondContact OE1-CE 3.07Å; E489-K493 IonicContact OE1-NZ 2.73Å; E489-K493 PolarHBondContact OE1-NZ 3.09Å; E489-M532 HydrophobicContact CB-CE 3.42Å; E489-M532 VanDerWaalsContact CB-CE 3.42Å; E489-M532 HydrophobicContact CG-CE 3.6Å; E489-I536 HydrophobicContact CG-CD1 3.99Å
490L95.4Very high93.5Very high32 Ų3242 Ų4217%0.16822%0.221CC..Hα-helixtrans-61.4-50.1179.2177.166.1000111.1I440 A442 I447 K486 R487 A488 K493 C494I440-L490 HydrophobicContact CB-CD2 4.3Å; I440-L490 HydrophobicContact CG1-CD2 4.01Å; I440-L490 HydrophobicContact CG2-CD2 3.73Å; A442-L490 HydrophobicContact CB-CD1 4.18Å; I447-L490 HydrophobicContact CD1-CD2 4.41Å; I447-L490 HydrophobicContact CD1-CG 4.49Å; I447-L490 HydrophobicContact CG1-CD2 4.41Å; K486-L490 WeakPolarHBondContact O-CB 3.33Å; K486-L490 PolarHBondContact O-N 2.76Å; K486-L490 VanDerWaalsContact O-N 3.13Å; R487-L490 WeakPolarHBondContact O-CB 3.25Å; R487-L490 PolarHBondContact O-N 3.46Å; R487-L490 VanDerWaalsContact O-N 3.12Å; A488-L490 PolarHBondContact O-N 2.91Å; L490-K493 PolarHBondContact O-N 3.09Å; L490-C494 VanDerWaalsContact O-CB 3.32Å; L490-C494 WeakPolarHBondContact O-CB 3.5Å; L490-C494 PolarHBondContact O-N 2.93Å; L490-C494 PolarHBondContact O-SG 2.86Å
491V97Very high93.4Very high1 Ų141.3 Ų41.31%0.00621%0.212CC..Hα-helixtrans-64-46.8-178.7172.20000110.4I447 L469 L471 R487 A488 K493 C494 V495 F515I447-V491 HydrophobicContact CD1-CG2 3.82Å; L469-V491 HydrophobicContact CD1-CB 4.14Å; L469-V491 HydrophobicContact CD1-CG1 3.99Å; L469-V491 WeakPolarHBondContact O-CG2 3.41Å; L471-V491 HydrophobicContact CD1-CG2 4.23Å; L471-V491 HydrophobicContact CD2-CG2 4.36Å; L471-V491 HydrophobicContact CG-CG2 4.08Å; R487-V491 WeakPolarHBondContact O-CG2 3.45Å; R487-V491 PolarHBondContact O-N 2.82Å; A488-V491 PolarHBondContact O-N 2.81Å; V491-K493 PolarHBondContact O-N 2.84Å; V491-C494 PolarHBondContact O-N 3.43Å; V491-V495 HydrophobicContact CG1-CG2 4.15Å; V491-V495 WeakPolarHBondContact O-CB 3.29Å; V491-V495 VanDerWaalsContact O-CG2 3.3Å; V491-V495 WeakPolarHBondContact O-CG2 3.47Å; V491-V495 PolarHBondContact O-N 2.83Å; V491-F515 HydrophobicContact CG1-CE1 4.1Å
492F97.1Very high93Very high0 Ų037.2 Ų37.20%019%0.191CC..Hα-helixtrans-56.7-48.6174.8-71.8-33.4000112.1L469 A488 K496 F515 M532 L533 I536 F537L469-F492 HydrophobicContact CD1-CD1 3.73Å; L469-F492 HydrophobicContact CD1-CE1 3.35Å; L469-F492 HydrophobicContact CD1-CE2 4.25Å; L469-F492 HydrophobicContact CD1-CG 4.33Å; L469-F492 HydrophobicContact CD1-CZ 3.66Å; L469-F492 HydrophobicContact CD2-CE1 3.98Å; L469-F492 HydrophobicContact CD2-CE2 4.22Å; L469-F492 HydrophobicContact CD2-CZ 3.52Å; L469-F492 HydrophobicContact CG-CE1 4.32Å; L469-F492 HydrophobicContact CG-CZ 4.26Å; A488-F492 HydrophobicContact CB-CD2 4.35Å; A488-F492 HydrophobicContact CB-CE2 4.08Å; A488-F492 VanDerWaalsContact O-CB 3.25Å; A488-F492 WeakPolarHBondContact O-CB 3.27Å; A488-F492 WeakPolarHBondContact O-CD2 3.22Å; A488-F492 WeakPolarHBondContact O-CG 3.42Å; A488-F492 PolarHBondContact O-N 3.24Å; F492-K496 VanDerWaalsContact O-CB 3.25Å; F492-K496 WeakPolarHBondContact O-CB 3.42Å; F492-K496 PolarHBondContact O-N 2.82Å; F492-F515 HydrophobicContact CD1-CD1 4.2Å; F492-F515 HydrophobicContact CD1-CD2 4.06Å; F492-F515 AromaticContact CD1-CE1 3.92Å; F492-F515 HydrophobicContact CD1-CE1 3.92Å; F492-F515 AromaticContact CD1-CE2 3.75Å; F492-F515 HydrophobicContact CD1-CE2 3.75Å; F492-F515 HydrophobicContact CD1-CG 4.25Å; F492-F515 AromaticContact CD1-CZ 3.68Å; F492-F515 HydrophobicContact CD1-CZ 3.68Å; F492-F515 HydrophobicContact CE1-CB 4.21Å; F492-F515 AromaticContact CE1-CD1 3.94Å; F492-F515 HydrophobicContact CE1-CD1 3.94Å; F492-F515 AromaticContact CE1-CD2 3.55Å; F492-F515 HydrophobicContact CE1-CD2 3.55Å; F492-F515 HydrophobicContact CE1-CE1 4.13Å; F492-F515 AromaticContact CE1-CE2 3.74Å; F492-F515 HydrophobicContact CE1-CE2 3.74Å; F492-F515 AromaticContact CE1-CG 3.63Å; F492-F515 HydrophobicContact CE1-CG 3.63Å; F492-F515 HydrophobicContact CE1-CZ 4.03Å; F492-M532 HydrophobicContact CD2-CB 4.24Å; F492-M532 HydrophobicContact CE2-CB 4.12Å; F492-L533 HydrophobicContact CD1-CD2 3.69Å; F492-L533 HydrophobicContact CD2-CD2 4.33Å; F492-L533 HydrophobicContact CE1-CD2 3.43Å; F492-L533 VanDerWaalsContact CE1-CD2 3.43Å; F492-L533 HydrophobicContact CE1-CG 4.08Å; F492-L533 HydrophobicContact CE2-CD2 4.11Å; F492-L533 HydrophobicContact CE2-CG 4.13Å; F492-L533 HydrophobicContact CG-CD2 4.15Å; F492-L533 HydrophobicContact CZ-CD1 4.28Å; F492-L533 HydrophobicContact CZ-CD2 3.65Å; F492-L533 HydrophobicContact CZ-CG 3.77Å; F492-I536 HydrophobicContact CB-CD1 3.67Å; F492-I536 HydrophobicContact CB-CG2 4.14Å; F492-I536 HydrophobicContact CD2-CD1 3.83Å; F492-I536 HydrophobicContact CG-CD1 4.22Å; F492-F537 HydrophobicContact CB-CE2 3.88Å; F492-F537 HydrophobicContact CB-CZ 4.43Å; F492-F537 HydrophobicContact CD1-CE2 4.14Å; F492-F537 HydrophobicContact CG-CE2 4.18Å; F492-F537 WeakPolarHBondContact O-CZ 3.25Å
493K95.3Very high92.3Very high111 Ų11134.1 Ų34.148%0.48317%0.173SC..Hα-helixtrans-63.6-42178.6-76.8175.9173.1175.50112.3E489 L490 V491 G497 I536E489-K493 HydrophobicContact CG-CD 4.14Å; E489-K493 VanDerWaalsContact O-CB 3.31Å; E489-K493 WeakPolarHBondContact O-CB 3.05Å; E489-K493 VanDerWaalsContact O-CG 3.28Å; E489-K493 WeakPolarHBondContact O-CG 3.38Å; E489-K493 PolarHBondContact O-N 3.38Å; E489-K493 VanDerWaalsContact OE1-CE 3.31Å; E489-K493 WeakPolarHBondContact OE1-CE 3.07Å; E489-K493 IonicContact OE1-NZ 2.73Å; E489-K493 PolarHBondContact OE1-NZ 3.09Å; L490-K493 PolarHBondContact O-N 3.09Å; V491-K493 PolarHBondContact O-N 2.84Å; K493-G497 PolarHBondContact O-N 2.95Å; K493-I536 HydrophobicContact CG-CD1 4.48Å; K493-I536 HydrophobicContact CG-CG2 3.97Å
494C96.4Very high91.2Very high13 Ų1337.4 Ų37.49%0.08820%0.199CC..Hα-helixtrans-66.7-50.6178.9-69.10000111.1I447 L490 V491 K496 G497 F498I447-C494 HydrophobicContact CG2-CB 3.89Å; L490-C494 VanDerWaalsContact O-CB 3.32Å; L490-C494 WeakPolarHBondContact O-CB 3.5Å; L490-C494 PolarHBondContact O-N 2.93Å; L490-C494 PolarHBondContact O-SG 2.86Å; V491-C494 PolarHBondContact O-N 3.43Å; C494-K496 VanDerWaalsContact C-N 3.32Å; C494-K496 PolarHBondContact O-N 2.75Å; C494-G497 CarbonylContact O-C 3.56Å; C494-G497 WeakPolarHBondContact O-CA 3.5Å; C494-G497 PolarHBondContact O-N 3.33Å; C494-F498 HydrophobicContact CB-CD2 4.45Å; C494-F498 HydrophobicContact CB-CE1 4.47Å; C494-F498 HydrophobicContact CB-CE2 3.7Å; C494-F498 HydrophobicContact CB-CZ 3.71Å; C494-F498 WeakPolarHBondContact O-CD1 3.24Å; C494-F498 VanDerWaalsContact O-CD2 3.25Å; C494-F498 WeakPolarHBondContact O-CD2 3.28Å; C494-F498 WeakPolarHBondContact O-CG 3.38Å; C494-F498 PolarHBondContact O-N 3.21Å
495V95.6Very high89.9Confident1 Ų142.9 Ų42.91%0.00622%0.22CC..Hα-helixtrans-59.1-42.9177.4171.40000111.1L454 I467 V491 G497 F498 M499 V513 F515L454-V495 HydrophobicContact CD1-CG1 4.13Å; L454-V495 HydrophobicContact CD1-CG2 4.34Å; I467-V495 HydrophobicContact CD1-CG2 4.39Å; V491-V495 HydrophobicContact CG1-CG2 4.15Å; V491-V495 WeakPolarHBondContact O-CB 3.29Å; V491-V495 VanDerWaalsContact O-CG2 3.3Å; V491-V495 WeakPolarHBondContact O-CG2 3.47Å; V491-V495 PolarHBondContact O-N 2.83Å; V495-G497 VanDerWaalsContact C-N 3.33Å; V495-G497 PolarHBondContact O-N 3.17Å; V495-F498 PolarHBondContact O-N 2.97Å; V495-M499 HydrophobicContact CG1-CG 4.18Å; V495-M499 HydrophobicContact CG1-SD 3.92Å; V495-M499 WeakPolarHBondContact O-CB 3.44Å; V495-M499 VanDerWaalsContact O-CG 3.29Å; V495-M499 WeakPolarHBondContact O-CG 3.35Å; V495-M499 PolarHBondContact O-N 3.47Å; V495-V513 HydrophobicContact CG1-CG1 4.23Å; V495-F515 HydrophobicContact CB-CE1 4.38Å; V495-F515 HydrophobicContact CB-CZ 4.12Å; V495-F515 HydrophobicContact CG1-CE1 4.37Å; V495-F515 HydrophobicContact CG1-CZ 3.85Å; V495-F515 HydrophobicContact CG2-CE1 4.12Å; V495-F515 HydrophobicContact CG2-CZ 4.36Å
496K92.8Very high88.6Confident62 Ų6241.9 Ų41.927%0.2722%0.215SC..Hα-helixtrans-54.2-49.1171.9-177.2-176.9171.5-174.40111.8L277 F492 C494 M500 I536 F537L277-K496 HydrophobicContact CD2-CG 4.09Å; F492-K496 VanDerWaalsContact O-CB 3.25Å; F492-K496 WeakPolarHBondContact O-CB 3.42Å; F492-K496 PolarHBondContact O-N 2.82Å; C494-K496 VanDerWaalsContact C-N 3.32Å; C494-K496 PolarHBondContact O-N 2.75Å; K496-M500 HydrophobicContact CG-SD 4.4Å; K496-M500 WeakPolarHBondContact O-CG 3.39Å; K496-M500 PolarHBondContact O-N 2.97Å; K496-I536 HydrophobicContact CD-CG2 4.15Å; K496-I536 WeakPolarHBondContact CD-O 3.4Å; K496-I536 WeakPolarHBondContact CE-O 3.42Å; K496-I536 PolarHBondContact NZ-O 2.79Å; K496-F537 HydrophobicContact CB-CD1 4.13Å; K496-F537 HydrophobicContact CB-CE1 3.44Å; K496-F537 VanDerWaalsContact CB-CE1 3.44Å; K496-F537 HydrophobicContact CB-CZ 3.82Å; K496-F537 HydrophobicContact CD-CD1 4.17Å; K496-F537 HydrophobicContact CD-CE1 4.32Å; K496-F537 HydrophobicContact CG-CD1 3.98Å; K496-F537 HydrophobicContact CG-CE1 3.79Å
497G91.9Very high87.4Confident36 Ų3641.2 Ų41.237%0.37124%0.236SC..Hα-helixtrans-61.4-42.4178.100000112.6K493 C494 V495 M500 E501K493-G497 PolarHBondContact O-N 2.95Å; C494-G497 CarbonylContact O-C 3.56Å; C494-G497 WeakPolarHBondContact O-CA 3.5Å; C494-G497 PolarHBondContact O-N 3.33Å; V495-G497 VanDerWaalsContact C-N 3.33Å; V495-G497 PolarHBondContact O-N 3.17Å; G497-M500 PolarHBondContact O-N 2.63Å; G497-E501 PolarHBondContact O-N 3.37Å
498F92.4Very high86.3Confident22 Ų2242.5 Ų42.510%0.09625%0.251CS..Hα-helixtrans-67.8-43.3179.4-54.5-25.3000111.9I447 R451 L454 C494 V495 M500 E501 M502I447-F498 HydrophobicContact CG2-CE2 4.09Å; I447-F498 HydrophobicContact CG2-CZ 3.84Å; R451-F498 HydrophobicContact CB-CD1 3.98Å; R451-F498 HydrophobicContact CB-CD2 3.72Å; R451-F498 HydrophobicContact CB-CE1 3.88Å; R451-F498 HydrophobicContact CB-CE2 3.57Å; R451-F498 HydrophobicContact CB-CG 3.93Å; R451-F498 HydrophobicContact CB-CZ 3.66Å; R451-F498 VanDerWaalsContact CD-CE1 3.47Å; R451-F498 HydrophobicContact CG-CB 4.4Å; R451-F498 HydrophobicContact CG-CD1 3.54Å; R451-F498 HydrophobicContact CG-CD2 4.09Å; R451-F498 HydrophobicContact CG-CE1 3.75Å; R451-F498 HydrophobicContact CG-CE2 4.24Å; R451-F498 HydrophobicContact CG-CG 3.74Å; R451-F498 HydrophobicContact CG-CZ 4.09Å; L454-F498 HydrophobicContact CD1-CB 3.93Å; L454-F498 HydrophobicContact CD1-CD2 4.11Å; C494-F498 HydrophobicContact CB-CD2 4.45Å; C494-F498 HydrophobicContact CB-CE1 4.47Å; C494-F498 HydrophobicContact CB-CE2 3.7Å; C494-F498 HydrophobicContact CB-CZ 3.71Å; C494-F498 WeakPolarHBondContact O-CD1 3.24Å; C494-F498 VanDerWaalsContact O-CD2 3.25Å; C494-F498 WeakPolarHBondContact O-CD2 3.28Å; C494-F498 WeakPolarHBondContact O-CG 3.38Å; C494-F498 PolarHBondContact O-N 3.21Å; V495-F498 PolarHBondContact O-N 2.97Å; F498-M500 VanDerWaalsContact C-N 3.31Å; F498-M500 PolarHBondContact O-N 3.16Å; F498-E501 WeakPolarHBondContact O-CB 3.48Å; F498-E501 PolarHBondContact O-N 3.05Å; F498-M502 HydrophobicContact CB-CE 4.29Å; F498-M502 WeakPolarHBondContact O-CB 3.4Å; F498-M502 WeakPolarHBondContact O-CG 3.43Å; F498-M502 PolarHBondContact O-N 3.36Å
499M90.3Very high85.7Confident8 Ų846 Ų464%0.03927%0.268CS..Hα-helixtrans-60.8-40.7174.4-69.7176.977.300111.6I275 L277 H285 L287 V495 M502 A503 V513I275-M499 HydrophobicContact CD1-CE 4.5Å; L277-M499 HydrophobicContact CD1-CB 3.48Å; L277-M499 VanDerWaalsContact CD1-CB 3.48Å; L277-M499 HydrophobicContact CD1-CE 3.82Å; L277-M499 HydrophobicContact CD1-CG 4.36Å; L277-M499 HydrophobicContact CD1-SD 4.02Å; H285-M499 HydrophobicContact CB-CE 3.69Å; L287-M499 HydrophobicContact CD2-SD 4.41Å; V495-M499 HydrophobicContact CG1-CG 4.18Å; V495-M499 HydrophobicContact CG1-SD 3.92Å; V495-M499 WeakPolarHBondContact O-CB 3.44Å; V495-M499 VanDerWaalsContact O-CG 3.29Å; V495-M499 WeakPolarHBondContact O-CG 3.35Å; V495-M499 PolarHBondContact O-N 3.47Å; M499-M502 PolarHBondContact O-N 2.99Å; M499-A503 WeakPolarHBondContact O-CB 3.39Å; M499-A503 PolarHBondContact O-N 3.32Å; M499-V513 HydrophobicContact CE-CG2 3.97Å; M499-V513 HydrophobicContact SD-CG2 3.77Å
500M88.1Confident85.2Confident89 Ų8945.1 Ų45.144%0.43827%0.27SS..Hα-helixtrans-65.1-39.4175.2-74.6-179.462.500112.8L277 K496 G497 F498 M502L277-M500 HydrophobicContact CB-CG 4.18Å; L277-M500 HydrophobicContact CD2-CG 4.27Å; K496-M500 HydrophobicContact CG-SD 4.4Å; K496-M500 WeakPolarHBondContact O-CG 3.39Å; K496-M500 PolarHBondContact O-N 2.97Å; G497-M500 PolarHBondContact O-N 2.63Å; F498-M500 VanDerWaalsContact C-N 3.31Å; F498-M500 PolarHBondContact O-N 3.16Å; M500-M502 VanDerWaalsContact C-N 3.32Å
501E87.5Confident85Confident65 Ų6544.6 Ų44.630%0.30427%0.266SS..Hα-helixtrans-60.1-45.5174.3-175.1-172.7155.900110.8R451 G497 F498 S504R451-E501 IonicContact CZ-OE1 2.99Å; R451-E501 IonicContact CZ-OE2 3.65Å; R451-E501 IonicContact NE-OE1 3.96Å; R451-E501 IonicContact NE-OE2 2.76Å; R451-E501 PolarHBondContact NE-OE2 3.42Å; R451-E501 IonicContact NH2-OE1 3.55Å; R451-E501 PolarHBondContact NH2-OE1 2.89Å; R451-E501 IonicContact NH2-OE2 3.34Å; R451-E501 PolarHBondContact NH2-OE2 3.33Å; G497-E501 PolarHBondContact O-N 3.37Å; F498-E501 WeakPolarHBondContact O-CB 3.48Å; F498-E501 PolarHBondContact O-N 3.05Å; E501-S504 PolarHBondContact O-OG 2.79Å
502M83.4Confident84.9Confident3 Ų345.8 Ų45.82%0.01527%0.273CS..Hα-helixtrans-80.3-19.3-173.9-66.7166.9-172.400114.5R451 L454 K455 C458 F498 M499 M500 S504 W505R451-M502 HydrophobicContact CG-CE 4.47Å; R451-M502 WeakPolarHBondContact O-CE 3.47Å; L454-M502 HydrophobicContact CB-CE 3.73Å; L454-M502 HydrophobicContact CB-SD 3.64Å; K455-M502 VanDerWaalsContact CA-CE 3.48Å; K455-M502 HydrophobicContact CB-CE 3.67Å; C458-M502 VanDerWaalsContact SG-CB 3.51Å; C458-M502 PolarHBondContact SG-SD 2.72Å; F498-M502 HydrophobicContact CB-CE 4.29Å; F498-M502 WeakPolarHBondContact O-CB 3.4Å; F498-M502 WeakPolarHBondContact O-CG 3.43Å; F498-M502 PolarHBondContact O-N 3.36Å; M499-M502 PolarHBondContact O-N 2.99Å; M500-M502 VanDerWaalsContact C-N 3.32Å; M502-S504 PolarHBondContact O-N 2.93Å; M502-S504 VanDerWaalsContact O-N 3.09Å; M502-W505 HydrophobicContact CG-CE3 4.5Å; M502-W505 PolarHBondContact O-N 3.28Å
503A76.8Confident84.9Confident26 Ų2646 Ų4622%0.21527%0.274CS..THydrogen-bonded Turntrans-57.2-24.4175.500000112.3M499 W505M499-A503 WeakPolarHBondContact O-CB 3.39Å; M499-A503 PolarHBondContact O-N 3.32Å; A503-W505 VanDerWaalsContact C-N 3.29Å; A503-W505 PolarHBondContact O-N 3.16Å
504S69.9Low85Confident93 Ų9341.4 Ų41.465%0.6526%0.255SS*.THydrogen-bonded Turntrans-72.3-16.8174.665.90000114.6E501 M502E501-S504 PolarHBondContact O-OG 2.79Å; M502-S504 PolarHBondContact O-N 2.93Å; M502-S504 VanDerWaalsContact O-N 3.09Å
505W66.9Low85Confident117 Ų11740.8 Ų40.844%0.44325%0.251SS..THydrogen-bonded Turntrans-101-23.9-171.9-63-5.6000113.9K455 M502 A503K455-W505 HydrophobicContact CB-CZ3 4.42Å; K455-W505 HydrophobicContact CD-CH2 3.86Å; K455-W505 HydrophobicContact CD-CZ3 3.48Å; K455-W505 VanDerWaalsContact CD-CZ3 3.48Å; K455-W505 HydrophobicContact CG-CZ3 3.69Å; M502-W505 HydrophobicContact CG-CE3 4.5Å; M502-W505 PolarHBondContact O-N 3.28Å; A503-W505 VanDerWaalsContact C-N 3.29Å; A503-W505 PolarHBondContact O-N 3.16Å
506D66.8Low85Confident26 Ų2640.9 Ų40.914%0.13925%0.251CS..SBendtrans-119.430.1-165.6-165.132.9000114.3G508 I509 R511D506-G508 PolarHBondContact O-N 2.9Å; D506-I509 WeakPolarHBondContact O-CG1 3.45Å; D506-I509 PolarHBondContact O-N 2.97Å; D506-I509 VanDerWaalsContact O-N 3.09Å; D506-I509 WeakPolarHBondContact OD1-CD1 3.33Å; D506-I509 WeakPolarHBondContact OD2-CB 3.37Å; D506-R511 IonicContact OD2-CZ 3.28Å; D506-R511 VanDerWaalsContact OD2-CZ 3.24Å; D506-R511 IonicContact OD2-NE 3.86Å; D506-R511 PolarHBondContact OD2-NE 3.47Å; D506-R511 IonicContact OD2-NH2 3.6Å; D506-R511 PolarHBondContact OD2-NH2 3.37Å
507G66.2Low85.1Confident85 Ų8538 Ų3888%0.87624%0.239SC*.THydrogen-bonded Turntrans59.57.417000000117.1
508G71Confident85Confident31 Ų3136.5 Ų36.532%0.3222%0.223SC..THydrogen-bonded Turntrans91.219-177.700000116.2D506 S510D506-G508 PolarHBondContact O-N 2.9Å; G508-S510 PolarHBondContact O-N 3.03Å
509I82.4Confident84.7Confident72 Ų7240.1 Ų40.137%0.36924%0.239SC..  trans-58.3130.3174.6-61.9178.2000110.6H285 T463 D506H285-I509 PolarHBondContact CE1-O 2.98Å; T463-I509 HydrophobicContact CG2-CG2 4.38Å; D506-I509 WeakPolarHBondContact O-CG1 3.45Å; D506-I509 PolarHBondContact O-N 2.97Å; D506-I509 VanDerWaalsContact O-N 3.09Å; D506-I509 WeakPolarHBondContact OD1-CD1 3.33Å; D506-I509 WeakPolarHBondContact OD2-CB 3.37Å
510S86.1Confident84.5Confident54 Ų5443.5 Ų43.538%0.37826%0.261SS..  trans-70.3139.3175.4-177.90000110.2M284 G508M284-S510 WeakPolarHBondContact O-CA 3.33Å; M284-S510 WeakPolarHBondContact O-CB 3.11Å; M284-S510 PolarHBondContact O-OG 3.06Å; M284-S510 VanDerWaalsContact O-OG 3.1Å; G508-S510 PolarHBondContact O-N 3.03Å
511R90.7Very high84.6Confident22 Ų2239.7 Ų39.78%0.08324%0.242CC..  trans-134152.2-177.8-61.7-162.9-166.9109.2-9.1110.8H285 N286 C458 T463 D506H285-R511 WeakPolarHBondContact CA-O 3.31Å; H285-R511 WeakPolarHBondContact CB-O 3.42Å; H285-R511 PolarHBondContact ND1-N 3.28Å; N286-R511 PolarHBondContact N-O 2.77Å; C458-R511 PolarHBondContact SG-NH1 2.92Å; C458-R511 PolarHBondContact SG-NH2 3.41Å; T463-R511 CarbonylContact O-C 3.55Å; T463-R511 VanDerWaalsContact O-CA 3.25Å; T463-R511 WeakPolarHBondContact O-CA 3.36Å; T463-R511 WeakPolarHBondContact O-CB 3.34Å; D506-R511 IonicContact OD2-CZ 3.28Å; D506-R511 VanDerWaalsContact OD2-CZ 3.24Å; D506-R511 IonicContact OD2-NE 3.86Å; D506-R511 PolarHBondContact OD2-NE 3.47Å; D506-R511 IonicContact OD2-NH2 3.6Å; D506-R511 PolarHBondContact OD2-NH2 3.37Å
512T95.3Very high84.7Confident26 Ų2639.7 Ų39.716%0.1625%0.249CC..EExtended strand (participates in β ladder)trans-111.6115.7177.7-56.90000109.6N286 R288 T463 T464 I465 Q514N286-T512 HydrophobicContact CB-CG2 4.22Å; N286-T512 CarbonylContact O-C 3.52Å; N286-T512 VanDerWaalsContact O-CA 3.24Å; N286-T512 WeakPolarHBondContact O-CA 3.35Å; R288-T512 HydrophobicContact CG-CG2 3.95Å; T463-T512 PolarHBondContact O-N 3.47Å; T464-T512 CarbonylContact C-O 3.58Å; T464-T512 VanDerWaalsContact CA-O 3.28Å; T464-T512 WeakPolarHBondContact CA-O 3.37Å; T464-T512 HydrophobicContact CG2-CG2 4.23Å; I465-T512 PolarHBondContact N-O 2.92Å; T512-Q514 HydrophobicContact CG2-CG 4.06Å
513V96.8Very high85.1Confident3 Ų344.2 Ų44.22%0.01827%0.27CS..EExtended strand (participates in β ladder)trans-102.4117.3170.4-1780000108.7N286 L287 R288 I465 I467 V495 M499 F515N286-V513 PolarHBondContact O-N 2.96Å; L287-V513 CarbonylContact C-O 3.5Å; L287-V513 WeakPolarHBondContact CA-O 3.43Å; L287-V513 HydrophobicContact CD2-CB 3.89Å; L287-V513 HydrophobicContact CD2-CG2 4.45Å; R288-V513 PolarHBondContact N-O 2.49Å; I465-V513 HydrophobicContact CG2-CB 4.4Å; I465-V513 HydrophobicContact CG2-CG1 4.31Å; I465-V513 HydrophobicContact CG2-CG2 3.96Å; I467-V513 HydrophobicContact CD1-CG1 3.86Å; V495-V513 HydrophobicContact CG1-CG1 4.23Å; M499-V513 HydrophobicContact CE-CG2 3.97Å; M499-V513 HydrophobicContact SD-CG2 3.77Å; V513-F515 HydrophobicContact CB-CE2 4.46Å; V513-F515 HydrophobicContact CG1-CD1 4.49Å; V513-F515 HydrophobicContact CG1-CD2 4.36Å; V513-F515 HydrophobicContact CG1-CE1 4.02Å; V513-F515 HydrophobicContact CG1-CE2 3.89Å; V513-F515 HydrophobicContact CG1-CZ 3.7Å
514Q97.1Very high85.8Confident15 Ų1549.3 Ų49.37%0.0729%0.29CS..EExtended strand (participates in β ladder)trans-98.5120.5176.7-53.2-173.6-4.300108.9R288 L290 T464 I465 S466 I467 T512 L516R288-Q514 HydrophobicContact CB-CB 4.48Å; R288-Q514 HydrophobicContact CB-CG 4.17Å; R288-Q514 HydrophobicContact CG-CG 4.36Å; R288-Q514 CarbonylContact O-C 3.57Å; R288-Q514 WeakPolarHBondContact O-CA 3.41Å; L290-Q514 HydrophobicContact CD1-CB 3.91Å; L290-Q514 HydrophobicContact CD1-CG 4.36Å; T464-Q514 HydrophobicContact CG2-CG 4.19Å; I465-Q514 PolarHBondContact O-N 3.06Å; S466-Q514 CarbonylContact C-O 3.54Å; S466-Q514 WeakPolarHBondContact CA-O 3.39Å; S466-Q514 PolarHBondContact OG-OE1 3.22Å; I467-Q514 PolarHBondContact N-O 2.96Å; T512-Q514 HydrophobicContact CG2-CG 4.06Å; Q514-L516 HydrophobicContact CB-CD1 4.44Å
515F97.5Very high86.8Confident0 Ų045.2 Ų45.20%026%0.26CS..EExtended strand (participates in β ladder)trans-97.5117.7174.2-66.9-72.3000108.6L287 R288 L289 L290 L469 V491 F492 V495 V513 L533L287-F515 HydrophobicContact CD1-CE2 4.36Å; L287-F515 HydrophobicContact CD2-CE2 4.09Å; R288-F515 PolarHBondContact O-N 3.38Å; L289-F515 WeakPolarHBondContact CA-O 3.35Å; L289-F515 HydrophobicContact CD1-CB 3.91Å; L290-F515 PolarHBondContact N-O 2.85Å; L469-F515 HydrophobicContact CB-CB 4.2Å; L469-F515 HydrophobicContact CD1-CB 4.37Å; L469-F515 HydrophobicContact CD1-CD1 3.76Å; L469-F515 HydrophobicContact CD1-CE1 4.33Å; L469-F515 HydrophobicContact CD1-CG 4.23Å; L469-F515 HydrophobicContact CD2-CB 4.43Å; V491-F515 HydrophobicContact CG1-CE1 4.1Å; F492-F515 HydrophobicContact CD1-CD1 4.2Å; F492-F515 HydrophobicContact CD1-CD2 4.06Å; F492-F515 AromaticContact CD1-CE1 3.92Å; F492-F515 HydrophobicContact CD1-CE1 3.92Å; F492-F515 AromaticContact CD1-CE2 3.75Å; F492-F515 HydrophobicContact CD1-CE2 3.75Å; F492-F515 HydrophobicContact CD1-CG 4.25Å; F492-F515 AromaticContact CD1-CZ 3.68Å; F492-F515 HydrophobicContact CD1-CZ 3.68Å; F492-F515 HydrophobicContact CE1-CB 4.21Å; F492-F515 AromaticContact CE1-CD1 3.94Å; F492-F515 HydrophobicContact CE1-CD1 3.94Å; F492-F515 AromaticContact CE1-CD2 3.55Å; F492-F515 HydrophobicContact CE1-CD2 3.55Å; F492-F515 HydrophobicContact CE1-CE1 4.13Å; F492-F515 AromaticContact CE1-CE2 3.74Å; F492-F515 HydrophobicContact CE1-CE2 3.74Å; F492-F515 AromaticContact CE1-CG 3.63Å; F492-F515 HydrophobicContact CE1-CG 3.63Å; F492-F515 HydrophobicContact CE1-CZ 4.03Å; V495-F515 HydrophobicContact CB-CE1 4.38Å; V495-F515 HydrophobicContact CB-CZ 4.12Å; V495-F515 HydrophobicContact CG1-CE1 4.37Å; V495-F515 HydrophobicContact CG1-CZ 3.85Å; V495-F515 HydrophobicContact CG2-CE1 4.12Å; V495-F515 HydrophobicContact CG2-CZ 4.36Å; V513-F515 HydrophobicContact CB-CE2 4.46Å; V513-F515 HydrophobicContact CG1-CD1 4.49Å; V513-F515 HydrophobicContact CG1-CD2 4.36Å; V513-F515 HydrophobicContact CG1-CE1 4.02Å; V513-F515 HydrophobicContact CG1-CE2 3.89Å; V513-F515 HydrophobicContact CG1-CZ 3.7Å; F515-L533 HydrophobicContact CE2-CD2 4.44Å
516L95.4Very high88.1Confident4 Ų439.7 Ų39.72%0.02124%0.239CC..EExtended strand (participates in β ladder)trans-99.8133.4178.4-67.994000110.2L290 A292 M294 F297 I467 L469 Q514L290-L516 WeakPolarHBondContact O-CA 3.47Å; A292-L516 HydrophobicContact CB-CD2 4.46Å; M294-L516 HydrophobicContact CG-CD2 4.2Å; F297-L516 HydrophobicContact CD2-CD2 3.98Å; F297-L516 HydrophobicContact CE2-CD2 3.31Å; F297-L516 HydrophobicContact CE2-CG 4.48Å; F297-L516 HydrophobicContact CZ-CD2 3.98Å; I467-L516 PolarHBondContact O-N 3.37Å; L469-L516 WeakPolarHBondContact CB-O 3.36Å; L469-L516 PolarHBondContact N-O 2.84Å; Q514-L516 HydrophobicContact CB-CD1 4.44Å
517V94.6Very high89.4Confident1 Ų143.5 Ų43.51%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-112.4144.5168.1-64.40000109.5L289 L290 R291 A292 L469 I521 F526 L529L289-V517 HydrophobicContact CD1-CG1 4.12Å; L290-V517 WeakPolarHBondContact O-CG2 3.17Å; L290-V517 PolarHBondContact O-N 2.87Å; R291-V517 HydrophobicContact CB-CG2 4.07Å; R291-V517 HydrophobicContact CG-CG2 4.48Å; A292-V517 PolarHBondContact N-O 3.1Å; L469-V517 HydrophobicContact CB-CG1 4.02Å; L469-V517 HydrophobicContact CD2-CG1 3.7Å; L469-V517 HydrophobicContact CG-CG1 4.39Å; V517-I521 HydrophobicContact CB-CD1 4.29Å; V517-I521 HydrophobicContact CB-CG2 4.35Å; V517-I521 HydrophobicContact CG2-CG2 3.85Å; V517-F526 HydrophobicContact CG2-CD2 3.85Å; V517-F526 HydrophobicContact CG2-CE2 4.31Å; V517-L529 HydrophobicContact CG1-CD1 3.71Å
518P90.9Very high90.8Very high5 Ų542.4 Ų42.43%0.03222%0.224CC..  trans-53.8142.5-178.9-26.834.6000112.3H473 M475 T520 I521H473-P518 WeakPolarHBondContact O-CB 3.36Å; H473-P518 WeakPolarHBondContact O-CG 3.42Å; M475-P518 HydrophobicContact CG-CB 3.99Å; M475-P518 HydrophobicContact CG-CG 4.15Å; M475-P518 HydrophobicContact SD-CG 4.21Å; P518-T520 PolarHBondContact O-N 3.23Å; P518-I521 WeakPolarHBondContact O-CB 3.37Å; P518-I521 WeakPolarHBondContact O-CG2 3.35Å; P518-I521 PolarHBondContact O-N 2.97Å; P518-I521 VanDerWaalsContact O-N 3.08Å
519H85.9Confident92Very high97 Ų9740.9 Ų40.945%0.44921%0.209SC..THydrogen-bonded Turntrans-59.7-22.7-178.268.2-84.8000113.6I521H519-I521 VanDerWaalsContact C-N 3.27Å; H519-I521 PolarHBondContact O-N 3.47Å
520T86.1Confident92.5Very high79 Ų7937.7 Ų37.749%0.48519%0.193SC..THydrogen-bonded Turntrans-78.7-3.9179.758.10000114.3M475 P518M475-T520 WeakPolarHBondContact CB-OG1 3.43Å; M475-T520 VanDerWaalsContact CG-OG1 3.27Å; M475-T520 WeakPolarHBondContact CG-OG1 3.39Å; P518-T520 PolarHBondContact O-N 3.23Å
521I89.1Confident92.9Very high9 Ų939.7 Ų39.75%0.04620%0.199CC..SBendtrans-71.8144.1-179.6-151.3171.7000111.8R291 L470 V517 P518 H519 M525 L529R291-I521 HydrophobicContact CG-CG2 4.1Å; L470-I521 HydrophobicContact CD1-CD1 4.35Å; V517-I521 HydrophobicContact CB-CD1 4.29Å; V517-I521 HydrophobicContact CB-CG2 4.35Å; V517-I521 HydrophobicContact CG2-CG2 3.85Å; P518-I521 WeakPolarHBondContact O-CB 3.37Å; P518-I521 WeakPolarHBondContact O-CG2 3.35Å; P518-I521 PolarHBondContact O-N 2.97Å; P518-I521 VanDerWaalsContact O-N 3.08Å; H519-I521 VanDerWaalsContact C-N 3.27Å; H519-I521 PolarHBondContact O-N 3.47Å; I521-M525 HydrophobicContact CD1-CB 4.17Å; I521-M525 HydrophobicContact CD1-CG 3.47Å; I521-M525 VanDerWaalsContact CD1-CG 3.47Å; I521-M525 HydrophobicContact CG1-CB 3.91Å; I521-M525 HydrophobicContact CG1-CG 3.68Å; I521-L529 HydrophobicContact CD1-CD1 3.86Å
522S90.1Very high93Very high65 Ų6539.7 Ų39.746%0.45520%0.201SC..  trans-69151.7176.469.10000111.8E524 M525 F526S522-E524 VanDerWaalsContact C-N 3.3Å; S522-E524 PolarHBondContact O-N 2.86Å; S522-M525 PolarHBondContact O-N 3.29Å; S522-M525 VanDerWaalsContact OG-CB 3.31Å; S522-M525 WeakPolarHBondContact OG-CB 3.37Å; S522-M525 PolarHBondContact OG-N 3.43Å; S522-F526 PolarHBondContact O-N 3.18Å
523E90.9Very high92.9Very high98 Ų9838.4 Ų38.446%0.45819%0.193SC..Hα-helixtrans-62.4-39178.7-48.1-161.2147.600111.6L269 R291 M525 F526 Y527L269-E523 HydrophobicContact CD1-CB 3.92Å; L269-E523 HydrophobicContact CD1-CG 3.87Å; R291-E523 IonicContact NH2-OE1 3.63Å; E523-M525 VanDerWaalsContact C-N 3.33Å; E523-M525 PolarHBondContact O-N 2.85Å; E523-F526 WeakPolarHBondContact O-CB 3.42Å; E523-F526 PolarHBondContact O-N 2.98Å; E523-Y527 HydrophobicContact CB-CE2 4.26Å; E523-Y527 WeakPolarHBondContact O-CD2 3.45Å; E523-Y527 PolarHBondContact O-N 3.09Å
524E91.6Very high92.5Very high134 Ų13441.3 Ų41.363%0.62621%0.212SC*.Hα-helixtrans-58.2-45.9176.2-174.4-177.8176.300111.7S522 F526 Y527 Q528S522-E524 VanDerWaalsContact C-N 3.3Å; S522-E524 PolarHBondContact O-N 2.86Å; E524-F526 VanDerWaalsContact C-N 3.35Å; E524-Y527 PolarHBondContact O-N 3.42Å; E524-Q528 WeakPolarHBondContact O-CG 3.27Å; E524-Q528 PolarHBondContact O-N 3.28Å
525M91.6Very high92.1Very high6 Ų648.3 Ų48.33%0.0324%0.244CC..Hα-helixtrans-65.3-40177.6-176.969.5-15200111.2I481 C484 L485 I521 S522 E523 Y527 Q528 L529I481-M525 HydrophobicContact CB-SD 4.23Å; I481-M525 HydrophobicContact CG1-SD 4.11Å; I481-M525 HydrophobicContact CG2-SD 3.8Å; C484-M525 HydrophobicContact CB-CE 3.21Å; C484-M525 HydrophobicContact CB-SD 4.28Å; L485-M525 HydrophobicContact CD2-CE 3.5Å; L485-M525 HydrophobicContact CD2-SD 4.4Å; L485-M525 HydrophobicContact CG-CE 3.77Å; I521-M525 HydrophobicContact CD1-CB 4.17Å; I521-M525 HydrophobicContact CD1-CG 3.47Å; I521-M525 VanDerWaalsContact CD1-CG 3.47Å; I521-M525 HydrophobicContact CG1-CB 3.91Å; I521-M525 HydrophobicContact CG1-CG 3.68Å; S522-M525 PolarHBondContact O-N 3.29Å; S522-M525 VanDerWaalsContact OG-CB 3.31Å; S522-M525 WeakPolarHBondContact OG-CB 3.37Å; S522-M525 PolarHBondContact OG-N 3.43Å; E523-M525 VanDerWaalsContact C-N 3.33Å; E523-M525 PolarHBondContact O-N 2.85Å; M525-Y527 PolarHBondContact O-N 3.48Å; M525-Q528 PolarHBondContact O-N 2.9Å; M525-L529 HydrophobicContact CE-CD1 4.06Å; M525-L529 HydrophobicContact CE-CD2 3.65Å; M525-L529 HydrophobicContact CE-CG 3.73Å; M525-L529 HydrophobicContact CG-CD1 4.48Å; M525-L529 VanDerWaalsContact O-CG 3.3Å; M525-L529 WeakPolarHBondContact O-CG 3.33Å; M525-L529 PolarHBondContact O-N 3.47Å
526F94.8Very high91.8Very high1 Ų149.1 Ų49.10%0.00425%0.249CC..Hα-helixtrans-56.6-48.1173.7178.3-84.6000111.6L269 E271 L289 R291 V517 S522 E523 E524 Q528 L529 S530L269-F526 VanDerWaalsContact C-CZ 3.49Å; L269-F526 HydrophobicContact CB-CD1 3.88Å; L269-F526 HydrophobicContact CB-CD2 3.9Å; L269-F526 HydrophobicContact CB-CE1 3.78Å; L269-F526 HydrophobicContact CB-CE2 3.78Å; L269-F526 HydrophobicContact CB-CG 3.96Å; L269-F526 HydrophobicContact CB-CZ 3.73Å; L269-F526 HydrophobicContact CD1-CB 3.94Å; L269-F526 HydrophobicContact CD1-CD1 4.04Å; L269-F526 HydrophobicContact CD1-CD2 4.38Å; L269-F526 HydrophobicContact CD1-CG 3.86Å; L269-F526 HydrophobicContact CD2-CD1 4.49Å; L269-F526 HydrophobicContact CG-CD1 4.38Å; L269-F526 VanDerWaalsContact O-CE2 3.23Å; L269-F526 WeakPolarHBondContact O-CE2 3.4Å; L269-F526 VanDerWaalsContact O-CZ 3.28Å; L269-F526 WeakPolarHBondContact O-CZ 3.38Å; E271-F526 HydrophobicContact CG-CE1 4.19Å; L289-F526 HydrophobicContact CB-CZ 4.44Å; L289-F526 HydrophobicContact CD2-CD2 4.44Å; L289-F526 HydrophobicContact CD2-CE1 4.47Å; L289-F526 HydrophobicContact CD2-CE2 4.03Å; L289-F526 HydrophobicContact CD2-CZ 4.03Å; L289-F526 HydrophobicContact CG-CD2 4.45Å; L289-F526 HydrophobicContact CG-CE2 3.73Å; L289-F526 HydrophobicContact CG-CZ 3.94Å; R291-F526 HydrophobicContact CB-CD2 4.08Å; R291-F526 HydrophobicContact CB-CE2 4.22Å; V517-F526 HydrophobicContact CG2-CD2 3.85Å; V517-F526 HydrophobicContact CG2-CE2 4.31Å; S522-F526 PolarHBondContact O-N 3.18Å; E523-F526 WeakPolarHBondContact O-CB 3.42Å; E523-F526 PolarHBondContact O-N 2.98Å; E524-F526 VanDerWaalsContact C-N 3.35Å; F526-Q528 VanDerWaalsContact C-N 3.34Å; F526-Q528 PolarHBondContact O-N 3.22Å; F526-L529 WeakPolarHBondContact O-CB 3.42Å; F526-L529 PolarHBondContact O-N 3.05Å; F526-L529 VanDerWaalsContact O-N 3.17Å; F526-S530 PolarHBondContact O-N 3.45Å
527Y94.2Very high91.4Very high107 Ų10749 Ų4942%0.4225%0.248SC..Hα-helixtrans-65.8-35177.9-69.9-59.2000112.7E271 E523 E524 M525 L529 S530 N531E271-Y527 WeakPolarHBondContact OE1-CE1 3.43Å; E523-Y527 HydrophobicContact CB-CE2 4.26Å; E523-Y527 WeakPolarHBondContact O-CD2 3.45Å; E523-Y527 PolarHBondContact O-N 3.09Å; E524-Y527 PolarHBondContact O-N 3.42Å; M525-Y527 PolarHBondContact O-N 3.48Å; Y527-L529 VanDerWaalsContact C-N 3.34Å; Y527-S530 PolarHBondContact O-N 3Å; Y527-N531 WeakPolarHBondContact O-CB 3.44Å; Y527-N531 VanDerWaalsContact O-CG 3.27Å; Y527-N531 PolarHBondContact O-N 2.82Å; Y527-N531 PolarHBondContact O-ND2 3.22Å
528Q94.8Very high90.4Very high61 Ų6158.4 Ų58.429%0.28528%0.283SS..Hα-helixtrans-61.1-43.8172-70.5-17922.400111.3L485 E524 M525 F526 N531 M532L485-Q528 HydrophobicContact CD2-CB 4Å; E524-Q528 WeakPolarHBondContact O-CG 3.27Å; E524-Q528 PolarHBondContact O-N 3.28Å; M525-Q528 PolarHBondContact O-N 2.9Å; F526-Q528 VanDerWaalsContact C-N 3.34Å; F526-Q528 PolarHBondContact O-N 3.22Å; Q528-N531 PolarHBondContact O-N 3.43Å; Q528-M532 WeakPolarHBondContact O-CG 3.49Å; Q528-M532 PolarHBondContact O-N 3.16Å
529L95.3Very high89.5Confident0 Ų060.6 Ų60.60%030%0.297CS..Hα-helixtrans-65-43.2176.4-65.4174.4000112.3L289 L469 L485 A488 V517 I521 M525 F526 Y527 N531 M532L289-L529 HydrophobicContact CD2-CB 4.13Å; L469-L529 HydrophobicContact CD2-CD1 4.28Å; L485-L529 HydrophobicContact CD2-CD2 4.07Å; A488-L529 HydrophobicContact CB-CD2 3.27Å; V517-L529 HydrophobicContact CG1-CD1 3.71Å; I521-L529 HydrophobicContact CD1-CD1 3.86Å; M525-L529 HydrophobicContact CE-CD1 4.06Å; M525-L529 HydrophobicContact CE-CD2 3.65Å; M525-L529 HydrophobicContact CE-CG 3.73Å; M525-L529 HydrophobicContact CG-CD1 4.48Å; M525-L529 VanDerWaalsContact O-CG 3.3Å; M525-L529 WeakPolarHBondContact O-CG 3.33Å; M525-L529 PolarHBondContact O-N 3.47Å; F526-L529 WeakPolarHBondContact O-CB 3.42Å; F526-L529 PolarHBondContact O-N 3.05Å; F526-L529 VanDerWaalsContact O-N 3.17Å; Y527-L529 VanDerWaalsContact C-N 3.34Å; L529-N531 VanDerWaalsContact C-N 3.35Å; L529-N531 PolarHBondContact O-N 3.28Å; L529-M532 HydrophobicContact CD2-SD 4.32Å; L529-M532 WeakPolarHBondContact O-CB 3.44Å; L529-M532 PolarHBondContact O-N 3.38Å
530S94.4Very high88.2Confident4 Ų458.5 Ų58.53%0.02829%0.293CS..Hα-helixtrans-56.3-48.8174.5162.10000111.2E271 F526 Y527 M532 L533 P534E271-S530 WeakPolarHBondContact OE2-CB 3.5Å; E271-S530 PolarHBondContact OE2-OG 3.5Å; F526-S530 PolarHBondContact O-N 3.45Å; Y527-S530 PolarHBondContact O-N 3Å; S530-M532 PolarHBondContact O-N 3.05Å; S530-L533 WeakPolarHBondContact O-CB 3.34Å; S530-L533 PolarHBondContact O-N 3.39Å; S530-P534 WeakPolarHBondContact O-CD 3.5Å
531N93.6Very high86.5Confident96 Ų9660 Ų6051%0.51331%0.307SS..Hα-helixtrans-61.6-19.1-178.6-76-41.2000113.6Y527 Q528 L529 Q535Y527-N531 WeakPolarHBondContact O-CB 3.44Å; Y527-N531 VanDerWaalsContact O-CG 3.27Å; Y527-N531 PolarHBondContact O-N 2.82Å; Y527-N531 PolarHBondContact O-ND2 3.22Å; Q528-N531 PolarHBondContact O-N 3.43Å; L529-N531 VanDerWaalsContact C-N 3.35Å; L529-N531 PolarHBondContact O-N 3.28Å; N531-Q535 WeakPolarHBondContact O-CG 3.43Å; N531-Q535 PolarHBondContact O-NE2 3.42Å
532M93.3Very high84.5Confident22 Ų2265.6 Ų65.611%0.10834%0.342CS..Hα-helixtrans-73.5-28.8173.6-55.3-175.373.100112.6L485 A488 E489 F492 Q528 L529 S530 Q535 I536L485-M532 HydrophobicContact CD2-SD 3.98Å; A488-M532 HydrophobicContact CB-SD 4.47Å; E489-M532 HydrophobicContact CB-CE 3.42Å; E489-M532 VanDerWaalsContact CB-CE 3.42Å; E489-M532 HydrophobicContact CG-CE 3.6Å; F492-M532 HydrophobicContact CD2-CB 4.24Å; F492-M532 HydrophobicContact CE2-CB 4.12Å; Q528-M532 WeakPolarHBondContact O-CG 3.49Å; Q528-M532 PolarHBondContact O-N 3.16Å; L529-M532 HydrophobicContact CD2-SD 4.32Å; L529-M532 WeakPolarHBondContact O-CB 3.44Å; L529-M532 PolarHBondContact O-N 3.38Å; S530-M532 PolarHBondContact O-N 3.05Å; M532-Q535 PolarHBondContact O-N 2.89Å; M532-Q535 VanDerWaalsContact O-N 3.16Å; M532-I536 HydrophobicContact CB-CD1 4.16Å; M532-I536 HydrophobicContact CE-CD1 4.35Å; M532-I536 WeakPolarHBondContact O-CG1 3.4Å; M532-I536 PolarHBondContact O-N 2.76Å
533L92.4Very high82.1Confident0 Ų069.9 Ų69.90%036%0.359CS..Hα-helixtrans-61.3-50.4-176.2-77.2170.2000111.9F273 L287 L289 F492 F515 S530 Q535 I536 F537F273-L533 HydrophobicContact CD2-CB 4.39Å; F273-L533 HydrophobicContact CD2-CD1 3.6Å; F273-L533 HydrophobicContact CE1-CB 4.48Å; F273-L533 HydrophobicContact CE2-CB 4.29Å; F273-L533 HydrophobicContact CE2-CD1 3.37Å; F273-L533 HydrophobicContact CE2-CG 4.46Å; F273-L533 HydrophobicContact CG-CD1 4.48Å; F273-L533 HydrophobicContact CZ-CB 4.33Å; F273-L533 HydrophobicContact CZ-CD1 4.09Å; L287-L533 HydrophobicContact CD1-CD2 3.77Å; L289-L533 HydrophobicContact CB-CD1 4.01Å; L289-L533 HydrophobicContact CD2-CD1 4.42Å; F492-L533 HydrophobicContact CD1-CD2 3.69Å; F492-L533 HydrophobicContact CD2-CD2 4.33Å; F492-L533 HydrophobicContact CE1-CD2 3.43Å; F492-L533 VanDerWaalsContact CE1-CD2 3.43Å; F492-L533 HydrophobicContact CE1-CG 4.08Å; F492-L533 HydrophobicContact CE2-CD2 4.11Å; F492-L533 HydrophobicContact CE2-CG 4.13Å; F492-L533 HydrophobicContact CG-CD2 4.15Å; F492-L533 HydrophobicContact CZ-CD1 4.28Å; F492-L533 HydrophobicContact CZ-CD2 3.65Å; F492-L533 HydrophobicContact CZ-CG 3.77Å; F515-L533 HydrophobicContact CE2-CD2 4.44Å; S530-L533 WeakPolarHBondContact O-CB 3.34Å; S530-L533 PolarHBondContact O-N 3.39Å; L533-Q535 PolarHBondContact O-N 2.9Å; L533-I536 PolarHBondContact O-N 3.4Å; L533-F537 HydrophobicContact CD2-CD2 3.66Å; L533-F537 HydrophobicContact CD2-CE2 3.58Å; L533-F537 WeakPolarHBondContact O-CA 3.26Å; L533-F537 WeakPolarHBondContact O-CB 3.44Å; L533-F537 PolarHBondContact O-N 2.67Å
534P89.1Confident79.6Confident64 Ų6471 Ų7142%0.41637%0.372SS..Hα-helixtrans-64.1-23.8174.5-22.633.6000115F273 S530 F537 V539F273-P534 HydrophobicContact CD1-CG 4.3Å; F273-P534 HydrophobicContact CE1-CG 3.91Å; S530-P534 WeakPolarHBondContact O-CD 3.5Å; P534-F537 CarbonylContact C-O 3.6Å; P534-V539 HydrophobicContact CB-CG2 4.12Å; P534-V539 HydrophobicContact CG-CG2 4.31Å
535Q88.7Confident77Confident161 Ų16172.2 Ų72.275%0.75238%0.382SS*.Hα-helixtrans-78.6-38.2178.1-63.3176.613.100111.5N531 M532 L533N531-Q535 WeakPolarHBondContact O-CG 3.43Å; N531-Q535 PolarHBondContact O-NE2 3.42Å; M532-Q535 PolarHBondContact O-N 2.89Å; M532-Q535 VanDerWaalsContact O-N 3.16Å; L533-Q535 PolarHBondContact O-N 2.9Å
536I90.3Very high74.4Confident17 Ų1777.2 Ų77.29%0.08741%0.413CS..Hα-helixtrans-86.7-42.7-177.5-64.4169.4000110.7E489 F492 K493 K496 M532 L533E489-I536 HydrophobicContact CG-CD1 3.99Å; F492-I536 HydrophobicContact CB-CD1 3.67Å; F492-I536 HydrophobicContact CB-CG2 4.14Å; F492-I536 HydrophobicContact CD2-CD1 3.83Å; F492-I536 HydrophobicContact CG-CD1 4.22Å; K493-I536 HydrophobicContact CG-CD1 4.48Å; K493-I536 HydrophobicContact CG-CG2 3.97Å; K496-I536 HydrophobicContact CD-CG2 4.15Å; K496-I536 WeakPolarHBondContact CD-O 3.4Å; K496-I536 WeakPolarHBondContact CE-O 3.42Å; K496-I536 PolarHBondContact NZ-O 2.79Å; M532-I536 HydrophobicContact CB-CD1 4.16Å; M532-I536 HydrophobicContact CE-CD1 4.35Å; M532-I536 WeakPolarHBondContact O-CG1 3.4Å; M532-I536 PolarHBondContact O-N 2.76Å; L533-I536 PolarHBondContact O-N 3.4Å
537F86.9Confident71.6Confident2 Ų282.3 Ų82.31%0.00945%0.449CS..SBendtrans-101138.9179.5-62-91.8000110.4I275 L277 L287 F492 K496 L533 P534 V539I275-F537 HydrophobicContact CB-CB 4.37Å; I275-F537 HydrophobicContact CD1-CD1 3.53Å; I275-F537 HydrophobicContact CD1-CE1 3.98Å; I275-F537 HydrophobicContact CD1-CG 4.34Å; I275-F537 HydrophobicContact CG2-CB 3.67Å; I275-F537 HydrophobicContact CG2-CG 4.29Å; L277-F537 HydrophobicContact CD2-CD1 4.32Å; L287-F537 HydrophobicContact CD1-CB 4.32Å; L287-F537 HydrophobicContact CD1-CD1 3.71Å; L287-F537 HydrophobicContact CD1-CD2 3.52Å; L287-F537 HydrophobicContact CD1-CE1 3.74Å; L287-F537 HydrophobicContact CD1-CE2 3.58Å; L287-F537 HydrophobicContact CD1-CG 3.58Å; L287-F537 HydrophobicContact CD1-CZ 3.69Å; F492-F537 HydrophobicContact CB-CE2 3.88Å; F492-F537 HydrophobicContact CB-CZ 4.43Å; F492-F537 HydrophobicContact CD1-CE2 4.14Å; F492-F537 HydrophobicContact CG-CE2 4.18Å; F492-F537 WeakPolarHBondContact O-CZ 3.25Å; K496-F537 HydrophobicContact CB-CD1 4.13Å; K496-F537 HydrophobicContact CB-CE1 3.44Å; K496-F537 VanDerWaalsContact CB-CE1 3.44Å; K496-F537 HydrophobicContact CB-CZ 3.82Å; K496-F537 HydrophobicContact CD-CD1 4.17Å; K496-F537 HydrophobicContact CD-CE1 4.32Å; K496-F537 HydrophobicContact CG-CD1 3.98Å; K496-F537 HydrophobicContact CG-CE1 3.79Å; L533-F537 HydrophobicContact CD2-CD2 3.66Å; L533-F537 HydrophobicContact CD2-CE2 3.58Å; L533-F537 WeakPolarHBondContact O-CA 3.26Å; L533-F537 WeakPolarHBondContact O-CB 3.44Å; L533-F537 PolarHBondContact O-N 2.67Å; P534-F537 CarbonylContact C-O 3.6Å; F537-V539 PolarHBondContact O-N 2.89Å
538R75.1Confident69.1Low198 Ų19886.6 Ų86.675%0.74747%0.469SS*.  trans-74.897.2170-73.1-176.1176.5169.6-2.4108.1H276H276-R538 PolarHBondContact N-O 3.36Å
539V70.9Confident66.5Low52 Ų5295.8 Ų95.832%0.31551%0.512SS..BIsolated β-bridgetrans-79.6143.3176.5-178.90000109.3F273 I275 P534 F537 S541F273-V539 HydrophobicContact CB-CG2 4.37Å; F273-V539 HydrophobicContact CD1-CG1 4.36Å; F273-V539 HydrophobicContact CD1-CG2 4.17Å; I275-V539 HydrophobicContact CG2-CG2 4.05Å; P534-V539 HydrophobicContact CB-CG2 4.12Å; P534-V539 HydrophobicContact CG-CG2 4.31Å; F537-V539 PolarHBondContact O-N 2.89Å; V539-S541 PolarHBondContact O-N 3.4Å
540S59.8Low65Low53 Ų53100.6 Ų100.637%0.37154%0.537SS..PPolyproline II helixtrans-67.8122.5170.9-67.60000110.8T274 H276 T542T274-S540 PolarHBondContact O-N 3.13Å; H276-S540 PolarHBondContact CE1-OG 3.38Å; H276-S540 PolarHBondContact ND1-OG 2.93Å; S540-T542 PolarHBondContact O-N 3.36Å
541S49.9Very low63.5Low111 Ų111105.6 Ų105.678%0.77656%0.564SS**PPolyproline II helixtrans-69124164.8500000109.2V539 L543V539-S541 PolarHBondContact O-N 3.4Å; S541-L543 PolarHBondContact O-N 3.23Å
542T47Very low61.8Low126 Ų126106.2 Ų106.277%0.77357%0.567SS**PPolyproline II helixtrans-58.2122.3166.746.40000108.8S540 T544S540-T542 PolarHBondContact O-N 3.36Å; T542-T544 PolarHBondContact O-N 3Å
543L39.1Very low60Low155 Ų155111.1 Ų111.181%0.81259%0.594SS**  trans-62.7103.3169.8-102.6147.9000108.1S541 L545S541-L543 PolarHBondContact O-N 3.23Å; L543-L545 VanDerWaalsContact C-N 3.29Å; L543-L545 PolarHBondContact O-N 2.86Å
544T38.9Very low57.9Low120 Ų120118.1 Ų118.174%0.73663%0.631SS**  trans-6892.2165.37.60000107.5T542 T546T542-T544 PolarHBondContact O-N 3Å; T544-T546 PolarHBondContact O-N 2.93Å
545L37.2Very low55.9Low160 Ų160121.7 Ų121.784%0.83865%0.646SS**  trans-69.480.3166.3-73.4167.7000107.8L543 S547L543-L545 VanDerWaalsContact C-N 3.29Å; L543-L545 PolarHBondContact O-N 2.86Å; L545-S547 PolarHBondContact O-N 3Å
546T36.7Very low53.5Low112 Ų112118.9 Ų118.969%0.68764%0.638SS**  trans-66.9103.8163.251.90000106.9T544 K548T544-T546 PolarHBondContact O-N 2.93Å; T546-K548 PolarHBondContact O-N 3.03Å
547S36.7Very low50.7Low107 Ų107126.7 Ų126.775%0.74868%0.68SS**  trans-48.6109.4163.6170.20000108.1L545 H549L545-S547 PolarHBondContact O-N 3Å; S547-H549 PolarHBondContact O-N 3.31Å
548K40Very low47.7Very low197 Ų197137.1 Ų137.186%0.85774%0.736SS**  trans-67.3122.1167.3-78.1-174.9176.1-1790107T546T546-K548 PolarHBondContact O-N 3.03Å
549H40.5Very low45.2Very low254 Ų254131.5 Ų131.5100%1.17674%0.735SS**  trans-52.30171.4-89-71.4000112.7S547S547-H549 PolarHBondContact O-N 3.31Å

Retrieved 549 of 549 residues in 237.3 ms (Link to these results)

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