A0A077ZM97_TRITR Loading...

tRNA anti 2 and Exonuc VII L domain containing pr otein

AlphaFold DB , UniProt , Accession A0A077ZM97, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 456 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
1M41.9Very low59.1Low248 Ų248132.4 Ų132.4100%1.22276%0.757SS**  089.70-74.4178.8172.700107.6
2L43.2Very low61.5Low174 Ų174130.6 Ų130.691%0.91175%0.75SS**  trans-88.2128.3173-85.4151.7000107.7S4L2-S4 PolarHBondContact O-N 2.86Å
3P46.2Very low63.5Low104 Ų104126.7 Ų126.768%0.67574%0.735SS**  trans-68.7133.3-176.629.8-32.9000109.5Q5P3-Q5 PolarHBondContact O-N 3.47Å
4S42.3Very low65.2Low118 Ų118128.3 Ų128.383%0.82572%0.723SS**  trans-57.497.7172.252.50000110.3L2 S6L2-S4 PolarHBondContact O-N 2.86Å; S4-S6 PolarHBondContact O-N 2.84Å
5Q49.9Very low66.7Low177 Ų177125.4 Ų125.483%0.82770%0.704SS**  trans-76.9100.6171.2-71.8-177.1-3.300108.3P3P3-Q5 PolarHBondContact O-N 3.47Å
6S51.6Low68.2Low105 Ų105119 Ų11973%0.73467%0.668SS**  trans-54129.5162.4-61.80000108.4S4 A8S4-S6 PolarHBondContact O-N 2.84Å; S6-A8 PolarHBondContact O-N 3.24Å
7P59.2Low69.4Low116 Ų116117.4 Ų117.475%0.75365%0.654SS**  trans-63.4111.1-177.524.4-31.8000109I9P7-I9 PolarHBondContact O-N 2.82Å; P7-I9 VanDerWaalsContact O-N 3.1Å
8A68.9Low70.4Confident74 Ų74113.8 Ų113.861%0.61264%0.636SS**  trans-67.8107.6172.500000108.2S6 F10S6-A8 PolarHBondContact O-N 3.24Å; A8-F10 HydrophobicContact CB-CD2 4.44Å; A8-F10 HydrophobicContact CB-CE2 3.97Å; A8-F10 VanDerWaalsContact O-CD2 3.29Å; A8-F10 WeakPolarHBondContact O-CD2 3.33Å; A8-F10 PolarHBondContact O-N 3.36Å
9I79.8Confident71.4Confident156 Ų156110.6 Ų110.680%0.862%0.619SS**  trans-76110.8177.7-59.6170.6000107.9P7P7-I9 PolarHBondContact O-N 2.82Å; P7-I9 VanDerWaalsContact O-N 3.1Å
10F80.9Confident72.2Confident94 Ų94108.7 Ų108.741%0.41260%0.602SS.*  trans-87.1141.3174.2-77.6-98.5000110.8A8 R14 L15A8-F10 HydrophobicContact CB-CD2 4.44Å; A8-F10 HydrophobicContact CB-CE2 3.97Å; A8-F10 VanDerWaalsContact O-CD2 3.29Å; A8-F10 WeakPolarHBondContact O-CD2 3.33Å; A8-F10 PolarHBondContact O-N 3.36Å; F10-R14 HydrophobicContact CD1-CB 4.18Å; F10-R14 HydrophobicContact CD1-CG 3.78Å; F10-R14 HydrophobicContact CE1-CG 4.14Å; F10-L15 HydrophobicContact CB-CB 4.34Å
11T86.4Confident72.9Confident90 Ų90108.3 Ų108.355%0.55260%0.598SS**  trans-79.4153.8159.262.70000109S13 R14 L15T11-S13 PolarHBondContact O-N 3.02Å; T11-R14 PolarHBondContact O-N 3.41Å; T11-R14 VanDerWaalsContact OG1-CB 3.27Å; T11-R14 WeakPolarHBondContact OG1-CB 3.34Å; T11-R14 PolarHBondContact OG1-N 3.05Å; T11-L15 PolarHBondContact O-N 3.12Å
12V87.6Confident75.1Confident111 Ų111101.3 Ų101.367%0.67357%0.565SS**Hα-helixtrans-53.7-42.4178-179.10000111.1L15 N16V12-L15 PolarHBondContact O-N 2.75Å; V12-N16 PolarHBondContact O-N 2.81Å
13S87.3Confident77.2Confident80 Ų8095.2 Ų95.256%0.55953%0.533SS*.Hα-helixtrans-63.2-43.4176.7-45.90000112.6T11 L15 N16 Q17T11-S13 PolarHBondContact O-N 3.02Å; S13-L15 VanDerWaalsContact C-N 3.35Å; S13-N16 PolarHBondContact O-N 3.01Å; S13-Q17 WeakPolarHBondContact O-CB 3.26Å; S13-Q17 WeakPolarHBondContact O-CG 3.2Å; S13-Q17 PolarHBondContact O-N 2.72Å
14R87.5Confident79.1Confident149 Ų14994 Ų9456%0.56252%0.518SS*.Hα-helixtrans-66.7-38.5178.7-171.4-179.8-178.5170.81.4111.3F10 T11 T18F10-R14 HydrophobicContact CD1-CB 4.18Å; F10-R14 HydrophobicContact CD1-CG 3.78Å; F10-R14 HydrophobicContact CE1-CG 4.14Å; T11-R14 PolarHBondContact O-N 3.41Å; T11-R14 VanDerWaalsContact OG1-CB 3.27Å; T11-R14 WeakPolarHBondContact OG1-CB 3.34Å; T11-R14 PolarHBondContact OG1-N 3.05Å; R14-T18 WeakPolarHBondContact O-CB 3.45Å; R14-T18 PolarHBondContact O-N 2.94Å; R14-T18 PolarHBondContact O-OG1 3.24Å
15L87.9Confident81Confident85 Ų8596 Ų9645%0.44552%0.515SS..Hα-helixtrans-60.2-54.5174.9-178.467000110.3F10 T11 V12 S13 Q17 T18 V19F10-L15 HydrophobicContact CB-CB 4.34Å; T11-L15 PolarHBondContact O-N 3.12Å; V12-L15 PolarHBondContact O-N 2.75Å; S13-L15 VanDerWaalsContact C-N 3.35Å; L15-Q17 VanDerWaalsContact C-N 3.35Å; L15-Q17 PolarHBondContact O-N 3.14Å; L15-T18 PolarHBondContact O-N 2.9Å; L15-T18 VanDerWaalsContact O-N 3.12Å; L15-V19 HydrophobicContact CD1-CG2 4.4Å; L15-V19 WeakPolarHBondContact O-CG2 3.32Å; L15-V19 PolarHBondContact O-N 2.83Å
16N90.7Very high82.6Confident23 Ų2394.5 Ų94.512%0.12351%0.507CS..Hα-helixtrans-61-41.5-178.6-72.7-3.8000112.4V12 S13 T18 V19 R20 L88 E90V12-N16 PolarHBondContact O-N 2.81Å; S13-N16 PolarHBondContact O-N 3.01Å; N16-T18 PolarHBondContact O-N 2.82Å; N16-V19 PolarHBondContact O-N 2.75Å; N16-R20 WeakPolarHBondContact O-CB 3.33Å; N16-R20 PolarHBondContact O-N 3.19Å; N16-L88 HydrophobicContact CB-CD2 3.87Å; N16-E90 PolarHBondContact ND2-O 3.16Å
17Q88.5Confident84.1Confident92 Ų9294.3 Ų94.343%0.4350%0.496SS..Hα-helixtrans-60.7-43.5174.1-82.1174-5.400112.6S13 L15 R20 L21 E90S13-Q17 WeakPolarHBondContact O-CB 3.26Å; S13-Q17 WeakPolarHBondContact O-CG 3.2Å; S13-Q17 PolarHBondContact O-N 2.72Å; L15-Q17 VanDerWaalsContact C-N 3.35Å; L15-Q17 PolarHBondContact O-N 3.14Å; Q17-R20 PolarHBondContact O-N 3.35Å; Q17-L21 WeakPolarHBondContact O-CG 3.32Å; Q17-L21 PolarHBondContact O-N 2.8Å; Q17-L21 VanDerWaalsContact O-N 3.11Å; Q17-E90 WeakPolarHBondContact CG-OE1 3.42Å
18T86.8Confident85.1Confident53 Ų5390.3 Ų90.333%0.32548%0.476SS..Hα-helixtrans-66.1-43.5-179.9-53.30000110.8R14 L15 N16 L21 L22R14-T18 WeakPolarHBondContact O-CB 3.45Å; R14-T18 PolarHBondContact O-N 2.94Å; R14-T18 PolarHBondContact O-OG1 3.24Å; L15-T18 PolarHBondContact O-N 2.9Å; L15-T18 VanDerWaalsContact O-N 3.12Å; N16-T18 PolarHBondContact O-N 2.82Å; T18-L21 PolarHBondContact O-N 2.97Å; T18-L22 HydrophobicContact CG2-CD1 4.13Å; T18-L22 PolarHBondContact O-N 2.99Å
19V89.5Confident86Confident52 Ų5291.2 Ų91.232%0.31547%0.468SS..Hα-helixtrans-64.9-41.4177.3177.80000111.2L15 N16 L21 L22 L23 L88L15-V19 HydrophobicContact CD1-CG2 4.4Å; L15-V19 WeakPolarHBondContact O-CG2 3.32Å; L15-V19 PolarHBondContact O-N 2.83Å; N16-V19 PolarHBondContact O-N 2.75Å; V19-L21 PolarHBondContact O-N 3.38Å; V19-L22 PolarHBondContact O-N 3.06Å; V19-L23 HydrophobicContact CG1-CD1 3.94Å; V19-L23 HydrophobicContact CG1-CG 4.35Å; V19-L23 WeakPolarHBondContact O-CG 3.45Å; V19-L23 PolarHBondContact O-N 2.93Å; V19-L88 HydrophobicContact CB-CD1 4.33Å; V19-L88 HydrophobicContact CG1-CD1 3.74Å
20R87.3Confident86.4Confident73 Ų7385.2 Ų85.228%0.27544%0.438SS..Hα-helixtrans-57.1-50175.5-172-170.774.3-160.5-12.6111.3N16 Q17 L22 L23 E24 L88 E90N16-R20 WeakPolarHBondContact O-CB 3.33Å; N16-R20 PolarHBondContact O-N 3.19Å; Q17-R20 PolarHBondContact O-N 3.35Å; R20-L22 PolarHBondContact O-N 3.43Å; R20-L23 PolarHBondContact O-N 3.35Å; R20-E24 HydrophobicContact CG-CG 4.42Å; R20-E24 WeakPolarHBondContact CG-OE1 3.31Å; R20-E24 IonicContact NE-OE1 2.63Å; R20-E24 IonicContact NE-OE2 3.77Å; R20-E24 WeakPolarHBondContact O-CB 3.45Å; R20-E24 WeakPolarHBondContact O-CG 3.42Å; R20-E24 PolarHBondContact O-N 3.39Å; R20-L88 HydrophobicContact CB-CB 4.14Å; R20-L88 HydrophobicContact CG-CB 4.39Å; R20-E90 IonicContact CZ-OE1 3.23Å; R20-E90 IonicContact NE-OE1 3.6Å; R20-E90 IonicContact NH1-OE1 3.88Å; R20-E90 PolarHBondContact NH1-OE1 3.43Å; R20-E90 IonicContact NH1-OE2 3.47Å; R20-E90 IonicContact NH2-OE1 2.93Å; R20-E90 PolarHBondContact NH2-OE1 3.24Å
21L87.1Confident86.8Confident101 Ų10187.1 Ų87.153%0.52944%0.443SS..Hα-helixtrans-63.3-39.7-178.6-72.7170.1000112.5Q17 T18 V19 H25Q17-L21 WeakPolarHBondContact O-CG 3.32Å; Q17-L21 PolarHBondContact O-N 2.8Å; Q17-L21 VanDerWaalsContact O-N 3.11Å; T18-L21 PolarHBondContact O-N 2.97Å; V19-L21 PolarHBondContact O-N 3.38Å; L21-H25 VanDerWaalsContact O-CB 3.27Å; L21-H25 WeakPolarHBondContact O-CB 3.48Å; L21-H25 PolarHBondContact O-N 3.11Å
22L88.7Confident86.9Confident101 Ų10184.8 Ų84.853%0.52943%0.426SS..Hα-helixtrans-61-48.1174.4-89.6155.1000111.8T18 V19 R20 H25 E26T18-L22 HydrophobicContact CG2-CD1 4.13Å; T18-L22 PolarHBondContact O-N 2.99Å; V19-L22 PolarHBondContact O-N 3.06Å; R20-L22 PolarHBondContact O-N 3.43Å; L22-H25 PolarHBondContact O-N 3.29Å; L22-E26 WeakPolarHBondContact O-CB 3.41Å; L22-E26 WeakPolarHBondContact O-CG 3.44Å; L22-E26 PolarHBondContact O-N 3Å
23L86.6Confident86.9Confident45 Ų4582.8 Ų82.824%0.23642%0.417CS..Hα-helixtrans-63.3-44.2179.8-73.7171.7000112.3V19 R20 H25 M27 I86 L88 Y95V19-L23 HydrophobicContact CG1-CD1 3.94Å; V19-L23 HydrophobicContact CG1-CG 4.35Å; V19-L23 WeakPolarHBondContact O-CG 3.45Å; V19-L23 PolarHBondContact O-N 2.93Å; R20-L23 PolarHBondContact O-N 3.35Å; L23-H25 VanDerWaalsContact C-N 3.34Å; L23-M27 WeakPolarHBondContact O-CB 3.48Å; L23-M27 PolarHBondContact O-N 3Å; L23-M27 VanDerWaalsContact O-N 3.16Å; L23-I86 HydrophobicContact CB-CG2 4.25Å; L23-I86 HydrophobicContact CD2-CG2 4.49Å; L23-L88 HydrophobicContact CD1-CB 4.24Å; L23-Y95 HydrophobicContact CD1-CD2 3.97Å; L23-Y95 HydrophobicContact CD1-CE2 4.15Å; L23-Y95 HydrophobicContact CD2-CE2 4.39Å
24E85.9Confident86.9Confident79 Ų7979.1 Ų79.137%0.36939%0.392SS..Hα-helixtrans-66.5-35.4179.6-74.8173.5179.700112R20 G28 I86 T87R20-E24 HydrophobicContact CG-CG 4.42Å; R20-E24 WeakPolarHBondContact CG-OE1 3.31Å; R20-E24 IonicContact NE-OE1 2.63Å; R20-E24 IonicContact NE-OE2 3.77Å; R20-E24 WeakPolarHBondContact O-CB 3.45Å; R20-E24 WeakPolarHBondContact O-CG 3.42Å; R20-E24 PolarHBondContact O-N 3.39Å; E24-G28 PolarHBondContact O-N 3.42Å; E24-I86 WeakPolarHBondContact CG-O 3.41Å; E24-T87 WeakPolarHBondContact OE1-CB 3.41Å; E24-T87 PolarHBondContact OE1-OG1 3.32Å
25H83.6Confident87Confident161 Ų16175.1 Ų75.175%0.74538%0.38SS*.Hα-helixtrans-76.9-43.3-179.5-164.869.6000113.2L21 L22 L23L21-H25 VanDerWaalsContact O-CB 3.27Å; L21-H25 WeakPolarHBondContact O-CB 3.48Å; L21-H25 PolarHBondContact O-N 3.11Å; L22-H25 PolarHBondContact O-N 3.29Å; L23-H25 VanDerWaalsContact C-N 3.34Å
26E83.6Confident87.1Confident144 Ų14471 Ų7167%0.67336%0.359SS*.Hα-helixtrans-77.9-40.4-175-70.6-67.8151.900112.9L22L22-E26 WeakPolarHBondContact O-CB 3.41Å; L22-E26 WeakPolarHBondContact O-CG 3.44Å; L22-E26 PolarHBondContact O-N 3Å
27M81.6Confident87.1Confident101 Ų10170.6 Ų70.650%0.49836%0.357SS..Hα-helixtrans-94-29.3-173.1-62.7-69.4-77.800113.3L23 Q29 I86L23-M27 WeakPolarHBondContact O-CB 3.48Å; L23-M27 PolarHBondContact O-N 3Å; L23-M27 VanDerWaalsContact O-N 3.16Å; M27-Q29 PolarHBondContact O-N 2.7Å; M27-I86 HydrophobicContact CB-CB 4.37Å; M27-I86 HydrophobicContact CB-CD1 3.68Å; M27-I86 HydrophobicContact CE-CD1 3.55Å; M27-I86 HydrophobicContact CG-CD1 3.96Å
28G81Confident87.1Confident32 Ų3270.9 Ų70.933%0.3336%0.362SS..  trans53.7-137-17700000113.5E24E24-G28 PolarHBondContact O-N 3.42Å
29Q87.6Confident87.3Confident94 Ų9470.7 Ų70.744%0.43936%0.357SS..EExtended strand (participates in β ladder)trans-91127.4177.3179.4165.694.700110.7M27 R83 N85 E100M27-Q29 PolarHBondContact O-N 2.7Å; Q29-R83 HydrophobicContact CG-CG 3.87Å; Q29-N85 WeakPolarHBondContact CB-OD1 3.32Å; Q29-E100 VanDerWaalsContact NE2-CD 3.34Å; Q29-E100 PolarHBondContact NE2-OE1 3.5Å; Q29-E100 PolarHBondContact NE2-OE2 3.41Å
30V89.3Confident87.3Confident29 Ų2971.9 Ų71.918%0.17636%0.364CS..EExtended strand (participates in β ladder)trans-124.5157.4-176.7-63.20000112.3I32 A84 I86V30-I32 HydrophobicContact CG2-CD1 3.84Å; V30-I32 HydrophobicContact CG2-CG1 4.01Å; V30-A84 WeakPolarHBondContact CG2-O 3.39Å; V30-A84 PolarHBondContact N-O 2.82Å; V30-A84 PolarHBondContact O-N 3.06Å; V30-I86 HydrophobicContact CG1-CD1 4.04Å; V30-I86 HydrophobicContact CG2-CD1 3.71Å; V30-I86 HydrophobicContact CG2-CG1 3.93Å
31W88.9Confident87.4Confident135 Ų13573.5 Ų73.551%0.51138%0.375SS..EExtended strand (participates in β ladder)trans-108.6130.2170.1-72.689.6000109.9L81 V82 R83W31-L81 HydrophobicContact CE3-CD1 4.33Å; W31-L81 HydrophobicContact CE3-CD2 4.05Å; W31-L81 HydrophobicContact CE3-CG 3.85Å; W31-L81 HydrophobicContact CZ3-CD2 4.18Å; W31-L81 HydrophobicContact CZ3-CG 4.2Å; W31-V82 CarbonylContact C-O 3.5Å; W31-V82 VanDerWaalsContact CA-O 3.31Å; W31-V82 WeakPolarHBondContact CA-O 3.3Å; W31-R83 HydrophobicContact CD2-CB 3.95Å; W31-R83 HydrophobicContact CD2-CG 4Å; W31-R83 HydrophobicContact CE3-CB 3.87Å; W31-R83 HydrophobicContact CE3-CG 4.43Å; W31-R83 HydrophobicContact CH2-CB 3.89Å; W31-R83 HydrophobicContact CH2-CG 4.32Å; W31-R83 HydrophobicContact CZ2-CB 3.92Å; W31-R83 VanDerWaalsContact CZ2-CD 3.5Å; W31-R83 HydrophobicContact CZ2-CG 3.83Å; W31-R83 HydrophobicContact CZ3-CB 3.86Å
32I88.1Confident87.3Confident40 Ų4071.1 Ų71.121%0.20537%0.365CS..EExtended strand (participates in β ladder)trans-130.9126.3-173.9-58.4172.1000109.1V30 L51 L81 V82 I97V30-I32 HydrophobicContact CG2-CD1 3.84Å; V30-I32 HydrophobicContact CG2-CG1 4.01Å; I32-L51 HydrophobicContact CG2-CD1 4.09Å; I32-L81 WeakPolarHBondContact O-CA 3.38Å; I32-V82 HydrophobicContact CB-CG2 3.94Å; I32-V82 PolarHBondContact N-O 2.88Å; I32-V82 PolarHBondContact O-N 3.32Å; I32-I97 HydrophobicContact CD1-CD1 3.36Å; I32-I97 HydrophobicContact CD1-CG2 4.35Å
33S87.6Confident87.1Confident69 Ų6971.9 Ų71.948%0.48339%0.386SS..EExtended strand (participates in β ladder)trans-97.9133.2168.9-174.90000109.1V80S33-V80 WeakPolarHBondContact CA-O 3.36Å
34G87.8Confident87.1Confident4 Ų472.6 Ų72.64%0.04140%0.395CS..EExtended strand (participates in β ladder)trans-170164.1178.300000112.5K52 V80G34-K52 WeakPolarHBondContact CA-O 3.29Å; G34-V80 PolarHBondContact N-O 3.21Å; G34-V80 PolarHBondContact O-N 2.91Å
35E88.8Confident87.1Confident64 Ų6469.4 Ų69.430%0.29938%0.383SS..EExtended strand (participates in β ladder)trans-84.7133.4174-167.2-167.5136.700109.8S37 L51 K52 G77E35-S37 PolarHBondContact O-N 3.49Å; E35-L51 WeakPolarHBondContact O-CA 3.48Å; E35-K52 HydrophobicContact CB-CG 3.97Å; E35-K52 PolarHBondContact N-O 3.41Å; E35-K52 WeakPolarHBondContact O-CG 3.45Å; E35-K52 PolarHBondContact O-N 3.44Å; E35-K52 WeakPolarHBondContact OE1-CE 3.48Å; E35-K52 IonicContact OE1-NZ 2.94Å; E35-K52 PolarHBondContact OE1-NZ 3.33Å; E35-K52 WeakPolarHBondContact OE2-CE 3.2Å; E35-K52 IonicContact OE2-NZ 3.3Å; E35-K52 PolarHBondContact OE2-NZ 3.02Å; E35-G77 WeakPolarHBondContact CG-O 3.45Å; E35-G77 VanDerWaalsContact OE1-CA 3.31Å; E35-G77 WeakPolarHBondContact OE1-CA 3.36Å
36I91Very high87.4Confident0 Ų064.1 Ų64.10%036%0.359CS..EExtended strand (participates in β ladder)trans-73.7121.2175.8-63.9-176.9000109.7F39 F49 L51 P74 G77 Q78 V80 M102I36-F39 HydrophobicContact CG2-CB 3.96Å; I36-F39 HydrophobicContact CG2-CD2 4.35Å; I36-F49 HydrophobicContact CG1-CD2 4.35Å; I36-F49 HydrophobicContact CG2-CB 4.04Å; I36-F49 HydrophobicContact CG2-CD2 4.38Å; I36-F49 HydrophobicContact CG2-CG 4.42Å; I36-L51 HydrophobicContact CG1-CD2 4.19Å; I36-P74 HydrophobicContact CD1-CB 3.46Å; I36-P74 VanDerWaalsContact CD1-CB 3.46Å; I36-G77 PolarHBondContact O-N 3Å; I36-Q78 PolarHBondContact N-O 2.99Å; I36-V80 HydrophobicContact CD1-CB 4.29Å; I36-V80 HydrophobicContact CD1-CG1 3.55Å; I36-V80 HydrophobicContact CD1-CG2 3.77Å; I36-V80 HydrophobicContact CG1-CB 4.43Å; I36-V80 HydrophobicContact CG1-CG1 4.01Å; I36-V80 HydrophobicContact CG1-CG2 3.55Å; I36-M102 HydrophobicContact CD1-CE 3.95Å; I36-M102 HydrophobicContact CD1-SD 4.02Å
37S89Confident87.9Confident13 Ų1358.3 Ų58.39%0.09133%0.331CS..EExtended strand (participates in β ladder)trans-119.2159.4169.1-173.20000111.2E35 F39 T50 H76E35-S37 PolarHBondContact O-N 3.49Å; S37-F39 VanDerWaalsContact C-N 3.28Å; S37-F39 PolarHBondContact O-N 3.34Å; S37-F39 VanDerWaalsContact O-N 3.12Å; S37-T50 PolarHBondContact N-O 3.48Å; S37-T50 PolarHBondContact O-N 2.95Å; S37-H76 PolarHBondContact OG-CE1 3.34Å
38N88.5Confident88.4Confident99 Ų9958 Ų5853%0.52933%0.325SS..EExtended strand (participates in β ladder)trans50.437.7173.6-59.4-34.1000115.9T40 H76N38-T40 PolarHBondContact O-N 3.03Å; N38-T40 PolarHBondContact O-OG1 2.9Å; N38-H76 PolarHBondContact N-CE1 3.34Å; N38-H76 PolarHBondContact N-ND1 3.35Å
39F91.4Very high89Confident49 Ų4956.7 Ų56.722%0.21531%0.31CS..EExtended strand (participates in β ladder)trans-66124.8-178.2-178.1-93.3000112.2I36 S37 Q41 W47 Y48 F49 P74I36-F39 HydrophobicContact CG2-CB 3.96Å; I36-F39 HydrophobicContact CG2-CD2 4.35Å; S37-F39 VanDerWaalsContact C-N 3.28Å; S37-F39 PolarHBondContact O-N 3.34Å; S37-F39 VanDerWaalsContact O-N 3.12Å; F39-Q41 HydrophobicContact CE1-CB 4.41Å; F39-W47 HydrophobicContact CE2-CB 3.81Å; F39-W47 AromaticContact CE2-CD2 3.9Å; F39-W47 HydrophobicContact CE2-CD2 3.9Å; F39-W47 HydrophobicContact CE2-CE3 4.12Å; F39-W47 AromaticContact CE2-CG 3.8Å; F39-W47 HydrophobicContact CE2-CG 3.8Å; F39-W47 HydrophobicContact CZ-CB 4.2Å; F39-W47 AromaticContact CZ-CD1 3.94Å; F39-W47 AromaticContact CZ-CD2 3.84Å; F39-W47 HydrophobicContact CZ-CD2 3.84Å; F39-W47 HydrophobicContact CZ-CE3 4.38Å; F39-W47 AromaticContact CZ-CG 3.77Å; F39-W47 HydrophobicContact CZ-CG 3.77Å; F39-Y48 CarbonylContact C-O 3.55Å; F39-Y48 WeakPolarHBondContact CA-O 3.03Å; F39-F49 HydrophobicContact CB-CB 4.33Å; F39-F49 HydrophobicContact CD2-CB 3.99Å; F39-F49 HydrophobicContact CD2-CD1 4.19Å; F39-F49 HydrophobicContact CD2-CG 4.36Å; F39-F49 HydrophobicContact CE2-CD1 4.42Å; F39-P74 HydrophobicContact CD2-CB 4.41Å; F39-P74 HydrophobicContact CD2-CG 4.16Å; F39-P74 HydrophobicContact CE2-CB 4.19Å; F39-P74 HydrophobicContact CE2-CG 3.47Å; F39-P74 VanDerWaalsContact CE2-CG 3.47Å; F39-P74 HydrophobicContact CZ-CG 3.75Å
40T89.9Confident89.2Confident77 Ų7752.9 Ų52.947%0.47229%0.293SS..EExtended strand (participates in β ladder)trans-136.3136.5-178.9-48.20000110.9N38 P42 Y48N38-T40 PolarHBondContact O-N 3.03Å; N38-T40 PolarHBondContact O-OG1 2.9Å; T40-P42 HydrophobicContact CG2-CG 4.32Å; T40-Y48 PolarHBondContact N-O 3.37Å; T40-Y48 PolarHBondContact O-N 2.71Å
41Q88.8Confident89.4Confident106 Ų10651.7 Ų51.750%0.49529%0.286SS..  trans-124.190.5176.3-178.1177.613.900110.8F39F39-Q41 HydrophobicContact CE1-CB 4.41Å
42P86.9Confident89.4Confident52 Ų5248.3 Ų48.334%0.33828%0.275SS..  trans-69.7168.9175-1933.7000112.9T40 S44 G45 H46 Y48T40-P42 HydrophobicContact CG2-CG 4.32Å; P42-S44 PolarHBondContact O-N 3.18Å; P42-G45 PolarHBondContact O-N 2.99Å; P42-H46 WeakPolarHBondContact CD-O 3.48Å; P42-Y48 HydrophobicContact CG-CD2 3.88Å; P42-Y48 HydrophobicContact CG-CE2 3.92Å
43A84.3Confident89.2Confident116 Ų11650.7 Ų50.796%0.95929%0.288SS*.THydrogen-bonded Turntrans-58.6-19.8179.500000114.7G45A43-G45 PolarHBondContact O-N 3.45Å
44S85.7Confident88.8Confident60 Ų6055.7 Ų55.742%0.4231%0.309SS..THydrogen-bonded Turntrans-64.4-18.9173.359.10000113.5P42 H46P42-S44 PolarHBondContact O-N 3.18Å; S44-H46 VanDerWaalsContact C-N 3.32Å
45G85.2Confident88.6Confident13 Ų1361.9 Ų61.913%0.13435%0.346CS..  trans80.48.9-179.700000114.5P42 A43 R64 N67P42-G45 PolarHBondContact O-N 2.99Å; A43-G45 PolarHBondContact O-N 3.45Å; G45-R64 WeakPolarHBondContact O-CB 3.46Å; G45-N67 PolarHBondContact O-ND2 3.44Å
46H91.3Very high88.6Confident49 Ų4961.3 Ų61.323%0.22735%0.353CS..  trans-83.6148.1168.4-58.2-30.8000110.3P42 S44 Y48 M62 F63 R64P42-H46 WeakPolarHBondContact CD-O 3.48Å; S44-H46 VanDerWaalsContact C-N 3.32Å; H46-Y48 HydrophobicContact CB-CE2 3.83Å; H46-M62 WeakPolarHBondContact CA-O 3.34Å; H46-F63 AromaticContact CE1-CD1 3.8Å; H46-F63 AromaticContact ND1-CD1 3.9Å; H46-F63 AromaticContact NE2-CD1 4Å; H46-R64 PolarHBondContact ND1-N 2.75Å
47W93.1Very high88.6Confident22 Ų2268.1 Ų68.18%0.08339%0.385CS..EExtended strand (participates in β ladder)trans-100.2131172.4-60.9-16.6000109.6F39 F49 V61 M62 N67 V70 P74F39-W47 HydrophobicContact CE2-CB 3.81Å; F39-W47 AromaticContact CE2-CD2 3.9Å; F39-W47 HydrophobicContact CE2-CD2 3.9Å; F39-W47 HydrophobicContact CE2-CE3 4.12Å; F39-W47 AromaticContact CE2-CG 3.8Å; F39-W47 HydrophobicContact CE2-CG 3.8Å; F39-W47 HydrophobicContact CZ-CB 4.2Å; F39-W47 AromaticContact CZ-CD1 3.94Å; F39-W47 AromaticContact CZ-CD2 3.84Å; F39-W47 HydrophobicContact CZ-CD2 3.84Å; F39-W47 HydrophobicContact CZ-CE3 4.38Å; F39-W47 AromaticContact CZ-CG 3.77Å; F39-W47 HydrophobicContact CZ-CG 3.77Å; W47-F49 HydrophobicContact CB-CD1 4.34Å; W47-F49 HydrophobicContact CB-CE1 4.45Å; W47-V61 CarbonylContact O-C 3.5Å; W47-V61 WeakPolarHBondContact O-CA 3.35Å; W47-M62 HydrophobicContact CB-CB 4.17Å; W47-M62 HydrophobicContact CE3-SD 3.76Å; W47-M62 HydrophobicContact CZ3-SD 4.03Å; W47-M62 PolarHBondContact N-O 2.94Å; W47-M62 PolarHBondContact O-N 3.44Å; W47-N67 HydrophobicContact CD2-CB 3.58Å; W47-N67 HydrophobicContact CE3-CB 3.57Å; W47-N67 HydrophobicContact CG-CB 4.3Å; W47-N67 HydrophobicContact CH2-CB 3.79Å; W47-N67 HydrophobicContact CZ2-CB 3.79Å; W47-N67 HydrophobicContact CZ3-CB 3.67Å; W47-N67 PolarHBondContact NE1-ND2 3.44Å; W47-V70 HydrophobicContact CH2-CB 4.22Å; W47-V70 HydrophobicContact CZ3-CB 4.17Å; W47-V70 HydrophobicContact CZ3-CG1 4.37Å; W47-V70 HydrophobicContact CZ3-CG2 4.12Å; W47-P74 HydrophobicContact CE3-CG 3.86Å; W47-P74 HydrophobicContact CH2-CG 4.01Å; W47-P74 HydrophobicContact CZ3-CG 3.58Å
48Y92.8Very high88.7Confident94 Ų9468.8 Ų68.837%0.36939%0.388SS..EExtended strand (participates in β ladder)trans-116.6129.4173-61.4-87.8000108F39 T40 P42 H46 V61F39-Y48 CarbonylContact C-O 3.55Å; F39-Y48 WeakPolarHBondContact CA-O 3.03Å; T40-Y48 PolarHBondContact N-O 3.37Å; T40-Y48 PolarHBondContact O-N 2.71Å; P42-Y48 HydrophobicContact CG-CD2 3.88Å; P42-Y48 HydrophobicContact CG-CE2 3.92Å; H46-Y48 HydrophobicContact CB-CE2 3.83Å; Y48-V61 HydrophobicContact CD1-CB 4.42Å; Y48-V61 HydrophobicContact CD1-CG1 4.14Å; Y48-V61 HydrophobicContact CD1-CG2 3.73Å; Y48-V61 HydrophobicContact CE1-CB 4.37Å; Y48-V61 HydrophobicContact CE1-CG1 3.74Å; Y48-V61 HydrophobicContact CE1-CG2 3.77Å
49F93.7Very high89Confident6 Ų671.2 Ų71.23%0.02639%0.39CS..EExtended strand (participates in β ladder)trans-155169.4177.855-83.1000109.8I36 F39 W47 L51 C60 M62 V99 M102I36-F49 HydrophobicContact CG1-CD2 4.35Å; I36-F49 HydrophobicContact CG2-CB 4.04Å; I36-F49 HydrophobicContact CG2-CD2 4.38Å; I36-F49 HydrophobicContact CG2-CG 4.42Å; F39-F49 HydrophobicContact CB-CB 4.33Å; F39-F49 HydrophobicContact CD2-CB 3.99Å; F39-F49 HydrophobicContact CD2-CD1 4.19Å; F39-F49 HydrophobicContact CD2-CG 4.36Å; F39-F49 HydrophobicContact CE2-CD1 4.42Å; W47-F49 HydrophobicContact CB-CD1 4.34Å; W47-F49 HydrophobicContact CB-CE1 4.45Å; F49-L51 HydrophobicContact CD2-CD2 4.25Å; F49-L51 HydrophobicContact CD2-CG 4.18Å; F49-L51 HydrophobicContact CE2-CD1 4.31Å; F49-L51 HydrophobicContact CE2-CD2 3.98Å; F49-L51 HydrophobicContact CE2-CG 3.88Å; F49-C60 HydrophobicContact CD1-CB 4.44Å; F49-C60 HydrophobicContact CD2-CB 3.78Å; F49-C60 HydrophobicContact CE1-CB 4.21Å; F49-C60 HydrophobicContact CE2-CB 3.51Å; F49-C60 HydrophobicContact CG-CB 4.24Å; F49-C60 HydrophobicContact CZ-CB 3.75Å; F49-C60 PolarHBondContact N-O 3.29Å; F49-C60 VanDerWaalsContact N-O 3.08Å; F49-C60 WeakPolarHBondContact O-CA 3.26Å; F49-C60 WeakPolarHBondContact O-CB 3.49Å; F49-C60 PolarHBondContact O-N 3.37Å; F49-C60 VanDerWaalsContact O-O 3.12Å; F49-M62 HydrophobicContact CE1-CB 4.17Å; F49-V99 HydrophobicContact CZ-CB 4.41Å; F49-V99 HydrophobicContact CZ-CG2 3.87Å; F49-M102 HydrophobicContact CE1-CE 3.73Å; F49-M102 HydrophobicContact CE2-CE 3.69Å; F49-M102 HydrophobicContact CZ-CE 3.18Å
50T92.1Very high89.1Confident14 Ų1469 Ų699%0.08638%0.38CS..EExtended strand (participates in β ladder)trans-113.3128.5174.1-600000107.9S37 Q57 V58S37-T50 PolarHBondContact N-O 3.48Å; S37-T50 PolarHBondContact O-N 2.95Å; T50-Q57 HydrophobicContact CG2-CB 3.73Å; T50-Q57 HydrophobicContact CG2-CG 4.31Å; T50-V58 CarbonylContact C-O 3.53Å; T50-V58 VanDerWaalsContact CA-O 3.23Å; T50-V58 WeakPolarHBondContact CA-O 3.41Å; T50-V58 WeakPolarHBondContact CG2-O 3.38Å
51L91.7Very high89.3Confident4 Ų465.8 Ų65.82%0.02136%0.361CS..EExtended strand (participates in β ladder)trans-88.3127.8165.5-71.4173.7000108.1I32 E35 I36 F49 Q57 V58 C60 V80 V82I32-L51 HydrophobicContact CG2-CD1 4.09Å; E35-L51 WeakPolarHBondContact O-CA 3.48Å; I36-L51 HydrophobicContact CG1-CD2 4.19Å; F49-L51 HydrophobicContact CD2-CD2 4.25Å; F49-L51 HydrophobicContact CD2-CG 4.18Å; F49-L51 HydrophobicContact CE2-CD1 4.31Å; F49-L51 HydrophobicContact CE2-CD2 3.98Å; F49-L51 HydrophobicContact CE2-CG 3.88Å; L51-Q57 CarbonylContact O-C 3.56Å; L51-Q57 VanDerWaalsContact O-CA 3.29Å; L51-Q57 WeakPolarHBondContact O-CA 3.28Å; L51-V58 HydrophobicContact CB-CG1 4Å; L51-V58 PolarHBondContact N-O 3.37Å; L51-V58 PolarHBondContact O-N 2.93Å; L51-C60 VanDerWaalsContact CD1-SG 3.57Å; L51-C60 VanDerWaalsContact CG-SG 3.59Å; L51-V80 HydrophobicContact CD2-CG2 3.63Å; L51-V82 HydrophobicContact CD1-CG1 4.31Å; L51-V82 HydrophobicContact CD1-CG2 3.46Å; L51-V82 VanDerWaalsContact CD1-CG2 3.46Å
52K89.3Confident89.5Confident64 Ų6460.8 Ų60.828%0.27834%0.337SS..EExtended strand (participates in β ladder)trans-120.3145.8175.161.9174.4-177.71650110.8G34 E35 A56 Q57G34-K52 WeakPolarHBondContact CA-O 3.29Å; E35-K52 HydrophobicContact CB-CG 3.97Å; E35-K52 PolarHBondContact N-O 3.41Å; E35-K52 WeakPolarHBondContact O-CG 3.45Å; E35-K52 PolarHBondContact O-N 3.44Å; E35-K52 WeakPolarHBondContact OE1-CE 3.48Å; E35-K52 IonicContact OE1-NZ 2.94Å; E35-K52 PolarHBondContact OE1-NZ 3.33Å; E35-K52 WeakPolarHBondContact OE2-CE 3.2Å; E35-K52 IonicContact OE2-NZ 3.3Å; E35-K52 PolarHBondContact OE2-NZ 3.02Å; K52-A56 WeakPolarHBondContact CA-O 3.49Å; K52-Q57 HydrophobicContact CB-CB 4.05Å
53D85.2Confident89.7Confident90 Ų9062.4 Ų62.448%0.48134%0.339SS..  trans-113.6-168.7161.964.644.8000109.2T55 A56D53-T55 PolarHBondContact O-N 3.16Å; D53-T55 WeakPolarHBondContact OD1-CA 3.34Å; D53-T55 PolarHBondContact OD1-N 3.05Å; D53-T55 PolarHBondContact OD1-OG1 3.39Å; D53-A56 PolarHBondContact N-O 3.44Å; D53-A56 PolarHBondContact OD1-N 2.98Å
54D79.3Confident89.9Confident174 Ų17463 Ų6393%0.9332%0.317SS*.SBendtrans-64-20.2-178.2-62.9-34.5000113.6
55T82.8Confident90Very high133 Ų13366.2 Ų66.282%0.81633%0.329SS*.SBendtrans-127.5-23.2-167.560.60000114.5D53D53-T55 PolarHBondContact O-N 3.16Å; D53-T55 WeakPolarHBondContact OD1-CA 3.34Å; D53-T55 PolarHBondContact OD1-N 3.05Å; D53-T55 PolarHBondContact OD1-OG1 3.39Å
56A88.8Confident90.2Very high53 Ų5366.4 Ų66.444%0.43833%0.328SS..  trans-143.2159.6-168.600000111.7K52 D53K52-A56 WeakPolarHBondContact CA-O 3.49Å; D53-A56 PolarHBondContact N-O 3.44Å; D53-A56 PolarHBondContact OD1-N 2.98Å
57Q91.3Very high89.9Confident143 Ų14364.7 Ų64.767%0.66832%0.321SS*.EExtended strand (participates in β ladder)trans-141.8149174.666.4174.7-3.400110.9T50 L51 K52T50-Q57 HydrophobicContact CG2-CB 3.73Å; T50-Q57 HydrophobicContact CG2-CG 4.31Å; L51-Q57 CarbonylContact O-C 3.56Å; L51-Q57 VanDerWaalsContact O-CA 3.29Å; L51-Q57 WeakPolarHBondContact O-CA 3.28Å; K52-Q57 HydrophobicContact CB-CB 4.05Å
58V91.8Very high89.4Confident27 Ų2771.6 Ų71.616%0.16435%0.347CS..EExtended strand (participates in β ladder)trans-140.3139.5-179.361.40000111.7T50 L51 Y95 I97T50-V58 CarbonylContact C-O 3.53Å; T50-V58 VanDerWaalsContact CA-O 3.23Å; T50-V58 WeakPolarHBondContact CA-O 3.41Å; T50-V58 WeakPolarHBondContact CG2-O 3.38Å; L51-V58 HydrophobicContact CB-CG1 4Å; L51-V58 PolarHBondContact N-O 3.37Å; L51-V58 PolarHBondContact O-N 2.93Å; V58-Y95 HydrophobicContact CG2-CD1 3.66Å; V58-Y95 HydrophobicContact CG2-CE1 3.48Å; V58-Y95 VanDerWaalsContact CG2-CE1 3.48Å; V58-I97 HydrophobicContact CB-CD1 4.2Å; V58-I97 HydrophobicContact CG1-CD1 3.71Å; V58-I97 HydrophobicContact CG2-CB 4.48Å; V58-I97 HydrophobicContact CG2-CD1 3.49Å; V58-I97 VanDerWaalsContact CG2-CD1 3.49Å; V58-I97 HydrophobicContact CG2-CG1 3.61Å
59R92.9Very high89Confident149 Ų14974.6 Ų74.656%0.56236%0.358SS*.EExtended strand (participates in β ladder)trans-77.6132.7176-69.3-177-179.1162.33.4111D94 Q96 I97R59-D94 IonicContact NH1-OD2 3.44Å; R59-D94 PolarHBondContact NH1-OD2 2.87Å; R59-Q96 WeakPolarHBondContact O-CA 3.43Å; R59-I97 PolarHBondContact O-N 3.39Å
60C94.3Very high88.5Confident2 Ų275.2 Ų75.21%0.01436%0.362CS..EExtended strand (participates in β ladder)trans-123.3143.8-177.4-58.20000110.9F49 L51 I97 V99F49-C60 HydrophobicContact CD1-CB 4.44Å; F49-C60 HydrophobicContact CD2-CB 3.78Å; F49-C60 HydrophobicContact CE1-CB 4.21Å; F49-C60 HydrophobicContact CE2-CB 3.51Å; F49-C60 HydrophobicContact CG-CB 4.24Å; F49-C60 HydrophobicContact CZ-CB 3.75Å; F49-C60 PolarHBondContact N-O 3.29Å; F49-C60 VanDerWaalsContact N-O 3.08Å; F49-C60 WeakPolarHBondContact O-CA 3.26Å; F49-C60 WeakPolarHBondContact O-CB 3.49Å; F49-C60 PolarHBondContact O-N 3.37Å; F49-C60 VanDerWaalsContact O-O 3.12Å; L51-C60 VanDerWaalsContact CD1-SG 3.57Å; L51-C60 VanDerWaalsContact CG-SG 3.59Å; C60-I97 CarbonylContact C-O 3.54Å; C60-I97 VanDerWaalsContact CA-O 3.28Å; C60-I97 WeakPolarHBondContact CA-O 3.45Å; C60-V99 HydrophobicContact CB-CG2 4.12Å
61V93.3Very high87.8Confident11 Ų1181.4 Ų81.47%0.06740%0.4CS..EExtended strand (participates in β ladder)trans-127.7130.3175-174.30000108.6W47 Y48 F63 I97 I98 V99W47-V61 CarbonylContact O-C 3.5Å; W47-V61 WeakPolarHBondContact O-CA 3.35Å; Y48-V61 HydrophobicContact CD1-CB 4.42Å; Y48-V61 HydrophobicContact CD1-CG1 4.14Å; Y48-V61 HydrophobicContact CD1-CG2 3.73Å; Y48-V61 HydrophobicContact CE1-CB 4.37Å; Y48-V61 HydrophobicContact CE1-CG1 3.74Å; Y48-V61 HydrophobicContact CE1-CG2 3.77Å; V61-F63 HydrophobicContact CG1-CE1 4.32Å; V61-I97 PolarHBondContact N-O 3.29Å; V61-I98 CarbonylContact O-C 3.58Å; V61-I98 WeakPolarHBondContact O-CA 3.31Å; V61-V99 PolarHBondContact O-N 3Å
62M93.5Very high87.4Confident0 Ų083 Ų830%041%0.407CS..EExtended strand (participates in β ladder)trans-119116.2171.6-165.2173.6-161.100109.6H46 W47 F49 N67 V70 V99 M102H46-M62 WeakPolarHBondContact CA-O 3.34Å; W47-M62 HydrophobicContact CB-CB 4.17Å; W47-M62 HydrophobicContact CE3-SD 3.76Å; W47-M62 HydrophobicContact CZ3-SD 4.03Å; W47-M62 PolarHBondContact N-O 2.94Å; W47-M62 PolarHBondContact O-N 3.44Å; F49-M62 HydrophobicContact CE1-CB 4.17Å; M62-N67 HydrophobicContact CG-CB 4.03Å; M62-N67 HydrophobicContact SD-CB 3.91Å; M62-V70 HydrophobicContact CE-CG2 3.34Å; M62-V70 HydrophobicContact SD-CG2 3.95Å; M62-V99 HydrophobicContact CB-CB 4.19Å; M62-V99 HydrophobicContact CE-CG1 4.03Å; M62-V99 HydrophobicContact CG-CB 4.23Å; M62-V99 HydrophobicContact CG-CG1 4.27Å; M62-V99 WeakPolarHBondContact CG-O 3.48Å; M62-V99 HydrophobicContact SD-CG1 4.05Å; M62-M102 HydrophobicContact CE-CB 4.22Å; M62-M102 HydrophobicContact SD-CB 4.44Å
63F91.5Very high87.1Confident87 Ų8789.1 Ų89.138%0.38243%0.428SS..  trans-69.9158.1-178.9-65.7-66.7000112.1H46 V61 N65 S66 N67 I98H46-F63 AromaticContact CE1-CD1 3.8Å; H46-F63 AromaticContact ND1-CD1 3.9Å; H46-F63 AromaticContact NE2-CD1 4Å; V61-F63 HydrophobicContact CG1-CE1 4.32Å; F63-N65 PolarHBondContact O-N 3.02Å; F63-N65 VanDerWaalsContact O-N 3.12Å; F63-S66 WeakPolarHBondContact O-CB 2.94Å; F63-S66 PolarHBondContact O-N 3.46Å; F63-N67 PolarHBondContact O-N 3.31Å; F63-I98 HydrophobicContact CD2-CG2 3.86Å; F63-I98 HydrophobicContact CE2-CD1 4.07Å; F63-I98 HydrophobicContact CE2-CG1 4.22Å; F63-I98 HydrophobicContact CE2-CG2 3.58Å
64R88.9Confident87Confident129 Ų12985 Ų8549%0.48741%0.406SS..Hα-helixtrans-60.8-26.3-173.6-175.2179.7179.2-166.1-0.1113.4G45 H46 N67 R68G45-R64 WeakPolarHBondContact O-CB 3.46Å; H46-R64 PolarHBondContact ND1-N 2.75Å; R64-N67 VanDerWaalsContact C-OD1 3.28Å; R64-N67 WeakPolarHBondContact CA-OD1 3.46Å; R64-N67 PolarHBondContact O-OD1 2.94Å; R64-R68 WeakPolarHBondContact O-CG 3.49Å
65N87.9Confident87.2Confident127 Ų12783 Ų8368%0.67939%0.391SS*.Hα-helixtrans-78.9-32.5177.1-68.6-8.6000111.5F63F63-N65 PolarHBondContact O-N 3.02Å; F63-N65 VanDerWaalsContact O-N 3.12Å
66S87.7Confident87.2Confident17 Ų1782.3 Ų82.312%0.11938%0.379CS..Hα-helixtrans-75.9-45.5178.7-59.90000111.6F63 R68 R69 E100F63-S66 WeakPolarHBondContact O-CB 2.94Å; F63-S66 PolarHBondContact O-N 3.46Å; S66-R68 VanDerWaalsContact C-N 3.28Å; S66-R68 PolarHBondContact O-N 3.34Å; S66-R69 WeakPolarHBondContact O-CB 3.42Å; S66-R69 PolarHBondContact O-N 2.91Å; S66-R69 VanDerWaalsContact O-N 3.11Å; S66-E100 WeakPolarHBondContact CB-O 3.42Å
67N85.5Confident86.8Confident13 Ų1381.7 Ų81.77%0.0738%0.377CS..Hα-helixtrans-66.7-26.2-174.966.99.8000114G45 W47 M62 F63 R64 R69 V70G45-N67 PolarHBondContact O-ND2 3.44Å; W47-N67 HydrophobicContact CD2-CB 3.58Å; W47-N67 HydrophobicContact CE3-CB 3.57Å; W47-N67 HydrophobicContact CG-CB 4.3Å; W47-N67 HydrophobicContact CH2-CB 3.79Å; W47-N67 HydrophobicContact CZ2-CB 3.79Å; W47-N67 HydrophobicContact CZ3-CB 3.67Å; W47-N67 PolarHBondContact NE1-ND2 3.44Å; M62-N67 HydrophobicContact CG-CB 4.03Å; M62-N67 HydrophobicContact SD-CB 3.91Å; F63-N67 PolarHBondContact O-N 3.31Å; R64-N67 VanDerWaalsContact C-OD1 3.28Å; R64-N67 WeakPolarHBondContact CA-OD1 3.46Å; R64-N67 PolarHBondContact O-OD1 2.94Å; N67-R69 PolarHBondContact O-N 3.01Å; N67-R69 VanDerWaalsContact O-N 3.14Å; N67-V70 WeakPolarHBondContact O-CB 3.34Å; N67-V70 PolarHBondContact O-N 3.47Å
68R84Confident86.5Confident167 Ų16777.1 Ų77.163%0.6336%0.355SS*.THydrogen-bonded Turntrans-59.1-21.5172.3-75.4176.3-172.6-157.44.1114R64 S66R64-R68 WeakPolarHBondContact O-CG 3.49Å; S66-R68 VanDerWaalsContact C-N 3.28Å; S66-R68 PolarHBondContact O-N 3.34Å
69R82.8Confident86.2Confident157 Ų15781.7 Ų81.759%0.59238%0.375SS*.THydrogen-bonded Turntrans-87.9-8.1178.7-60.6-177.9-67.6-171.30113.1S66 N67 E100S66-R69 WeakPolarHBondContact O-CB 3.42Å; S66-R69 PolarHBondContact O-N 2.91Å; S66-R69 VanDerWaalsContact O-N 3.11Å; N67-R69 PolarHBondContact O-N 3.01Å; N67-R69 VanDerWaalsContact O-N 3.14Å; R69-E100 PolarHBondContact NH2-O 3.31Å
70V83.3Confident85.9Confident19 Ų1974.6 Ų74.612%0.11535%0.348CS..  trans-82.9120.6179.2-1730000108.1W47 M62 N67 F72 M102W47-V70 HydrophobicContact CH2-CB 4.22Å; W47-V70 HydrophobicContact CZ3-CB 4.17Å; W47-V70 HydrophobicContact CZ3-CG1 4.37Å; W47-V70 HydrophobicContact CZ3-CG2 4.12Å; M62-V70 HydrophobicContact CE-CG2 3.34Å; M62-V70 HydrophobicContact SD-CG2 3.95Å; N67-V70 WeakPolarHBondContact O-CB 3.34Å; N67-V70 PolarHBondContact O-N 3.47Å; V70-F72 VanDerWaalsContact C-N 3.28Å; V70-F72 HydrophobicContact CG1-CD1 3.52Å; V70-F72 HydrophobicContact CG1-CE1 3.51Å; V70-F72 HydrophobicContact CG1-CG 4.22Å; V70-F72 HydrophobicContact CG1-CZ 4.23Å; V70-F72 WeakPolarHBondContact CG1-O 3.45Å; V70-F72 PolarHBondContact O-N 3.46Å; V70-M102 HydrophobicContact CG1-CB 4.35Å; V70-M102 HydrophobicContact CG2-CB 4.01Å
71T78.8Confident85.6Confident144 Ų14476 Ų7688%0.88336%0.356SS*.SBendtrans-80.8-7.4-175.348.30000113.6
72F81.6Confident85.4Confident37 Ų3775.5 Ų75.516%0.16235%0.352CS..SBendtrans-124.6158.3178.275.7-81.4000111.4V70 P74 Q78 V80 M102 P104V70-F72 VanDerWaalsContact C-N 3.28Å; V70-F72 HydrophobicContact CG1-CD1 3.52Å; V70-F72 HydrophobicContact CG1-CE1 3.51Å; V70-F72 HydrophobicContact CG1-CG 4.22Å; V70-F72 HydrophobicContact CG1-CZ 4.23Å; V70-F72 WeakPolarHBondContact CG1-O 3.45Å; V70-F72 PolarHBondContact O-N 3.46Å; F72-P74 HydrophobicContact CE2-CB 4.17Å; F72-P74 WeakPolarHBondContact O-CD 3.49Å; F72-Q78 VanDerWaalsContact CE2-NE2 3.28Å; F72-V80 HydrophobicContact CE2-CG1 4.1Å; F72-V80 HydrophobicContact CZ-CG1 3.83Å; F72-M102 HydrophobicContact CE1-CG 3.98Å; F72-M102 HydrophobicContact CE1-SD 4.42Å; F72-M102 HydrophobicContact CE2-SD 4.29Å; F72-M102 HydrophobicContact CZ-CG 3.61Å; F72-M102 HydrophobicContact CZ-SD 3.71Å; F72-P104 HydrophobicContact CD1-CG 3.87Å; F72-P104 HydrophobicContact CE1-CG 3.89Å; F72-P104 HydrophobicContact CG-CG 4.25Å; F72-P104 HydrophobicContact CZ-CG 4.27Å
73R83.3Confident85.2Confident192 Ų19279.1 Ų79.173%0.72537%0.366SS*.  trans-91.1111.8174.3-171.5175.7-176.9-179.50.2108.9Q75R73-Q75 PolarHBondContact O-N 2.89Å
74P84.2Confident85.2Confident4 Ų475 Ų753%0.02635%0.348CS..  trans-61.7135.7179.122.5-32.2000111.4I36 F39 W47 F72 M102I36-P74 HydrophobicContact CD1-CB 3.46Å; I36-P74 VanDerWaalsContact CD1-CB 3.46Å; F39-P74 HydrophobicContact CD2-CB 4.41Å; F39-P74 HydrophobicContact CD2-CG 4.16Å; F39-P74 HydrophobicContact CE2-CB 4.19Å; F39-P74 HydrophobicContact CE2-CG 3.47Å; F39-P74 VanDerWaalsContact CE2-CG 3.47Å; F39-P74 HydrophobicContact CZ-CG 3.75Å; W47-P74 HydrophobicContact CE3-CG 3.86Å; W47-P74 HydrophobicContact CH2-CG 4.01Å; W47-P74 HydrophobicContact CZ3-CG 3.58Å; F72-P74 HydrophobicContact CE2-CB 4.17Å; F72-P74 WeakPolarHBondContact O-CD 3.49Å; P74-M102 HydrophobicContact CB-SD 3.87Å; P74-M102 HydrophobicContact CG-SD 4.18Å
75Q82.6Confident85.4Confident132 Ų13271.3 Ų71.362%0.61734%0.338SS*.  trans-114.4152.5178.4-58.9-175.520.500111R73 G77 Q78R73-Q75 PolarHBondContact O-N 2.89Å; Q75-G77 PolarHBondContact O-N 3.41Å; Q75-Q78 HydrophobicContact CB-CB 4.33Å; Q75-Q78 WeakPolarHBondContact O-CB 3.48Å; Q75-Q78 PolarHBondContact O-N 3.5Å; Q75-Q78 VanDerWaalsContact O-N 3.13Å
76H82.8Confident85.5Confident119 Ų11965.5 Ų65.555%0.55131%0.307SS*.THydrogen-bonded Turntrans-61.3134.4169.1-170.986.4000109.2S37 N38 Q78S37-H76 PolarHBondContact OG-CE1 3.34Å; N38-H76 PolarHBondContact N-CE1 3.34Å; N38-H76 PolarHBondContact N-ND1 3.35Å; H76-Q78 VanDerWaalsContact C-N 3.29Å
77G80.9Confident85.7Confident39 Ų3965.1 Ų65.140%0.40230%0.304SS..THydrogen-bonded Turntrans86.5-6.2-174.700000114.8E35 I36 Q75E35-G77 WeakPolarHBondContact CG-O 3.45Å; E35-G77 VanDerWaalsContact OE1-CA 3.31Å; E35-G77 WeakPolarHBondContact OE1-CA 3.36Å; I36-G77 PolarHBondContact O-N 3Å; Q75-G77 PolarHBondContact O-N 3.41Å
78Q84.4Confident85.8Confident47 Ų4765.2 Ų65.222%0.2231%0.305CS..  trans-80.9129.8-177.6-169175.41.600110.9I36 F72 Q75 H76 V80I36-Q78 PolarHBondContact N-O 2.99Å; F72-Q78 VanDerWaalsContact CE2-NE2 3.28Å; Q75-Q78 HydrophobicContact CB-CB 4.33Å; Q75-Q78 WeakPolarHBondContact O-CB 3.48Å; Q75-Q78 PolarHBondContact O-N 3.5Å; Q75-Q78 VanDerWaalsContact O-N 3.13Å; H76-Q78 VanDerWaalsContact C-N 3.29Å; Q78-V80 HydrophobicContact CG-CG1 4.19Å
79Q85.3Confident86Confident123 Ų12362.3 Ų62.358%0.57529%0.294SS*.EExtended strand (participates in β ladder)trans-80126.3172.5-155.1160.615.400110.3A105Q79-A105 HydrophobicContact CB-CB 3.94Å; Q79-A105 HydrophobicContact CG-CB 3.78Å; Q79-A105 WeakPolarHBondContact O-CB 3.36Å; Q79-A105 PolarHBondContact O-N 2.89Å
80V87.9Confident86.1Confident0 Ų057.5 Ų57.50%028%0.278CS..EExtended strand (participates in β ladder)trans-131.9151.1-175.8-62.30000111.1S33 G34 I36 L51 F72 Q78 V82 M102 Q103S33-V80 WeakPolarHBondContact CA-O 3.36Å; G34-V80 PolarHBondContact N-O 3.21Å; G34-V80 PolarHBondContact O-N 2.91Å; I36-V80 HydrophobicContact CD1-CB 4.29Å; I36-V80 HydrophobicContact CD1-CG1 3.55Å; I36-V80 HydrophobicContact CD1-CG2 3.77Å; I36-V80 HydrophobicContact CG1-CB 4.43Å; I36-V80 HydrophobicContact CG1-CG1 4.01Å; I36-V80 HydrophobicContact CG1-CG2 3.55Å; L51-V80 HydrophobicContact CD2-CG2 3.63Å; F72-V80 HydrophobicContact CE2-CG1 4.1Å; F72-V80 HydrophobicContact CZ-CG1 3.83Å; Q78-V80 HydrophobicContact CG-CG1 4.19Å; V80-V82 HydrophobicContact CG2-CG1 3.94Å; V80-M102 HydrophobicContact CB-CG 4.13Å; V80-M102 HydrophobicContact CG1-CG 4.27Å; V80-M102 HydrophobicContact CG1-SD 4.28Å; V80-M102 HydrophobicContact CG2-CE 4.48Å; V80-M102 HydrophobicContact CG2-CG 4.49Å; V80-Q103 CarbonylContact C-O 3.47Å; V80-Q103 WeakPolarHBondContact CA-O 3.3Å; V80-Q103 WeakPolarHBondContact CB-O 3.46Å
81L87.1Confident86.2Confident32 Ų3261.2 Ų61.217%0.16830%0.303CS..EExtended strand (participates in β ladder)trans-105.1121.9167.4-176.767.6000108W31 I32 Q103W31-L81 HydrophobicContact CE3-CD1 4.33Å; W31-L81 HydrophobicContact CE3-CD2 4.05Å; W31-L81 HydrophobicContact CE3-CG 3.85Å; W31-L81 HydrophobicContact CZ3-CD2 4.18Å; W31-L81 HydrophobicContact CZ3-CG 4.2Å; I32-L81 WeakPolarHBondContact O-CA 3.38Å; L81-Q103 PolarHBondContact N-O 3.41Å; L81-Q103 PolarHBondContact O-N 3.44Å
82V89Confident86.4Confident0 Ų063.1 Ų63.10%029%0.294CS..EExtended strand (participates in β ladder)trans-117.9144-179.8-57.50000111.6W31 I32 L51 V80 A84 V99 S101 M102W31-V82 CarbonylContact C-O 3.5Å; W31-V82 VanDerWaalsContact CA-O 3.31Å; W31-V82 WeakPolarHBondContact CA-O 3.3Å; I32-V82 HydrophobicContact CB-CG2 3.94Å; I32-V82 PolarHBondContact N-O 2.88Å; I32-V82 PolarHBondContact O-N 3.32Å; L51-V82 HydrophobicContact CD1-CG1 4.31Å; L51-V82 HydrophobicContact CD1-CG2 3.46Å; L51-V82 VanDerWaalsContact CD1-CG2 3.46Å; V80-V82 HydrophobicContact CG2-CG1 3.94Å; V82-A84 HydrophobicContact CG2-CB 4.42Å; V82-V99 HydrophobicContact CB-CG1 3.84Å; V82-V99 HydrophobicContact CB-CG2 4.22Å; V82-V99 HydrophobicContact CG1-CG1 4.01Å; V82-V99 HydrophobicContact CG1-CG2 4.45Å; V82-V99 HydrophobicContact CG2-CG2 4.16Å; V82-S101 WeakPolarHBondContact CA-O 3.4Å; V82-M102 HydrophobicContact CG1-CB 4.09Å; V82-M102 HydrophobicContact CG1-CE 4.01Å; V82-M102 HydrophobicContact CG1-CG 3.96Å
83R90.2Very high86.6Confident76 Ų7662.7 Ų62.729%0.28730%0.3SS..EExtended strand (participates in β ladder)trans-100.3124.5165.6-164.3-178.475.7174.54.6108.5Q29 W31 E100 S101Q29-R83 HydrophobicContact CG-CG 3.87Å; W31-R83 HydrophobicContact CD2-CB 3.95Å; W31-R83 HydrophobicContact CD2-CG 4Å; W31-R83 HydrophobicContact CE3-CB 3.87Å; W31-R83 HydrophobicContact CE3-CG 4.43Å; W31-R83 HydrophobicContact CH2-CB 3.89Å; W31-R83 HydrophobicContact CH2-CG 4.32Å; W31-R83 HydrophobicContact CZ2-CB 3.92Å; W31-R83 VanDerWaalsContact CZ2-CD 3.5Å; W31-R83 HydrophobicContact CZ2-CG 3.83Å; W31-R83 HydrophobicContact CZ3-CB 3.86Å; R83-E100 IonicContact CZ-OE2 2.82Å; R83-E100 IonicContact NE-OE2 3.43Å; R83-E100 PolarHBondContact NE-OE2 2.91Å; R83-E100 IonicContact NH2-OE2 2.8Å; R83-E100 PolarHBondContact NH2-OE2 3.45Å; R83-E100 PolarHBondContact O-N 3.05Å; R83-S101 WeakPolarHBondContact CB-OG 3.34Å; R83-S101 PolarHBondContact N-O 2.74Å; R83-S101 PolarHBondContact O-N 2.7Å
84A91.7Very high86.9Confident0 Ų056.2 Ų56.20%028%0.28CS..EExtended strand (participates in β ladder)trans-151.1158.4-168.700000113.7V30 V82 I97 I98 V99V30-A84 WeakPolarHBondContact CG2-O 3.39Å; V30-A84 PolarHBondContact N-O 2.82Å; V30-A84 PolarHBondContact O-N 3.06Å; V82-A84 HydrophobicContact CG2-CB 4.42Å; A84-I97 HydrophobicContact CB-CG2 3.21Å; A84-I98 CarbonylContact C-O 3.42Å; A84-I98 WeakPolarHBondContact CA-O 3.33Å; A84-I98 VanDerWaalsContact CB-O 3.29Å; A84-I98 WeakPolarHBondContact CB-O 3.26Å; A84-V99 HydrophobicContact CB-CG2 4.05Å
85N91.8Very high87.1Confident52 Ų5260.6 Ų60.628%0.27830%0.297SS..EExtended strand (participates in β ladder)trans-107.7137.2173.1-57.3-26.4000109.1Q29 I98 E100Q29-N85 WeakPolarHBondContact CB-OD1 3.32Å; N85-I98 PolarHBondContact N-O 3.46Å; N85-I98 PolarHBondContact O-N 3.38Å; N85-E100 PolarHBondContact ND2-OE1 2.86Å
86I90.7Very high87.5Confident5 Ų556.2 Ų56.23%0.02628%0.276CS..EExtended strand (participates in β ladder)trans-86.1131.6-179.8-70.3165.6000109L23 E24 M27 V30 Y95 I97L23-I86 HydrophobicContact CB-CG2 4.25Å; L23-I86 HydrophobicContact CD2-CG2 4.49Å; E24-I86 WeakPolarHBondContact CG-O 3.41Å; M27-I86 HydrophobicContact CB-CB 4.37Å; M27-I86 HydrophobicContact CB-CD1 3.68Å; M27-I86 HydrophobicContact CE-CD1 3.55Å; M27-I86 HydrophobicContact CG-CD1 3.96Å; V30-I86 HydrophobicContact CG1-CD1 4.04Å; V30-I86 HydrophobicContact CG2-CD1 3.71Å; V30-I86 HydrophobicContact CG2-CG1 3.93Å; I86-Y95 WeakPolarHBondContact CG1-OH 3.3Å; I86-Y95 HydrophobicContact CG2-CD2 4.31Å; I86-Y95 HydrophobicContact CG2-CE2 3.22Å; I86-Y95 WeakPolarHBondContact CG2-OH 3.5Å; I86-I97 HydrophobicContact CG1-CG1 4.42Å
87T91Very high87.9Confident9 Ų950.7 Ų50.76%0.05525%0.251CS..EExtended strand (participates in β ladder)trans-149.2177179.2-167.90000111.3E24 Q96 I98E24-T87 WeakPolarHBondContact OE1-CB 3.41Å; E24-T87 PolarHBondContact OE1-OG1 3.32Å; T87-Q96 CarbonylContact C-O 3.45Å; T87-Q96 HydrophobicContact CG2-CG 3.58Å; T87-Q96 PolarHBondContact N-O 2.96Å; T87-Q96 PolarHBondContact O-N 3.3Å; T87-I98 HydrophobicContact CG2-CD1 3.64Å; T87-I98 HydrophobicContact CG2-CG1 3.84Å
88L88.9Confident88.5Confident16 Ų1650.8 Ų50.88%0.08424%0.241CC..EExtended strand (participates in β ladder)trans-128.2130177.5-179.4139.5000110N16 V19 R20 L23 E90N16-L88 HydrophobicContact CB-CD2 3.87Å; V19-L88 HydrophobicContact CB-CD1 4.33Å; V19-L88 HydrophobicContact CG1-CD1 3.74Å; R20-L88 HydrophobicContact CB-CB 4.14Å; R20-L88 HydrophobicContact CG-CB 4.39Å; L23-L88 HydrophobicContact CD1-CB 4.24Å; L88-E90 PolarHBondContact O-N 2.97Å; L88-E90 VanDerWaalsContact O-N 3.08Å
89Y87.8Confident88.9Confident105 Ų10548.5 Ų48.541%0.41223%0.231SC..EExtended strand (participates in β ladder)trans-77.494.1177.7-174.3-119000110.1P91 R92 G93 D94Y89-P91 VanDerWaalsContact C-N 3.33Å; Y89-P91 HydrophobicContact CE1-CB 3.97Å; Y89-P91 HydrophobicContact CE1-CG 4Å; Y89-P91 HydrophobicContact CE2-CG 4Å; Y89-P91 VanDerWaalsContact O-N 3.13Å; Y89-R92 HydrophobicContact CD1-CB 3.94Å; Y89-R92 HydrophobicContact CD1-CG 4.03Å; Y89-R92 HydrophobicContact CE1-CB 4.36Å; Y89-R92 HydrophobicContact CE1-CG 3.95Å; Y89-R92 PolarHBondContact O-N 3.06Å; Y89-R92 VanDerWaalsContact O-N 3.09Å; Y89-G93 PolarHBondContact O-N 3.44Å; Y89-D94 PolarHBondContact N-O 2.95Å
90E85.8Confident89.2Confident56 Ų5644.8 Ų44.826%0.26221%0.214SC..THydrogen-bonded Turntrans-48.2-40.7-171.8-57.6-178.5156.200115.8N16 Q17 R20 L88 R92N16-E90 PolarHBondContact ND2-O 3.16Å; Q17-E90 WeakPolarHBondContact CG-OE1 3.42Å; R20-E90 IonicContact CZ-OE1 3.23Å; R20-E90 IonicContact NE-OE1 3.6Å; R20-E90 IonicContact NH1-OE1 3.88Å; R20-E90 PolarHBondContact NH1-OE1 3.43Å; R20-E90 IonicContact NH1-OE2 3.47Å; R20-E90 IonicContact NH2-OE1 2.93Å; R20-E90 PolarHBondContact NH2-OE1 3.24Å; L88-E90 PolarHBondContact O-N 2.97Å; L88-E90 VanDerWaalsContact O-N 3.08Å; E90-R92 VanDerWaalsContact C-N 3.28Å; E90-R92 PolarHBondContact O-N 2.98Å
91P84.7Confident89.2Confident98 Ų9846.3 Ų46.364%0.63622%0.224SC*.THydrogen-bonded Turntrans-66.5-27.2-177-24.336.6000114.2Y89Y89-P91 VanDerWaalsContact C-N 3.33Å; Y89-P91 HydrophobicContact CE1-CB 3.97Å; Y89-P91 HydrophobicContact CE1-CG 4Å; Y89-P91 HydrophobicContact CE2-CG 4Å; Y89-P91 VanDerWaalsContact O-N 3.13Å
92R83.8Confident89.2Confident183 Ų18345.2 Ų45.269%0.69122%0.218SC*.THydrogen-bonded Turntrans-111.9-16.1-179.9-67-176.5175.4176.1-1.7113.8Y89 E90 D94Y89-R92 HydrophobicContact CD1-CB 3.94Å; Y89-R92 HydrophobicContact CD1-CG 4.03Å; Y89-R92 HydrophobicContact CE1-CB 4.36Å; Y89-R92 HydrophobicContact CE1-CG 3.95Å; Y89-R92 PolarHBondContact O-N 3.06Å; Y89-R92 VanDerWaalsContact O-N 3.09Å; E90-R92 VanDerWaalsContact C-N 3.28Å; E90-R92 PolarHBondContact O-N 2.98Å; R92-D94 HydrophobicContact CB-CB 4.42Å
93G84.8Confident88.9Confident28 Ų2848.6 Ų48.629%0.28923%0.234SC..THydrogen-bonded Turntrans7415.9-171.100000113.4Y89Y89-G93 PolarHBondContact O-N 3.44Å
94D88.7Confident88.3Confident56 Ų5646.7 Ų46.730%0.29923%0.231SC..EExtended strand (participates in β ladder)trans-82.9130.8-177.4-77.6-10.5000110.7R59 Y89 R92R59-D94 IonicContact NH1-OD2 3.44Å; R59-D94 PolarHBondContact NH1-OD2 2.87Å; Y89-D94 PolarHBondContact N-O 2.95Å; R92-D94 HydrophobicContact CB-CB 4.42Å
95Y88.3Confident87.2Confident97 Ų9747.4 Ų47.438%0.3824%0.237SC..EExtended strand (participates in β ladder)trans-67.1132.4168.8-178.7-105.2000110.7L23 V58 I86 I97L23-Y95 HydrophobicContact CD1-CD2 3.97Å; L23-Y95 HydrophobicContact CD1-CE2 4.15Å; L23-Y95 HydrophobicContact CD2-CE2 4.39Å; V58-Y95 HydrophobicContact CG2-CD1 3.66Å; V58-Y95 HydrophobicContact CG2-CE1 3.48Å; V58-Y95 VanDerWaalsContact CG2-CE1 3.48Å; I86-Y95 WeakPolarHBondContact CG1-OH 3.3Å; I86-Y95 HydrophobicContact CG2-CD2 4.31Å; I86-Y95 HydrophobicContact CG2-CE2 3.22Å; I86-Y95 WeakPolarHBondContact CG2-OH 3.5Å; Y95-I97 HydrophobicContact CE1-CD1 4.35Å; Y95-I97 HydrophobicContact CE1-CG1 4.19Å
96Q91.1Very high85.8Confident40 Ų4046.8 Ų46.819%0.18724%0.244CC..EExtended strand (participates in β ladder)trans-147.4157.8178.969.6176.210.100112.3R59 T87R59-Q96 WeakPolarHBondContact O-CA 3.43Å; T87-Q96 CarbonylContact C-O 3.45Å; T87-Q96 HydrophobicContact CG2-CG 3.58Å; T87-Q96 PolarHBondContact N-O 2.96Å; T87-Q96 PolarHBondContact O-N 3.3Å
97I92.4Very high84.5Confident3 Ų351.9 Ų51.92%0.01527%0.267CS..EExtended strand (participates in β ladder)trans-116.7125.5-179.1-65.7-172.2000109.8I32 V58 R59 C60 V61 A84 I86 Y95 V99I32-I97 HydrophobicContact CD1-CD1 3.36Å; I32-I97 HydrophobicContact CD1-CG2 4.35Å; V58-I97 HydrophobicContact CB-CD1 4.2Å; V58-I97 HydrophobicContact CG1-CD1 3.71Å; V58-I97 HydrophobicContact CG2-CB 4.48Å; V58-I97 HydrophobicContact CG2-CD1 3.49Å; V58-I97 VanDerWaalsContact CG2-CD1 3.49Å; V58-I97 HydrophobicContact CG2-CG1 3.61Å; R59-I97 PolarHBondContact O-N 3.39Å; C60-I97 CarbonylContact C-O 3.54Å; C60-I97 VanDerWaalsContact CA-O 3.28Å; C60-I97 WeakPolarHBondContact CA-O 3.45Å; V61-I97 PolarHBondContact N-O 3.29Å; A84-I97 HydrophobicContact CB-CG2 3.21Å; I86-I97 HydrophobicContact CG1-CG1 4.42Å; Y95-I97 HydrophobicContact CE1-CD1 4.35Å; Y95-I97 HydrophobicContact CE1-CG1 4.19Å; I97-V99 HydrophobicContact CG2-CG2 4.26Å
98I93.1Very high83.2Confident40 Ų4051.8 Ų51.821%0.20527%0.268CS..EExtended strand (participates in β ladder)trans-93.8109.9175.8-63.8172.1000108.9V61 F63 A84 N85 T87V61-I98 CarbonylContact O-C 3.58Å; V61-I98 WeakPolarHBondContact O-CA 3.31Å; F63-I98 HydrophobicContact CD2-CG2 3.86Å; F63-I98 HydrophobicContact CE2-CD1 4.07Å; F63-I98 HydrophobicContact CE2-CG1 4.22Å; F63-I98 HydrophobicContact CE2-CG2 3.58Å; A84-I98 CarbonylContact C-O 3.42Å; A84-I98 WeakPolarHBondContact CA-O 3.33Å; A84-I98 VanDerWaalsContact CB-O 3.29Å; A84-I98 WeakPolarHBondContact CB-O 3.26Å; N85-I98 PolarHBondContact N-O 3.46Å; N85-I98 PolarHBondContact O-N 3.38Å; T87-I98 HydrophobicContact CG2-CD1 3.64Å; T87-I98 HydrophobicContact CG2-CG1 3.84Å
99V93.1Very high82.4Confident0 Ų055.2 Ų55.20%029%0.286CS..EExtended strand (participates in β ladder)trans-84.3126.8-178.4177.60000110.9F49 C60 V61 M62 V82 A84 I97 S101 M102F49-V99 HydrophobicContact CZ-CB 4.41Å; F49-V99 HydrophobicContact CZ-CG2 3.87Å; C60-V99 HydrophobicContact CB-CG2 4.12Å; V61-V99 PolarHBondContact O-N 3Å; M62-V99 HydrophobicContact CB-CB 4.19Å; M62-V99 HydrophobicContact CE-CG1 4.03Å; M62-V99 HydrophobicContact CG-CB 4.23Å; M62-V99 HydrophobicContact CG-CG1 4.27Å; M62-V99 WeakPolarHBondContact CG-O 3.48Å; M62-V99 HydrophobicContact SD-CG1 4.05Å; V82-V99 HydrophobicContact CB-CG1 3.84Å; V82-V99 HydrophobicContact CB-CG2 4.22Å; V82-V99 HydrophobicContact CG1-CG1 4.01Å; V82-V99 HydrophobicContact CG1-CG2 4.45Å; V82-V99 HydrophobicContact CG2-CG2 4.16Å; A84-V99 HydrophobicContact CB-CG2 4.05Å; I97-V99 HydrophobicContact CG2-CG2 4.26Å; V99-S101 WeakPolarHBondContact CG1-O 3.21Å; V99-M102 HydrophobicContact CG1-CB 4.48Å
100E91.3Very high81.9Confident45 Ų4551.6 Ų51.621%0.2127%0.273CS..EExtended strand (participates in β ladder)trans-97-39.3177.8-64.9-173177.500112.8Q29 S66 R69 R83 N85Q29-E100 VanDerWaalsContact NE2-CD 3.34Å; Q29-E100 PolarHBondContact NE2-OE1 3.5Å; Q29-E100 PolarHBondContact NE2-OE2 3.41Å; S66-E100 WeakPolarHBondContact CB-O 3.42Å; R69-E100 PolarHBondContact NH2-O 3.31Å; R83-E100 IonicContact CZ-OE2 2.82Å; R83-E100 IonicContact NE-OE2 3.43Å; R83-E100 PolarHBondContact NE-OE2 2.91Å; R83-E100 IonicContact NH2-OE2 2.8Å; R83-E100 PolarHBondContact NH2-OE2 3.45Å; R83-E100 PolarHBondContact O-N 3.05Å; N85-E100 PolarHBondContact ND2-OE1 2.86Å
101S88.6Confident81.5Confident31 Ų3153.8 Ų53.822%0.21728%0.284CS..EExtended strand (participates in β ladder)trans-141.8149.7176.262.20000110.9V82 R83 V99V82-S101 WeakPolarHBondContact CA-O 3.4Å; R83-S101 WeakPolarHBondContact CB-OG 3.34Å; R83-S101 PolarHBondContact N-O 2.74Å; R83-S101 PolarHBondContact O-N 2.7Å; V99-S101 WeakPolarHBondContact CG1-O 3.21Å
102M87.6Confident81.2Confident9 Ų954 Ų544%0.04428%0.276CS..EExtended strand (participates in β ladder)trans-136.9133.1-179.4176.4-174.8-73.300108.6I36 F49 M62 V70 F72 P74 V80 V82 V99I36-M102 HydrophobicContact CD1-CE 3.95Å; I36-M102 HydrophobicContact CD1-SD 4.02Å; F49-M102 HydrophobicContact CE1-CE 3.73Å; F49-M102 HydrophobicContact CE2-CE 3.69Å; F49-M102 HydrophobicContact CZ-CE 3.18Å; M62-M102 HydrophobicContact CE-CB 4.22Å; M62-M102 HydrophobicContact SD-CB 4.44Å; V70-M102 HydrophobicContact CG1-CB 4.35Å; V70-M102 HydrophobicContact CG2-CB 4.01Å; F72-M102 HydrophobicContact CE1-CG 3.98Å; F72-M102 HydrophobicContact CE1-SD 4.42Å; F72-M102 HydrophobicContact CE2-SD 4.29Å; F72-M102 HydrophobicContact CZ-CG 3.61Å; F72-M102 HydrophobicContact CZ-SD 3.71Å; P74-M102 HydrophobicContact CB-SD 3.87Å; P74-M102 HydrophobicContact CG-SD 4.18Å; V80-M102 HydrophobicContact CB-CG 4.13Å; V80-M102 HydrophobicContact CG1-CG 4.27Å; V80-M102 HydrophobicContact CG1-SD 4.28Å; V80-M102 HydrophobicContact CG2-CE 4.48Å; V80-M102 HydrophobicContact CG2-CG 4.49Å; V82-M102 HydrophobicContact CG1-CB 4.09Å; V82-M102 HydrophobicContact CG1-CE 4.01Å; V82-M102 HydrophobicContact CG1-CG 3.96Å; V99-M102 HydrophobicContact CG1-CB 4.48Å
103Q81.3Confident81.3Confident71 Ų7150.2 Ų50.233%0.33227%0.265SS..EExtended strand (participates in β ladder)trans-130.6151.2176.9-69.3174.6-15.400109.4V80 L81 A105V80-Q103 CarbonylContact C-O 3.47Å; V80-Q103 WeakPolarHBondContact CA-O 3.3Å; V80-Q103 WeakPolarHBondContact CB-O 3.46Å; L81-Q103 PolarHBondContact N-O 3.41Å; L81-Q103 PolarHBondContact O-N 3.44Å; Q103-A105 PolarHBondContact O-N 3.39Å
104P77.3Confident81.4Confident36 Ų3650.8 Ų50.823%0.23426%0.259CS..EExtended strand (participates in β ladder)trans-60.4136.9169.1-16.530.7000109.6F72 G106 E107F72-P104 HydrophobicContact CD1-CG 3.87Å; F72-P104 HydrophobicContact CE1-CG 3.89Å; F72-P104 HydrophobicContact CG-CG 4.25Å; F72-P104 HydrophobicContact CZ-CG 4.27Å; P104-G106 PolarHBondContact O-N 3.01Å; P104-G106 VanDerWaalsContact O-N 3.11Å; P104-E107 PolarHBondContact O-N 3.43Å
105A69.1Low81.4Confident15 Ų1553.4 Ų53.412%0.12427%0.269CS..Hα-helixtrans-61.1-25.1-176.300000113.3Q79 Q103 L109Q79-A105 HydrophobicContact CB-CB 3.94Å; Q79-A105 HydrophobicContact CG-CB 3.78Å; Q79-A105 WeakPolarHBondContact O-CB 3.36Å; Q79-A105 PolarHBondContact O-N 2.89Å; Q103-A105 PolarHBondContact O-N 3.39Å; A105-L109 VanDerWaalsContact O-CB 3.23Å; A105-L109 WeakPolarHBondContact O-CB 3.29Å; A105-L109 PolarHBondContact O-N 3.16Å
106G63.5Low81.4Confident40 Ų4054.2 Ų54.241%0.41228%0.276SS..Hα-helixtrans-58.1-54.3178.100000113.1P104 L110P104-G106 PolarHBondContact O-N 3.01Å; P104-G106 VanDerWaalsContact O-N 3.11Å; G106-L110 VanDerWaalsContact O-CG 3.25Å; G106-L110 WeakPolarHBondContact O-CG 3.45Å; G106-L110 PolarHBondContact O-N 3.39Å; G106-L110 VanDerWaalsContact O-N 3.16Å
107E61.4Low81.4Confident112 Ų11253.5 Ų53.552%0.52327%0.273SS..Hα-helixtrans-66.5-42.2-177.8-69.1-177163.100112.1P104 L110 Q111P104-E107 PolarHBondContact O-N 3.43Å; E107-L110 PolarHBondContact O-N 3.23Å; E107-Q111 WeakPolarHBondContact O-CB 3.42Å; E107-Q111 PolarHBondContact O-N 2.93Å
108G65.7Low81.4Confident7 Ų756.4 Ų56.47%0.07229%0.286CS..Hα-helixtrans-66.6-40.3-179.400000113.2Q111 Q112G108-Q111 PolarHBondContact O-N 2.97Å; G108-Q112 WeakPolarHBondContact O-CB 3.36Å; G108-Q112 PolarHBondContact O-N 2.82Å
109L71.6Confident81.3Confident87 Ų8757.3 Ų57.346%0.45530%0.299SS..Hα-helixtrans-66.7-41177.1-175.568.8000111.4A105 Q112 K113A105-L109 VanDerWaalsContact O-CB 3.23Å; A105-L109 WeakPolarHBondContact O-CB 3.29Å; A105-L109 PolarHBondContact O-N 3.16Å; L109-Q112 PolarHBondContact O-N 2.88Å; L109-K113 HydrophobicContact CG-CD 4.35Å; L109-K113 WeakPolarHBondContact O-CB 3.49Å; L109-K113 VanDerWaalsContact O-CG 3.28Å; L109-K113 WeakPolarHBondContact O-CG 3.49Å; L109-K113 PolarHBondContact O-N 3.05Å
110L75.9Confident81.3Confident29 Ų2961.7 Ų61.715%0.15232%0.319CS..Hα-helixtrans-63.5-47.4175.1-68.1173.5000110.3G106 E107 Q112 K113 Y114 E211 W214G106-L110 VanDerWaalsContact O-CG 3.25Å; G106-L110 WeakPolarHBondContact O-CG 3.45Å; G106-L110 PolarHBondContact O-N 3.39Å; G106-L110 VanDerWaalsContact O-N 3.16Å; E107-L110 PolarHBondContact O-N 3.23Å; L110-Q112 VanDerWaalsContact C-N 3.34Å; L110-Q112 PolarHBondContact O-N 2.95Å; L110-K113 PolarHBondContact O-N 2.98Å; L110-Y114 WeakPolarHBondContact O-CB 3.35Å; L110-Y114 PolarHBondContact O-N 3.47Å; L110-E211 HydrophobicContact CD1-CG 4.19Å; L110-W214 HydrophobicContact CB-CE3 4.01Å; L110-W214 HydrophobicContact CB-CH2 3.98Å; L110-W214 HydrophobicContact CB-CZ2 4.48Å; L110-W214 HydrophobicContact CB-CZ3 3.69Å; L110-W214 HydrophobicContact CD2-CD2 3.6Å; L110-W214 VanDerWaalsContact CD2-CE2 3.46Å; L110-W214 HydrophobicContact CD2-CE3 3.92Å; L110-W214 HydrophobicContact CD2-CG 4.15Å; L110-W214 HydrophobicContact CD2-CH2 4.08Å; L110-W214 HydrophobicContact CD2-CZ2 3.72Å; L110-W214 HydrophobicContact CD2-CZ3 4.15Å; L110-W214 HydrophobicContact CG-CD2 4.49Å; L110-W214 HydrophobicContact CG-CE3 4.37Å; L110-W214 HydrophobicContact CG-CZ3 4.45Å; L110-W214 WeakPolarHBondContact O-CH2 3.43Å; L110-W214 WeakPolarHBondContact O-CZ3 3.33Å
111Q78.5Confident81.4Confident102 Ų10259.6 Ų59.648%0.47731%0.309SS..Hα-helixtrans-59.6-43.5177.6-173.11730.500112.5E107 G108 Y114 E115E107-Q111 WeakPolarHBondContact O-CB 3.42Å; E107-Q111 PolarHBondContact O-N 2.93Å; G108-Q111 PolarHBondContact O-N 2.97Å; Q111-Y114 WeakPolarHBondContact O-CB 3.3Å; Q111-Y114 PolarHBondContact O-N 2.86Å; Q111-E115 PolarHBondContact O-N 3.01Å
112Q79.1Confident81.6Confident103 Ų10363.6 Ų63.648%0.48132%0.324SS..Hα-helixtrans-63.1-44176.5-172.9-178.86.900111.9G108 L109 L110 Y114 E115 Q116G108-Q112 WeakPolarHBondContact O-CB 3.36Å; G108-Q112 PolarHBondContact O-N 2.82Å; L109-Q112 PolarHBondContact O-N 2.88Å; L110-Q112 VanDerWaalsContact C-N 3.34Å; L110-Q112 PolarHBondContact O-N 2.95Å; Q112-Y114 VanDerWaalsContact C-N 3.29Å; Q112-Y114 PolarHBondContact O-N 2.91Å; Q112-E115 PolarHBondContact O-N 3.36Å; Q112-Q116 HydrophobicContact CG-CG 4.47Å; Q112-Q116 WeakPolarHBondContact O-CB 3.45Å; Q112-Q116 VanDerWaalsContact O-CG 3.26Å; Q112-Q116 WeakPolarHBondContact O-CG 3.37Å; Q112-Q116 PolarHBondContact O-N 3.24Å
113K84.7Confident81.8Confident104 Ų10467.5 Ų67.545%0.45236%0.358SS..Hα-helixtrans-60.5-40.1175.1-77.6177.4177.7-179.60111.6L109 L110 L117 W214L109-K113 HydrophobicContact CG-CD 4.35Å; L109-K113 WeakPolarHBondContact O-CB 3.49Å; L109-K113 VanDerWaalsContact O-CG 3.28Å; L109-K113 WeakPolarHBondContact O-CG 3.49Å; L109-K113 PolarHBondContact O-N 3.05Å; L110-K113 PolarHBondContact O-N 2.98Å; K113-L117 VanDerWaalsContact O-CB 3.25Å; K113-L117 WeakPolarHBondContact O-CB 3.46Å; K113-L117 PolarHBondContact O-N 3.32Å; K113-W214 HydrophobicContact CB-CH2 4.02Å; K113-W214 HydrophobicContact CB-CZ2 3.94Å
114Y87.7Confident82.3Confident40 Ų4068.3 Ų68.316%0.15736%0.361CS..Hα-helixtrans-63-49.1177.1170.2-92.4000111.1L110 Q111 Q112 L117 K118 N217 V242 I244L110-Y114 WeakPolarHBondContact O-CB 3.35Å; L110-Y114 PolarHBondContact O-N 3.47Å; Q111-Y114 WeakPolarHBondContact O-CB 3.3Å; Q111-Y114 PolarHBondContact O-N 2.86Å; Q112-Y114 VanDerWaalsContact C-N 3.29Å; Q112-Y114 PolarHBondContact O-N 2.91Å; Y114-L117 PolarHBondContact O-N 2.83Å; Y114-K118 HydrophobicContact CE1-CD 4.09Å; Y114-K118 WeakPolarHBondContact O-CB 3.42Å; Y114-K118 PolarHBondContact O-N 2.97Å; Y114-N217 HydrophobicContact CD2-CB 4.36Å; Y114-V242 PolarHBondContact OH-O 3.45Å; Y114-I244 HydrophobicContact CD2-CD1 4.1Å; Y114-I244 HydrophobicContact CD2-CG1 3.9Å; Y114-I244 HydrophobicContact CE2-CD1 4.46Å; Y114-I244 HydrophobicContact CE2-CG1 3.77Å
115E88Confident83Confident110 Ų11067 Ų6751%0.51436%0.355SS..Hα-helixtrans-64.5-42.4179.8-73-177.8-174.900111.9Q111 Q112 K118 A119Q111-E115 PolarHBondContact O-N 3.01Å; Q112-E115 PolarHBondContact O-N 3.36Å; E115-K118 PolarHBondContact O-N 2.8Å; E115-A119 WeakPolarHBondContact O-CB 3.27Å; E115-A119 PolarHBondContact O-N 3.11Å
116Q89.3Confident84.1Confident114 Ų11466.9 Ų66.953%0.53335%0.352SS..Hα-helixtrans-61.2-46.7175.5-75.3175.8-7.600111.8Q112 A119 K120Q112-Q116 HydrophobicContact CG-CG 4.47Å; Q112-Q116 WeakPolarHBondContact O-CB 3.45Å; Q112-Q116 VanDerWaalsContact O-CG 3.26Å; Q112-Q116 WeakPolarHBondContact O-CG 3.37Å; Q112-Q116 PolarHBondContact O-N 3.24Å; Q116-A119 PolarHBondContact O-N 3.45Å; Q116-K120 WeakPolarHBondContact O-CB 3.39Å; Q116-K120 PolarHBondContact O-N 3.33Å
117L90.9Very high85.5Confident25 Ų2566.3 Ų66.313%0.13134%0.338CS..Hα-helixtrans-69.1-40-180-176.259.2000111.6K113 Y114 A119 K120 L121 N217 E219 I244K113-L117 VanDerWaalsContact O-CB 3.25Å; K113-L117 WeakPolarHBondContact O-CB 3.46Å; K113-L117 PolarHBondContact O-N 3.32Å; Y114-L117 PolarHBondContact O-N 2.83Å; L117-A119 PolarHBondContact O-N 2.87Å; L117-K120 HydrophobicContact CD1-CD 4.41Å; L117-K120 PolarHBondContact O-N 3.36Å; L117-L121 HydrophobicContact CD1-CD1 3.96Å; L117-L121 HydrophobicContact CD1-CD2 4.33Å; L117-L121 HydrophobicContact CD1-CG 3.88Å; L117-L121 HydrophobicContact CG-CD1 3.97Å; L117-L121 HydrophobicContact CG-CG 4.26Å; L117-L121 WeakPolarHBondContact O-CB 3.43Å; L117-L121 WeakPolarHBondContact O-CG 3.17Å; L117-L121 PolarHBondContact O-N 2.82Å; L117-N217 WeakPolarHBondContact CD2-O 3.38Å; L117-E219 HydrophobicContact CD1-CB 3.86Å; L117-E219 HydrophobicContact CD1-CG 3.97Å; L117-E219 HydrophobicContact CD2-CB 4.1Å; L117-I244 HydrophobicContact CB-CD1 3.85Å; L117-I244 HydrophobicContact CD2-CD1 3.41Å; L117-I244 VanDerWaalsContact CD2-CD1 3.41Å; L117-I244 HydrophobicContact CG-CD1 3.58Å
118K92Very high86.9Confident64 Ų6464 Ų6428%0.27833%0.329SS..Hα-helixtrans-57.9-48.3173.5-176.4-178.8179.9179.50110.9Y114 E115 K120 Q122 F127 F247Y114-K118 HydrophobicContact CE1-CD 4.09Å; Y114-K118 WeakPolarHBondContact O-CB 3.42Å; Y114-K118 PolarHBondContact O-N 2.97Å; E115-K118 PolarHBondContact O-N 2.8Å; K118-K120 PolarHBondContact O-N 2.9Å; K118-Q122 WeakPolarHBondContact O-CB 3.29Å; K118-Q122 PolarHBondContact O-N 3.23Å; K118-F127 HydrophobicContact CG-CE2 3.9Å; K118-F127 HydrophobicContact CG-CZ 4.37Å; K118-F127 WeakPolarHBondContact O-CE2 3.3Å; K118-F247 HydrophobicContact CD-CE2 4.42Å
119A91.3Very high88.1Confident59 Ų5970.5 Ų70.549%0.48836%0.358SS..Hα-helixtrans-62.3-42.8177.700000112.2E115 Q116 L117 A123E115-A119 WeakPolarHBondContact O-CB 3.27Å; E115-A119 PolarHBondContact O-N 3.11Å; Q116-A119 PolarHBondContact O-N 3.45Å; L117-A119 PolarHBondContact O-N 2.87Å; A119-A123 WeakPolarHBondContact O-CB 3.42Å; A119-A123 PolarHBondContact O-N 3.11Å
120K93.5Very high89Confident93 Ų9373.1 Ų73.140%0.40437%0.368SS..Hα-helixtrans-60.1-53.5176.7179.7-174.7171.2-166.70112Q116 L117 K118 Q122 A123 E124 E219Q116-K120 WeakPolarHBondContact O-CB 3.39Å; Q116-K120 PolarHBondContact O-N 3.33Å; L117-K120 HydrophobicContact CD1-CD 4.41Å; L117-K120 PolarHBondContact O-N 3.36Å; K118-K120 PolarHBondContact O-N 2.9Å; K120-Q122 VanDerWaalsContact C-N 3.33Å; K120-Q122 PolarHBondContact O-N 3.35Å; K120-A123 PolarHBondContact O-N 2.91Å; K120-E124 WeakPolarHBondContact CE-OE1 3.47Å; K120-E124 PolarHBondContact O-N 3.42Å; K120-E124 VanDerWaalsContact O-N 3.08Å; K120-E219 IonicContact NZ-OE1 3.18Å; K120-E219 PolarHBondContact NZ-OE1 2.87Å; K120-E219 IonicContact NZ-OE2 2.99Å; K120-E219 PolarHBondContact NZ-OE2 3.29Å
121L92.9Very high89.7Confident0 Ų077.6 Ų77.60%038%0.383CS..Hα-helixtrans-69.7-31.2-177.3-63.9-179.2000112.6L117 E124 G125 L126 F127 E219 A222 I244L117-L121 HydrophobicContact CD1-CD1 3.96Å; L117-L121 HydrophobicContact CD1-CD2 4.33Å; L117-L121 HydrophobicContact CD1-CG 3.88Å; L117-L121 HydrophobicContact CG-CD1 3.97Å; L117-L121 HydrophobicContact CG-CG 4.26Å; L117-L121 WeakPolarHBondContact O-CB 3.43Å; L117-L121 WeakPolarHBondContact O-CG 3.17Å; L117-L121 PolarHBondContact O-N 2.82Å; L121-E124 PolarHBondContact O-N 3.46Å; L121-G125 PolarHBondContact O-N 3.49Å; L121-L126 HydrophobicContact CD2-CD2 4.15Å; L121-L126 PolarHBondContact O-N 3.17Å; L121-L126 VanDerWaalsContact O-N 3.14Å; L121-F127 HydrophobicContact CB-CE1 3.87Å; L121-F127 HydrophobicContact CB-CE2 4.41Å; L121-F127 HydrophobicContact CB-CZ 3.65Å; L121-E219 HydrophobicContact CD2-CG 4.32Å; L121-A222 HydrophobicContact CD1-CB 3.71Å; L121-I244 HydrophobicContact CD1-CG2 3.54Å
122Q92.6Very high90.3Very high115 Ų11574.9 Ų74.954%0.53737%0.37SS..Hα-helixtrans-64.6-42.7171-172.2170.2-10.300111.5K118 K120 E124 G125 F127K118-Q122 WeakPolarHBondContact O-CB 3.29Å; K118-Q122 PolarHBondContact O-N 3.23Å; K120-Q122 VanDerWaalsContact C-N 3.33Å; K120-Q122 PolarHBondContact O-N 3.35Å; Q122-E124 VanDerWaalsContact C-N 3.28Å; Q122-E124 PolarHBondContact O-N 2.93Å; Q122-G125 PolarHBondContact O-N 3.08Å; Q122-F127 HydrophobicContact CB-CD2 3.58Å; Q122-F127 HydrophobicContact CB-CE2 3.65Å; Q122-F127 HydrophobicContact CG-CD2 3.95Å; Q122-F127 HydrophobicContact CG-CE2 4.45Å
123A92.5Very high91Very high91 Ų9173.4 Ų73.475%0.75236%0.362SS*.Hα-helixtrans-65.9-30.2176.800000112.8A119 K120 G125A119-A123 WeakPolarHBondContact O-CB 3.42Å; A119-A123 PolarHBondContact O-N 3.11Å; K120-A123 PolarHBondContact O-N 2.91Å; A123-G125 PolarHBondContact O-N 2.85Å
124E91.9Very high91.3Very high88 Ų8874 Ų7441%0.41138%0.377SS..THydrogen-bonded Turntrans-75-10172-69.7179.4-151.100113.4K120 L121 Q122 L126 R223K120-E124 WeakPolarHBondContact CE-OE1 3.47Å; K120-E124 PolarHBondContact O-N 3.42Å; K120-E124 VanDerWaalsContact O-N 3.08Å; L121-E124 PolarHBondContact O-N 3.46Å; Q122-E124 VanDerWaalsContact C-N 3.28Å; Q122-E124 PolarHBondContact O-N 2.93Å; E124-L126 HydrophobicContact CB-CD1 3.51Å; E124-R223 VanDerWaalsContact CD-NH2 3.32Å; E124-R223 IonicContact OE1-NH2 2.98Å; E124-R223 PolarHBondContact OE1-NH2 3.16Å; E124-R223 IonicContact OE2-CZ 3.24Å; E124-R223 VanDerWaalsContact OE2-CZ 3.23Å; E124-R223 IonicContact OE2-NH1 3.34Å; E124-R223 PolarHBondContact OE2-NH1 3.23Å; E124-R223 IonicContact OE2-NH2 3.77Å; E124-R223 PolarHBondContact OE2-NH2 3.34Å
125G90.6Very high91.4Very high9 Ų974.4 Ų74.49%0.09338%0.381CS..THydrogen-bonded Turntrans82.410.9178.900000115.1L121 Q122 A123 F127 D128 Y131L121-G125 PolarHBondContact O-N 3.49Å; Q122-G125 PolarHBondContact O-N 3.08Å; A123-G125 PolarHBondContact O-N 2.85Å; G125-F127 PolarHBondContact O-N 3.07Å; G125-F127 VanDerWaalsContact O-N 3.12Å; G125-D128 WeakPolarHBondContact O-CB 3.46Å; G125-D128 VanDerWaalsContact O-CG 3.29Å; G125-D128 PolarHBondContact O-N 3.27Å; G125-Y131 WeakPolarHBondContact O-CD2 3.45Å
126L92.6Very high91.4Very high12 Ų1271 Ų716%0.06337%0.368CS..THydrogen-bonded Turntrans-64.9-17.9-178.3-87.578000113.5L121 E124 R223 F226L121-L126 HydrophobicContact CD2-CD2 4.15Å; L121-L126 PolarHBondContact O-N 3.17Å; L121-L126 VanDerWaalsContact O-N 3.14Å; E124-L126 HydrophobicContact CB-CD1 3.51Å; L126-R223 HydrophobicContact CD2-CG 4.39Å; L126-F226 HydrophobicContact CB-CD2 4.12Å; L126-F226 HydrophobicContact CB-CE2 4.36Å; L126-F226 HydrophobicContact CD2-CB 4.08Å; L126-F226 HydrophobicContact CD2-CD2 4.45Å; L126-F226 HydrophobicContact CD2-CG 4.15Å; L126-F226 HydrophobicContact CG-CB 4.42Å; L126-F226 HydrophobicContact CG-CD1 4.31Å; L126-F226 HydrophobicContact CG-CD2 3.9Å; L126-F226 HydrophobicContact CG-CE2 4.2Å; L126-F226 HydrophobicContact CG-CG 3.95Å
127F93.6Very high91.1Very high29 Ų2971.4 Ų71.413%0.12738%0.384CS..THydrogen-bonded Turntrans-94.4-3.6179-52.8-23.2000112.7K118 L121 Q122 G125 Q129 I244 F247 V248K118-F127 HydrophobicContact CG-CE2 3.9Å; K118-F127 HydrophobicContact CG-CZ 4.37Å; K118-F127 WeakPolarHBondContact O-CE2 3.3Å; L121-F127 HydrophobicContact CB-CE1 3.87Å; L121-F127 HydrophobicContact CB-CE2 4.41Å; L121-F127 HydrophobicContact CB-CZ 3.65Å; Q122-F127 HydrophobicContact CB-CD2 3.58Å; Q122-F127 HydrophobicContact CB-CE2 3.65Å; Q122-F127 HydrophobicContact CG-CD2 3.95Å; Q122-F127 HydrophobicContact CG-CE2 4.45Å; G125-F127 PolarHBondContact O-N 3.07Å; G125-F127 VanDerWaalsContact O-N 3.12Å; F127-Q129 PolarHBondContact O-N 2.88Å; F127-I244 HydrophobicContact CE1-CG2 4.35Å; F127-I244 HydrophobicContact CZ-CG2 4.4Å; F127-F247 HydrophobicContact CD1-CB 3.54Å; F127-F247 HydrophobicContact CD2-CB 4.25Å; F127-F247 HydrophobicContact CE1-CB 3.67Å; F127-F247 HydrophobicContact CE2-CB 4.33Å; F127-F247 HydrophobicContact CG-CB 3.88Å; F127-F247 HydrophobicContact CZ-CB 4.07Å; F127-V248 HydrophobicContact CD1-CG2 3.78Å; F127-V248 HydrophobicContact CE1-CG2 3.5Å; F127-V248 VanDerWaalsContact CE1-CG2 3.5Å
128D90.7Very high90.6Very high62 Ų6272.7 Ų72.733%0.33239%0.394SS..  trans-66.3132.8-173.6-65.9-15.9000111.2G125 Q130 Y131G125-D128 WeakPolarHBondContact O-CB 3.46Å; G125-D128 VanDerWaalsContact O-CG 3.29Å; G125-D128 PolarHBondContact O-N 3.27Å; D128-Q130 HydrophobicContact CB-CG 3.89Å; D128-Q130 PolarHBondContact O-N 2.94Å; D128-Q130 PolarHBondContact OD2-NE2 3.38Å; D128-Q130 VanDerWaalsContact OD2-NE2 3.13Å; D128-Y131 HydrophobicContact CB-CD2 3.86Å; D128-Y131 HydrophobicContact CB-CE2 4.1Å; D128-Y131 PolarHBondContact O-N 3.49Å; D128-Y131 VanDerWaalsContact O-N 3.13Å
129Q89.7Confident90.5Very high145 Ų14569.7 Ų69.768%0.67838%0.381SS*.G310 helixtrans-58.6-24.6-178.9-166.263.334.600113.1F127 Y131 K132F127-Q129 PolarHBondContact O-N 2.88Å; Q129-Y131 VanDerWaalsContact C-N 3.27Å; Q129-Y131 PolarHBondContact O-N 3.44Å; Q129-K132 PolarHBondContact O-N 3.35Å
130Q90.8Very high90.5Very high142 Ų14273 Ų7366%0.66439%0.386SS*.G310 helixtrans-66.2-25.3-179.768.7-172.1-27.800114.1D128D128-Q130 HydrophobicContact CB-CG 3.89Å; D128-Q130 PolarHBondContact O-N 2.94Å; D128-Q130 PolarHBondContact OD2-NE2 3.38Å; D128-Q130 VanDerWaalsContact OD2-NE2 3.13Å
131Y90.4Very high90.5Very high123 Ų12369.3 Ų69.348%0.48237%0.372SS..G310 helixtrans-91.1-10.9179.2-61.2-63.7000112.7G125 D128 Q129 F226G125-Y131 WeakPolarHBondContact O-CD2 3.45Å; D128-Y131 HydrophobicContact CB-CD2 3.86Å; D128-Y131 HydrophobicContact CB-CE2 4.1Å; D128-Y131 PolarHBondContact O-N 3.49Å; D128-Y131 VanDerWaalsContact O-N 3.13Å; Q129-Y131 VanDerWaalsContact C-N 3.27Å; Q129-Y131 PolarHBondContact O-N 3.44Å; Y131-F226 HydrophobicContact CD1-CZ 4.14Å; Y131-F226 AromaticContact CD2-CE2 3.93Å; Y131-F226 HydrophobicContact CD2-CE2 3.93Å; Y131-F226 AromaticContact CD2-CZ 3.89Å; Y131-F226 HydrophobicContact CD2-CZ 3.89Å; Y131-F226 HydrophobicContact CE2-CZ 4.48Å; Y131-F226 AromaticContact CG-CE2 3.83Å; Y131-F226 HydrophobicContact CG-CE2 3.83Å; Y131-F226 AromaticContact CG-CZ 3.71Å; Y131-F226 HydrophobicContact CG-CZ 3.71Å
132K92.4Very high90.6Very high45 Ų4569.3 Ų69.320%0.19637%0.372CS..PPolyproline II helixtrans-74.5127.6-178.8-60-163.7179.7-144.50110.9Q129 F247 A249 D250Q129-K132 PolarHBondContact O-N 3.35Å; K132-F247 PolarHBondContact NZ-O 3.44Å; K132-A249 WeakPolarHBondContact CE-O 3.26Å; K132-A249 PolarHBondContact NZ-O 2.71Å; K132-D250 WeakPolarHBondContact CA-OD1 3.37Å
133K92.4Very high90.8Very high71 Ų7163.9 Ų63.931%0.30935%0.346SS..PPolyproline II helixtrans-82.9142.4-177.8-63.1171.7-175.6-176.10111.1S228 R229 P231 D250K133-S228 PolarHBondContact NZ-O 3.4Å; K133-R229 VanDerWaalsContact NZ-C 3.34Å; K133-R229 VanDerWaalsContact NZ-CA 3.29Å; K133-R229 PolarHBondContact NZ-O 3.37Å; K133-P231 HydrophobicContact CB-CB 4.26Å; K133-P231 HydrophobicContact CB-CG 3.97Å; K133-P231 HydrophobicContact CD-CG 4.42Å; K133-D250 PolarHBondContact N-OD1 3.04Å
134P91.8Very high91Very high117 Ų11759.6 Ų59.676%0.7631%0.311SS*.PPolyproline II helixtrans-67136.7172.728.8-33.5000110.1
135L90.1Very high91.2Very high48 Ų4855.4 Ų55.425%0.25129%0.291SS..PPolyproline II helixtrans-72.4141.3174.2-67.6172.5000110.8S137 V200 P231 V233 L251 V262L135-S137 PolarHBondContact O-N 2.9Å; L135-V200 HydrophobicContact CD2-CG2 3.68Å; L135-P231 HydrophobicContact CD2-CB 3.88Å; L135-V233 HydrophobicContact CD1-CG2 4.09Å; L135-V233 HydrophobicContact CD2-CG2 3.64Å; L135-L251 HydrophobicContact CD1-CB 3.78Å; L135-L251 HydrophobicContact CD1-CD2 3.41Å; L135-L251 VanDerWaalsContact CD1-CD2 3.41Å; L135-L251 HydrophobicContact CD1-CG 4.13Å; L135-V262 HydrophobicContact CD1-CG1 3.99Å
136P87.3Confident91.3Very high38 Ų3855 Ų5525%0.24729%0.287CS..PPolyproline II helixtrans-65129.1172.628.5-34.2000109.9P138 A139 D199 V200P136-P138 CarbonylContact O-C 3.51Å; P136-A139 HydrophobicContact CG-CB 4.09Å; P136-A139 PolarHBondContact O-N 3.09Å; P136-D199 HydrophobicContact CG-CB 4.13Å; P136-V200 HydrophobicContact CG-CB 4.08Å; P136-V200 HydrophobicContact CG-CG1 4.49Å
137S83.5Confident91.3Very high123 Ų12355.8 Ų55.886%0.8629%0.294SS*.SBendtrans-127.9103.6175.9-1740000109.7L135L135-S137 PolarHBondContact O-N 2.9Å
138P80.7Confident91.1Very high53 Ų5362.2 Ų62.234%0.34432%0.321SS..SBendcis-79.3157.8-4.334.6-35.9000113.6P136 R265P136-P138 CarbonylContact O-C 3.51Å; P138-R265 VanDerWaalsContact CB-CD 3.49Å; P138-R265 HydrophobicContact CB-CG 3.2Å; P138-R265 HydrophobicContact CG-CG 4.01Å
139A89Confident90.7Very high0 Ų065.2 Ų65.20%034%0.342CS..  trans-70146.8164.200000110.6P136 V142 L167 D199 V200P136-A139 HydrophobicContact CG-CB 4.09Å; P136-A139 PolarHBondContact O-N 3.09Å; A139-V142 HydrophobicContact CB-CG2 4.21Å; A139-L167 HydrophobicContact CB-CD1 4.38Å; A139-L167 WeakPolarHBondContact O-CD1 3.28Å; A139-D199 WeakPolarHBondContact CA-OD2 3.4Å; A139-V200 HydrophobicContact CB-CG1 3.77Å
140H90.8Very high90.3Very high130 Ų13059 Ų5960%0.60232%0.317SS*.SBendtrans-104.2-24.9178.5-61.785.1000112.2P168 D199H140-P168 WeakPolarHBondContact O-CD 3.25Å; H140-D199 IonicContact CG-OD2 3.27Å; H140-D199 VanDerWaalsContact N-CG 3.31Å; H140-D199 PolarHBondContact N-OD1 3.34Å; H140-D199 VanDerWaalsContact N-OD1 3.14Å; H140-D199 PolarHBondContact N-OD2 3.4Å; H140-D199 IonicContact ND1-OD2 2.59Å; H140-D199 PolarHBondContact ND1-OD2 3.33Å
141C94.4Very high90.1Very high15 Ų1555.5 Ų55.510%0.10131%0.312CS..  trans-158119.9174.1-179.10000111.3P168 E197 C198 D199C141-P168 WeakPolarHBondContact CA-O 3.44Å; C141-P168 HydrophobicContact CB-CB 4.33Å; C141-E197 WeakPolarHBondContact CB-O 3.39Å; C141-E197 PolarHBondContact SG-O 3.49Å; C141-E197 VanDerWaalsContact SG-O 3.33Å; C141-C198 CarbonylContact O-C 3.58Å; C141-C198 VanDerWaalsContact O-CA 3.22Å; C141-C198 WeakPolarHBondContact O-CA 3.43Å; C141-C198 WeakPolarHBondContact O-CB 3.29Å; C141-D199 VanDerWaalsContact C-OD1 3.29Å; C141-D199 PolarHBondContact N-OD1 2.92Å; C141-D199 PolarHBondContact O-N 3.25Å
142V95.5Very high90Very high0 Ų049.8 Ų49.80%029%0.29CS..EExtended strand (participates in β ladder)trans-96.1128.8-178.6179.70000110.4A139 V144 L167 P168 V169 I170 V200 I202 V263A139-V142 HydrophobicContact CB-CG2 4.21Å; V142-V144 HydrophobicContact CG1-CG2 4.06Å; V142-L167 HydrophobicContact CG2-CD1 4.28Å; V142-L167 HydrophobicContact CG2-CD2 3.45Å; V142-L167 VanDerWaalsContact CG2-CD2 3.45Å; V142-L167 HydrophobicContact CG2-CG 3.96Å; V142-P168 PolarHBondContact N-O 3.27Å; V142-V169 CarbonylContact O-C 3.58Å; V142-V169 WeakPolarHBondContact O-CA 3.35Å; V142-I170 PolarHBondContact O-N 2.99Å; V142-V200 HydrophobicContact CB-CG1 4.33Å; V142-V200 HydrophobicContact CG1-CG1 4.31Å; V142-V200 HydrophobicContact CG2-CG1 3.75Å; V142-I202 HydrophobicContact CG1-CD1 3.84Å; V142-I202 HydrophobicContact CG1-CG1 3.98Å; V142-V263 HydrophobicContact CG1-CG2 4.32Å; V142-V263 HydrophobicContact CG2-CB 4.12Å; V142-V263 HydrophobicContact CG2-CG2 3.73Å
143G96Very high90.1Very high0 Ų048.1 Ų48.10%028%0.284CS..EExtended strand (participates in β ladder)trans-92.9132166.800000110.6I170 C198 V200 L201 I202G143-I170 CarbonylContact C-O 3.01Å; G143-I170 VanDerWaalsContact CA-O 3.3Å; G143-I170 WeakPolarHBondContact CA-O 3.26Å; G143-C198 VanDerWaalsContact CA-SG 3.52Å; G143-V200 PolarHBondContact N-O 3.34Å; G143-L201 CarbonylContact O-C 3.32Å; G143-L201 WeakPolarHBondContact O-CA 3.39Å; G143-I202 PolarHBondContact O-N 3.42Å
144V96.4Very high90Very high1 Ų150.5 Ų50.51%0.00630%0.296CS..EExtended strand (participates in β ladder)trans-117112.9179.9-175.80000109.3V142 T146 L153 I156 V169 I170 Y172V142-V144 HydrophobicContact CG1-CG2 4.06Å; V144-T146 HydrophobicContact CG1-CG2 3.7Å; V144-L153 HydrophobicContact CG1-CD1 4.08Å; V144-I156 HydrophobicContact CG1-CD1 3.8Å; V144-I156 HydrophobicContact CG2-CG2 3.98Å; V144-V169 HydrophobicContact CG2-CG1 3.66Å; V144-I170 PolarHBondContact N-O 3.01Å; V144-Y172 PolarHBondContact O-N 3.49Å
145I95.8Very high90.1Very high1 Ų148.4 Ų48.41%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-98.998.4176.2-54.6-178.1000107.7Y172 T174 A188 I189 L201 I202 V203 G204I145-Y172 HydrophobicContact CG1-CD2 4.25Å; I145-Y172 HydrophobicContact CG1-CG 4.36Å; I145-T174 HydrophobicContact CG2-CG2 4.19Å; I145-A188 HydrophobicContact CD1-CB 4.03Å; I145-A188 HydrophobicContact CG1-CB 4.29Å; I145-A188 HydrophobicContact CG2-CB 3.71Å; I145-I189 HydrophobicContact CD1-CB 4.27Å; I145-I189 HydrophobicContact CD1-CG1 3.49Å; I145-I189 VanDerWaalsContact CD1-CG1 3.49Å; I145-L201 HydrophobicContact CD1-CD1 4.24Å; I145-I202 PolarHBondContact N-O 2.87Å; I145-V203 HydrophobicContact CB-CG2 4.12Å; I145-V203 HydrophobicContact CD1-CG2 3.97Å; I145-V203 HydrophobicContact CG1-CG2 4.36Å; I145-G204 PolarHBondContact O-N 3.09Å
146T94.6Very high90.2Very high0 Ų046.2 Ų46.20%027%0.267CS..EExtended strand (participates in β ladder)trans-158.8175.8-180-162.20000110.8V144 L153 Y172 P173 T174 G204V144-T146 HydrophobicContact CG1-CG2 3.7Å; T146-L153 HydrophobicContact CG2-CB 3.68Å; T146-L153 HydrophobicContact CG2-CD1 3.9Å; T146-L153 HydrophobicContact CG2-CG 4.25Å; T146-Y172 PolarHBondContact N-O 2.93Å; T146-P173 WeakPolarHBondContact O-CA 3.4Å; T146-T174 CarbonylContact C-O 3.52Å; T146-T174 PolarHBondContact O-N 3.31Å; T146-G204 WeakPolarHBondContact CB-O 3.28Å; T146-G204 PolarHBondContact OG1-O 2.95Å
147S92.3Very high90.5Very high29 Ų2947.3 Ų47.320%0.20327%0.27CS..  trans-66.7141.1177.161.40000112.2T149 G150 T174S147-T149 PolarHBondContact O-N 3.25Å; S147-T149 VanDerWaalsContact O-N 3.14Å; S147-G150 PolarHBondContact O-N 3.38Å; S147-G150 WeakPolarHBondContact OG-CA 3.43Å; S147-G150 PolarHBondContact OG-N 2.9Å; S147-T174 VanDerWaalsContact CA-O 3.25Å; S147-T174 WeakPolarHBondContact CA-O 3.26Å; S147-T174 PolarHBondContact N-O 3.49Å
148K87.9Confident90.9Very high163 Ų16347.7 Ų47.771%0.70926%0.258SS*.THydrogen-bonded Turntrans-58.7-28-177.4-171.8176.7177.5-178.60113.8P173K148-P173 HydrophobicContact CB-CB 3.95Å; K148-P173 HydrophobicContact CG-CB 4.41Å
149T83.1Confident91.5Very high125 Ų12545.5 Ų45.577%0.76724%0.244SC*.THydrogen-bonded Turntrans-121.712.3-174.9550000113S147S147-T149 PolarHBondContact O-N 3.25Å; S147-T149 VanDerWaalsContact O-N 3.14Å
150G80.7Confident91.7Very high14 Ų1445.7 Ų45.714%0.14425%0.245CC..  trans-78.3148.4-175.900000113.5S147 A152 L153 H154S147-G150 PolarHBondContact O-N 3.38Å; S147-G150 WeakPolarHBondContact OG-CA 3.43Å; S147-G150 PolarHBondContact OG-N 2.9Å; G150-A152 PolarHBondContact O-N 3.44Å; G150-L153 WeakPolarHBondContact O-CB 3.35Å; G150-L153 PolarHBondContact O-N 2.91Å; G150-L153 VanDerWaalsContact O-N 3.08Å; G150-H154 PolarHBondContact O-N 3.41Å
151A86.3Confident91.7Very high69 Ų6947.2 Ų47.257%0.5725%0.249SC*.Hα-helixtrans-54.1-36.8172.700000112.3L153 H154 D155A151-L153 VanDerWaalsContact C-N 3.3Å; A151-L153 PolarHBondContact O-N 3.5Å; A151-H154 WeakPolarHBondContact O-CB 3.46Å; A151-H154 PolarHBondContact O-N 3.26Å; A151-H154 VanDerWaalsContact O-N 3.1Å; A151-D155 VanDerWaalsContact O-CG 3.32Å; A151-D155 PolarHBondContact O-N 2.93Å
152A89.8Confident91.5Very high3 Ų352.9 Ų52.93%0.02527%0.269CS..Hα-helixtrans-56.6-39.417700000113.7G150 I156 P256G150-A152 PolarHBondContact O-N 3.44Å; A152-I156 WeakPolarHBondContact O-CB 3.47Å; A152-I156 WeakPolarHBondContact O-CD1 3.36Å; A152-I156 VanDerWaalsContact O-CG1 3.23Å; A152-I156 WeakPolarHBondContact O-CG1 3.46Å; A152-I156 PolarHBondContact O-N 3.46Å; A152-P256 HydrophobicContact CB-CB 3.97Å; A152-P256 HydrophobicContact CB-CG 3.69Å
153L93Very high91.2Very high10 Ų1055.4 Ų55.45%0.05228%0.278CS..Hα-helixtrans-66.5-44.4177-178.359.2000110.8V144 T146 G150 A151 D155 I156 L157 I171V144-L153 HydrophobicContact CG1-CD1 4.08Å; T146-L153 HydrophobicContact CG2-CB 3.68Å; T146-L153 HydrophobicContact CG2-CD1 3.9Å; T146-L153 HydrophobicContact CG2-CG 4.25Å; G150-L153 WeakPolarHBondContact O-CB 3.35Å; G150-L153 PolarHBondContact O-N 2.91Å; G150-L153 VanDerWaalsContact O-N 3.08Å; A151-L153 VanDerWaalsContact C-N 3.3Å; A151-L153 PolarHBondContact O-N 3.5Å; L153-D155 VanDerWaalsContact C-N 3.34Å; L153-D155 PolarHBondContact O-N 2.88Å; L153-I156 PolarHBondContact O-N 3.17Å; L153-L157 HydrophobicContact CD1-CD1 3.96Å; L153-L157 HydrophobicContact CD1-CG 4.05Å; L153-L157 HydrophobicContact CG-CD1 3.9Å; L153-L157 HydrophobicContact CG-CG 4.37Å; L153-L157 WeakPolarHBondContact O-CB 3.29Å; L153-L157 VanDerWaalsContact O-CG 3.24Å; L153-L157 WeakPolarHBondContact O-CG 3.46Å; L153-L157 PolarHBondContact O-N 2.88Å; L153-I171 HydrophobicContact CD1-CD1 4Å; L153-I171 HydrophobicContact CD1-CG1 4.03Å; L153-I171 HydrophobicContact CD1-CG2 4.17Å; L153-I171 HydrophobicContact CD2-CD1 4.23Å; L153-I171 HydrophobicContact CD2-CG2 4.21Å
154H91.8Very high90.8Very high121 Ų12155.6 Ų55.656%0.5628%0.279SS*.Hα-helixtrans-61.3-43.5177.8-76.3-69.9000111.7G150 A151 L157 H158G150-H154 PolarHBondContact O-N 3.41Å; A151-H154 WeakPolarHBondContact O-CB 3.46Å; A151-H154 PolarHBondContact O-N 3.26Å; A151-H154 VanDerWaalsContact O-N 3.1Å; H154-L157 PolarHBondContact O-N 3.31Å; H154-H158 WeakPolarHBondContact O-CB 3.11Å; H154-H158 PolarHBondContact O-N 3.19Å
155D92.2Very high90.4Very high74 Ų7459.2 Ų59.240%0.39630%0.303SS..Hα-helixtrans-62.3-48.5177.9-70.2-16.6000111.5A151 L153 L157 H158 V159A151-D155 VanDerWaalsContact O-CG 3.32Å; A151-D155 PolarHBondContact O-N 2.93Å; L153-D155 VanDerWaalsContact C-N 3.34Å; L153-D155 PolarHBondContact O-N 2.88Å; D155-L157 PolarHBondContact O-N 2.9Å; D155-H158 PolarHBondContact O-N 2.91Å; D155-V159 WeakPolarHBondContact O-CG2 3.41Å; D155-V159 PolarHBondContact O-N 2.88Å
156I92.7Very high90.1Very high1 Ų162.6 Ų62.61%0.00533%0.327CS..Hα-helixtrans-57.7-52.7176.1-70.9165.3000110.1V144 A152 L153 H158 V159 L160 I202 P256 A260V144-I156 HydrophobicContact CG1-CD1 3.8Å; V144-I156 HydrophobicContact CG2-CG2 3.98Å; A152-I156 WeakPolarHBondContact O-CB 3.47Å; A152-I156 WeakPolarHBondContact O-CD1 3.36Å; A152-I156 VanDerWaalsContact O-CG1 3.23Å; A152-I156 WeakPolarHBondContact O-CG1 3.46Å; A152-I156 PolarHBondContact O-N 3.46Å; L153-I156 PolarHBondContact O-N 3.17Å; I156-H158 VanDerWaalsContact C-N 3.32Å; I156-H158 PolarHBondContact O-N 2.94Å; I156-V159 PolarHBondContact O-N 3.27Å; I156-L160 HydrophobicContact CG2-CD1 3.79Å; I156-L160 HydrophobicContact CG2-CG 4.26Å; I156-L160 WeakPolarHBondContact O-CB 3.42Å; I156-L160 VanDerWaalsContact O-CG 3.29Å; I156-L160 WeakPolarHBondContact O-CG 3.47Å; I156-L160 PolarHBondContact O-N 2.8Å; I156-I202 HydrophobicContact CD1-CG2 3.88Å; I156-I202 HydrophobicContact CG2-CD1 4.38Å; I156-P256 HydrophobicContact CD1-CB 3.95Å; I156-P256 HydrophobicContact CG1-CB 3.79Å; I156-P256 WeakPolarHBondContact CG1-O 3.36Å; I156-A260 HydrophobicContact CB-CB 4.39Å; I156-A260 HydrophobicContact CG1-CB 4.46Å; I156-A260 HydrophobicContact CG2-CB 4.15Å
157L93.4Very high90Very high61 Ų6163.2 Ų63.232%0.31933%0.33SS..Hα-helixtrans-63.4-37.3-178-69.6176.3000112.4L153 H154 D155 K161 V169 I171L153-L157 HydrophobicContact CD1-CD1 3.96Å; L153-L157 HydrophobicContact CD1-CG 4.05Å; L153-L157 HydrophobicContact CG-CD1 3.9Å; L153-L157 HydrophobicContact CG-CG 4.37Å; L153-L157 WeakPolarHBondContact O-CB 3.29Å; L153-L157 VanDerWaalsContact O-CG 3.24Å; L153-L157 WeakPolarHBondContact O-CG 3.46Å; L153-L157 PolarHBondContact O-N 2.88Å; H154-L157 PolarHBondContact O-N 3.31Å; D155-L157 PolarHBondContact O-N 2.9Å; L157-K161 WeakPolarHBondContact O-CB 3.47Å; L157-K161 PolarHBondContact O-N 3.48Å; L157-V169 HydrophobicContact CD2-CB 4.34Å; L157-V169 HydrophobicContact CD2-CG1 3.97Å; L157-V169 HydrophobicContact CD2-CG2 4.47Å; L157-I171 HydrophobicContact CD1-CD1 4.34Å
158H92.9Very high90.1Very high131 Ų13165.2 Ų65.261%0.60634%0.342SS*.Hα-helixtrans-65.8-44.7177.7-175-89000111.4H154 D155 I156 R162H154-H158 WeakPolarHBondContact O-CB 3.11Å; H154-H158 PolarHBondContact O-N 3.19Å; D155-H158 PolarHBondContact O-N 2.91Å; I156-H158 VanDerWaalsContact C-N 3.32Å; I156-H158 PolarHBondContact O-N 2.94Å; H158-R162 WeakPolarHBondContact O-CB 3.42Å; H158-R162 PolarHBondContact O-N 3.36Å
159V92.8Very high90.4Very high7 Ų759.5 Ų59.54%0.04232%0.321CS..Hα-helixtrans-65-46.3176.8172.10000111.2D155 I156 R162 R163 A260 E261D155-V159 WeakPolarHBondContact O-CG2 3.41Å; D155-V159 PolarHBondContact O-N 2.88Å; I156-V159 PolarHBondContact O-N 3.27Å; V159-R162 PolarHBondContact O-N 3.18Å; V159-R163 HydrophobicContact CG1-CG 4.39Å; V159-R163 WeakPolarHBondContact O-CB 3.31Å; V159-R163 PolarHBondContact O-N 2.88Å; V159-A260 HydrophobicContact CB-CB 3.74Å; V159-A260 HydrophobicContact CG1-CB 3.59Å; V159-E261 HydrophobicContact CG1-CG 3.61Å
160L92.5Very high91Very high4 Ų455.2 Ų55.22%0.02129%0.293CS..Hα-helixtrans-61.9-46.7177.7-68.4-177.7000111.3I156 R162 R163 D164 L167 V169 A260 V263I156-L160 HydrophobicContact CG2-CD1 3.79Å; I156-L160 HydrophobicContact CG2-CG 4.26Å; I156-L160 WeakPolarHBondContact O-CB 3.42Å; I156-L160 VanDerWaalsContact O-CG 3.29Å; I156-L160 WeakPolarHBondContact O-CG 3.47Å; I156-L160 PolarHBondContact O-N 2.8Å; L160-R162 PolarHBondContact O-N 3.4Å; L160-R163 PolarHBondContact O-N 2.99Å; L160-D164 CarbonylContact O-C 3.57Å; L160-D164 WeakPolarHBondContact O-CA 3.32Å; L160-D164 PolarHBondContact O-N 2.91Å; L160-L167 HydrophobicContact CD2-CD2 3.99Å; L160-V169 HydrophobicContact CD1-CG1 4.48Å; L160-V169 HydrophobicContact CD1-CG2 3.53Å; L160-A260 HydrophobicContact CD2-CB 3.94Å; L160-A260 WeakPolarHBondContact CD2-O 3.45Å; L160-A260 HydrophobicContact CG-CB 3.96Å; L160-V263 HydrophobicContact CD2-CG2 4.08Å
161K91.5Very high91.6Very high162 Ų16257.8 Ų57.870%0.70430%0.303SS*.Hα-helixtrans-59.7-34.4176.6-174.6176.9-178.8179.90112.8L157 P165L157-K161 WeakPolarHBondContact O-CB 3.47Å; L157-K161 PolarHBondContact O-N 3.48Å; K161-P165 VanDerWaalsContact O-CG 3.27Å; K161-P165 WeakPolarHBondContact O-CG 3.44Å
162R89.6Confident92Very high135 Ų13554.9 Ų54.951%0.50928%0.277SS..Hα-helixtrans-76.5-41.7178.7-175.2-173.968.1173.20.9112.6H158 V159 L160 E261H158-R162 WeakPolarHBondContact O-CB 3.42Å; H158-R162 PolarHBondContact O-N 3.36Å; V159-R162 PolarHBondContact O-N 3.18Å; L160-R162 PolarHBondContact O-N 3.4Å; R162-E261 IonicContact NH2-OE1 2.99Å; R162-E261 PolarHBondContact NH2-OE1 2.96Å
163R90.1Very high92.2Very high53 Ų5358.6 Ų58.620%0.230%0.301CS..Hα-helixtrans-93.3-42.4-171.3-68-177.469.2113.90.5113.4V159 L160 E261 S264 R265 Q267V159-R163 HydrophobicContact CG1-CG 4.39Å; V159-R163 WeakPolarHBondContact O-CB 3.31Å; V159-R163 PolarHBondContact O-N 2.88Å; L160-R163 PolarHBondContact O-N 2.99Å; R163-E261 IonicContact CZ-OE1 2.72Å; R163-E261 IonicContact NH1-OE1 2.9Å; R163-E261 PolarHBondContact NH1-OE1 3.21Å; R163-E261 IonicContact NH1-OE2 3.28Å; R163-E261 PolarHBondContact NH1-OE2 2.98Å; R163-S264 PolarHBondContact NE-OG 2.82Å; R163-R265 CarbonylContact C-O 3.6Å; R163-R265 VanDerWaalsContact C-O 3.32Å; R163-Q267 WeakPolarHBondContact O-CB 3.33Å; R163-Q267 PolarHBondContact O-N 3.31Å
164D88.2Confident92.2Very high3 Ų358.5 Ų58.52%0.01630%0.301CS..  trans-143.474.1-179.6-168.9-2.3000111.5L160 S166 L167 R265L160-D164 CarbonylContact O-C 3.57Å; L160-D164 WeakPolarHBondContact O-CA 3.32Å; L160-D164 PolarHBondContact O-N 2.91Å; D164-S166 PolarHBondContact O-N 3.35Å; D164-S166 PolarHBondContact OD1-N 2.94Å; D164-S166 PolarHBondContact OD1-OG 3.44Å; D164-L167 HydrophobicContact CB-CB 4.17Å; D164-L167 WeakPolarHBondContact O-CB 3.31Å; D164-L167 PolarHBondContact O-N 2.88Å; D164-L167 VanDerWaalsContact O-N 3.1Å; D164-L167 PolarHBondContact OD1-N 3.5Å; D164-R265 HydrophobicContact CB-CB 4.21Å; D164-R265 IonicContact OD1-CZ 3.21Å; D164-R265 IonicContact OD1-NE 2.98Å; D164-R265 IonicContact OD1-NH2 3.49Å; D164-R265 PolarHBondContact OD1-NH2 3.46Å; D164-R265 VanDerWaalsContact OD1-NH2 3.12Å; D164-R265 WeakPolarHBondContact OD2-CB 3.16Å; D164-R265 IonicContact OD2-CZ 3.87Å; D164-R265 PolarHBondContact OD2-N 2.9Å; D164-R265 IonicContact OD2-NE 3.08Å; D164-R265 PolarHBondContact OD2-NE 3.33Å; D164-R265 IonicContact OD2-NH2 3.75Å; D164-R265 PolarHBondContact OD2-NH2 2.7Å
165P87.9Confident92.3Very high77 Ų7754.3 Ų54.350%0.529%0.287SS..THydrogen-bonded Turntrans-61-14.6178.11.13000114K161K161-P165 VanDerWaalsContact O-CG 3.27Å; K161-P165 WeakPolarHBondContact O-CG 3.44Å
166S88.9Confident92.2Very high73 Ų7351.2 Ų51.251%0.5127%0.27SS..THydrogen-bonded Turntrans-87.4-7179.471.20000113.8D164 P168 R265D164-S166 PolarHBondContact O-N 3.35Å; D164-S166 PolarHBondContact OD1-N 2.94Å; D164-S166 PolarHBondContact OD1-OG 3.44Å; S166-P168 VanDerWaalsContact O-CD 3.26Å; S166-P168 WeakPolarHBondContact O-CD 3.36Å; S166-R265 PolarHBondContact OG-NH2 3.28Å
167L91.5Very high92Very high12 Ų1256 Ų566%0.06329%0.293CS..SBendtrans-78115.5-179.1-170.358000110.5A139 V142 L160 D164A139-L167 HydrophobicContact CB-CD1 4.38Å; A139-L167 WeakPolarHBondContact O-CD1 3.28Å; V142-L167 HydrophobicContact CG2-CD1 4.28Å; V142-L167 HydrophobicContact CG2-CD2 3.45Å; V142-L167 VanDerWaalsContact CG2-CD2 3.45Å; V142-L167 HydrophobicContact CG2-CG 3.96Å; L160-L167 HydrophobicContact CD2-CD2 3.99Å; D164-L167 HydrophobicContact CB-CB 4.17Å; D164-L167 WeakPolarHBondContact O-CB 3.31Å; D164-L167 PolarHBondContact O-N 2.88Å; D164-L167 VanDerWaalsContact O-N 3.1Å; D164-L167 PolarHBondContact OD1-N 3.5Å
168P94.3Very high91.7Very high71 Ų7155.2 Ų55.246%0.46130%0.3SS..  trans-58.9135.5168.6-19.632.9000111H140 C141 V142 S166H140-P168 WeakPolarHBondContact O-CD 3.25Å; C141-P168 WeakPolarHBondContact CA-O 3.44Å; C141-P168 HydrophobicContact CB-CB 4.33Å; V142-P168 PolarHBondContact N-O 3.27Å; S166-P168 VanDerWaalsContact O-CD 3.26Å; S166-P168 WeakPolarHBondContact O-CD 3.36Å
169V94.9Very high91.4Very high43 Ų4356.6 Ų56.626%0.26131%0.311SS..EExtended strand (participates in β ladder)trans-124.2122.4177.7-174.70000109V142 V144 L157 L160 I171V142-V169 CarbonylContact O-C 3.58Å; V142-V169 WeakPolarHBondContact O-CA 3.35Å; V144-V169 HydrophobicContact CG2-CG1 3.66Å; L157-V169 HydrophobicContact CD2-CB 4.34Å; L157-V169 HydrophobicContact CD2-CG1 3.97Å; L157-V169 HydrophobicContact CD2-CG2 4.47Å; L160-V169 HydrophobicContact CD1-CG1 4.48Å; L160-V169 HydrophobicContact CD1-CG2 3.53Å; V169-I171 HydrophobicContact CG1-CG1 4.42Å
170I95Very high91.2Very high35 Ų3562.3 Ų62.318%0.17934%0.342CS..EExtended strand (participates in β ladder)trans-105.2120.9174.5-63.2169.6000108.2V142 G143 V144 Y172 E197V142-I170 PolarHBondContact O-N 2.99Å; G143-I170 CarbonylContact C-O 3.01Å; G143-I170 VanDerWaalsContact CA-O 3.3Å; G143-I170 WeakPolarHBondContact CA-O 3.26Å; V144-I170 PolarHBondContact N-O 3.01Å; I170-Y172 HydrophobicContact CB-CE2 4.16Å; I170-Y172 HydrophobicContact CG2-CD2 4.22Å; I170-Y172 HydrophobicContact CG2-CE1 4.33Å; I170-Y172 HydrophobicContact CG2-CE2 3.6Å; I170-E197 HydrophobicContact CD1-CB 3.53Å; I170-E197 HydrophobicContact CD1-CG 4.43Å; I170-E197 WeakPolarHBondContact CD1-OE2 3.5Å
171I94.8Very high91.2Very high69 Ų6962.1 Ų62.135%0.35434%0.341SS..EExtended strand (participates in β ladder)trans-95.1124.1-179.1-56.3164.8000108.3L153 L157 V169 P173L153-I171 HydrophobicContact CD1-CD1 4Å; L153-I171 HydrophobicContact CD1-CG1 4.03Å; L153-I171 HydrophobicContact CD1-CG2 4.17Å; L153-I171 HydrophobicContact CD2-CD1 4.23Å; L153-I171 HydrophobicContact CD2-CG2 4.21Å; L157-I171 HydrophobicContact CD1-CD1 4.34Å; V169-I171 HydrophobicContact CG1-CG1 4.42Å; I171-P173 WeakPolarHBondContact O-CD 3.41Å
172Y95.2Very high91.3Very high8 Ų854.7 Ų54.73%0.03131%0.309CS..EExtended strand (participates in β ladder)trans-103.292.1170.5-63.5-86.7000107.6V144 I145 T146 I170 T174 L191 A192 L201V144-Y172 PolarHBondContact O-N 3.49Å; I145-Y172 HydrophobicContact CG1-CD2 4.25Å; I145-Y172 HydrophobicContact CG1-CG 4.36Å; T146-Y172 PolarHBondContact N-O 2.93Å; I170-Y172 HydrophobicContact CB-CE2 4.16Å; I170-Y172 HydrophobicContact CG2-CD2 4.22Å; I170-Y172 HydrophobicContact CG2-CE1 4.33Å; I170-Y172 HydrophobicContact CG2-CE2 3.6Å; Y172-T174 PolarHBondContact O-N 3.23Å; Y172-T174 PolarHBondContact O-OG1 2.96Å; Y172-L191 HydrophobicContact CD1-CD2 4.22Å; Y172-L191 HydrophobicContact CE1-CD2 4.36Å; Y172-L191 HydrophobicContact CE1-CG 4.28Å; Y172-A192 HydrophobicContact CD1-CB 4.47Å; Y172-A192 HydrophobicContact CD2-CB 4.38Å; Y172-A192 HydrophobicContact CE1-CB 3.9Å; Y172-A192 HydrophobicContact CE2-CB 3.8Å; Y172-L201 HydrophobicContact CE2-CD2 4.44Å
173P93.6Very high91.5Very high80 Ų8049.4 Ų49.452%0.51930%0.297SS..EExtended strand (participates in β ladder)trans-68.6118.1-174.827.7-34.2000110.4T146 K148 I171T146-P173 WeakPolarHBondContact O-CA 3.4Å; K148-P173 HydrophobicContact CB-CB 3.95Å; K148-P173 HydrophobicContact CG-CB 4.41Å; I171-P173 WeakPolarHBondContact O-CD 3.41Å
174T93Very high91.8Very high9 Ų950.5 Ų50.56%0.05530%0.304CS..  trans-138.6140-171.6-69.80000110.4I145 T146 S147 Y172 V176 Q184 I185 A188I145-T174 HydrophobicContact CG2-CG2 4.19Å; T146-T174 CarbonylContact C-O 3.52Å; T146-T174 PolarHBondContact O-N 3.31Å; S147-T174 VanDerWaalsContact CA-O 3.25Å; S147-T174 WeakPolarHBondContact CA-O 3.26Å; S147-T174 PolarHBondContact N-O 3.49Å; Y172-T174 PolarHBondContact O-N 3.23Å; Y172-T174 PolarHBondContact O-OG1 2.96Å; T174-V176 PolarHBondContact O-N 3.05Å; T174-Q184 HydrophobicContact CG2-CB 3.74Å; T174-I185 HydrophobicContact CG2-CB 4.25Å; T174-I185 HydrophobicContact CG2-CG1 3.54Å; T174-A188 VanDerWaalsContact OG1-CB 3.23Å; T174-A188 WeakPolarHBondContact OG1-CB 3.42Å
175A92.7Very high92.2Very high33 Ų3350.4 Ų50.427%0.27330%0.303SS..  trans-63123.5167.100000109.4A181A175-A181 HydrophobicContact CB-CB 4.22Å; A175-A181 WeakPolarHBondContact O-CA 3.46Å; A175-A181 WeakPolarHBondContact O-CB 3.37Å
176V89.8Confident92.6Very high8 Ų847.8 Ų47.85%0.04829%0.286CS..  trans-104.45.6-179.6-640000112.8T174 R205 F216T174-V176 PolarHBondContact O-N 3.05Å; V176-R205 HydrophobicContact CB-CB 4.12Å; V176-R205 HydrophobicContact CB-CG 4.15Å; V176-R205 HydrophobicContact CG2-CB 4.16Å; V176-R205 HydrophobicContact CG2-CG 3.7Å; V176-F216 HydrophobicContact CB-CE2 4.31Å; V176-F216 HydrophobicContact CB-CZ 4.06Å; V176-F216 HydrophobicContact CG1-CZ 4.24Å
177Q89.4Confident92.9Very high103 Ų10353 Ų5348%0.48130%0.295SS..SBendtrans-150.5152.3-178.979-173.413.600110.6R205 D212Q177-R205 VanDerWaalsContact OE1-CZ 3.24Å; Q177-D212 PolarHBondContact OE1-OD1 2.9Å
178G87.3Confident93.1Very high44 Ų4452.8 Ų52.845%0.45429%0.294SS..SBendtrans89.8173.2-176.900000113.7D180 A181 S215G178-D180 VanDerWaalsContact C-N 3.3Å; G178-D180 PolarHBondContact O-N 2.94Å; G178-A181 VanDerWaalsContact O-CB 3.31Å; G178-A181 WeakPolarHBondContact O-CB 3.36Å; G178-A181 PolarHBondContact O-N 3.42Å; G178-A181 VanDerWaalsContact O-N 3.17Å; G178-S215 PolarHBondContact O-OG 3.5Å
179D85.7Confident93.2Very high160 Ų16049.5 Ų49.586%0.85627%0.273SS*.THydrogen-bonded Turntrans-66.7-29.2-170.3-63.9-32.2000113.7P182D179-P182 WeakPolarHBondContact O-CD 3.15Å
180D89.9Confident93.3Very high127 Ų12752.1 Ų52.168%0.67928%0.282SS*.THydrogen-bonded Turntrans-81.3-15.3178.2-72.5-35000113.5G178 G183 Q184G178-D180 VanDerWaalsContact C-N 3.3Å; G178-D180 PolarHBondContact O-N 2.94Å; D180-G183 PolarHBondContact O-N 2.95Å; D180-Q184 PolarHBondContact O-N 2.84Å
181A92.4Very high93.4Very high0 Ų054.1 Ų54.10%029%0.293CS..Hα-helixtrans-60.1-46.1-173.800000113.9A175 G178 G183 Q184 I185 S215A175-A181 HydrophobicContact CB-CB 4.22Å; A175-A181 WeakPolarHBondContact O-CA 3.46Å; A175-A181 WeakPolarHBondContact O-CB 3.37Å; G178-A181 VanDerWaalsContact O-CB 3.31Å; G178-A181 WeakPolarHBondContact O-CB 3.36Å; G178-A181 PolarHBondContact O-N 3.42Å; G178-A181 VanDerWaalsContact O-N 3.17Å; A181-G183 VanDerWaalsContact C-N 3.29Å; A181-G183 PolarHBondContact O-N 3.39Å; A181-Q184 PolarHBondContact O-N 2.97Å; A181-Q184 VanDerWaalsContact O-N 3.1Å; A181-I185 VanDerWaalsContact O-CG1 3.29Å; A181-I185 WeakPolarHBondContact O-CG1 3.32Å; A181-I185 PolarHBondContact O-N 3.49Å; A181-S215 WeakPolarHBondContact CB-OG 3.49Å
182P93.2Very high93.4Very high6 Ų650.8 Ų50.84%0.03928%0.276CS..Hα-helixtrans-54.8-43.5177.8-27.836.1000113.4D179 Q184 I185 V186 D218 V221D179-P182 WeakPolarHBondContact O-CD 3.15Å; P182-Q184 VanDerWaalsContact C-N 3.35Å; P182-Q184 PolarHBondContact O-N 3.49Å; P182-I185 PolarHBondContact O-N 3.03Å; P182-V186 VanDerWaalsContact O-CG2 3.27Å; P182-V186 WeakPolarHBondContact O-CG2 3.46Å; P182-V186 PolarHBondContact O-N 3.47Å; P182-D218 HydrophobicContact CB-CB 3.72Å; P182-D218 WeakPolarHBondContact CB-OD2 3.47Å; P182-D218 HydrophobicContact CG-CB 3.82Å; P182-V221 HydrophobicContact CB-CG2 3.86Å
183G94.8Very high93.4Very high24 Ų2451.6 Ų51.625%0.24728%0.28CS..Hα-helixtrans-65.8-37.3179.200000112.6D180 A181 R187D180-G183 PolarHBondContact O-N 2.95Å; A181-G183 VanDerWaalsContact C-N 3.29Å; A181-G183 PolarHBondContact O-N 3.39Å; G183-R187 VanDerWaalsContact O-CG 3.32Å; G183-R187 WeakPolarHBondContact O-CG 3.45Å; G183-R187 PolarHBondContact O-N 3.48Å; G183-R187 VanDerWaalsContact O-N 3.16Å
184Q95.6Very high93.5Very high75 Ų7554.9 Ų54.935%0.3529%0.289SS..Hα-helixtrans-72.2-37.6176.2-63.8-174.424.400112.4T174 D180 A181 P182 R187 A188T174-Q184 HydrophobicContact CG2-CB 3.74Å; D180-Q184 PolarHBondContact O-N 2.84Å; A181-Q184 PolarHBondContact O-N 2.97Å; A181-Q184 VanDerWaalsContact O-N 3.1Å; P182-Q184 VanDerWaalsContact C-N 3.35Å; P182-Q184 PolarHBondContact O-N 3.49Å; Q184-R187 PolarHBondContact O-N 2.91Å; Q184-A188 WeakPolarHBondContact O-CB 3.47Å; Q184-A188 PolarHBondContact O-N 3.38Å
185I95.6Very high93.6Very high1 Ų160.1 Ų60.11%0.00531%0.308CS..Hα-helixtrans-61.1-47.3175.1-65.9165.2000110.4T174 A181 P182 R187 A188 I189 V203 F216 V221T174-I185 HydrophobicContact CG2-CB 4.25Å; T174-I185 HydrophobicContact CG2-CG1 3.54Å; A181-I185 VanDerWaalsContact O-CG1 3.29Å; A181-I185 WeakPolarHBondContact O-CG1 3.32Å; A181-I185 PolarHBondContact O-N 3.49Å; P182-I185 PolarHBondContact O-N 3.03Å; I185-R187 PolarHBondContact O-N 2.99Å; I185-A188 PolarHBondContact O-N 3.43Å; I185-I189 HydrophobicContact CG2-CD1 3.94Å; I185-I189 WeakPolarHBondContact O-CG1 3.41Å; I185-I189 PolarHBondContact O-N 2.92Å; I185-V203 HydrophobicContact CG2-CG1 4.3Å; I185-F216 HydrophobicContact CD1-CD1 4.38Å; I185-F216 HydrophobicContact CD1-CE1 4.01Å; I185-F216 HydrophobicContact CD1-CZ 4.23Å; I185-V221 HydrophobicContact CB-CG2 4.08Å; I185-V221 HydrophobicContact CD1-CG2 4.44Å; I185-V221 HydrophobicContact CG2-CG1 3.8Å; I185-V221 HydrophobicContact CG2-CG2 4.07Å
186V96.7Very high93.6Very high23 Ų2364.2 Ų64.214%0.13933%0.325CS..Hα-helixtrans-57.8-50.8176.5172.20000110.9P182 A188 I189 E190 R220 V221 A224P182-V186 VanDerWaalsContact O-CG2 3.27Å; P182-V186 WeakPolarHBondContact O-CG2 3.46Å; P182-V186 PolarHBondContact O-N 3.47Å; V186-A188 VanDerWaalsContact C-N 3.27Å; V186-A188 PolarHBondContact O-N 2.94Å; V186-I189 PolarHBondContact O-N 3.3Å; V186-E190 HydrophobicContact CG1-CG 4.41Å; V186-E190 WeakPolarHBondContact O-CG 3.27Å; V186-E190 PolarHBondContact O-N 3.08Å; V186-R220 HydrophobicContact CG2-CB 3.98Å; V186-R220 WeakPolarHBondContact CG2-O 3.25Å; V186-V221 HydrophobicContact CG2-CG2 4.19Å; V186-A224 HydrophobicContact CB-CB 4.24Å; V186-A224 HydrophobicContact CG1-CB 4.03Å; V186-A224 HydrophobicContact CG2-CB 3.85Å
187R96.2Very high93.8Very high183 Ų18368 Ų6869%0.69134%0.342SS*.Hα-helixtrans-59.9-36.9178.3-73175.4-173.3171.64.2112.7G183 Q184 I185 L191G183-R187 VanDerWaalsContact O-CG 3.32Å; G183-R187 WeakPolarHBondContact O-CG 3.45Å; G183-R187 PolarHBondContact O-N 3.48Å; G183-R187 VanDerWaalsContact O-N 3.16Å; Q184-R187 PolarHBondContact O-N 2.91Å; I185-R187 PolarHBondContact O-N 2.99Å; R187-L191 WeakPolarHBondContact O-CB 3.36Å; R187-L191 PolarHBondContact O-N 2.84Å
188A96.2Very high94Very high7 Ų763.3 Ų63.36%0.05832%0.321CS..Hα-helixtrans-68.8-40.9178.200000112.1I145 T174 Q184 I185 V186 L191 A192I145-A188 HydrophobicContact CD1-CB 4.03Å; I145-A188 HydrophobicContact CG1-CB 4.29Å; I145-A188 HydrophobicContact CG2-CB 3.71Å; T174-A188 VanDerWaalsContact OG1-CB 3.23Å; T174-A188 WeakPolarHBondContact OG1-CB 3.42Å; Q184-A188 WeakPolarHBondContact O-CB 3.47Å; Q184-A188 PolarHBondContact O-N 3.38Å; I185-A188 PolarHBondContact O-N 3.43Å; V186-A188 VanDerWaalsContact C-N 3.27Å; V186-A188 PolarHBondContact O-N 2.94Å; A188-L191 PolarHBondContact O-N 3.35Å; A188-A192 WeakPolarHBondContact O-CB 3.39Å; A188-A192 PolarHBondContact O-N 3.01Å
189I96.2Very high94.3Very high2 Ų263 Ų631%0.0131%0.309CS..Hα-helixtrans-63.4-46.6174.1-66.6168000109.9I145 I185 V186 A192 N193 V203 A224 I225I145-I189 HydrophobicContact CD1-CB 4.27Å; I145-I189 HydrophobicContact CD1-CG1 3.49Å; I145-I189 VanDerWaalsContact CD1-CG1 3.49Å; I185-I189 HydrophobicContact CG2-CD1 3.94Å; I185-I189 WeakPolarHBondContact O-CG1 3.41Å; I185-I189 PolarHBondContact O-N 2.92Å; V186-I189 PolarHBondContact O-N 3.3Å; I189-A192 PolarHBondContact O-N 3.21Å; I189-N193 WeakPolarHBondContact CG2-ND2 3.45Å; I189-N193 WeakPolarHBondContact O-CB 3.47Å; I189-N193 PolarHBondContact O-N 2.86Å; I189-N193 PolarHBondContact O-ND2 3.08Å; I189-V203 HydrophobicContact CD1-CG2 4.4Å; I189-V203 HydrophobicContact CG1-CG2 4.38Å; I189-A224 HydrophobicContact CD1-CB 4.17Å; I189-I225 HydrophobicContact CD1-CG1 3.72Å
190E96.3Very high94.8Very high97 Ų9755.4 Ų55.445%0.45327%0.268SS..Hα-helixtrans-61-46.3177.5-71.9173.4167.600111.7V186 A192 N193 Q194V186-E190 HydrophobicContact CG1-CG 4.41Å; V186-E190 WeakPolarHBondContact O-CG 3.27Å; V186-E190 PolarHBondContact O-N 3.08Å; E190-A192 PolarHBondContact O-N 2.96Å; E190-N193 PolarHBondContact O-N 3.06Å; E190-Q194 WeakPolarHBondContact O-CB 3.33Å; E190-Q194 VanDerWaalsContact O-CG 3.27Å; E190-Q194 WeakPolarHBondContact O-CG 3.25Å; E190-Q194 PolarHBondContact O-N 3.43Å
191L96.1Very high95.2Very high77 Ų7749.4 Ų49.440%0.40324%0.236SC..Hα-helixtrans-61-43.3177.6-179.663.5000111.6Y172 R187 A188 N193 Q194 R195Y172-L191 HydrophobicContact CD1-CD2 4.22Å; Y172-L191 HydrophobicContact CE1-CD2 4.36Å; Y172-L191 HydrophobicContact CE1-CG 4.28Å; R187-L191 WeakPolarHBondContact O-CB 3.36Å; R187-L191 PolarHBondContact O-N 2.84Å; A188-L191 PolarHBondContact O-N 3.35Å; L191-N193 VanDerWaalsContact C-N 3.34Å; L191-N193 PolarHBondContact O-N 3.31Å; L191-Q194 PolarHBondContact O-N 3.3Å; L191-R195 HydrophobicContact CD1-CG 4.23Å; L191-R195 WeakPolarHBondContact O-CB 3.33Å; L191-R195 WeakPolarHBondContact O-CG 3.25Å; L191-R195 PolarHBondContact O-N 3.1Å
192A96.1Very high95.3Very high0 Ų049.4 Ų49.40%024%0.236CC..Hα-helixtrans-62.9-42177.100000111.9Y172 A188 I189 E190 R195 N196 L201 I230Y172-A192 HydrophobicContact CD1-CB 4.47Å; Y172-A192 HydrophobicContact CD2-CB 4.38Å; Y172-A192 HydrophobicContact CE1-CB 3.9Å; Y172-A192 HydrophobicContact CE2-CB 3.8Å; A188-A192 WeakPolarHBondContact O-CB 3.39Å; A188-A192 PolarHBondContact O-N 3.01Å; I189-A192 PolarHBondContact O-N 3.21Å; E190-A192 PolarHBondContact O-N 2.96Å; A192-R195 PolarHBondContact O-N 3.14Å; A192-N196 PolarHBondContact O-N 2.94Å; A192-L201 HydrophobicContact CB-CD1 3.92Å; A192-L201 HydrophobicContact CB-CD2 3.84Å; A192-I230 WeakPolarHBondContact O-CD1 3.48Å
193N95.6Very high95.5Very high24 Ų2449.1 Ų49.113%0.12823%0.234CC..Hα-helixtrans-65.6-36.4174.9-80.8-72.1000113I189 E190 L191 S228 R229 I230I189-N193 WeakPolarHBondContact CG2-ND2 3.45Å; I189-N193 WeakPolarHBondContact O-CB 3.47Å; I189-N193 PolarHBondContact O-N 2.86Å; I189-N193 PolarHBondContact O-ND2 3.08Å; E190-N193 PolarHBondContact O-N 3.06Å; L191-N193 VanDerWaalsContact C-N 3.34Å; L191-N193 PolarHBondContact O-N 3.31Å; N193-S228 PolarHBondContact ND2-OG 3.41Å; N193-S228 PolarHBondContact OD1-OG 3.02Å; N193-R229 WeakPolarHBondContact OD1-CA 3.47Å; N193-R229 WeakPolarHBondContact OD1-CB 3.39Å; N193-R229 PolarHBondContact OD1-N 3.35Å; N193-I230 PolarHBondContact OD1-N 3.31Å; N193-I230 VanDerWaalsContact OD1-N 3.12Å
194Q95.2Very high95.3Very high150 Ų15048 Ų4870%0.70122%0.223SC*.Hα-helixtrans-68.2-42.7175.7-74.41721400111.8E190 L191E190-Q194 WeakPolarHBondContact O-CB 3.33Å; E190-Q194 VanDerWaalsContact O-CG 3.27Å; E190-Q194 WeakPolarHBondContact O-CG 3.25Å; E190-Q194 PolarHBondContact O-N 3.43Å; L191-Q194 PolarHBondContact O-N 3.3Å
195R94.9Very high95Very high118 Ų11845.4 Ų45.445%0.44521%0.21SC..Hα-helixtrans-70.2-34.7178.7-70.6178.871.5167.8-3.1112.2L191 A192 E197L191-R195 HydrophobicContact CD1-CG 4.23Å; L191-R195 WeakPolarHBondContact O-CB 3.33Å; L191-R195 WeakPolarHBondContact O-CG 3.25Å; L191-R195 PolarHBondContact O-N 3.1Å; A192-R195 PolarHBondContact O-N 3.14Å; R195-E197 HydrophobicContact CB-CG 4.12Å; R195-E197 IonicContact CZ-OE1 3.39Å; R195-E197 IonicContact CZ-OE2 3.77Å; R195-E197 IonicContact NE-OE1 3.79Å; R195-E197 PolarHBondContact NE-OE1 3.29Å; R195-E197 IonicContact NE-OE2 2.92Å; R195-E197 PolarHBondContact NE-OE2 3.29Å; R195-E197 VanDerWaalsContact NH2-CD 3.31Å; R195-E197 IonicContact NH2-OE1 2.74Å; R195-E197 PolarHBondContact NH2-OE1 2.92Å; R195-E197 IonicContact NH2-OE2 3.69Å; R195-E197 PolarHBondContact NH2-OE2 3.42Å; R195-E197 PolarHBondContact O-N 3.42Å
196N92.9Very high94.5Very high119 Ų11946.3 Ų46.364%0.63622%0.219SC*.THydrogen-bonded Turntrans52.737178.6-164.648.5000113.3A192A192-N196 PolarHBondContact O-N 2.94Å
197E93.1Very high93.5Very high87 Ų8747.1 Ų47.141%0.40723%0.232SC..  trans-94.4-18.6-178.7-68.8168.9-154.400112.5C141 I170 R195C141-E197 WeakPolarHBondContact CB-O 3.39Å; C141-E197 PolarHBondContact SG-O 3.49Å; C141-E197 VanDerWaalsContact SG-O 3.33Å; I170-E197 HydrophobicContact CD1-CB 3.53Å; I170-E197 HydrophobicContact CD1-CG 4.43Å; I170-E197 WeakPolarHBondContact CD1-OE2 3.5Å; R195-E197 HydrophobicContact CB-CG 4.12Å; R195-E197 IonicContact CZ-OE1 3.39Å; R195-E197 IonicContact CZ-OE2 3.77Å; R195-E197 IonicContact NE-OE1 3.79Å; R195-E197 PolarHBondContact NE-OE1 3.29Å; R195-E197 IonicContact NE-OE2 2.92Å; R195-E197 PolarHBondContact NE-OE2 3.29Å; R195-E197 VanDerWaalsContact NH2-CD 3.31Å; R195-E197 IonicContact NH2-OE1 2.74Å; R195-E197 PolarHBondContact NH2-OE1 2.92Å; R195-E197 IonicContact NH2-OE2 3.69Å; R195-E197 PolarHBondContact NH2-OE2 3.42Å; R195-E197 PolarHBondContact O-N 3.42Å
198C94.4Very high92.5Very high6 Ų640.1 Ų40.14%0.04122%0.217CC..  trans-111.6144.8-176.7-48.60000110.3C141 G143 L201 I230C141-C198 CarbonylContact O-C 3.58Å; C141-C198 VanDerWaalsContact O-CA 3.22Å; C141-C198 WeakPolarHBondContact O-CA 3.43Å; C141-C198 WeakPolarHBondContact O-CB 3.29Å; G143-C198 VanDerWaalsContact CA-SG 3.52Å; C198-L201 HydrophobicContact CB-CD2 4.23Å; C198-I230 WeakPolarHBondContact O-CD1 3.39Å
199D93.6Very high91.6Very high38 Ų3842.6 Ų42.620%0.20323%0.234CC..SBendtrans-98.8-11.4174.456.2-17.4000113.3P136 A139 H140 C141 P231P136-D199 HydrophobicContact CG-CB 4.13Å; A139-D199 WeakPolarHBondContact CA-OD2 3.4Å; H140-D199 IonicContact CG-OD2 3.27Å; H140-D199 VanDerWaalsContact N-CG 3.31Å; H140-D199 PolarHBondContact N-OD1 3.34Å; H140-D199 VanDerWaalsContact N-OD1 3.14Å; H140-D199 PolarHBondContact N-OD2 3.4Å; H140-D199 IonicContact ND1-OD2 2.59Å; H140-D199 PolarHBondContact ND1-OD2 3.33Å; C141-D199 VanDerWaalsContact C-OD1 3.29Å; C141-D199 PolarHBondContact N-OD1 2.92Å; C141-D199 PolarHBondContact O-N 3.25Å; D199-P231 WeakPolarHBondContact O-CD 3.33Å
200V96.3Very high90.7Very high0 Ų046.7 Ų46.70%026%0.255CS..EExtended strand (participates in β ladder)trans-146.6145.5169.363.80000110.8L135 P136 A139 V142 G143 V233 V263L135-V200 HydrophobicContact CD2-CG2 3.68Å; P136-V200 HydrophobicContact CG-CB 4.08Å; P136-V200 HydrophobicContact CG-CG1 4.49Å; A139-V200 HydrophobicContact CB-CG1 3.77Å; V142-V200 HydrophobicContact CB-CG1 4.33Å; V142-V200 HydrophobicContact CG1-CG1 4.31Å; V142-V200 HydrophobicContact CG2-CG1 3.75Å; G143-V200 PolarHBondContact N-O 3.34Å; V200-V233 HydrophobicContact CG2-CG2 3.83Å; V200-V263 HydrophobicContact CG1-CB 4.05Å; V200-V263 HydrophobicContact CG1-CG1 3.83Å; V200-V263 HydrophobicContact CG2-CG1 3.89Å
201L97Very high89.9Confident0 Ų048.4 Ų48.40%026%0.263CS..EExtended strand (participates in β ladder)trans-109.4135.1173.7-65.2-178.7000110.9G143 I145 Y172 A192 C198 I230 P231 V232 V233G143-L201 CarbonylContact O-C 3.32Å; G143-L201 WeakPolarHBondContact O-CA 3.39Å; I145-L201 HydrophobicContact CD1-CD1 4.24Å; Y172-L201 HydrophobicContact CE2-CD2 4.44Å; A192-L201 HydrophobicContact CB-CD1 3.92Å; A192-L201 HydrophobicContact CB-CD2 3.84Å; C198-L201 HydrophobicContact CB-CD2 4.23Å; L201-I230 HydrophobicContact CD1-CB 4.29Å; L201-I230 HydrophobicContact CD1-CG2 4.48Å; L201-I230 HydrophobicContact CG-CB 4.19Å; L201-I230 HydrophobicContact CG-CG2 3.84Å; L201-P231 PolarHBondContact N-O 2.89Å; L201-V232 HydrophobicContact CB-CG2 4.31Å; L201-V232 HydrophobicContact CD1-CG2 4.44Å; L201-V232 CarbonylContact O-C 3.57Å; L201-V232 WeakPolarHBondContact O-CA 3.5Å; L201-V233 PolarHBondContact O-N 3.47Å
202I96.3Very high89.3Confident1 Ų147 Ų471%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-103.6115.4164.9-60.2176.8000107.3V142 G143 I145 I156 V233 A235 A259 V263V142-I202 HydrophobicContact CG1-CD1 3.84Å; V142-I202 HydrophobicContact CG1-CG1 3.98Å; G143-I202 PolarHBondContact O-N 3.42Å; I145-I202 PolarHBondContact N-O 2.87Å; I156-I202 HydrophobicContact CD1-CG2 3.88Å; I156-I202 HydrophobicContact CG2-CD1 4.38Å; I202-V233 WeakPolarHBondContact CA-O 3.28Å; I202-V233 HydrophobicContact CG1-CB 4.42Å; I202-A235 HydrophobicContact CG2-CB 4Å; I202-A259 HydrophobicContact CD1-CB 4.06Å; I202-A259 HydrophobicContact CG1-CB 4.34Å; I202-A259 HydrophobicContact CG2-CB 3.87Å; I202-V263 HydrophobicContact CD1-CG1 4.41Å; I202-V263 HydrophobicContact CD1-CG2 3.9Å; I202-V263 HydrophobicContact CG1-CG1 4.44Å
203V95.5Very high88.8Confident0 Ų047.3 Ų47.30%026%0.258CS..EExtended strand (participates in β ladder)trans-106.5114.6173.4176.50000106.9I145 I185 I189 F216 V232 V233 S234 A235I145-V203 HydrophobicContact CB-CG2 4.12Å; I145-V203 HydrophobicContact CD1-CG2 3.97Å; I145-V203 HydrophobicContact CG1-CG2 4.36Å; I185-V203 HydrophobicContact CG2-CG1 4.3Å; I189-V203 HydrophobicContact CD1-CG2 4.4Å; I189-V203 HydrophobicContact CG1-CG2 4.38Å; V203-F216 HydrophobicContact CG1-CD1 4.31Å; V203-F216 HydrophobicContact CG1-CE1 3.83Å; V203-V232 HydrophobicContact CB-CG1 4.1Å; V203-V232 HydrophobicContact CG2-CG1 3.62Å; V203-V233 PolarHBondContact N-O 2.8Å; V203-S234 WeakPolarHBondContact O-CA 3.27Å; V203-A235 PolarHBondContact O-N 3.26Å
204G91.3Very high88.4Confident0 Ų049 Ų490%026%0.263CS..EExtended strand (participates in β ladder)trans-164.7159.9-170.800000115.9I145 T146 A235I145-G204 PolarHBondContact O-N 3.09Å; T146-G204 WeakPolarHBondContact CB-O 3.28Å; T146-G204 PolarHBondContact OG1-O 2.95Å; G204-A235 WeakPolarHBondContact CA-O 3.27Å
205R90.1Very high88.2Confident21 Ų2142.1 Ų42.18%0.07923%0.231CC..EExtended strand (participates in β ladder)trans-140.8151.1175-178.6-169.5154.8146.414.3107.3V176 Q177 D212 F216 A235 G237V176-R205 HydrophobicContact CB-CB 4.12Å; V176-R205 HydrophobicContact CB-CG 4.15Å; V176-R205 HydrophobicContact CG2-CB 4.16Å; V176-R205 HydrophobicContact CG2-CG 3.7Å; Q177-R205 VanDerWaalsContact OE1-CZ 3.24Å; R205-D212 VanDerWaalsContact CZ-CG 3.45Å; R205-D212 IonicContact CZ-OD1 2.77Å; R205-D212 IonicContact CZ-OD2 3.23Å; R205-D212 PolarHBondContact NH1-O 3.18Å; R205-D212 IonicContact NH1-OD1 3.47Å; R205-D212 PolarHBondContact NH1-OD1 3.47Å; R205-D212 IonicContact NH1-OD2 2.96Å; R205-D212 VanDerWaalsContact NH2-CB 3.32Å; R205-D212 IonicContact NH2-OD1 2.82Å; R205-D212 PolarHBondContact NH2-OD1 2.88Å; R205-D212 IonicContact NH2-OD2 2.83Å; R205-D212 PolarHBondContact NH2-OD2 2.87Å; R205-F216 HydrophobicContact CB-CE2 3.6Å; R205-F216 HydrophobicContact CB-CZ 3.73Å; R205-F216 HydrophobicContact CG-CE2 4.43Å; R205-A235 PolarHBondContact N-O 3.19Å; R205-A235 VanDerWaalsContact N-O 3.14Å; R205-A235 VanDerWaalsContact O-O 3.09Å; R205-G237 PolarHBondContact O-N 3.06Å
206G84Confident88.1Confident20 Ų2036.6 Ų36.621%0.20621%0.21CC..  trans-66.1-169.716800000111.7
207G76Confident88.1Confident39 Ų3931.2 Ų31.240%0.40218%0.182SC..  trans-58.1165.2172.900000113.7
208G76Confident88.1Confident37 Ų3728.7 Ų28.738%0.38117%0.171SC..  trans179.8176.2177.800000111.3
209S77.4Confident88.1Confident59 Ų5931 Ų3141%0.41318%0.181SC..  trans-65.6169.7167.968.50000111.3E211 D212 L213S209-E211 PolarHBondContact O-N 3.33Å; S209-D212 PolarHBondContact N-OD2 3.37Å; S209-D212 WeakPolarHBondContact O-CB 3.38Å; S209-D212 PolarHBondContact O-N 3.04Å; S209-D212 WeakPolarHBondContact OG-CB 3.46Å; S209-D212 PolarHBondContact OG-N 2.81Å; S209-L213 WeakPolarHBondContact O-CG 3.31Å; S209-L213 PolarHBondContact O-N 3.35Å; S209-L213 VanDerWaalsContact O-N 3.12Å
210L76Confident88.2Confident87 Ų8735.7 Ų35.746%0.45520%0.196SC..Hα-helixtrans-60.6-37.2175.5-171.471.3000112D212 L213 W214L210-D212 VanDerWaalsContact C-N 3.29Å; L210-D212 PolarHBondContact O-N 2.96Å; L210-L213 PolarHBondContact O-N 3.45Å; L210-W214 PolarHBondContact O-N 3.46Å; L210-W214 VanDerWaalsContact O-N 3.1Å
211E80.1Confident88.1Confident133 Ų13335.7 Ų35.762%0.62120%0.196SC*.Hα-helixtrans-62.9-39.6176.5-62.4-179.3166.800111.6L110 S209 W214L110-E211 HydrophobicContact CD1-CG 4.19Å; S209-E211 PolarHBondContact O-N 3.33Å; E211-W214 WeakPolarHBondContact O-CB 2.91Å; E211-W214 PolarHBondContact O-N 2.98Å
212D83.2Confident88.1Confident48 Ų4835.7 Ų35.726%0.25720%0.196SC..Hα-helixtrans-63.6-40.8177.8-102-24.6000112.5Q177 R205 S209 L210 W214Q177-D212 PolarHBondContact OE1-OD1 2.9Å; R205-D212 VanDerWaalsContact CZ-CG 3.45Å; R205-D212 IonicContact CZ-OD1 2.77Å; R205-D212 IonicContact CZ-OD2 3.23Å; R205-D212 PolarHBondContact NH1-O 3.18Å; R205-D212 IonicContact NH1-OD1 3.47Å; R205-D212 PolarHBondContact NH1-OD1 3.47Å; R205-D212 IonicContact NH1-OD2 2.96Å; R205-D212 VanDerWaalsContact NH2-CB 3.32Å; R205-D212 IonicContact NH2-OD1 2.82Å; R205-D212 PolarHBondContact NH2-OD1 2.88Å; R205-D212 IonicContact NH2-OD2 2.83Å; R205-D212 PolarHBondContact NH2-OD2 2.87Å; S209-D212 PolarHBondContact N-OD2 3.37Å; S209-D212 WeakPolarHBondContact O-CB 3.38Å; S209-D212 PolarHBondContact O-N 3.04Å; S209-D212 WeakPolarHBondContact OG-CB 3.46Å; S209-D212 PolarHBondContact OG-N 2.81Å; L210-D212 VanDerWaalsContact C-N 3.29Å; L210-D212 PolarHBondContact O-N 2.96Å; D212-W214 VanDerWaalsContact C-N 3.28Å
213L85.5Confident88Confident7 Ų740.1 Ų40.14%0.03721%0.213CC..Hα-helixtrans-83.7-6.8179.3-58171.7000112.4S209 L210 S215 F216 V236 D241S209-L213 WeakPolarHBondContact O-CG 3.31Å; S209-L213 PolarHBondContact O-N 3.35Å; S209-L213 VanDerWaalsContact O-N 3.12Å; L210-L213 PolarHBondContact O-N 3.45Å; L213-S215 PolarHBondContact O-N 2.87Å; L213-S215 VanDerWaalsContact O-N 3.17Å; L213-F216 PolarHBondContact O-N 3Å; L213-F216 VanDerWaalsContact O-N 3.09Å; L213-V236 HydrophobicContact CD2-CG1 3.67Å; L213-D241 HydrophobicContact CD1-CB 3.9Å
214W88.2Confident88Confident59 Ų5940.8 Ų40.822%0.22322%0.218CC..G310 helixtrans-61.5-28.5-173.3-167-102.6000113.6L110 K113 L210 E211 D212 F216 N217L110-W214 HydrophobicContact CB-CE3 4.01Å; L110-W214 HydrophobicContact CB-CH2 3.98Å; L110-W214 HydrophobicContact CB-CZ2 4.48Å; L110-W214 HydrophobicContact CB-CZ3 3.69Å; L110-W214 HydrophobicContact CD2-CD2 3.6Å; L110-W214 VanDerWaalsContact CD2-CE2 3.46Å; L110-W214 HydrophobicContact CD2-CE3 3.92Å; L110-W214 HydrophobicContact CD2-CG 4.15Å; L110-W214 HydrophobicContact CD2-CH2 4.08Å; L110-W214 HydrophobicContact CD2-CZ2 3.72Å; L110-W214 HydrophobicContact CD2-CZ3 4.15Å; L110-W214 HydrophobicContact CG-CD2 4.49Å; L110-W214 HydrophobicContact CG-CE3 4.37Å; L110-W214 HydrophobicContact CG-CZ3 4.45Å; L110-W214 WeakPolarHBondContact O-CH2 3.43Å; L110-W214 WeakPolarHBondContact O-CZ3 3.33Å; K113-W214 HydrophobicContact CB-CH2 4.02Å; K113-W214 HydrophobicContact CB-CZ2 3.94Å; L210-W214 PolarHBondContact O-N 3.46Å; L210-W214 VanDerWaalsContact O-N 3.1Å; E211-W214 WeakPolarHBondContact O-CB 2.91Å; E211-W214 PolarHBondContact O-N 2.98Å; D212-W214 VanDerWaalsContact C-N 3.28Å; W214-F216 PolarHBondContact O-N 3.3Å; W214-F216 VanDerWaalsContact O-N 3.09Å; W214-N217 HydrophobicContact CD2-CB 4.24Å; W214-N217 HydrophobicContact CE3-CB 4.19Å; W214-N217 HydrophobicContact CH2-CB 4.4Å; W214-N217 HydrophobicContact CZ3-CB 4.27Å; W214-N217 WeakPolarHBondContact O-CA 3.37Å; W214-N217 WeakPolarHBondContact O-CB 3.44Å; W214-N217 PolarHBondContact O-N 3.4Å
215S91.1Very high88.2Confident6 Ų640.9 Ų40.94%0.04222%0.218CC..G310 helixtrans-58.3-24.9177.3-49.50000113.2G178 A181 L213G178-S215 PolarHBondContact O-OG 3.5Å; A181-S215 WeakPolarHBondContact CB-OG 3.49Å; L213-S215 PolarHBondContact O-N 2.87Å; L213-S215 VanDerWaalsContact O-N 3.17Å
216F92.8Very high88.5Confident1 Ų143.6 Ų43.60%0.00423%0.231CC..G310 helixtrans-87.8-5.1176-60.7-84.7000113.5V176 I185 V203 R205 L213 W214 V236 T243 A245V176-F216 HydrophobicContact CB-CE2 4.31Å; V176-F216 HydrophobicContact CB-CZ 4.06Å; V176-F216 HydrophobicContact CG1-CZ 4.24Å; I185-F216 HydrophobicContact CD1-CD1 4.38Å; I185-F216 HydrophobicContact CD1-CE1 4.01Å; I185-F216 HydrophobicContact CD1-CZ 4.23Å; V203-F216 HydrophobicContact CG1-CD1 4.31Å; V203-F216 HydrophobicContact CG1-CE1 3.83Å; R205-F216 HydrophobicContact CB-CE2 3.6Å; R205-F216 HydrophobicContact CB-CZ 3.73Å; R205-F216 HydrophobicContact CG-CE2 4.43Å; L213-F216 PolarHBondContact O-N 3Å; L213-F216 VanDerWaalsContact O-N 3.09Å; W214-F216 PolarHBondContact O-N 3.3Å; W214-F216 VanDerWaalsContact O-N 3.09Å; F216-V236 HydrophobicContact CB-CG1 4.36Å; F216-V236 HydrophobicContact CB-CG2 4.3Å; F216-V236 HydrophobicContact CD1-CG2 3.5Å; F216-V236 VanDerWaalsContact CD1-CG2 3.5Å; F216-V236 HydrophobicContact CD2-CG1 3.7Å; F216-V236 HydrophobicContact CD2-CG2 4.06Å; F216-V236 HydrophobicContact CE1-CG2 3.73Å; F216-V236 HydrophobicContact CE2-CG1 4.13Å; F216-V236 HydrophobicContact CE2-CG2 4.27Å; F216-V236 HydrophobicContact CG-CB 4.5Å; F216-V236 HydrophobicContact CG-CG1 3.97Å; F216-V236 HydrophobicContact CG-CG2 3.68Å; F216-V236 HydrophobicContact CZ-CG2 4.11Å; F216-T243 HydrophobicContact CB-CG2 4.06Å; F216-A245 HydrophobicContact CB-CB 4Å; F216-A245 HydrophobicContact CD1-CB 4.3Å; F216-A245 WeakPolarHBondContact O-CB 3.09Å; F216-A245 PolarHBondContact O-N 2.89Å; F216-A245 VanDerWaalsContact O-N 3.09Å
217N92.2Very high89Confident7 Ų746.2 Ų46.24%0.03725%0.251CS..G310 helixtrans-98.511.9171.5-64.5-35.3000112.5Y114 L117 W214 T243 I244Y114-N217 HydrophobicContact CD2-CB 4.36Å; L117-N217 WeakPolarHBondContact CD2-O 3.38Å; W214-N217 HydrophobicContact CD2-CB 4.24Å; W214-N217 HydrophobicContact CE3-CB 4.19Å; W214-N217 HydrophobicContact CH2-CB 4.4Å; W214-N217 HydrophobicContact CZ3-CB 4.27Å; W214-N217 WeakPolarHBondContact O-CA 3.37Å; W214-N217 WeakPolarHBondContact O-CB 3.44Å; W214-N217 PolarHBondContact O-N 3.4Å; N217-T243 VanDerWaalsContact OD1-CA 3.25Å; N217-T243 WeakPolarHBondContact OD1-CA 3.44Å; N217-T243 WeakPolarHBondContact OD1-CB 3.47Å; N217-I244 HydrophobicContact CB-CD1 4.16Å; N217-I244 HydrophobicContact CB-CG1 4.38Å; N217-I244 PolarHBondContact OD1-N 2.97Å
218D93.2Very high90Very high33 Ų3344.5 Ų44.518%0.17623%0.232CC..  trans-81.5134.3176.5-167.8-68.7000111.2P182 R220 V221 A222P182-D218 HydrophobicContact CB-CB 3.72Å; P182-D218 WeakPolarHBondContact CB-OD2 3.47Å; P182-D218 HydrophobicContact CG-CB 3.82Å; D218-R220 PolarHBondContact O-N 3.37Å; D218-R220 WeakPolarHBondContact OD1-CB 3.36Å; D218-R220 WeakPolarHBondContact OD1-CG 3.28Å; D218-R220 IonicContact OD1-CZ 3.12Å; D218-R220 PolarHBondContact OD1-N 2.89Å; D218-R220 IonicContact OD1-NE 3.32Å; D218-R220 PolarHBondContact OD1-NE 2.95Å; D218-R220 IonicContact OD1-NH2 3.04Å; D218-R220 IonicContact OD2-CZ 2.77Å; D218-R220 IonicContact OD2-NE 2.71Å; D218-R220 PolarHBondContact OD2-NE 3.47Å; D218-R220 IonicContact OD2-NH2 3.41Å; D218-R220 PolarHBondContact OD2-NH2 3.37Å; D218-V221 HydrophobicContact CB-CB 4.47Å; D218-V221 HydrophobicContact CB-CG2 4.18Å; D218-V221 PolarHBondContact O-N 3.46Å; D218-V221 VanDerWaalsContact O-N 3.14Å; D218-A222 PolarHBondContact O-N 3.37Å; D218-A222 VanDerWaalsContact O-N 3.07Å
219E94.4Very high90.8Very high55 Ų5552.3 Ų52.326%0.25725%0.25SS..Hα-helixtrans-58.1-34.6179.7-174.5171.9164.800112.4L117 K120 L121 A222 R223L117-E219 HydrophobicContact CD1-CB 3.86Å; L117-E219 HydrophobicContact CD1-CG 3.97Å; L117-E219 HydrophobicContact CD2-CB 4.1Å; K120-E219 IonicContact NZ-OE1 3.18Å; K120-E219 PolarHBondContact NZ-OE1 2.87Å; K120-E219 IonicContact NZ-OE2 2.99Å; K120-E219 PolarHBondContact NZ-OE2 3.29Å; L121-E219 HydrophobicContact CD2-CG 4.32Å; E219-A222 PolarHBondContact O-N 2.67Å; E219-R223 HydrophobicContact CG-CG 4.48Å; E219-R223 WeakPolarHBondContact O-CG 3.41Å; E219-R223 PolarHBondContact O-N 3.03Å; E219-R223 IonicContact OE1-CZ 3.87Å; E219-R223 VanDerWaalsContact OE1-CZ 3.28Å; E219-R223 IonicContact OE1-NE 2.7Å; E219-R223 PolarHBondContact OE1-NE 2.9Å; E219-R223 IonicContact OE1-NH2 3.89Å; E219-R223 PolarHBondContact OE1-NH2 3.47Å
220R95Very high91.7Very high136 Ų13649.9 Ų49.951%0.51323%0.233SC..Hα-helixtrans-66.8-40.2179.7-59.4170-71.6179.2-2.9111.1V186 D218 R223 A224V186-R220 HydrophobicContact CG2-CB 3.98Å; V186-R220 WeakPolarHBondContact CG2-O 3.25Å; D218-R220 PolarHBondContact O-N 3.37Å; D218-R220 WeakPolarHBondContact OD1-CB 3.36Å; D218-R220 WeakPolarHBondContact OD1-CG 3.28Å; D218-R220 IonicContact OD1-CZ 3.12Å; D218-R220 PolarHBondContact OD1-N 2.89Å; D218-R220 IonicContact OD1-NE 3.32Å; D218-R220 PolarHBondContact OD1-NE 2.95Å; D218-R220 IonicContact OD1-NH2 3.04Å; D218-R220 IonicContact OD2-CZ 2.77Å; D218-R220 IonicContact OD2-NE 2.71Å; D218-R220 PolarHBondContact OD2-NE 3.47Å; D218-R220 IonicContact OD2-NH2 3.41Å; D218-R220 PolarHBondContact OD2-NH2 3.37Å; R220-R223 PolarHBondContact O-N 3.46Å; R220-A224 WeakPolarHBondContact O-CB 3.47Å; R220-A224 PolarHBondContact O-N 3.23Å
221V95.6Very high92.7Very high0 Ų046.6 Ų46.60%022%0.216CC..Hα-helixtrans-66.5-46.4176.7174.80000110.1P182 I185 V186 D218 R223 A224 I225P182-V221 HydrophobicContact CB-CG2 3.86Å; I185-V221 HydrophobicContact CB-CG2 4.08Å; I185-V221 HydrophobicContact CD1-CG2 4.44Å; I185-V221 HydrophobicContact CG2-CG1 3.8Å; I185-V221 HydrophobicContact CG2-CG2 4.07Å; V186-V221 HydrophobicContact CG2-CG2 4.19Å; D218-V221 HydrophobicContact CB-CB 4.47Å; D218-V221 HydrophobicContact CB-CG2 4.18Å; D218-V221 PolarHBondContact O-N 3.46Å; D218-V221 VanDerWaalsContact O-N 3.14Å; V221-R223 PolarHBondContact O-N 3.02Å; V221-A224 PolarHBondContact O-N 2.91Å; V221-I225 HydrophobicContact CG1-CD1 3.88Å; V221-I225 HydrophobicContact CG1-CG1 4.39Å; V221-I225 WeakPolarHBondContact O-CG1 3.37Å; V221-I225 PolarHBondContact O-N 3.4Å
222A95.3Very high93.5Very high0 Ų040.2 Ų40.20%019%0.187CC..Hα-helixtrans-54-51.217500000111.6L121 D218 E219 A224 I225 F226 I244 V248L121-A222 HydrophobicContact CD1-CB 3.71Å; D218-A222 PolarHBondContact O-N 3.37Å; D218-A222 VanDerWaalsContact O-N 3.07Å; E219-A222 PolarHBondContact O-N 2.67Å; A222-A224 VanDerWaalsContact C-N 3.35Å; A222-A224 PolarHBondContact O-N 3.03Å; A222-I225 PolarHBondContact O-N 2.95Å; A222-F226 PolarHBondContact O-N 2.93Å; A222-I244 HydrophobicContact CB-CG2 3.81Å; A222-V248 HydrophobicContact CB-CG2 4.01Å; A222-V248 WeakPolarHBondContact O-CG1 3.43Å
223R95Very high94.1Very high95 Ų9538 Ų3836%0.35818%0.175SC..Hα-helixtrans-64.5-36.7178.7-69.2-175.5-174.3-71.9-2.1112.9E124 L126 E219 R220 V221 F226 A227E124-R223 VanDerWaalsContact CD-NH2 3.32Å; E124-R223 IonicContact OE1-NH2 2.98Å; E124-R223 PolarHBondContact OE1-NH2 3.16Å; E124-R223 IonicContact OE2-CZ 3.24Å; E124-R223 VanDerWaalsContact OE2-CZ 3.23Å; E124-R223 IonicContact OE2-NH1 3.34Å; E124-R223 PolarHBondContact OE2-NH1 3.23Å; E124-R223 IonicContact OE2-NH2 3.77Å; E124-R223 PolarHBondContact OE2-NH2 3.34Å; L126-R223 HydrophobicContact CD2-CG 4.39Å; E219-R223 HydrophobicContact CG-CG 4.48Å; E219-R223 WeakPolarHBondContact O-CG 3.41Å; E219-R223 PolarHBondContact O-N 3.03Å; E219-R223 IonicContact OE1-CZ 3.87Å; E219-R223 VanDerWaalsContact OE1-CZ 3.28Å; E219-R223 IonicContact OE1-NE 2.7Å; E219-R223 PolarHBondContact OE1-NE 2.9Å; E219-R223 IonicContact OE1-NH2 3.89Å; E219-R223 PolarHBondContact OE1-NH2 3.47Å; R220-R223 PolarHBondContact O-N 3.46Å; V221-R223 PolarHBondContact O-N 3.02Å; R223-F226 PolarHBondContact O-N 3.14Å; R223-A227 VanDerWaalsContact O-CB 3.25Å; R223-A227 WeakPolarHBondContact O-CB 3.37Å; R223-A227 PolarHBondContact O-N 3Å
224A96Very high94.6Very high13 Ų1337.6 Ų37.611%0.10717%0.173CC..Hα-helixtrans-67-39.4176.500000112.8V186 I189 R220 V221 A222 A227 S228V186-A224 HydrophobicContact CB-CB 4.24Å; V186-A224 HydrophobicContact CG1-CB 4.03Å; V186-A224 HydrophobicContact CG2-CB 3.85Å; I189-A224 HydrophobicContact CD1-CB 4.17Å; R220-A224 WeakPolarHBondContact O-CB 3.47Å; R220-A224 PolarHBondContact O-N 3.23Å; V221-A224 PolarHBondContact O-N 2.91Å; A222-A224 VanDerWaalsContact C-N 3.35Å; A222-A224 PolarHBondContact O-N 3.03Å; A224-A227 PolarHBondContact O-N 3.02Å; A224-S228 PolarHBondContact O-N 3.5Å
225I96.2Very high94.8Very high3 Ų334.8 Ų34.82%0.01516%0.162CC..Hα-helixtrans-62.4-49.2174-68.3171.8000109.8I189 V221 A222 A227 S228 V232 A245 V248 A249I189-I225 HydrophobicContact CD1-CG1 3.72Å; V221-I225 HydrophobicContact CG1-CD1 3.88Å; V221-I225 HydrophobicContact CG1-CG1 4.39Å; V221-I225 WeakPolarHBondContact O-CG1 3.37Å; V221-I225 PolarHBondContact O-N 3.4Å; A222-I225 PolarHBondContact O-N 2.95Å; I225-A227 VanDerWaalsContact C-N 3.31Å; I225-A227 PolarHBondContact O-N 3.49Å; I225-S228 VanDerWaalsContact O-CB 3.25Å; I225-S228 WeakPolarHBondContact O-CB 3.4Å; I225-S228 PolarHBondContact O-N 2.91Å; I225-V232 HydrophobicContact CG1-CG1 4.42Å; I225-V232 HydrophobicContact CG2-CB 4Å; I225-V232 HydrophobicContact CG2-CG1 4.05Å; I225-V232 HydrophobicContact CG2-CG2 4.26Å; I225-A245 HydrophobicContact CD1-CB 3.61Å; I225-V248 HydrophobicContact CB-CG1 4.19Å; I225-V248 HydrophobicContact CG2-CB 4.31Å; I225-V248 HydrophobicContact CG2-CG1 3.99Å; I225-A249 HydrophobicContact CG2-CB 4.24Å
226F95.5Very high94.8Very high77 Ų7734.5 Ų34.534%0.33816%0.16SC..Hα-helixtrans-60.1-40.1178.6-170.5-98.8000112.7L126 Y131 A222 R223 S228 V248L126-F226 HydrophobicContact CB-CD2 4.12Å; L126-F226 HydrophobicContact CB-CE2 4.36Å; L126-F226 HydrophobicContact CD2-CB 4.08Å; L126-F226 HydrophobicContact CD2-CD2 4.45Å; L126-F226 HydrophobicContact CD2-CG 4.15Å; L126-F226 HydrophobicContact CG-CB 4.42Å; L126-F226 HydrophobicContact CG-CD1 4.31Å; L126-F226 HydrophobicContact CG-CD2 3.9Å; L126-F226 HydrophobicContact CG-CE2 4.2Å; L126-F226 HydrophobicContact CG-CG 3.95Å; Y131-F226 HydrophobicContact CD1-CZ 4.14Å; Y131-F226 AromaticContact CD2-CE2 3.93Å; Y131-F226 HydrophobicContact CD2-CE2 3.93Å; Y131-F226 AromaticContact CD2-CZ 3.89Å; Y131-F226 HydrophobicContact CD2-CZ 3.89Å; Y131-F226 HydrophobicContact CE2-CZ 4.48Å; Y131-F226 AromaticContact CG-CE2 3.83Å; Y131-F226 HydrophobicContact CG-CE2 3.83Å; Y131-F226 AromaticContact CG-CZ 3.71Å; Y131-F226 HydrophobicContact CG-CZ 3.71Å; A222-F226 PolarHBondContact O-N 2.93Å; R223-F226 PolarHBondContact O-N 3.14Å; F226-S228 VanDerWaalsContact C-N 3.33Å; F226-V248 HydrophobicContact CB-CG1 3.59Å; F226-V248 HydrophobicContact CD2-CG1 4.13Å; F226-V248 HydrophobicContact CG-CG1 4.36Å
227A95Very high94.3Very high76 Ų7634.5 Ų34.563%0.62816%0.161SC*.Hα-helixtrans-79.9-11.7-179.400000114R223 A224 I225 R229R223-A227 VanDerWaalsContact O-CB 3.25Å; R223-A227 WeakPolarHBondContact O-CB 3.37Å; R223-A227 PolarHBondContact O-N 3Å; A224-A227 PolarHBondContact O-N 3.02Å; I225-A227 VanDerWaalsContact C-N 3.31Å; I225-A227 PolarHBondContact O-N 3.49Å; A227-R229 PolarHBondContact O-N 3.29Å
228S95.8Very high93.8Very high2 Ų239 Ų391%0.01418%0.181CC..  trans-58.5132.5-179.9-177.90000110.1K133 N193 A224 I225 F226 I230K133-S228 PolarHBondContact NZ-O 3.4Å; N193-S228 PolarHBondContact ND2-OG 3.41Å; N193-S228 PolarHBondContact OD1-OG 3.02Å; A224-S228 PolarHBondContact O-N 3.5Å; I225-S228 VanDerWaalsContact O-CB 3.25Å; I225-S228 WeakPolarHBondContact O-CB 3.4Å; I225-S228 PolarHBondContact O-N 2.91Å; F226-S228 VanDerWaalsContact C-N 3.33Å; S228-I230 PolarHBondContact OG-N 3.49Å; S228-I230 PolarHBondContact OG-O 2.89Å
229R94.2Very high92.8Very high202 Ų20244.6 Ų44.676%0.76221%0.206SC*.SBendtrans-74.1-38.4173.6-63.2178.7-176171.51.1111.2K133 N193 A227K133-R229 VanDerWaalsContact NZ-C 3.34Å; K133-R229 VanDerWaalsContact NZ-CA 3.29Å; K133-R229 PolarHBondContact NZ-O 3.37Å; N193-R229 WeakPolarHBondContact OD1-CA 3.47Å; N193-R229 WeakPolarHBondContact OD1-CB 3.39Å; N193-R229 PolarHBondContact OD1-N 3.35Å; A227-R229 PolarHBondContact O-N 3.29Å
230I95.6Very high91.9Very high7 Ų747.8 Ų47.84%0.03623%0.229CC..SBendtrans-77.8131.7176.3-54.7166.2000109.1A192 N193 C198 L201 S228A192-I230 WeakPolarHBondContact O-CD1 3.48Å; N193-I230 PolarHBondContact OD1-N 3.31Å; N193-I230 VanDerWaalsContact OD1-N 3.12Å; C198-I230 WeakPolarHBondContact O-CD1 3.39Å; L201-I230 HydrophobicContact CD1-CB 4.29Å; L201-I230 HydrophobicContact CD1-CG2 4.48Å; L201-I230 HydrophobicContact CG-CB 4.19Å; L201-I230 HydrophobicContact CG-CG2 3.84Å; S228-I230 PolarHBondContact OG-N 3.49Å; S228-I230 PolarHBondContact OG-O 2.89Å
231P96.2Very high91.1Very high18 Ų1843.4 Ų43.412%0.11722%0.216CC..  trans-54.4136.1174.7-25.932.8000113.1K133 L135 D199 L201 D250K133-P231 HydrophobicContact CB-CB 4.26Å; K133-P231 HydrophobicContact CB-CG 3.97Å; K133-P231 HydrophobicContact CD-CG 4.42Å; L135-P231 HydrophobicContact CD2-CB 3.88Å; D199-P231 WeakPolarHBondContact O-CD 3.33Å; L201-P231 PolarHBondContact N-O 2.89Å; P231-D250 WeakPolarHBondContact CA-OD2 3.49Å
232V97.1Very high90.7Very high0 Ų045.7 Ų45.70%023%0.23CC..EExtended strand (participates in β ladder)trans-113.8127-176.5-175.20000110.9L201 V203 I225 D250 L251L201-V232 HydrophobicContact CB-CG2 4.31Å; L201-V232 HydrophobicContact CD1-CG2 4.44Å; L201-V232 CarbonylContact O-C 3.57Å; L201-V232 WeakPolarHBondContact O-CA 3.5Å; V203-V232 HydrophobicContact CB-CG1 4.1Å; V203-V232 HydrophobicContact CG2-CG1 3.62Å; I225-V232 HydrophobicContact CG1-CG1 4.42Å; I225-V232 HydrophobicContact CG2-CB 4Å; I225-V232 HydrophobicContact CG2-CG1 4.05Å; I225-V232 HydrophobicContact CG2-CG2 4.26Å; V232-D250 PolarHBondContact N-OD2 2.93Å; V232-D250 PolarHBondContact O-N 2.92Å; V232-L251 PolarHBondContact O-N 3.37Å
233V96.5Very high90.5Very high0 Ų045.9 Ų45.90%023%0.231CC..EExtended strand (participates in β ladder)trans-100.2117.4168.9-1760000108.4L135 V200 L201 I202 V203 L251 A253 A259 V263L135-V233 HydrophobicContact CD1-CG2 4.09Å; L135-V233 HydrophobicContact CD2-CG2 3.64Å; V200-V233 HydrophobicContact CG2-CG2 3.83Å; L201-V233 PolarHBondContact O-N 3.47Å; I202-V233 WeakPolarHBondContact CA-O 3.28Å; I202-V233 HydrophobicContact CG1-CB 4.42Å; V203-V233 PolarHBondContact N-O 2.8Å; V233-L251 CarbonylContact C-O 3.59Å; V233-L251 VanDerWaalsContact CA-O 3.3Å; V233-L251 WeakPolarHBondContact CA-O 3.33Å; V233-L251 HydrophobicContact CG1-CD2 4.43Å; V233-L251 HydrophobicContact CG2-CB 4.36Å; V233-A253 HydrophobicContact CG1-CB 3.87Å; V233-A259 HydrophobicContact CG1-CB 3.86Å; V233-V263 HydrophobicContact CG2-CG1 4.12Å
234S95.6Very high90.4Very high0 Ų041.3 Ų41.30%021%0.214CC..EExtended strand (participates in β ladder)trans-83.6132.6172.1-174.90000110V203 D246 L251 A253V203-S234 WeakPolarHBondContact O-CA 3.27Å; S234-D246 WeakPolarHBondContact CB-OD1 3.35Å; S234-D246 PolarHBondContact OG-OD1 3.26Å; S234-L251 PolarHBondContact N-O 2.97Å; S234-A253 PolarHBondContact O-N 2.84Å
235A93.7Very high90.3Very high0 Ų040.7 Ų40.70%021%0.209CC..EExtended strand (participates in β ladder)trans-14062.4-176.300000110.3I202 V203 G204 R205 A253 A259I202-A235 HydrophobicContact CG2-CB 4Å; V203-A235 PolarHBondContact O-N 3.26Å; G204-A235 WeakPolarHBondContact CA-O 3.27Å; R205-A235 PolarHBondContact N-O 3.19Å; R205-A235 VanDerWaalsContact N-O 3.14Å; R205-A235 VanDerWaalsContact O-O 3.09Å; A235-A253 HydrophobicContact CB-CB 4.41Å; A235-A259 HydrophobicContact CB-CB 3.52Å
236V89.8Confident90.2Very high0 Ų040.8 Ų40.80%021%0.209CC..EExtended strand (participates in β ladder)trans-107.5121-172.2-177.30000109.8L213 F216 T243L213-V236 HydrophobicContact CD2-CG1 3.67Å; F216-V236 HydrophobicContact CB-CG1 4.36Å; F216-V236 HydrophobicContact CB-CG2 4.3Å; F216-V236 HydrophobicContact CD1-CG2 3.5Å; F216-V236 VanDerWaalsContact CD1-CG2 3.5Å; F216-V236 HydrophobicContact CD2-CG1 3.7Å; F216-V236 HydrophobicContact CD2-CG2 4.06Å; F216-V236 HydrophobicContact CE1-CG2 3.73Å; F216-V236 HydrophobicContact CE2-CG1 4.13Å; F216-V236 HydrophobicContact CE2-CG2 4.27Å; F216-V236 HydrophobicContact CG-CB 4.5Å; F216-V236 HydrophobicContact CG-CG1 3.97Å; F216-V236 HydrophobicContact CG-CG2 3.68Å; F216-V236 HydrophobicContact CZ-CG2 4.11Å; V236-T243 HydrophobicContact CB-CG2 4.3Å; V236-T243 HydrophobicContact CG1-CG2 3.68Å
237G82.3Confident90.1Very high1 Ų140 Ų401%0.0121%0.206CC..SBendtrans72.3-140172.400000115R205R205-G237 PolarHBondContact O-N 3.06Å
238H81.4Confident90.1Very high102 Ų10236.6 Ų36.647%0.47218%0.177SC..SBendtrans-118.8-175.7176.1-64.587.3000111.9T240 D241 P254H238-T240 PolarHBondContact O-N 2.96Å; H238-T240 VanDerWaalsContact O-N 3.09Å; H238-D241 PolarHBondContact N-OD2 3.41Å; H238-D241 IonicContact ND1-OD2 3.58Å; H238-D241 PolarHBondContact O-N 3.32Å; H238-P254 CarbonylContact C-O 3.55Å; H238-P254 WeakPolarHBondContact CA-O 3.17Å
239E72.8Confident90Very high150 Ų15036.5 Ų36.570%0.70118%0.176SC*.THydrogen-bonded Turntrans-53.8-34-176.7-70.4-170.3163.300114.6R252 P254E239-R252 PolarHBondContact O-NH2 2.87Å; E239-P254 HydrophobicContact CG-CB 3.76Å
240T75.9Confident90.1Very high121 Ų12127.9 Ų27.974%0.74215%0.146SC*.THydrogen-bonded Turntrans-79.6-19.9179.849.60000114.1H238 V242H238-T240 PolarHBondContact O-N 2.96Å; H238-T240 VanDerWaalsContact O-N 3.09Å; T240-V242 PolarHBondContact O-N 3.18Å
241D78.2Confident90Very high44 Ų4430.3 Ų30.324%0.23516%0.159CC..  trans-93.786.6-169.3-50.5-26.1000108.1L213 H238L213-D241 HydrophobicContact CD1-CB 3.9Å; H238-D241 PolarHBondContact N-OD2 3.41Å; H238-D241 IonicContact ND1-OD2 3.58Å; H238-D241 PolarHBondContact O-N 3.32Å
242V86.6Confident89.9Confident49 Ų4933.8 Ų33.830%0.29717%0.169SC..  trans-99.5111.3-178.7-165.30000110.4Y114 T240 D246 F247Y114-V242 PolarHBondContact OH-O 3.45Å; T240-V242 PolarHBondContact O-N 3.18Å; V242-D246 HydrophobicContact CG1-CB 4.24Å; V242-F247 HydrophobicContact CB-CE2 4.45Å; V242-F247 HydrophobicContact CB-CZ 4.49Å; V242-F247 HydrophobicContact CG1-CD2 4.21Å; V242-F247 HydrophobicContact CG1-CE1 4.21Å; V242-F247 HydrophobicContact CG1-CE2 3.43Å; V242-F247 VanDerWaalsContact CG1-CE2 3.43Å; V242-F247 HydrophobicContact CG1-CZ 3.43Å; V242-F247 VanDerWaalsContact CG1-CZ 3.43Å
243T91.3Very high89.7Confident3 Ų334 Ų342%0.01817%0.171CC..  trans-96.1167.4179.365.70000112.2F216 N217 V236 A245 D246 F247F216-T243 HydrophobicContact CB-CG2 4.06Å; N217-T243 VanDerWaalsContact OD1-CA 3.25Å; N217-T243 WeakPolarHBondContact OD1-CA 3.44Å; N217-T243 WeakPolarHBondContact OD1-CB 3.47Å; V236-T243 HydrophobicContact CB-CG2 4.3Å; V236-T243 HydrophobicContact CG1-CG2 3.68Å; T243-A245 VanDerWaalsContact C-N 3.29Å; T243-A245 PolarHBondContact O-N 3.4Å; T243-D246 PolarHBondContact N-OD2 2.59Å; T243-D246 WeakPolarHBondContact O-CB 3.4Å; T243-D246 PolarHBondContact O-N 3Å; T243-D246 VanDerWaalsContact OG1-CG 3.31Å; T243-D246 PolarHBondContact OG1-N 2.87Å; T243-D246 PolarHBondContact OG1-OD2 3.27Å; T243-F247 VanDerWaalsContact O-CD2 3.24Å; T243-F247 WeakPolarHBondContact O-CD2 3.37Å
244I93.2Very high89.4Confident0 Ų036 Ų360%018%0.184CC..Hα-helixtrans-64.1-38.3174.8-63.7177000110.5Y114 L117 L121 F127 N217 A222 D246 F247 V248Y114-I244 HydrophobicContact CD2-CD1 4.1Å; Y114-I244 HydrophobicContact CD2-CG1 3.9Å; Y114-I244 HydrophobicContact CE2-CD1 4.46Å; Y114-I244 HydrophobicContact CE2-CG1 3.77Å; L117-I244 HydrophobicContact CB-CD1 3.85Å; L117-I244 HydrophobicContact CD2-CD1 3.41Å; L117-I244 VanDerWaalsContact CD2-CD1 3.41Å; L117-I244 HydrophobicContact CG-CD1 3.58Å; L121-I244 HydrophobicContact CD1-CG2 3.54Å; F127-I244 HydrophobicContact CE1-CG2 4.35Å; F127-I244 HydrophobicContact CZ-CG2 4.4Å; N217-I244 HydrophobicContact CB-CD1 4.16Å; N217-I244 HydrophobicContact CB-CG1 4.38Å; N217-I244 PolarHBondContact OD1-N 2.97Å; A222-I244 HydrophobicContact CB-CG2 3.81Å; I244-D246 PolarHBondContact O-N 3.47Å; I244-F247 PolarHBondContact O-N 3.1Å; I244-V248 HydrophobicContact CG2-CG2 4.33Å; I244-V248 WeakPolarHBondContact O-CG2 3.49Å; I244-V248 PolarHBondContact O-N 2.94Å
245A93.7Very high89.1Confident0 Ų038 Ų380%020%0.196CC..Hα-helixtrans-53.4-38.317300000112.5F216 I225 T243 F247 V248 A249F216-A245 HydrophobicContact CB-CB 4Å; F216-A245 HydrophobicContact CD1-CB 4.3Å; F216-A245 WeakPolarHBondContact O-CB 3.09Å; F216-A245 PolarHBondContact O-N 2.89Å; F216-A245 VanDerWaalsContact O-N 3.09Å; I225-A245 HydrophobicContact CD1-CB 3.61Å; T243-A245 VanDerWaalsContact C-N 3.29Å; T243-A245 PolarHBondContact O-N 3.4Å; A245-F247 VanDerWaalsContact C-N 3.33Å; A245-F247 PolarHBondContact O-N 3.42Å; A245-V248 PolarHBondContact O-N 3.27Å; A245-A249 VanDerWaalsContact O-CB 3.23Å; A245-A249 WeakPolarHBondContact O-CB 3.13Å; A245-A249 PolarHBondContact O-N 3.32Å
246D93.5Very high89.1Confident4 Ų438.2 Ų38.22%0.02120%0.198CC..Hα-helixtrans-65.1-33.8178.2-63.7-52.9000113.6S234 V242 T243 I244 R252S234-D246 WeakPolarHBondContact CB-OD1 3.35Å; S234-D246 PolarHBondContact OG-OD1 3.26Å; V242-D246 HydrophobicContact CG1-CB 4.24Å; T243-D246 PolarHBondContact N-OD2 2.59Å; T243-D246 WeakPolarHBondContact O-CB 3.4Å; T243-D246 PolarHBondContact O-N 3Å; T243-D246 VanDerWaalsContact OG1-CG 3.31Å; T243-D246 PolarHBondContact OG1-N 2.87Å; T243-D246 PolarHBondContact OG1-OD2 3.27Å; I244-D246 PolarHBondContact O-N 3.47Å; D246-R252 HydrophobicContact CB-CB 4.36Å; D246-R252 HydrophobicContact CB-CG 3.87Å
247F93.4Very high89.2Confident60 Ų6040.1 Ų40.126%0.26321%0.211SC..Hα-helixtrans-74.5-38.3178.2-70.2-69.9000112K118 F127 K132 V242 T243 I244 A245K118-F247 HydrophobicContact CD-CE2 4.42Å; F127-F247 HydrophobicContact CD1-CB 3.54Å; F127-F247 HydrophobicContact CD2-CB 4.25Å; F127-F247 HydrophobicContact CE1-CB 3.67Å; F127-F247 HydrophobicContact CE2-CB 4.33Å; F127-F247 HydrophobicContact CG-CB 3.88Å; F127-F247 HydrophobicContact CZ-CB 4.07Å; K132-F247 PolarHBondContact NZ-O 3.44Å; V242-F247 HydrophobicContact CB-CE2 4.45Å; V242-F247 HydrophobicContact CB-CZ 4.49Å; V242-F247 HydrophobicContact CG1-CD2 4.21Å; V242-F247 HydrophobicContact CG1-CE1 4.21Å; V242-F247 HydrophobicContact CG1-CE2 3.43Å; V242-F247 VanDerWaalsContact CG1-CE2 3.43Å; V242-F247 HydrophobicContact CG1-CZ 3.43Å; V242-F247 VanDerWaalsContact CG1-CZ 3.43Å; T243-F247 VanDerWaalsContact O-CD2 3.24Å; T243-F247 WeakPolarHBondContact O-CD2 3.37Å; I244-F247 PolarHBondContact O-N 3.1Å; A245-F247 VanDerWaalsContact C-N 3.33Å; A245-F247 PolarHBondContact O-N 3.42Å
248V94.5Very high89.7Confident5 Ų541.1 Ų41.13%0.0322%0.219CC..Hα-helixtrans-78.9-32-178.5-174.10000112.5F127 A222 I225 F226 I244 A245F127-V248 HydrophobicContact CD1-CG2 3.78Å; F127-V248 HydrophobicContact CE1-CG2 3.5Å; F127-V248 VanDerWaalsContact CE1-CG2 3.5Å; A222-V248 HydrophobicContact CB-CG2 4.01Å; A222-V248 WeakPolarHBondContact O-CG1 3.43Å; I225-V248 HydrophobicContact CB-CG1 4.19Å; I225-V248 HydrophobicContact CG2-CB 4.31Å; I225-V248 HydrophobicContact CG2-CG1 3.99Å; F226-V248 HydrophobicContact CB-CG1 3.59Å; F226-V248 HydrophobicContact CD2-CG1 4.13Å; F226-V248 HydrophobicContact CG-CG1 4.36Å; I244-V248 HydrophobicContact CG2-CG2 4.33Å; I244-V248 WeakPolarHBondContact O-CG2 3.49Å; I244-V248 PolarHBondContact O-N 2.94Å; A245-V248 PolarHBondContact O-N 3.27Å
249A95.4Very high90.2Very high0 Ų036.3 Ų36.30%020%0.197CC..SBendtrans-58.7149.9179.600000112.4K132 I225 A245 L251K132-A249 WeakPolarHBondContact CE-O 3.26Å; K132-A249 PolarHBondContact NZ-O 2.71Å; I225-A249 HydrophobicContact CG2-CB 4.24Å; A245-A249 VanDerWaalsContact O-CB 3.23Å; A245-A249 WeakPolarHBondContact O-CB 3.13Å; A245-A249 PolarHBondContact O-N 3.32Å; A249-L251 PolarHBondContact O-N 3.12Å
250D95.3Very high91.2Very high22 Ų2229.1 Ų29.112%0.11816%0.163CC..SBendtrans-63.5-32.5178.1-60.2-63.2000111.3K132 K133 P231 V232K132-D250 WeakPolarHBondContact CA-OD1 3.37Å; K133-D250 PolarHBondContact N-OD1 3.04Å; P231-D250 WeakPolarHBondContact CA-OD2 3.49Å; V232-D250 PolarHBondContact N-OD2 2.93Å; V232-D250 PolarHBondContact O-N 2.92Å
251L93.4Very high91.9Very high58 Ų5826.8 Ų26.830%0.30414%0.144SC..EExtended strand (participates in β ladder)trans-141.6137169.9-173.476.3000111.5L135 V232 V233 S234 A249 V262L135-L251 HydrophobicContact CD1-CB 3.78Å; L135-L251 HydrophobicContact CD1-CD2 3.41Å; L135-L251 VanDerWaalsContact CD1-CD2 3.41Å; L135-L251 HydrophobicContact CD1-CG 4.13Å; V232-L251 PolarHBondContact O-N 3.37Å; V233-L251 CarbonylContact C-O 3.59Å; V233-L251 VanDerWaalsContact CA-O 3.3Å; V233-L251 WeakPolarHBondContact CA-O 3.33Å; V233-L251 HydrophobicContact CG1-CD2 4.43Å; V233-L251 HydrophobicContact CG2-CB 4.36Å; S234-L251 PolarHBondContact N-O 2.97Å; A249-L251 PolarHBondContact O-N 3.12Å; L251-V262 HydrophobicContact CD2-CB 4.28Å; L251-V262 HydrophobicContact CD2-CG1 3.53Å; L251-V262 HydrophobicContact CD2-CG2 4.35Å
252R93.4Very high92.5Very high91 Ų9128.5 Ų28.534%0.34316%0.156SC..EExtended strand (participates in β ladder)trans-91.4125.8165.6-179.3-172.6-178.8-125.5-2.5110.2E239 D246E239-R252 PolarHBondContact O-NH2 2.87Å; D246-R252 HydrophobicContact CB-CB 4.36Å; D246-R252 HydrophobicContact CB-CG 3.87Å
253A93Very high92.7Very high3 Ų326.5 Ų26.53%0.02514%0.143CC..  trans-107.5135.3165.900000109.8V233 S234 A235 T255 A258 A259V233-A253 HydrophobicContact CG1-CB 3.87Å; S234-A253 PolarHBondContact O-N 2.84Å; A235-A253 HydrophobicContact CB-CB 4.41Å; A253-T255 PolarHBondContact O-N 3.11Å; A253-A258 HydrophobicContact CB-CB 4.39Å; A253-A259 HydrophobicContact CB-CB 3.61Å
254P90.2Very high92.6Very high42 Ų4227 Ų2727%0.27315%0.147SC..SBendtrans-69-20.1-174.627-35.7000113.9H238 E239 A258H238-P254 CarbonylContact C-O 3.55Å; H238-P254 WeakPolarHBondContact CA-O 3.17Å; E239-P254 HydrophobicContact CG-CB 3.76Å; P254-A258 HydrophobicContact CG-CB 3.86Å
255T90.7Very high92.2Very high42 Ų4230.3 Ų30.326%0.25816%0.159SC..SBendtrans-148.5158.4178.559.80000110.5A253 S257 A258 A259A253-T255 PolarHBondContact O-N 3.11Å; T255-S257 PolarHBondContact O-N 3.03Å; T255-A258 PolarHBondContact O-N 3.27Å; T255-A258 VanDerWaalsContact O-N 3.08Å; T255-A258 WeakPolarHBondContact OG1-CB 3.45Å; T255-A258 PolarHBondContact OG1-N 2.9Å; T255-A258 VanDerWaalsContact OG1-N 3.12Å; T255-A259 PolarHBondContact O-N 2.7Å
256P92.1Very high91.7Very high6 Ų632.8 Ų32.84%0.03917%0.173CC..Hα-helixtrans-51.9-40.8170.1-28.735.8000113.4A152 I156 A259 A260A152-P256 HydrophobicContact CB-CB 3.97Å; A152-P256 HydrophobicContact CB-CG 3.69Å; I156-P256 HydrophobicContact CD1-CB 3.95Å; I156-P256 HydrophobicContact CG1-CB 3.79Å; I156-P256 WeakPolarHBondContact CG1-O 3.36Å; P256-A259 WeakPolarHBondContact O-CB 3.35Å; P256-A259 PolarHBondContact O-N 3.3Å; P256-A260 PolarHBondContact O-N 2.91Å; P256-A260 VanDerWaalsContact O-N 3.13Å
257S92.4Very high91.1Very high40 Ų4036.3 Ų36.328%0.2819%0.189SC..Hα-helixtrans-61.1-46.2175.2-72.40000112.2T255 A259 A260 E261T255-S257 PolarHBondContact O-N 3.03Å; S257-A259 VanDerWaalsContact C-N 3.31Å; S257-A259 PolarHBondContact O-N 3.24Å; S257-A260 WeakPolarHBondContact O-CB 3.19Å; S257-A260 PolarHBondContact O-N 3.29Å; S257-E261 WeakPolarHBondContact O-CG 3.33Å; S257-E261 PolarHBondContact O-N 3.25Å
258A92.8Very high90.7Very high22 Ų2239.5 Ų39.518%0.18221%0.205CC..Hα-helixtrans-64.2-37.2178.600000111.9A253 P254 T255 A260 E261 V262A253-A258 HydrophobicContact CB-CB 4.39Å; P254-A258 HydrophobicContact CG-CB 3.86Å; T255-A258 PolarHBondContact O-N 3.27Å; T255-A258 VanDerWaalsContact O-N 3.08Å; T255-A258 WeakPolarHBondContact OG1-CB 3.45Å; T255-A258 PolarHBondContact OG1-N 2.9Å; T255-A258 VanDerWaalsContact OG1-N 3.12Å; A258-A260 VanDerWaalsContact C-N 3.32Å; A258-A260 PolarHBondContact O-N 3.23Å; A258-E261 PolarHBondContact O-N 2.8Å; A258-E261 VanDerWaalsContact O-N 3.16Å; A258-V262 WeakPolarHBondContact O-CG2 3.45Å; A258-V262 PolarHBondContact O-N 3.04Å; A258-V262 VanDerWaalsContact O-N 3.08Å
259A93Very high90.2Very high0 Ų042.3 Ų42.30%022%0.218CC..Hα-helixtrans-59.9-45174.800000111.4I202 V233 A235 A253 T255 P256 S257 E261 V262 V263I202-A259 HydrophobicContact CD1-CB 4.06Å; I202-A259 HydrophobicContact CG1-CB 4.34Å; I202-A259 HydrophobicContact CG2-CB 3.87Å; V233-A259 HydrophobicContact CG1-CB 3.86Å; A235-A259 HydrophobicContact CB-CB 3.52Å; A253-A259 HydrophobicContact CB-CB 3.61Å; T255-A259 PolarHBondContact O-N 2.7Å; P256-A259 WeakPolarHBondContact O-CB 3.35Å; P256-A259 PolarHBondContact O-N 3.3Å; S257-A259 VanDerWaalsContact C-N 3.31Å; S257-A259 PolarHBondContact O-N 3.24Å; A259-E261 VanDerWaalsContact C-N 3.31Å; A259-E261 PolarHBondContact O-N 3.13Å; A259-V262 PolarHBondContact O-N 2.88Å; A259-V263 PolarHBondContact O-N 3.49Å
260A92.7Very high89.8Confident0 Ų046.1 Ų46.10%024%0.238CC..Hα-helixtrans-60.9-38.5174.700000112.4I156 V159 L160 P256 S257 A258 S264I156-A260 HydrophobicContact CB-CB 4.39Å; I156-A260 HydrophobicContact CG1-CB 4.46Å; I156-A260 HydrophobicContact CG2-CB 4.15Å; V159-A260 HydrophobicContact CB-CB 3.74Å; V159-A260 HydrophobicContact CG1-CB 3.59Å; L160-A260 HydrophobicContact CD2-CB 3.94Å; L160-A260 WeakPolarHBondContact CD2-O 3.45Å; L160-A260 HydrophobicContact CG-CB 3.96Å; P256-A260 PolarHBondContact O-N 2.91Å; P256-A260 VanDerWaalsContact O-N 3.13Å; S257-A260 WeakPolarHBondContact O-CB 3.19Å; S257-A260 PolarHBondContact O-N 3.29Å; A258-A260 VanDerWaalsContact C-N 3.32Å; A258-A260 PolarHBondContact O-N 3.23Å; A260-S264 WeakPolarHBondContact O-CB 3.46Å; A260-S264 PolarHBondContact O-N 3.06Å; A260-S264 VanDerWaalsContact O-N 3.13Å; A260-S264 PolarHBondContact O-OG 2.8Å; A260-S264 VanDerWaalsContact O-OG 3.13Å
261E91.7Very high89.5Confident71 Ų7149.6 Ų49.633%0.33226%0.256SS..Hα-helixtrans-64.4-41.4177.5-62.8-151136.900112.8V159 R162 R163 S257 A258 A259 S264V159-E261 HydrophobicContact CG1-CG 3.61Å; R162-E261 IonicContact NH2-OE1 2.99Å; R162-E261 PolarHBondContact NH2-OE1 2.96Å; R163-E261 IonicContact CZ-OE1 2.72Å; R163-E261 IonicContact NH1-OE1 2.9Å; R163-E261 PolarHBondContact NH1-OE1 3.21Å; R163-E261 IonicContact NH1-OE2 3.28Å; R163-E261 PolarHBondContact NH1-OE2 2.98Å; S257-E261 WeakPolarHBondContact O-CG 3.33Å; S257-E261 PolarHBondContact O-N 3.25Å; A258-E261 PolarHBondContact O-N 2.8Å; A258-E261 VanDerWaalsContact O-N 3.16Å; A259-E261 VanDerWaalsContact C-N 3.31Å; A259-E261 PolarHBondContact O-N 3.13Å; E261-S264 PolarHBondContact O-N 2.98Å; E261-S264 PolarHBondContact O-OG 3.44Å
262V90.7Very high89.3Confident81 Ų8153.8 Ų53.849%0.49127%0.268SS..Hα-helixtrans-69-37.5-177176.20000112.2L135 L251 A258 A259L135-V262 HydrophobicContact CD1-CG1 3.99Å; L251-V262 HydrophobicContact CD2-CB 4.28Å; L251-V262 HydrophobicContact CD2-CG1 3.53Å; L251-V262 HydrophobicContact CD2-CG2 4.35Å; A258-V262 WeakPolarHBondContact O-CG2 3.45Å; A258-V262 PolarHBondContact O-N 3.04Å; A258-V262 VanDerWaalsContact O-N 3.08Å; A259-V262 PolarHBondContact O-N 2.88Å
263V91.1Very high89.2Confident6 Ų654 Ų544%0.03627%0.273CS..Hα-helixtrans-82.4-21.2179.5-56.70000113.3V142 L160 V200 I202 V233 A259V142-V263 HydrophobicContact CG1-CG2 4.32Å; V142-V263 HydrophobicContact CG2-CB 4.12Å; V142-V263 HydrophobicContact CG2-CG2 3.73Å; L160-V263 HydrophobicContact CD2-CG2 4.08Å; V200-V263 HydrophobicContact CG1-CB 4.05Å; V200-V263 HydrophobicContact CG1-CG1 3.83Å; V200-V263 HydrophobicContact CG2-CG1 3.89Å; I202-V263 HydrophobicContact CD1-CG1 4.41Å; I202-V263 HydrophobicContact CD1-CG2 3.9Å; I202-V263 HydrophobicContact CG1-CG1 4.44Å; V233-V263 HydrophobicContact CG2-CG1 4.12Å; A259-V263 PolarHBondContact O-N 3.49Å
264S89Confident89.3Confident13 Ų1358.7 Ų58.79%0.09130%0.3CS..SBendtrans-79.5145.5-176.768.30000113.3R163 A260 E261R163-S264 PolarHBondContact NE-OG 2.82Å; A260-S264 WeakPolarHBondContact O-CB 3.46Å; A260-S264 PolarHBondContact O-N 3.06Å; A260-S264 VanDerWaalsContact O-N 3.13Å; A260-S264 PolarHBondContact O-OG 2.8Å; A260-S264 VanDerWaalsContact O-OG 3.13Å; E261-S264 PolarHBondContact O-N 2.98Å; E261-S264 PolarHBondContact O-OG 3.44Å
265R84.5Confident89.5Confident70 Ų7062 Ų6226%0.26431%0.312SS..  trans-63.8145.5158.2-71.8167.4-74.9-169.74.1109.2P138 R163 D164 S166 Q267 L270P138-R265 VanDerWaalsContact CB-CD 3.49Å; P138-R265 HydrophobicContact CB-CG 3.2Å; P138-R265 HydrophobicContact CG-CG 4.01Å; R163-R265 CarbonylContact C-O 3.6Å; R163-R265 VanDerWaalsContact C-O 3.32Å; D164-R265 HydrophobicContact CB-CB 4.21Å; D164-R265 IonicContact OD1-CZ 3.21Å; D164-R265 IonicContact OD1-NE 2.98Å; D164-R265 IonicContact OD1-NH2 3.49Å; D164-R265 PolarHBondContact OD1-NH2 3.46Å; D164-R265 VanDerWaalsContact OD1-NH2 3.12Å; D164-R265 WeakPolarHBondContact OD2-CB 3.16Å; D164-R265 IonicContact OD2-CZ 3.87Å; D164-R265 PolarHBondContact OD2-N 2.9Å; D164-R265 IonicContact OD2-NE 3.08Å; D164-R265 PolarHBondContact OD2-NE 3.33Å; D164-R265 IonicContact OD2-NH2 3.75Å; D164-R265 PolarHBondContact OD2-NH2 2.7Å; S166-R265 PolarHBondContact OG-NH2 3.28Å; R265-Q267 PolarHBondContact O-N 2.77Å; R265-L270 HydrophobicContact CB-CD1 4.2Å; R265-L270 HydrophobicContact CG-CD1 4.46Å
266N83Confident89.7Confident52 Ų5262.4 Ų62.428%0.27832%0.317SS..  trans-87.286.6164.2-171.3-18000108.5Q268 E269 L270N266-Q268 PolarHBondContact O-N 3.14Å; N266-Q268 PolarHBondContact OD1-N 2.97Å; N266-E269 HydrophobicContact CB-CB 3.75Å; N266-E269 VanDerWaalsContact CG-CB 3.47Å; N266-E269 WeakPolarHBondContact O-CA 3.21Å; N266-E269 WeakPolarHBondContact O-CB 3.22Å; N266-E269 PolarHBondContact O-N 3.38Å; N266-E269 PolarHBondContact OD1-N 3.2Å; N266-E269 VanDerWaalsContact OD1-N 3.11Å; N266-L270 PolarHBondContact O-N 3.3Å
267Q81.6Confident89.9Confident78 Ų7864 Ų6436%0.36433%0.331SS..Hα-helixtrans-59.3-34.4-176.8-170.1-174.417.600112.2R163 R265 E269 L270 L271R163-Q267 WeakPolarHBondContact O-CB 3.33Å; R163-Q267 PolarHBondContact O-N 3.31Å; R265-Q267 PolarHBondContact O-N 2.77Å; Q267-E269 VanDerWaalsContact C-N 3.34Å; Q267-L270 PolarHBondContact O-N 3.35Å; Q267-L271 HydrophobicContact CG-CD1 4.45Å; Q267-L271 WeakPolarHBondContact O-CB 3.38Å; Q267-L271 WeakPolarHBondContact O-CG 3.35Å; Q267-L271 PolarHBondContact O-N 3.38Å
268Q83.4Confident90.2Very high128 Ų12868.9 Ų68.960%0.59834%0.343SS*.Hα-helixtrans-64.3-40.3175.2-66.7-178.1-13.300111.5N266 L271 R272N266-Q268 PolarHBondContact O-N 3.14Å; N266-Q268 PolarHBondContact OD1-N 2.97Å; Q268-L271 PolarHBondContact O-N 3.31Å; Q268-R272 WeakPolarHBondContact O-CG 3.24Å; Q268-R272 PolarHBondContact O-N 2.93Å
269E85.6Confident90.3Very high63 Ų6373 Ų7329%0.29436%0.358SS..Hα-helixtrans-62.9-46.117318057-157.700111.7N266 Q267 L271 R272 Q273N266-E269 HydrophobicContact CB-CB 3.75Å; N266-E269 VanDerWaalsContact CG-CB 3.47Å; N266-E269 WeakPolarHBondContact O-CA 3.21Å; N266-E269 WeakPolarHBondContact O-CB 3.22Å; N266-E269 PolarHBondContact O-N 3.38Å; N266-E269 PolarHBondContact OD1-N 3.2Å; N266-E269 VanDerWaalsContact OD1-N 3.11Å; Q267-E269 VanDerWaalsContact C-N 3.34Å; E269-L271 VanDerWaalsContact C-N 3.33Å; E269-L271 PolarHBondContact O-N 3.5Å; E269-R272 WeakPolarHBondContact O-CB 3.45Å; E269-R272 PolarHBondContact O-N 2.9Å; E269-R272 IonicContact OE2-CZ 3.93Å; E269-R272 IonicContact OE2-NE 2.67Å; E269-R272 PolarHBondContact OE2-NE 3.05Å; E269-R272 IonicContact OE2-NH2 3.38Å; E269-R272 PolarHBondContact OE2-NH2 3.43Å; E269-Q273 WeakPolarHBondContact O-CG 3.38Å; E269-Q273 PolarHBondContact O-N 3.16Å; E269-Q273 PolarHBondContact OE1-NE2 3Å
270L85.4Confident90.4Very high81 Ų8180.6 Ų80.642%0.42439%0.387SS..Hα-helixtrans-59.3-43.6176.3-69.5171.3000111.8R265 N266 Q267 Q273 V274R265-L270 HydrophobicContact CB-CD1 4.2Å; R265-L270 HydrophobicContact CG-CD1 4.46Å; N266-L270 PolarHBondContact O-N 3.3Å; Q267-L270 PolarHBondContact O-N 3.35Å; L270-Q273 PolarHBondContact O-N 2.85Å; L270-V274 WeakPolarHBondContact O-CG2 3.21Å; L270-V274 PolarHBondContact O-N 3.45Å
271L89Confident90.6Very high94 Ų9485.7 Ų85.749%0.49241%0.414SS..Hα-helixtrans-62.6-42.5175.7-75.8170.9000112.1Q267 Q268 E269 Q273 V274 Q275Q267-L271 HydrophobicContact CG-CD1 4.45Å; Q267-L271 WeakPolarHBondContact O-CB 3.38Å; Q267-L271 WeakPolarHBondContact O-CG 3.35Å; Q267-L271 PolarHBondContact O-N 3.38Å; Q268-L271 PolarHBondContact O-N 3.31Å; E269-L271 VanDerWaalsContact C-N 3.33Å; E269-L271 PolarHBondContact O-N 3.5Å; L271-Q273 VanDerWaalsContact C-N 3.33Å; L271-Q273 PolarHBondContact O-N 3.44Å; L271-V274 PolarHBondContact O-N 2.92Å; L271-Q275 WeakPolarHBondContact O-CB 3.35Å; L271-Q275 VanDerWaalsContact O-CG 3.28Å; L271-Q275 WeakPolarHBondContact O-CG 3.29Å; L271-Q275 PolarHBondContact O-N 3.23Å
272R90.7Very high90.9Very high147 Ų14786.1 Ų86.156%0.55542%0.416SS*.Hα-helixtrans-61.7-41.7174.5-74.9-171.2-63.8170.4-5.8111.7Q268 E269 Q275 S276Q268-R272 WeakPolarHBondContact O-CG 3.24Å; Q268-R272 PolarHBondContact O-N 2.93Å; E269-R272 WeakPolarHBondContact O-CB 3.45Å; E269-R272 PolarHBondContact O-N 2.9Å; E269-R272 IonicContact OE2-CZ 3.93Å; E269-R272 IonicContact OE2-NE 2.67Å; E269-R272 PolarHBondContact OE2-NE 3.05Å; E269-R272 IonicContact OE2-NH2 3.38Å; E269-R272 PolarHBondContact OE2-NH2 3.43Å; R272-Q275 PolarHBondContact O-N 2.8Å; R272-S276 WeakPolarHBondContact O-CB 3.42Å; R272-S276 PolarHBondContact O-N 2.78Å; R272-S276 PolarHBondContact O-OG 3.24Å
273Q91.6Very high91.2Very high96 Ų9688.1 Ų88.145%0.44942%0.421SS..Hα-helixtrans-62.5-45.3176.2-71.9176.48.800111.5E269 L270 L271 S276 A277E269-Q273 WeakPolarHBondContact O-CG 3.38Å; E269-Q273 PolarHBondContact O-N 3.16Å; E269-Q273 PolarHBondContact OE1-NE2 3Å; L270-Q273 PolarHBondContact O-N 2.85Å; L271-Q273 VanDerWaalsContact C-N 3.33Å; L271-Q273 PolarHBondContact O-N 3.44Å; Q273-S276 PolarHBondContact O-N 3.13Å; Q273-S276 PolarHBondContact O-OG 3.24Å; Q273-A277 WeakPolarHBondContact O-CB 3.39Å; Q273-A277 PolarHBondContact O-N 3.13Å
274V93.9Very high91.4Very high100 Ų10090.6 Ų90.661%0.60644%0.442SS*.Hα-helixtrans-62.2-44.7175.2172.60000111.5L270 L271 A277 R278L270-V274 WeakPolarHBondContact O-CG2 3.21Å; L270-V274 PolarHBondContact O-N 3.45Å; L271-V274 PolarHBondContact O-N 2.92Å; V274-A277 PolarHBondContact O-N 3.47Å; V274-R278 PolarHBondContact O-N 3.31Å
275Q95.2Very high91.8Very high111 Ų11195 Ų9552%0.51946%0.463SS..Hα-helixtrans-63-43.7178-74.2174.4-4.800112.1L271 R272 A277 R278 Q279L271-Q275 WeakPolarHBondContact O-CB 3.35Å; L271-Q275 VanDerWaalsContact O-CG 3.28Å; L271-Q275 WeakPolarHBondContact O-CG 3.29Å; L271-Q275 PolarHBondContact O-N 3.23Å; R272-Q275 PolarHBondContact O-N 2.8Å; Q275-A277 VanDerWaalsContact C-N 3.35Å; Q275-R278 WeakPolarHBondContact O-CB 3.42Å; Q275-R278 PolarHBondContact O-N 2.86Å; Q275-Q279 WeakPolarHBondContact O-CG 3.32Å; Q275-Q279 PolarHBondContact O-N 2.88Å
276S95.3Very high92.4Very high51 Ų5196.9 Ų96.936%0.35748%0.478SS..Hα-helixtrans-65.6-37.3176.372.40000112.2R272 Q273 Q279 R280R272-S276 WeakPolarHBondContact O-CB 3.42Å; R272-S276 PolarHBondContact O-N 2.78Å; R272-S276 PolarHBondContact O-OG 3.24Å; Q273-S276 PolarHBondContact O-N 3.13Å; Q273-S276 PolarHBondContact O-OG 3.24Å; S276-Q279 PolarHBondContact O-N 2.85Å; S276-R280 WeakPolarHBondContact O-CG 3.33Å; S276-R280 PolarHBondContact O-N 2.92Å
277A96Very high93Very high41 Ų41102.1 Ų102.134%0.33950%0.495SS..Hα-helixtrans-64.3-42.1173.800000111.5Q273 V274 Q275 R280 L281Q273-A277 WeakPolarHBondContact O-CB 3.39Å; Q273-A277 PolarHBondContact O-N 3.13Å; V274-A277 PolarHBondContact O-N 3.47Å; Q275-A277 VanDerWaalsContact C-N 3.35Å; A277-R280 PolarHBondContact O-N 3.28Å; A277-L281 PolarHBondContact O-N 3.49Å
278R97.2Very high93.8Very high141 Ų141104.5 Ų104.553%0.53250%0.502SS..Hα-helixtrans-60.1-49.6174-173.2-174.974.9109.3-7.5112V274 Q275 R280 L281 E282V274-R278 PolarHBondContact O-N 3.31Å; Q275-R278 WeakPolarHBondContact O-CB 3.42Å; Q275-R278 PolarHBondContact O-N 2.86Å; R278-R280 VanDerWaalsContact C-N 3.33Å; R278-R280 PolarHBondContact O-N 2.86Å; R278-L281 WeakPolarHBondContact O-CB 3.46Å; R278-L281 PolarHBondContact O-N 3.12Å; R278-L281 VanDerWaalsContact O-N 3.14Å; R278-E282 IonicContact CZ-OE1 3.81Å; R278-E282 IonicContact NE-OE1 3.92Å; R278-E282 IonicContact NH1-OE1 2.92Å; R278-E282 PolarHBondContact NH1-OE1 3.43Å; R278-E282 IonicContact NH1-OE2 3.56Å; R278-E282 WeakPolarHBondContact O-CG 3.43Å; R278-E282 PolarHBondContact O-N 3.1Å
279Q95.9Very high94.4Very high108 Ų108103 Ų10351%0.50550%0.497SS..Hα-helixtrans-60.4-41.4178.6-74.3175.3-22.900112.1Q275 S276 L281 E282 M283Q275-Q279 WeakPolarHBondContact O-CG 3.32Å; Q275-Q279 PolarHBondContact O-N 2.88Å; S276-Q279 PolarHBondContact O-N 2.85Å; Q279-L281 VanDerWaalsContact C-N 3.34Å; Q279-L281 PolarHBondContact O-N 2.93Å; Q279-E282 PolarHBondContact O-N 3.44Å; Q279-M283 WeakPolarHBondContact O-CE 3.3Å; Q279-M283 WeakPolarHBondContact O-CG 3.22Å; Q279-M283 PolarHBondContact O-N 3.49Å
280R95.6Very high95Very high160 Ų160102.7 Ų102.760%0.60451%0.506SS*.Hα-helixtrans-63.2-39.8175-74.6-173.5-61.1123.3-2.9112.3S276 A277 R278 M283 A284S276-R280 WeakPolarHBondContact O-CG 3.33Å; S276-R280 PolarHBondContact O-N 2.92Å; A277-R280 PolarHBondContact O-N 3.28Å; R278-R280 VanDerWaalsContact C-N 3.33Å; R278-R280 PolarHBondContact O-N 2.86Å; R280-M283 HydrophobicContact CG-CE 4.31Å; R280-A284 WeakPolarHBondContact O-CB 3.33Å; R280-A284 PolarHBondContact O-N 3.08Å
281L96.9Very high95.5Very high108 Ų108101.9 Ų101.957%0.56550%0.502SS*.Hα-helixtrans-64.3-46.3176-179.466.2000111.4A277 R278 Q279 A284 M285A277-L281 PolarHBondContact O-N 3.49Å; R278-L281 WeakPolarHBondContact O-CB 3.46Å; R278-L281 PolarHBondContact O-N 3.12Å; R278-L281 VanDerWaalsContact O-N 3.14Å; Q279-L281 VanDerWaalsContact C-N 3.34Å; Q279-L281 PolarHBondContact O-N 2.93Å; L281-A284 PolarHBondContact O-N 2.91Å; L281-M285 HydrophobicContact CD1-CG 4.46Å; L281-M285 HydrophobicContact CD1-SD 4.47Å; L281-M285 HydrophobicContact CG-SD 4.23Å; L281-M285 WeakPolarHBondContact O-CG 3.23Å; L281-M285 PolarHBondContact O-N 3.49Å
282E97.4Very high95.9Very high80 Ų80103.2 Ų103.237%0.37450%0.5SS..Hα-helixtrans-57.6-50.7177.5-73.2169.8179.200111.1R278 Q279 A284 M285 D286R278-E282 IonicContact CZ-OE1 3.81Å; R278-E282 IonicContact NE-OE1 3.92Å; R278-E282 IonicContact NH1-OE1 2.92Å; R278-E282 PolarHBondContact NH1-OE1 3.43Å; R278-E282 IonicContact NH1-OE2 3.56Å; R278-E282 WeakPolarHBondContact O-CG 3.43Å; R278-E282 PolarHBondContact O-N 3.1Å; Q279-E282 PolarHBondContact O-N 3.44Å; E282-A284 VanDerWaalsContact C-N 3.32Å; E282-A284 PolarHBondContact O-N 3.28Å; E282-M285 PolarHBondContact O-N 3.02Å; E282-M285 VanDerWaalsContact O-N 3.16Å; E282-D286 PolarHBondContact O-N 2.91Å
283M96.1Very high96.1Very high122 Ų122100.2 Ų100.260%0.60150%0.498SS*.Hα-helixtrans-60-39.8176.4-71-174.6-71.600113Q279 R280 Y287Q279-M283 WeakPolarHBondContact O-CE 3.3Å; Q279-M283 WeakPolarHBondContact O-CG 3.22Å; Q279-M283 PolarHBondContact O-N 3.49Å; R280-M283 HydrophobicContact CG-CE 4.31Å; M283-Y287 WeakPolarHBondContact O-CB 3.42Å; M283-Y287 PolarHBondContact O-N 3.44Å
284A97.1Very high96.3Very high58 Ų58103.6 Ų103.648%0.47951%0.507SS..Hα-helixtrans-66.7-38.5177.600000111.9R280 L281 E282 Y288R280-A284 WeakPolarHBondContact O-CB 3.33Å; R280-A284 PolarHBondContact O-N 3.08Å; L281-A284 PolarHBondContact O-N 2.91Å; E282-A284 VanDerWaalsContact C-N 3.32Å; E282-A284 PolarHBondContact O-N 3.28Å; A284-Y288 VanDerWaalsContact O-CB 3.31Å; A284-Y288 WeakPolarHBondContact O-CB 3.48Å; A284-Y288 PolarHBondContact O-N 3Å
285M96.5Very high96.4Very high106 Ų106106.1 Ų106.152%0.52251%0.505SS..Hα-helixtrans-66.9-44.5175.5-74.7-177.862.600111.9L281 E282 Y287 Y288 L289L281-M285 HydrophobicContact CD1-CG 4.46Å; L281-M285 HydrophobicContact CD1-SD 4.47Å; L281-M285 HydrophobicContact CG-SD 4.23Å; L281-M285 WeakPolarHBondContact O-CG 3.23Å; L281-M285 PolarHBondContact O-N 3.49Å; E282-M285 PolarHBondContact O-N 3.02Å; E282-M285 VanDerWaalsContact O-N 3.16Å; M285-Y287 VanDerWaalsContact C-N 3.35Å; M285-Y287 PolarHBondContact O-N 3.34Å; M285-Y288 WeakPolarHBondContact O-CB 3.44Å; M285-Y288 PolarHBondContact O-N 3.08Å; M285-L289 WeakPolarHBondContact O-CB 3.47Å; M285-L289 WeakPolarHBondContact O-CG 3.47Å; M285-L289 PolarHBondContact O-N 3.38Å
286D96.8Very high96.4Very high109 Ų109107.3 Ų107.358%0.58351%0.509SS*.Hα-helixtrans-60-46.1176.4-73.4-21.8000111.2E282 Y288 L289 A290E282-D286 PolarHBondContact O-N 2.91Å; D286-Y288 VanDerWaalsContact C-N 3.35Å; D286-Y288 PolarHBondContact O-N 3.12Å; D286-L289 PolarHBondContact O-N 3.23Å; D286-A290 VanDerWaalsContact O-CB 3.27Å; D286-A290 WeakPolarHBondContact O-CB 3.4Å; D286-A290 PolarHBondContact O-N 3.46Å
287Y96.3Very high96.4Very high163 Ų163108.8 Ų108.864%0.63952%0.516SS*.Hα-helixtrans-62.7-41.3176.6-172.7-101.5000112.2M283 M285 N291M283-Y287 WeakPolarHBondContact O-CB 3.42Å; M283-Y287 PolarHBondContact O-N 3.44Å; M285-Y287 VanDerWaalsContact C-N 3.35Å; M285-Y287 PolarHBondContact O-N 3.34Å; Y287-N291 WeakPolarHBondContact CD1-ND2 3.48Å; Y287-N291 WeakPolarHBondContact CE1-ND2 3.3Å; Y287-N291 WeakPolarHBondContact O-CB 3.44Å; Y287-N291 PolarHBondContact O-N 2.83Å; Y287-N291 PolarHBondContact O-ND2 2.94Å
288Y97.3Very high96.4Very high128 Ų128111.5 Ų111.550%0.50252%0.522SS..Hα-helixtrans-60.8-50175.8178.9-90.6000111.4A284 M285 D286 N291 R292A284-Y288 VanDerWaalsContact O-CB 3.31Å; A284-Y288 WeakPolarHBondContact O-CB 3.48Å; A284-Y288 PolarHBondContact O-N 3Å; M285-Y288 WeakPolarHBondContact O-CB 3.44Å; M285-Y288 PolarHBondContact O-N 3.08Å; D286-Y288 VanDerWaalsContact C-N 3.35Å; D286-Y288 PolarHBondContact O-N 3.12Å; Y288-N291 PolarHBondContact O-N 2.83Å; Y288-R292 HydrophobicContact CD1-CG 4.14Å; Y288-R292 HydrophobicContact CE1-CG 3.78Å; Y288-R292 VanDerWaalsContact O-CG 3.28Å; Y288-R292 WeakPolarHBondContact O-CG 3.33Å; Y288-R292 PolarHBondContact O-N 3.48Å; Y288-R292 PolarHBondContact OH-NE 3.28Å; Y288-R292 PolarHBondContact OH-NH2 3.08Å
289L97.2Very high96.2Very high95 Ų95109.4 Ų109.450%0.49752%0.52SS..Hα-helixtrans-65.5-41.3-179.7-71.4173.8000112.1M285 D286 N291 R292 T293M285-L289 WeakPolarHBondContact O-CB 3.47Å; M285-L289 WeakPolarHBondContact O-CG 3.47Å; M285-L289 PolarHBondContact O-N 3.38Å; D286-L289 PolarHBondContact O-N 3.23Å; L289-N291 PolarHBondContact O-N 2.91Å; L289-R292 PolarHBondContact O-N 2.75Å; L289-T293 WeakPolarHBondContact O-CB 3.17Å; L289-T293 PolarHBondContact O-N 3.34Å; L289-T293 PolarHBondContact O-OG1 3.46Å
290A97Very high96Very high58 Ų58108 Ų10848%0.47951%0.513SS..Hα-helixtrans-60.6-44.2175.700000111.6D286 T293 R294D286-A290 VanDerWaalsContact O-CB 3.27Å; D286-A290 WeakPolarHBondContact O-CB 3.4Å; D286-A290 PolarHBondContact O-N 3.46Å; A290-T293 PolarHBondContact O-N 3Å; A290-R294 WeakPolarHBondContact O-CB 3.4Å; A290-R294 PolarHBondContact O-N 3.35Å
291N96.1Very high95.7Very high63 Ų63105 Ų10534%0.33751%0.506SS..Hα-helixtrans-66-40176.7-80.3-26.5000112.9Y287 Y288 L289 R294 R295Y287-N291 WeakPolarHBondContact CD1-ND2 3.48Å; Y287-N291 WeakPolarHBondContact CE1-ND2 3.3Å; Y287-N291 WeakPolarHBondContact O-CB 3.44Å; Y287-N291 PolarHBondContact O-N 2.83Å; Y287-N291 PolarHBondContact O-ND2 2.94Å; Y288-N291 PolarHBondContact O-N 2.83Å; L289-N291 PolarHBondContact O-N 2.91Å; N291-R294 PolarHBondContact O-N 2.84Å; N291-R295 WeakPolarHBondContact O-CB 3.36Å; N291-R295 PolarHBondContact O-N 2.91Å
292R96.7Very high95.3Very high123 Ų123108.8 Ų108.846%0.46451%0.513SS..Hα-helixtrans-63.7-43.8175.1-70-66.6176-175.7-2.7111.5Y288 L289 R295 F296Y288-R292 HydrophobicContact CD1-CG 4.14Å; Y288-R292 HydrophobicContact CE1-CG 3.78Å; Y288-R292 VanDerWaalsContact O-CG 3.28Å; Y288-R292 WeakPolarHBondContact O-CG 3.33Å; Y288-R292 PolarHBondContact O-N 3.48Å; Y288-R292 PolarHBondContact OH-NE 3.28Å; Y288-R292 PolarHBondContact OH-NH2 3.08Å; L289-R292 PolarHBondContact O-N 2.75Å; R292-R295 PolarHBondContact O-N 3.32Å; R292-F296 WeakPolarHBondContact O-CB 3.49Å; R292-F296 PolarHBondContact O-N 2.8Å
293T96.7Very high94.9Very high83 Ų83110.8 Ų110.851%0.50953%0.526SS..Hα-helixtrans-62.3-47.4176.3-55.20000110.9L289 A290 R295 F296 T297L289-T293 WeakPolarHBondContact O-CB 3.17Å; L289-T293 PolarHBondContact O-N 3.34Å; L289-T293 PolarHBondContact O-OG1 3.46Å; A290-T293 PolarHBondContact O-N 3Å; T293-R295 VanDerWaalsContact C-N 3.34Å; T293-R295 PolarHBondContact O-N 3.25Å; T293-F296 WeakPolarHBondContact O-CB 3.48Å; T293-F296 PolarHBondContact O-N 2.93Å; T293-T297 PolarHBondContact O-N 3Å; T293-T297 PolarHBondContact O-OG1 2.75Å
294R95.7Very high94.4Very high168 Ų168109.8 Ų109.863%0.63452%0.519SS*.Hα-helixtrans-57.9-44.9176.3-174.5178.3-177.7-173.71.4112.1A290 N291 T297 Q298A290-R294 WeakPolarHBondContact O-CB 3.4Å; A290-R294 PolarHBondContact O-N 3.35Å; N291-R294 PolarHBondContact O-N 2.84Å; R294-T297 PolarHBondContact O-N 3.48Å; R294-Q298 WeakPolarHBondContact O-CB 3.16Å; R294-Q298 VanDerWaalsContact O-CG 3.25Å; R294-Q298 WeakPolarHBondContact O-CG 3.27Å; R294-Q298 PolarHBondContact O-N 2.75Å
295R95.5Very high93.6Very high152 Ų152109.9 Ų109.957%0.57451%0.51SS*.Hα-helixtrans-64-42.7177.2-174.9175.7177.9176-0.5111.5N291 R292 T293 Q298 I299N291-R295 WeakPolarHBondContact O-CB 3.36Å; N291-R295 PolarHBondContact O-N 2.91Å; R292-R295 PolarHBondContact O-N 3.32Å; T293-R295 VanDerWaalsContact C-N 3.34Å; T293-R295 PolarHBondContact O-N 3.25Å; R295-Q298 PolarHBondContact O-N 2.72Å; R295-I299 HydrophobicContact CG-CD1 3.94Å; R295-I299 WeakPolarHBondContact O-CG1 3.48Å; R295-I299 PolarHBondContact O-N 3.41Å
296F95.9Very high92.8Very high136 Ų136110.2 Ų110.260%0.59651%0.51SS*.Hα-helixtrans-59.8-51.5175.2174.6-96.9000111.1R292 T293 Q298 I299 H300R292-F296 WeakPolarHBondContact O-CB 3.49Å; R292-F296 PolarHBondContact O-N 2.8Å; T293-F296 WeakPolarHBondContact O-CB 3.48Å; T293-F296 PolarHBondContact O-N 2.93Å; F296-Q298 VanDerWaalsContact C-N 3.31Å; F296-Q298 PolarHBondContact O-N 3.39Å; F296-I299 PolarHBondContact O-N 2.75Å; F296-H300 HydrophobicContact CE1-CB 4.43Å; F296-H300 VanDerWaalsContact O-CB 3.27Å; F296-H300 WeakPolarHBondContact O-CB 3.25Å; F296-H300 PolarHBondContact O-N 3.27Å
297T95.3Very high92.1Very high82 Ų82109.3 Ų109.350%0.50350%0.502SS..Hα-helixtrans-60.6-39.3-179.8-49.90000112T293 R294 H301T293-T297 PolarHBondContact O-N 3Å; T293-T297 PolarHBondContact O-OG1 2.75Å; R294-T297 PolarHBondContact O-N 3.48Å; T297-H301 VanDerWaalsContact O-CB 3.25Å; T297-H301 WeakPolarHBondContact O-CB 3.34Å; T297-H301 PolarHBondContact O-N 3.33Å
298Q94.2Very high91.4Very high98 Ų98105.7 Ų105.746%0.45850%0.499SS..Hα-helixtrans-63.6-46175.5-75.4173.4-6.200112.7R294 R295 F296 R302R294-Q298 WeakPolarHBondContact O-CB 3.16Å; R294-Q298 VanDerWaalsContact O-CG 3.25Å; R294-Q298 WeakPolarHBondContact O-CG 3.27Å; R294-Q298 PolarHBondContact O-N 2.75Å; R295-Q298 PolarHBondContact O-N 2.72Å; F296-Q298 VanDerWaalsContact C-N 3.31Å; F296-Q298 PolarHBondContact O-N 3.39Å; Q298-R302 WeakPolarHBondContact O-CG 3.5Å; Q298-R302 PolarHBondContact O-N 3.22Å
299I93.1Very high90.8Very high97 Ų97106.3 Ų106.350%0.49751%0.506SS..Hα-helixtrans-67.9-43.7178.9-66.9169.3000110.1R295 F296 H301 R302 L303R295-I299 HydrophobicContact CG-CD1 3.94Å; R295-I299 WeakPolarHBondContact O-CG1 3.48Å; R295-I299 PolarHBondContact O-N 3.41Å; F296-I299 PolarHBondContact O-N 2.75Å; I299-H301 PolarHBondContact O-N 3.14Å; I299-R302 PolarHBondContact O-N 2.57Å; I299-L303 WeakPolarHBondContact O-CB 3.18Å; I299-L303 PolarHBondContact O-N 3.31Å
300H92.4Very high90.1Very high78 Ų78105.5 Ų105.536%0.36150%0.502SS..Hα-helixtrans-61.5-43.7177.9-169.973.7000111.4F296 L303 Q304F296-H300 HydrophobicContact CE1-CB 4.43Å; F296-H300 VanDerWaalsContact O-CB 3.27Å; F296-H300 WeakPolarHBondContact O-CB 3.25Å; F296-H300 PolarHBondContact O-N 3.27Å; H300-L303 WeakPolarHBondContact O-CB 3.25Å; H300-L303 PolarHBondContact O-N 3.37Å; H300-Q304 PolarHBondContact CD2-NE2 3.29Å; H300-Q304 PolarHBondContact NE2-NE2 3.22Å; H300-Q304 WeakPolarHBondContact O-CG 3.45Å; H300-Q304 PolarHBondContact O-N 3.14Å
301H90.1Very high89.5Confident97 Ų97108.8 Ų108.845%0.44950%0.502SS..Hα-helixtrans-63.8-43.2175.4-171.666.5000112T297 I299 L303 Q304 Q305T297-H301 VanDerWaalsContact O-CB 3.25Å; T297-H301 WeakPolarHBondContact O-CB 3.34Å; T297-H301 PolarHBondContact O-N 3.33Å; I299-H301 PolarHBondContact O-N 3.14Å; H301-L303 VanDerWaalsContact C-N 3.3Å; H301-L303 PolarHBondContact O-N 2.95Å; H301-Q304 PolarHBondContact O-N 3.25Å; H301-Q305 PolarHBondContact CE1-NE2 2.79Å; H301-Q305 VanDerWaalsContact CE1-NE2 3.29Å; H301-Q305 PolarHBondContact NE2-NE2 2.98Å; H301-Q305 VanDerWaalsContact O-CG 3.25Å; H301-Q305 WeakPolarHBondContact O-CG 3.32Å; H301-Q305 PolarHBondContact O-N 3.27Å
302R87.9Confident89.1Confident189 Ų189110.3 Ų110.371%0.71351%0.51SS*.Hα-helixtrans-59.6-41.4174.2-75.4178.8-178.7-173.71.4111.8Q298 I299 Q305 Q306Q298-R302 WeakPolarHBondContact O-CG 3.5Å; Q298-R302 PolarHBondContact O-N 3.22Å; I299-R302 PolarHBondContact O-N 2.57Å; R302-Q305 PolarHBondContact O-N 2.88Å; R302-Q306 WeakPolarHBondContact O-CG 3.38Å; R302-Q306 PolarHBondContact O-N 3.19Å; R302-Q306 VanDerWaalsContact O-N 3.14Å
303L88Confident88.7Confident122 Ų122106.5 Ų106.564%0.63951%0.505SS*.Hα-helixtrans-62.8-46.6176.7-177.764.3000111.4I299 H300 H301 Q305 Q306 H307I299-L303 WeakPolarHBondContact O-CB 3.18Å; I299-L303 PolarHBondContact O-N 3.31Å; H300-L303 WeakPolarHBondContact O-CB 3.25Å; H300-L303 PolarHBondContact O-N 3.37Å; H301-L303 VanDerWaalsContact C-N 3.3Å; H301-L303 PolarHBondContact O-N 2.95Å; L303-Q305 VanDerWaalsContact C-N 3.33Å; L303-Q305 PolarHBondContact O-N 2.75Å; L303-Q306 PolarHBondContact O-N 3.22Å; L303-Q306 VanDerWaalsContact O-N 3.1Å; L303-H307 PolarHBondContact O-N 3.29Å
304Q86Confident88.3Confident100 Ų100109.6 Ų109.647%0.46751%0.507SS..Hα-helixtrans-60.3-40.4175.3-72.6-179-15.700112.1H300 H301 Q306 H307 L310H300-Q304 PolarHBondContact CD2-NE2 3.29Å; H300-Q304 PolarHBondContact NE2-NE2 3.22Å; H300-Q304 WeakPolarHBondContact O-CG 3.45Å; H300-Q304 PolarHBondContact O-N 3.14Å; H301-Q304 PolarHBondContact O-N 3.25Å; Q304-Q306 PolarHBondContact O-N 2.92Å; Q304-H307 WeakPolarHBondContact O-CB 3.23Å; Q304-H307 PolarHBondContact O-N 3.48Å; Q304-L310 WeakPolarHBondContact O-CD1 3.43Å
305Q80.9Confident88Confident61 Ų61107.1 Ų107.129%0.28550%0.502SS..Hα-helixtrans-67.8-20.6177-68.2-63.9-29.500113.6H301 R302 L303 H307H301-Q305 PolarHBondContact CE1-NE2 2.79Å; H301-Q305 VanDerWaalsContact CE1-NE2 3.29Å; H301-Q305 PolarHBondContact NE2-NE2 2.98Å; H301-Q305 VanDerWaalsContact O-CG 3.25Å; H301-Q305 WeakPolarHBondContact O-CG 3.32Å; H301-Q305 PolarHBondContact O-N 3.27Å; R302-Q305 PolarHBondContact O-N 2.88Å; L303-Q305 VanDerWaalsContact C-N 3.33Å; L303-Q305 PolarHBondContact O-N 2.75Å; Q305-H307 VanDerWaalsContact C-N 3.32Å
306Q80.2Confident87.9Confident113 Ų113105.6 Ų105.653%0.52850%0.502SS..THydrogen-bonded Turntrans-88.22.1173.9-67.4-65.3-30.200112.8R302 L303 Q304 R311R302-Q306 WeakPolarHBondContact O-CG 3.38Å; R302-Q306 PolarHBondContact O-N 3.19Å; R302-Q306 VanDerWaalsContact O-N 3.14Å; L303-Q306 PolarHBondContact O-N 3.22Å; L303-Q306 VanDerWaalsContact O-N 3.1Å; Q304-Q306 PolarHBondContact O-N 2.92Å; Q306-R311 WeakPolarHBondContact O-CD 3.36Å
307H80.8Confident87.7Confident89 Ų89103.5 Ų103.541%0.41250%0.5SS..  trans-54126.5-179.7-166-98.9000110.4L303 Q304 Q305 Q309 L310 R311L303-H307 PolarHBondContact O-N 3.29Å; Q304-H307 WeakPolarHBondContact O-CB 3.23Å; Q304-H307 PolarHBondContact O-N 3.48Å; Q305-H307 VanDerWaalsContact C-N 3.32Å; H307-Q309 PolarHBondContact CE1-OE1 2.9Å; H307-Q309 PolarHBondContact O-N 2.91Å; H307-Q309 VanDerWaalsContact O-N 3.08Å; H307-L310 HydrophobicContact CB-CD1 4.35Å; H307-L310 HydrophobicContact CB-CG 4.47Å; H307-L310 PolarHBondContact O-N 3.02Å; H307-R311 PolarHBondContact O-N 3.4Å; H307-R311 VanDerWaalsContact O-N 3.08Å
308P82.7Confident87.7Confident87 Ų87104.4 Ų104.457%0.56550%0.5SS*.Hα-helixtrans-52.5-37.7-173-29.634.6000113.5L310 R311 L312P308-L310 PolarHBondContact O-N 3.46Å; P308-R311 PolarHBondContact O-N 3.19Å; P308-L312 WeakPolarHBondContact O-CB 3.35Å; P308-L312 VanDerWaalsContact O-CG 3.25Å; P308-L312 WeakPolarHBondContact O-CG 3.38Å; P308-L312 PolarHBondContact O-N 2.85Å
309Q84.6Confident87.7Confident141 Ų141104.2 Ų104.266%0.65950%0.502SS*.Hα-helixtrans-64.5-39.4177.4-64.3174.9-12.100112.8H307 L312 A313H307-Q309 PolarHBondContact CE1-OE1 2.9Å; H307-Q309 PolarHBondContact O-N 2.91Å; H307-Q309 VanDerWaalsContact O-N 3.08Å; Q309-L312 PolarHBondContact O-N 3.31Å; Q309-A313 VanDerWaalsContact O-CB 3.26Å; Q309-A313 WeakPolarHBondContact O-CB 3.23Å; Q309-A313 PolarHBondContact O-N 2.89Å
310L81.9Confident87.9Confident79 Ų79105.1 Ų105.141%0.41450%0.504SS..Hα-helixtrans-69.7-37.7176.2-72176.1000111.4Q304 H307 P308 A313 R314Q304-L310 WeakPolarHBondContact O-CD1 3.43Å; H307-L310 HydrophobicContact CB-CD1 4.35Å; H307-L310 HydrophobicContact CB-CG 4.47Å; H307-L310 PolarHBondContact O-N 3.02Å; P308-L310 PolarHBondContact O-N 3.46Å; L310-A313 PolarHBondContact O-N 2.94Å; L310-R314 WeakPolarHBondContact O-CG 3.11Å; L310-R314 PolarHBondContact O-N 3.37Å
311R83.9Confident88Confident127 Ų127109.8 Ų109.848%0.47952%0.518SS..Hα-helixtrans-63.5-46.9174.2-69-176.564.8-178.8-2.2111.2Q306 H307 P308 R314 Q315Q306-R311 WeakPolarHBondContact O-CD 3.36Å; H307-R311 PolarHBondContact O-N 3.4Å; H307-R311 VanDerWaalsContact O-N 3.08Å; P308-R311 PolarHBondContact O-N 3.19Å; R311-R314 PolarHBondContact O-N 3.04Å; R311-Q315 WeakPolarHBondContact O-CB 3.34Å; R311-Q315 VanDerWaalsContact O-CG 3.32Å; R311-Q315 WeakPolarHBondContact O-CG 3.35Å; R311-Q315 PolarHBondContact O-N 3.07Å
312L88.2Confident88.3Confident95 Ų95109 Ų10950%0.49752%0.517SS..Hα-helixtrans-62.6-43.9176.3-72.5170.3000111.2P308 Q309 R314 Q315 Q316P308-L312 WeakPolarHBondContact O-CB 3.35Å; P308-L312 VanDerWaalsContact O-CG 3.25Å; P308-L312 WeakPolarHBondContact O-CG 3.38Å; P308-L312 PolarHBondContact O-N 2.85Å; Q309-L312 PolarHBondContact O-N 3.31Å; L312-R314 PolarHBondContact O-N 3.43Å; L312-Q315 PolarHBondContact O-N 2.98Å; L312-Q316 WeakPolarHBondContact O-CB 3.49Å; L312-Q316 VanDerWaalsContact O-CG 3.31Å; L312-Q316 WeakPolarHBondContact O-CG 3.45Å; L312-Q316 PolarHBondContact O-N 3.09Å
313A88.8Confident88.7Confident43 Ų43106.4 Ų106.436%0.35551%0.511SS..Hα-helixtrans-59.6-46.5176.200000111.8Q309 L310 Q315 Q316 T317Q309-A313 VanDerWaalsContact O-CB 3.26Å; Q309-A313 WeakPolarHBondContact O-CB 3.23Å; Q309-A313 PolarHBondContact O-N 2.89Å; L310-A313 PolarHBondContact O-N 2.94Å; A313-Q315 VanDerWaalsContact C-N 3.34Å; A313-Q315 PolarHBondContact O-N 3.46Å; A313-Q316 PolarHBondContact O-N 2.84Å; A313-T317 PolarHBondContact O-N 3.13Å; A313-T317 PolarHBondContact O-OG1 2.54Å
314R87.2Confident89.1Confident148 Ų148106.9 Ų106.956%0.55851%0.508SS*.Hα-helixtrans-60.7-42.1175-75.3-178.6-173.7162.59112.3L310 R311 L312 M318L310-R314 WeakPolarHBondContact O-CG 3.11Å; L310-R314 PolarHBondContact O-N 3.37Å; R311-R314 PolarHBondContact O-N 3.04Å; L312-R314 PolarHBondContact O-N 3.43Å; R314-M318 WeakPolarHBondContact O-CB 3.37Å; R314-M318 PolarHBondContact O-N 3.13Å
315Q89.9Confident89.5Confident115 Ų115110.3 Ų110.354%0.53752%0.516SS..Hα-helixtrans-66.6-39.6177.6-74.7176.9-1800111.8R311 L312 A313 M318 L319R311-Q315 WeakPolarHBondContact O-CB 3.34Å; R311-Q315 VanDerWaalsContact O-CG 3.32Å; R311-Q315 WeakPolarHBondContact O-CG 3.35Å; R311-Q315 PolarHBondContact O-N 3.07Å; L312-Q315 PolarHBondContact O-N 2.98Å; A313-Q315 VanDerWaalsContact C-N 3.34Å; A313-Q315 PolarHBondContact O-N 3.46Å; Q315-M318 PolarHBondContact O-N 3.04Å; Q315-L319 WeakPolarHBondContact O-CB 3.33Å; Q315-L319 PolarHBondContact O-N 3.37Å
316Q93Very high90.2Very high121 Ų121113.8 Ų113.857%0.56553%0.534SS*.Hα-helixtrans-62.4-48.1174.5-76.2174.9-16.100111.2L312 A313 M318 L319 E320L312-Q316 WeakPolarHBondContact O-CB 3.49Å; L312-Q316 VanDerWaalsContact O-CG 3.31Å; L312-Q316 WeakPolarHBondContact O-CG 3.45Å; L312-Q316 PolarHBondContact O-N 3.09Å; A313-Q316 PolarHBondContact O-N 2.84Å; Q316-M318 VanDerWaalsContact C-N 3.3Å; Q316-M318 PolarHBondContact O-N 2.98Å; Q316-L319 WeakPolarHBondContact O-CB 3.25Å; Q316-L319 PolarHBondContact O-N 2.78Å; Q316-E320 WeakPolarHBondContact O-CG 3.15Å; Q316-E320 PolarHBondContact O-N 3.1Å
317T93.3Very high91Very high92 Ų92110.8 Ų110.856%0.56453%0.525SS*.Hα-helixtrans-60.6-40176-50.80000111.9A313 E320 R321A313-T317 PolarHBondContact O-N 3.13Å; A313-T317 PolarHBondContact O-OG1 2.54Å; T317-E320 PolarHBondContact O-N 3.22Å; T317-R321 WeakPolarHBondContact O-CB 3.08Å; T317-R321 PolarHBondContact O-N 2.75Å
318M94.3Very high91.7Very high100 Ų100112.5 Ų112.549%0.49353%0.532SS..Hα-helixtrans-65.3-42.7176.1-174.260.4178.500111.6R314 Q315 Q316 R321 L322R314-M318 WeakPolarHBondContact O-CB 3.37Å; R314-M318 PolarHBondContact O-N 3.13Å; Q315-M318 PolarHBondContact O-N 3.04Å; Q316-M318 VanDerWaalsContact C-N 3.3Å; Q316-M318 PolarHBondContact O-N 2.98Å; M318-R321 PolarHBondContact O-N 3.26Å; M318-L322 HydrophobicContact CE-CD1 4.07Å; M318-L322 HydrophobicContact CE-CD2 4.13Å; M318-L322 HydrophobicContact CE-CG 4.06Å; M318-L322 HydrophobicContact CG-CD1 4.24Å; M318-L322 WeakPolarHBondContact O-CB 3.31Å; M318-L322 WeakPolarHBondContact O-CG 3.41Å; M318-L322 PolarHBondContact O-N 3.32Å
319L95.3Very high92.4Very high94 Ų94111.1 Ų111.149%0.49253%0.528SS..Hα-helixtrans-60.6-46.1176.3-177.668.6000111.1Q315 Q316 R321 L322 K323Q315-L319 WeakPolarHBondContact O-CB 3.33Å; Q315-L319 PolarHBondContact O-N 3.37Å; Q316-L319 WeakPolarHBondContact O-CB 3.25Å; Q316-L319 PolarHBondContact O-N 2.78Å; L319-R321 VanDerWaalsContact C-N 3.34Å; L319-R321 PolarHBondContact O-N 2.89Å; L319-L322 PolarHBondContact O-N 3.47Å; L319-K323 HydrophobicContact CG-CD 4.41Å; L319-K323 WeakPolarHBondContact O-CB 3.29Å; L319-K323 WeakPolarHBondContact O-CG 3.47Å; L319-K323 PolarHBondContact O-N 3.09Å
320E96Very high92.9Very high116 Ų116108.9 Ų108.954%0.54252%0.52SS..Hα-helixtrans-60.7-42.7176.1-73.8-178.9177.300112.2Q316 T317 K323 K324Q316-E320 WeakPolarHBondContact O-CG 3.15Å; Q316-E320 PolarHBondContact O-N 3.1Å; T317-E320 PolarHBondContact O-N 3.22Å; E320-K323 PolarHBondContact O-N 3.49Å; E320-K324 WeakPolarHBondContact O-CG 3.39Å; E320-K324 PolarHBondContact O-N 3.16Å
321R95.4Very high93.6Very high177 Ų177110.6 Ų110.667%0.66853%0.526SS*.Hα-helixtrans-63.4-42.9177-164.8180-154176.37.7111.7T317 M318 L319 R325T317-R321 WeakPolarHBondContact O-CB 3.08Å; T317-R321 PolarHBondContact O-N 2.75Å; M318-R321 PolarHBondContact O-N 3.26Å; L319-R321 VanDerWaalsContact C-N 3.34Å; L319-R321 PolarHBondContact O-N 2.89Å; R321-R325 WeakPolarHBondContact O-CG 3.32Å; R321-R325 PolarHBondContact O-N 3.44Å
322L96.1Very high94.2Very high81 Ų81108.5 Ų108.542%0.42452%0.524SS..Hα-helixtrans-65.8-42.7177-73.4174.2000111.7M318 L319 K324 R325 M326M318-L322 HydrophobicContact CE-CD1 4.07Å; M318-L322 HydrophobicContact CE-CD2 4.13Å; M318-L322 HydrophobicContact CE-CG 4.06Å; M318-L322 HydrophobicContact CG-CD1 4.24Å; M318-L322 WeakPolarHBondContact O-CB 3.31Å; M318-L322 WeakPolarHBondContact O-CG 3.41Å; M318-L322 PolarHBondContact O-N 3.32Å; L319-L322 PolarHBondContact O-N 3.47Å; L322-K324 PolarHBondContact O-N 3.42Å; L322-R325 PolarHBondContact O-N 3.2Å; L322-M326 WeakPolarHBondContact O-CB 3.27Å; L322-M326 PolarHBondContact O-N 3.37Å
323K96.5Very high94.6Very high133 Ų133110.4 Ų110.458%0.57853%0.531SS*.Hα-helixtrans-58.2-47.8174.6-77-179.7177.3-175.90111.8L319 E320 R325 M326 S327L319-K323 HydrophobicContact CG-CD 4.41Å; L319-K323 WeakPolarHBondContact O-CB 3.29Å; L319-K323 WeakPolarHBondContact O-CG 3.47Å; L319-K323 PolarHBondContact O-N 3.09Å; E320-K323 PolarHBondContact O-N 3.49Å; K323-R325 PolarHBondContact O-N 3.24Å; K323-M326 PolarHBondContact O-N 2.88Å; K323-S327 PolarHBondContact O-N 3.42Å
324K95.6Very high94.9Very high133 Ų133113.9 Ų113.958%0.57854%0.543SS*.Hα-helixtrans-61.6-43.7175.9-72.9178.4179.5176.70112E320 L322 M326 S327 F328E320-K324 WeakPolarHBondContact O-CG 3.39Å; E320-K324 PolarHBondContact O-N 3.16Å; L322-K324 PolarHBondContact O-N 3.42Å; K324-M326 VanDerWaalsContact C-N 3.32Å; K324-M326 PolarHBondContact O-N 3.2Å; K324-S327 PolarHBondContact O-N 3.14Å; K324-S327 PolarHBondContact O-OG 3.41Å; K324-F328 WeakPolarHBondContact O-CD2 3.35Å; K324-F328 PolarHBondContact O-N 3.07Å
325R95.3Very high95.4Very high171 Ų171113.3 Ų113.365%0.64554%0.544SS*.Hα-helixtrans-61.8-40.7176.4-75.9179.568.5-167.11.1112.1R321 L322 K323 A329R321-R325 WeakPolarHBondContact O-CG 3.32Å; R321-R325 PolarHBondContact O-N 3.44Å; L322-R325 PolarHBondContact O-N 3.2Å; K323-R325 PolarHBondContact O-N 3.24Å; R325-A329 WeakPolarHBondContact O-CB 3.46Å; R325-A329 PolarHBondContact O-N 3.18Å
326M96Very high95.6Very high135 Ų135116.5 Ų116.567%0.66555%0.551SS**Hα-helixtrans-63.6-46.9176.4177.9-175.4157.800111.1L322 K323 K324 F328 A329 L330L322-M326 WeakPolarHBondContact O-CB 3.27Å; L322-M326 PolarHBondContact O-N 3.37Å; K323-M326 PolarHBondContact O-N 2.88Å; K324-M326 VanDerWaalsContact C-N 3.32Å; K324-M326 PolarHBondContact O-N 3.2Å; M326-F328 PolarHBondContact O-N 3.42Å; M326-A329 PolarHBondContact O-N 3.12Å; M326-L330 WeakPolarHBondContact O-CB 3.41Å; M326-L330 PolarHBondContact O-N 3.14Å
327S96.7Very high95.8Very high49 Ų49113.2 Ų113.234%0.34355%0.545SS..Hα-helixtrans-61.4-46.7178.967.40000111.4K323 K324 A329 L330 E331K323-S327 PolarHBondContact O-N 3.42Å; K324-S327 PolarHBondContact O-N 3.14Å; K324-S327 PolarHBondContact O-OG 3.41Å; S327-A329 VanDerWaalsContact C-N 3.33Å; S327-A329 PolarHBondContact O-N 2.95Å; S327-L330 PolarHBondContact O-N 3.5Å; S327-E331 WeakPolarHBondContact O-CB 3.17Å; S327-E331 WeakPolarHBondContact O-CG 3.44Å; S327-E331 PolarHBondContact O-N 3.04Å
328F95.6Very high95.9Very high126 Ų126110.3 Ų110.355%0.55353%0.534SS*.Hα-helixtrans-61.1-38.7175.3-81.4-62.9000113K324 M326 N332K324-F328 WeakPolarHBondContact O-CD2 3.35Å; K324-F328 PolarHBondContact O-N 3.07Å; M326-F328 PolarHBondContact O-N 3.42Å; F328-N332 VanDerWaalsContact O-CB 3.31Å; F328-N332 WeakPolarHBondContact O-CB 3.47Å; F328-N332 VanDerWaalsContact O-CG 3.29Å; F328-N332 PolarHBondContact O-N 3.07Å; F328-N332 PolarHBondContact O-ND2 3.22Å
329A96.6Very high95.9Very high58 Ų58109.8 Ų109.848%0.47953%0.53SS..Hα-helixtrans-65.7-43.8177.200000111.4R325 M326 S327 N332 Q333R325-A329 WeakPolarHBondContact O-CB 3.46Å; R325-A329 PolarHBondContact O-N 3.18Å; M326-A329 PolarHBondContact O-N 3.12Å; S327-A329 VanDerWaalsContact C-N 3.33Å; S327-A329 PolarHBondContact O-N 2.95Å; A329-N332 PolarHBondContact O-N 2.98Å; A329-Q333 WeakPolarHBondContact O-CB 3.38Å; A329-Q333 PolarHBondContact O-N 2.7Å
330L96.1Very high95.9Very high93 Ų93110.9 Ų110.949%0.48753%0.532SS..Hα-helixtrans-64.7-47.4178.4-171.171.4000111.6M326 S327 N332 Q333 L334M326-L330 WeakPolarHBondContact O-CB 3.41Å; M326-L330 PolarHBondContact O-N 3.14Å; S327-L330 PolarHBondContact O-N 3.5Å; L330-N332 VanDerWaalsContact C-N 3.32Å; L330-N332 PolarHBondContact O-N 3.07Å; L330-Q333 PolarHBondContact O-N 2.92Å; L330-L334 HydrophobicContact CG-CD1 4.3Å; L330-L334 WeakPolarHBondContact O-CG 3.47Å; L330-L334 PolarHBondContact O-N 3.34Å
331E96.8Very high95.9Very high115 Ų115111.7 Ų111.754%0.53754%0.536SS..Hα-helixtrans-58.1-44.2175.9-76.3172.8-162.900111.7S327 Q333 L334 K335S327-E331 WeakPolarHBondContact O-CB 3.17Å; S327-E331 WeakPolarHBondContact O-CG 3.44Å; S327-E331 PolarHBondContact O-N 3.04Å; E331-Q333 PolarHBondContact O-N 3.41Å; E331-L334 PolarHBondContact O-N 3.36Å; E331-K335 VanDerWaalsContact O-CB 3.3Å; E331-K335 WeakPolarHBondContact O-CB 3.44Å; E331-K335 PolarHBondContact O-N 3.21Å
332N95.8Very high95.9Very high84 Ų84108.8 Ų108.845%0.44953%0.53SS..Hα-helixtrans-65.7-37.9176.9-79.4-45.8000112.5F328 A329 L330 R336F328-N332 VanDerWaalsContact O-CB 3.31Å; F328-N332 WeakPolarHBondContact O-CB 3.47Å; F328-N332 VanDerWaalsContact O-CG 3.29Å; F328-N332 PolarHBondContact O-N 3.07Å; F328-N332 PolarHBondContact O-ND2 3.22Å; A329-N332 PolarHBondContact O-N 2.98Å; L330-N332 VanDerWaalsContact C-N 3.32Å; L330-N332 PolarHBondContact O-N 3.07Å; N332-R336 WeakPolarHBondContact O-CB 3.35Å; N332-R336 VanDerWaalsContact O-CG 3.28Å; N332-R336 WeakPolarHBondContact O-CG 3.25Å; N332-R336 PolarHBondContact O-N 3.17Å
333Q96.5Very high95.8Very high135 Ų135111.9 Ų111.963%0.63154%0.536SS*.Hα-helixtrans-65.8-45.7176.5-174.3173.8-0.700111.3A329 L330 E331 R336 A337A329-Q333 WeakPolarHBondContact O-CB 3.38Å; A329-Q333 PolarHBondContact O-N 2.7Å; L330-Q333 PolarHBondContact O-N 2.92Å; E331-Q333 PolarHBondContact O-N 3.41Å; Q333-R336 PolarHBondContact O-N 3.12Å; Q333-A337 WeakPolarHBondContact O-CB 3.12Å; Q333-A337 PolarHBondContact O-N 3.1Å
334L95.9Very high95.7Very high116 Ų116110.3 Ų110.361%0.60753%0.534SS*.Hα-helixtrans-61.7-43.8175.5-71171.7000111.5L330 E331 R336 A337 G338L330-L334 HydrophobicContact CG-CD1 4.3Å; L330-L334 WeakPolarHBondContact O-CG 3.47Å; L330-L334 PolarHBondContact O-N 3.34Å; E331-L334 PolarHBondContact O-N 3.36Å; L334-R336 PolarHBondContact O-N 3.19Å; L334-A337 PolarHBondContact O-N 3.25Å; L334-G338 PolarHBondContact O-N 3.32Å
335K96.1Very high95.6Very high136 Ų136107 Ų10759%0.59153%0.525SS*.Hα-helixtrans-60.8-43.4176-174.3175.3-178.5177.10112E331 G338 Q339E331-K335 VanDerWaalsContact O-CB 3.3Å; E331-K335 WeakPolarHBondContact O-CB 3.44Å; E331-K335 PolarHBondContact O-N 3.21Å; K335-G338 PolarHBondContact O-N 3.17Å; K335-Q339 WeakPolarHBondContact O-CB 3.43Å; K335-Q339 VanDerWaalsContact O-CG 3.29Å; K335-Q339 WeakPolarHBondContact O-CG 3.43Å; K335-Q339 PolarHBondContact O-N 3.38Å
336R95.7Very high95.5Very high181 Ų181103.4 Ų103.468%0.68352%0.515SS*.Hα-helixtrans-63.2-43.4175.8-76.1175.3-177.3-175.81.7111.7N332 Q333 L334 Q339 Q340N332-R336 WeakPolarHBondContact O-CB 3.35Å; N332-R336 VanDerWaalsContact O-CG 3.28Å; N332-R336 WeakPolarHBondContact O-CG 3.25Å; N332-R336 PolarHBondContact O-N 3.17Å; Q333-R336 PolarHBondContact O-N 3.12Å; L334-R336 PolarHBondContact O-N 3.19Å; R336-Q339 PolarHBondContact O-N 2.74Å; R336-Q340 WeakPolarHBondContact O-CB 3.38Å; R336-Q340 PolarHBondContact O-N 2.86Å
337A95.6Very high95.2Very high53 Ų53105.2 Ų105.244%0.43852%0.515SS..Hα-helixtrans-62.2-45.517700000111.4Q333 L334 Q339 Q340 Q341Q333-A337 WeakPolarHBondContact O-CB 3.12Å; Q333-A337 PolarHBondContact O-N 3.1Å; L334-A337 PolarHBondContact O-N 3.25Å; A337-Q339 PolarHBondContact O-N 3.39Å; A337-Q340 PolarHBondContact O-N 2.87Å; A337-Q341 PolarHBondContact O-N 2.92Å
338G96Very high94.9Very high31 Ų31108.9 Ų108.932%0.3253%0.53SS..Hα-helixtrans-61.7-42.7175.400000113L334 K335 Q340 Q341 Q342L334-G338 PolarHBondContact O-N 3.32Å; K335-G338 PolarHBondContact O-N 3.17Å; G338-Q340 VanDerWaalsContact C-N 3.33Å; G338-Q340 PolarHBondContact O-N 3.09Å; G338-Q341 PolarHBondContact O-N 2.82Å; G338-Q342 WeakPolarHBondContact O-CB 3.24Å; G338-Q342 PolarHBondContact O-N 3.22Å
339Q95.2Very high94.6Very high88 Ų88108 Ų10841%0.41153%0.53SS..Hα-helixtrans-65.6-33.7174.5-73.8176.3-12.200112.9K335 R336 A337 R343K335-Q339 WeakPolarHBondContact O-CB 3.43Å; K335-Q339 VanDerWaalsContact O-CG 3.29Å; K335-Q339 WeakPolarHBondContact O-CG 3.43Å; K335-Q339 PolarHBondContact O-N 3.38Å; R336-Q339 PolarHBondContact O-N 2.74Å; A337-Q339 PolarHBondContact O-N 3.39Å; Q339-R343 WeakPolarHBondContact O-CB 3.35Å; Q339-R343 VanDerWaalsContact O-CG 3.28Å; Q339-R343 WeakPolarHBondContact O-CG 3.19Å; Q339-R343 PolarHBondContact O-N 2.99Å; Q339-R343 VanDerWaalsContact O-N 3.09Å; Q339-R343 PolarHBondContact O-NE 3.09Å; Q339-R343 VanDerWaalsContact O-NE 3.09Å
340Q95.3Very high94.1Very high117 Ų117112.5 Ų112.555%0.54754%0.542SS..Hα-helixtrans-69.1-45.2174.6-176.5174.7-0.800110.9R336 A337 G338 R343 L344R336-Q340 WeakPolarHBondContact O-CB 3.38Å; R336-Q340 PolarHBondContact O-N 2.86Å; A337-Q340 PolarHBondContact O-N 2.87Å; G338-Q340 VanDerWaalsContact C-N 3.33Å; G338-Q340 PolarHBondContact O-N 3.09Å; Q340-R343 PolarHBondContact O-N 2.9Å; Q340-L344 HydrophobicContact CG-CD1 4.21Å; Q340-L344 WeakPolarHBondContact O-CG 3.16Å; Q340-L344 PolarHBondContact O-N 3.46Å
341Q95.6Very high93.6Very high133 Ų133114.8 Ų114.862%0.62155%0.55SS**Hα-helixtrans-56.6-51.4173.8-175.4-158-3.200110.6A337 G338 R343 L344 T345A337-Q341 PolarHBondContact O-N 2.92Å; G338-Q341 PolarHBondContact O-N 2.82Å; Q341-R343 VanDerWaalsContact C-N 3.32Å; Q341-R343 PolarHBondContact O-N 2.72Å; Q341-L344 PolarHBondContact O-N 2.83Å; Q341-L344 VanDerWaalsContact O-N 3.11Å; Q341-T345 PolarHBondContact O-N 3.24Å; Q341-T345 PolarHBondContact O-OG1 3.4Å; Q341-T345 VanDerWaalsContact O-OG1 3.08Å
342Q95.2Very high93Very high117 Ų117113 Ų11355%0.54754%0.544SS..Hα-helixtrans-59.2-42-179.7-171.9179.91.200112G338 T345 Q346G338-Q342 WeakPolarHBondContact O-CB 3.24Å; G338-Q342 PolarHBondContact O-N 3.22Å; Q342-T345 PolarHBondContact O-N 2.95Å; Q342-Q346 WeakPolarHBondContact O-CB 3.33Å; Q342-Q346 VanDerWaalsContact O-CG 3.29Å; Q342-Q346 WeakPolarHBondContact O-CG 3.17Å; Q342-Q346 PolarHBondContact O-N 3.08Å
343R94.4Very high92.7Very high145 Ų145112.5 Ų112.555%0.54755%0.546SS..Hα-helixtrans-63.1-42.5175.2-78.7-179-76176.9-3.9112.1Q339 Q340 Q341 Q346 R347Q339-R343 WeakPolarHBondContact O-CB 3.35Å; Q339-R343 VanDerWaalsContact O-CG 3.28Å; Q339-R343 WeakPolarHBondContact O-CG 3.19Å; Q339-R343 PolarHBondContact O-N 2.99Å; Q339-R343 VanDerWaalsContact O-N 3.09Å; Q339-R343 PolarHBondContact O-NE 3.09Å; Q339-R343 VanDerWaalsContact O-NE 3.09Å; Q340-R343 PolarHBondContact O-N 2.9Å; Q341-R343 VanDerWaalsContact C-N 3.32Å; Q341-R343 PolarHBondContact O-N 2.72Å; R343-Q346 PolarHBondContact O-N 3.21Å; R343-R347 WeakPolarHBondContact O-CG 2.92Å; R343-R347 PolarHBondContact O-N 3.04Å
344L93.6Very high92.3Very high101 Ų101111.6 Ų111.653%0.52954%0.541SS..Hα-helixtrans-65-43.9176.7-72171.5000111.4Q340 Q341 R347 L348Q340-L344 HydrophobicContact CG-CD1 4.21Å; Q340-L344 WeakPolarHBondContact O-CG 3.16Å; Q340-L344 PolarHBondContact O-N 3.46Å; Q341-L344 PolarHBondContact O-N 2.83Å; Q341-L344 VanDerWaalsContact O-N 3.11Å; L344-R347 PolarHBondContact O-N 3.43Å; L344-L348 WeakPolarHBondContact O-CB 3.43Å; L344-L348 PolarHBondContact O-N 2.83Å
345T94.1Very high91.8Very high63 Ų63109.6 Ų109.639%0.38754%0.535SS..Hα-helixtrans-62.7-42.3175.4-55.90000111.8Q341 Q342 L348 N349Q341-T345 PolarHBondContact O-N 3.24Å; Q341-T345 PolarHBondContact O-OG1 3.4Å; Q341-T345 VanDerWaalsContact O-OG1 3.08Å; Q342-T345 PolarHBondContact O-N 2.95Å; T345-L348 PolarHBondContact O-N 2.93Å; T345-N349 WeakPolarHBondContact O-CB 3.35Å; T345-N349 VanDerWaalsContact O-CG 3.27Å; T345-N349 PolarHBondContact O-N 3.28Å
346Q92.5Very high91.4Very high96 Ų96110.1 Ų110.145%0.44954%0.537SS..Hα-helixtrans-62.5-44.2174.9-76.7174.7-9.200111.9Q342 R343 L348 N349 Q350Q342-Q346 WeakPolarHBondContact O-CB 3.33Å; Q342-Q346 VanDerWaalsContact O-CG 3.29Å; Q342-Q346 WeakPolarHBondContact O-CG 3.17Å; Q342-Q346 PolarHBondContact O-N 3.08Å; R343-Q346 PolarHBondContact O-N 3.21Å; Q346-L348 VanDerWaalsContact C-N 3.35Å; Q346-L348 PolarHBondContact O-N 2.99Å; Q346-N349 PolarHBondContact O-N 2.77Å; Q346-Q350 WeakPolarHBondContact O-CB 3.25Å; Q346-Q350 VanDerWaalsContact O-CG 3.26Å; Q346-Q350 WeakPolarHBondContact O-CG 3.2Å; Q346-Q350 PolarHBondContact O-N 3.33Å
347R90.9Very high91.1Very high173 Ų173105 Ų10565%0.65352%0.523SS*.Hα-helixtrans-62.2-41.4175.1-73.8-177.375.2176.73.6111.8R343 L344 Q350 Q351R343-R347 WeakPolarHBondContact O-CG 2.92Å; R343-R347 PolarHBondContact O-N 3.04Å; L344-R347 PolarHBondContact O-N 3.43Å; R347-Q350 PolarHBondContact O-N 2.95Å; R347-Q351 VanDerWaalsContact O-CG 3.29Å; R347-Q351 WeakPolarHBondContact O-CG 3.49Å; R347-Q351 PolarHBondContact O-N 2.92Å
348L90.1Very high90.9Very high126 Ų126108.1 Ų108.166%0.6653%0.528SS*.Hα-helixtrans-61.7-46.8176.1-176.665.9000111.2L344 T345 Q346 Q350 Q351 N352L344-L348 WeakPolarHBondContact O-CB 3.43Å; L344-L348 PolarHBondContact O-N 2.83Å; T345-L348 PolarHBondContact O-N 2.93Å; Q346-L348 VanDerWaalsContact C-N 3.35Å; Q346-L348 PolarHBondContact O-N 2.99Å; L348-Q350 PolarHBondContact O-N 3.35Å; L348-Q351 CarbonylContact O-C 3.59Å; L348-Q351 PolarHBondContact O-N 3.48Å; L348-Q351 VanDerWaalsContact O-N 3.17Å; L348-N352 PolarHBondContact O-N 2.96Å
349N88.6Confident90.7Very high106 Ų106115.7 Ų115.757%0.56755%0.547SS*.Hα-helixtrans-65.4-36.6178.8-71.7-12.9000112.5T345 Q346 Q351 N352T345-N349 WeakPolarHBondContact O-CB 3.35Å; T345-N349 VanDerWaalsContact O-CG 3.27Å; T345-N349 PolarHBondContact O-N 3.28Å; Q346-N349 PolarHBondContact O-N 2.77Å; N349-Q351 VanDerWaalsContact C-N 3.29Å; N349-Q351 PolarHBondContact O-N 3.47Å; N349-N352 WeakPolarHBondContact O-CB 3.45Å; N349-N352 PolarHBondContact O-N 3.48Å
350Q85.9Confident90.6Very high154 Ų154113.9 Ų113.972%0.7255%0.547SS*.Hα-helixtrans-68.4-28.4174.6-74.1173.13.600112.9Q346 R347 L348 N352Q346-Q350 WeakPolarHBondContact O-CB 3.25Å; Q346-Q350 VanDerWaalsContact O-CG 3.26Å; Q346-Q350 WeakPolarHBondContact O-CG 3.2Å; Q346-Q350 PolarHBondContact O-N 3.33Å; R347-Q350 PolarHBondContact O-N 2.95Å; L348-Q350 PolarHBondContact O-N 3.35Å; Q350-N352 VanDerWaalsContact C-N 3.27Å
351Q85.4Confident90.6Very high141 Ų141113 Ų11366%0.65954%0.543SS*.THydrogen-bonded Turntrans-852.8174.9-67.6-68-9.300113R347 L348 N349 P353R347-Q351 VanDerWaalsContact O-CG 3.29Å; R347-Q351 WeakPolarHBondContact O-CG 3.49Å; R347-Q351 PolarHBondContact O-N 2.92Å; L348-Q351 CarbonylContact O-C 3.59Å; L348-Q351 PolarHBondContact O-N 3.48Å; L348-Q351 VanDerWaalsContact O-N 3.17Å; N349-Q351 VanDerWaalsContact C-N 3.29Å; N349-Q351 PolarHBondContact O-N 3.47Å; Q351-P353 VanDerWaalsContact O-CD 3.3Å; Q351-P353 WeakPolarHBondContact O-CD 3.4Å; Q351-P353 VanDerWaalsContact O-N 3.14Å
352N85.4Confident90.5Very high77 Ų77109 Ų10941%0.41253%0.528SS..  trans-59118.6176.9-174.7-11.6000109.8L348 N349 Q350 Q354 P355L348-N352 PolarHBondContact O-N 2.96Å; N349-N352 WeakPolarHBondContact O-CB 3.45Å; N349-N352 PolarHBondContact O-N 3.48Å; Q350-N352 VanDerWaalsContact C-N 3.27Å; N352-Q354 PolarHBondContact O-N 3.43Å; N352-Q354 VanDerWaalsContact OD1-CB 3.29Å; N352-Q354 WeakPolarHBondContact OD1-CB 3.4Å; N352-Q354 WeakPolarHBondContact OD1-CG 3.25Å; N352-Q354 PolarHBondContact OD1-N 3.45Å; N352-P355 VanDerWaalsContact O-CD 3.3Å; N352-P355 WeakPolarHBondContact O-CD 3.39Å
353P88.5Confident90.5Very high74 Ų74111.5 Ų111.548%0.48153%0.532SS..SBendtrans-74.9-13.6-176.830.6-35.7000112.9Q351 K356 I357Q351-P353 VanDerWaalsContact O-CD 3.3Å; Q351-P353 WeakPolarHBondContact O-CD 3.4Å; Q351-P353 VanDerWaalsContact O-N 3.14Å; P353-K356 CarbonylContact O-C 3.48Å; P353-K356 WeakPolarHBondContact O-CA 3.35Å; P353-K356 WeakPolarHBondContact O-CB 3.37Å; P353-K356 PolarHBondContact O-N 2.92Å; P353-I357 HydrophobicContact CB-CD1 4.01Å; P353-I357 HydrophobicContact CB-CG1 4.41Å; P353-I357 HydrophobicContact CG-CD1 4.3Å; P353-I357 WeakPolarHBondContact O-CG1 3.39Å; P353-I357 PolarHBondContact O-N 2.9Å
354Q87.6Confident90.5Very high115 Ų115109 Ų10954%0.53753%0.529SS..Hα-helixtrans-52.1-48.5-175.4-82.6-69.6-12.200114N352 K356 I357 H358N352-Q354 PolarHBondContact O-N 3.43Å; N352-Q354 VanDerWaalsContact OD1-CB 3.29Å; N352-Q354 WeakPolarHBondContact OD1-CB 3.4Å; N352-Q354 WeakPolarHBondContact OD1-CG 3.25Å; N352-Q354 PolarHBondContact OD1-N 3.45Å; Q354-K356 VanDerWaalsContact C-N 3.31Å; Q354-K356 PolarHBondContact O-N 2.82Å; Q354-I357 PolarHBondContact O-N 3.37Å; Q354-H358 WeakPolarHBondContact O-CB 3.37Å; Q354-H358 PolarHBondContact O-N 3.3Å
355P85.5Confident90.5Very high74 Ų74110 Ų11048%0.48153%0.531SS..Hα-helixtrans-64.3-33.9176.5-21.934.4000113.3N352 R359N352-P355 VanDerWaalsContact O-CD 3.3Å; N352-P355 WeakPolarHBondContact O-CD 3.39Å; P355-R359 WeakPolarHBondContact O-CB 3.48Å; P355-R359 VanDerWaalsContact O-CG 3.27Å; P355-R359 WeakPolarHBondContact O-CG 3.28Å; P355-R359 PolarHBondContact O-N 3.41Å
356K87.6Confident90.5Very high147 Ų147113 Ų11364%0.63954%0.541SS*.Hα-helixtrans-69.1-42175.5-69-177.7-179.7174.80110.9P353 Q354 R359 A360P353-K356 CarbonylContact O-C 3.48Å; P353-K356 WeakPolarHBondContact O-CA 3.35Å; P353-K356 WeakPolarHBondContact O-CB 3.37Å; P353-K356 PolarHBondContact O-N 2.92Å; Q354-K356 VanDerWaalsContact C-N 3.31Å; Q354-K356 PolarHBondContact O-N 2.82Å; K356-R359 PolarHBondContact O-N 3.16Å; K356-A360 WeakPolarHBondContact O-CB 3.42Å; K356-A360 PolarHBondContact O-N 3.42Å
357I90.7Very high90.7Very high74 Ų74113.2 Ų113.238%0.37954%0.544SS..Hα-helixtrans-61.8-48.2175.1-67167.8000109.8P353 Q354 R359 A360 Q361P353-I357 HydrophobicContact CB-CD1 4.01Å; P353-I357 HydrophobicContact CB-CG1 4.41Å; P353-I357 HydrophobicContact CG-CD1 4.3Å; P353-I357 WeakPolarHBondContact O-CG1 3.39Å; P353-I357 PolarHBondContact O-N 2.9Å; Q354-I357 PolarHBondContact O-N 3.37Å; I357-R359 PolarHBondContact O-N 2.92Å; I357-A360 CarbonylContact O-C 3.6Å; I357-A360 WeakPolarHBondContact O-CB 3.26Å; I357-A360 PolarHBondContact O-N 2.82Å; I357-A360 VanDerWaalsContact O-N 3.11Å; I357-Q361 HydrophobicContact CG2-CG 4.29Å; I357-Q361 WeakPolarHBondContact O-CB 3.34Å; I357-Q361 WeakPolarHBondContact O-CG 3.35Å; I357-Q361 PolarHBondContact O-N 2.85Å
358H91.4Very high90.9Very high119 Ų119110.6 Ų110.655%0.55154%0.539SS*.Hα-helixtrans-61.8-41.5179.2-168.862.6000112.3Q354 Q361 T362Q354-H358 WeakPolarHBondContact O-CB 3.37Å; Q354-H358 PolarHBondContact O-N 3.3Å; H358-Q361 PolarHBondContact O-N 3.49Å; H358-T362 WeakPolarHBondContact O-CB 3.47Å; H358-T362 PolarHBondContact O-N 2.96Å; H358-T362 PolarHBondContact O-OG1 3.25Å
359R92.1Very high91.1Very high189 Ų189112.3 Ų112.371%0.71354%0.538SS*.Hα-helixtrans-62.2-41.8172.2-74.2175.7-172.2176.83.3112.3P355 K356 I357 R363P355-R359 WeakPolarHBondContact O-CB 3.48Å; P355-R359 VanDerWaalsContact O-CG 3.27Å; P355-R359 WeakPolarHBondContact O-CG 3.28Å; P355-R359 PolarHBondContact O-N 3.41Å; K356-R359 PolarHBondContact O-N 3.16Å; I357-R359 PolarHBondContact O-N 2.92Å; R359-R363 WeakPolarHBondContact O-CB 3.23Å; R359-R363 PolarHBondContact O-N 3.2Å
360A92.9Very high91.3Very high50 Ų50115.4 Ų115.441%0.41354%0.542SS..Hα-helixtrans-66.1-43.1177.200000111.8K356 I357 R363 I364K356-A360 WeakPolarHBondContact O-CB 3.42Å; K356-A360 PolarHBondContact O-N 3.42Å; I357-A360 CarbonylContact O-C 3.6Å; I357-A360 WeakPolarHBondContact O-CB 3.26Å; I357-A360 PolarHBondContact O-N 2.82Å; I357-A360 VanDerWaalsContact O-N 3.11Å; A360-R363 WeakPolarHBondContact O-CB 3.46Å; A360-R363 PolarHBondContact O-N 2.93Å; A360-I364 WeakPolarHBondContact O-CG1 3.19Å; A360-I364 PolarHBondContact O-N 3.48Å
361Q94.3Very high91.7Very high100 Ų100113.2 Ų113.247%0.46753%0.534SS..Hα-helixtrans-60.7-46.2174.3-74.4173.8-27.500111.6I357 H358 R363 I364 Q365I357-Q361 HydrophobicContact CG2-CG 4.29Å; I357-Q361 WeakPolarHBondContact O-CB 3.34Å; I357-Q361 WeakPolarHBondContact O-CG 3.35Å; I357-Q361 PolarHBondContact O-N 2.85Å; H358-Q361 PolarHBondContact O-N 3.49Å; Q361-R363 VanDerWaalsContact C-N 3.28Å; Q361-R363 PolarHBondContact O-N 3.35Å; Q361-I364 PolarHBondContact O-N 2.94Å; Q361-I364 VanDerWaalsContact O-N 3.16Å; Q361-Q365 WeakPolarHBondContact O-CG 3.38Å; Q361-Q365 PolarHBondContact O-N 2.92Å
362T94.2Very high92.2Very high48 Ų48108.5 Ų108.529%0.29452%0.52SS..Hα-helixtrans-60.5-40.8175.9-51.60000110.9H358 Q365 Q366H358-T362 WeakPolarHBondContact O-CB 3.47Å; H358-T362 PolarHBondContact O-N 2.96Å; H358-T362 PolarHBondContact O-OG1 3.25Å; T362-Q365 PolarHBondContact O-N 3.4Å; T362-Q366 VanDerWaalsContact O-CG 3.3Å; T362-Q366 WeakPolarHBondContact O-CG 3.5Å; T362-Q366 PolarHBondContact O-N 3.43Å
363R94.8Very high92.5Very high169 Ų169109 Ų10964%0.63852%0.519SS*.Hα-helixtrans-64.5-40.3175.8-175.5174.3-178.4156.70.4112R359 A360 Q361 Q366 L367R359-R363 WeakPolarHBondContact O-CB 3.23Å; R359-R363 PolarHBondContact O-N 3.2Å; A360-R363 WeakPolarHBondContact O-CB 3.46Å; A360-R363 PolarHBondContact O-N 2.93Å; Q361-R363 VanDerWaalsContact C-N 3.28Å; Q361-R363 PolarHBondContact O-N 3.35Å; R363-Q366 PolarHBondContact O-N 3.47Å; R363-L367 HydrophobicContact CG-CD1 4.09Å; R363-L367 WeakPolarHBondContact O-CB 3.33Å; R363-L367 WeakPolarHBondContact O-CG 3.36Å; R363-L367 PolarHBondContact O-N 3.11Å
364I94.4Very high92.8Very high92 Ų92109.8 Ų109.847%0.47252%0.519SS..Hα-helixtrans-61.3-50.5174.6-70.8166.9000109.8A360 Q361 Q366 L367 E368A360-I364 WeakPolarHBondContact O-CG1 3.19Å; A360-I364 PolarHBondContact O-N 3.48Å; Q361-I364 PolarHBondContact O-N 2.94Å; Q361-I364 VanDerWaalsContact O-N 3.16Å; I364-Q366 VanDerWaalsContact C-N 3.31Å; I364-Q366 PolarHBondContact O-N 3.48Å; I364-L367 CarbonylContact O-C 3.53Å; I364-L367 WeakPolarHBondContact O-CB 3.44Å; I364-L367 PolarHBondContact O-N 3.49Å; I364-E368 HydrophobicContact CG2-CG 4.21Å; I364-E368 WeakPolarHBondContact O-CG 3.37Å; I364-E368 PolarHBondContact O-N 3.03Å
365Q94.6Very high93.1Very high124 Ų124108.5 Ų108.558%0.57952%0.515SS*.Hα-helixtrans-57.7-42.2178.3-72.7176.2-15.100112.6Q361 T362 E368 Y369Q361-Q365 WeakPolarHBondContact O-CG 3.38Å; Q361-Q365 PolarHBondContact O-N 2.92Å; T362-Q365 PolarHBondContact O-N 3.4Å; Q365-E368 PolarHBondContact O-N 3.11Å; Q365-Y369 WeakPolarHBondContact O-CB 3.32Å; Q365-Y369 PolarHBondContact O-N 3Å
366Q94.2Very high93.5Very high126 Ų126113 Ų11359%0.58952%0.523SS*.Hα-helixtrans-63.7-40.9175.2-74.1173.6-700112.3T362 R363 I364 R370T362-Q366 VanDerWaalsContact O-CG 3.3Å; T362-Q366 WeakPolarHBondContact O-CG 3.5Å; T362-Q366 PolarHBondContact O-N 3.43Å; R363-Q366 PolarHBondContact O-N 3.47Å; I364-Q366 VanDerWaalsContact C-N 3.31Å; I364-Q366 PolarHBondContact O-N 3.48Å; Q366-R370 WeakPolarHBondContact O-CB 3.18Å; Q366-R370 PolarHBondContact O-N 2.77Å
367L95Very high93.6Very high99 Ų99108.8 Ų108.852%0.51852%0.515SS..Hα-helixtrans-68.1-40.5177.5-72.4170.7000111.7R363 I364 R370 L371R363-L367 HydrophobicContact CG-CD1 4.09Å; R363-L367 WeakPolarHBondContact O-CB 3.33Å; R363-L367 WeakPolarHBondContact O-CG 3.36Å; R363-L367 PolarHBondContact O-N 3.11Å; I364-L367 CarbonylContact O-C 3.53Å; I364-L367 WeakPolarHBondContact O-CB 3.44Å; I364-L367 PolarHBondContact O-N 3.49Å; L367-R370 PolarHBondContact O-N 3.41Å; L367-L371 WeakPolarHBondContact O-CB 3.48Å; L367-L371 PolarHBondContact O-N 2.79Å
368E95.4Very high93.8Very high119 Ų119111.1 Ų111.156%0.55652%0.524SS*.Hα-helixtrans-62.3-46.8174.8-73.7175.5159.300111.5I364 Q365 R370 L371 A372I364-E368 HydrophobicContact CG2-CG 4.21Å; I364-E368 WeakPolarHBondContact O-CG 3.37Å; I364-E368 PolarHBondContact O-N 3.03Å; Q365-E368 PolarHBondContact O-N 3.11Å; E368-R370 VanDerWaalsContact C-N 3.35Å; E368-R370 PolarHBondContact O-N 3.3Å; E368-L371 PolarHBondContact O-N 2.84Å; E368-A372 PolarHBondContact O-N 2.86Å
369Y94.1Very high93.9Very high161 Ų161110.6 Ų110.663%0.63153%0.525SS*.Hα-helixtrans-59.3-46.3175.3-177.9-93.8000111.4Q365 L371 A372 E373Q365-Y369 WeakPolarHBondContact O-CB 3.32Å; Q365-Y369 PolarHBondContact O-N 3Å; Y369-L371 PolarHBondContact O-N 3.04Å; Y369-A372 PolarHBondContact O-N 2.92Å; Y369-E373 HydrophobicContact CD1-CG 4.29Å; Y369-E373 HydrophobicContact CE1-CG 3.8Å; Y369-E373 PolarHBondContact O-N 2.84Å
370R93.7Very high93.8Very high171 Ų171104.9 Ų104.965%0.64551%0.514SS*.Hα-helixtrans-64-39.3178.3-170.1175.6-175.4178.81.3112.2Q366 L367 E368 I374Q366-R370 WeakPolarHBondContact O-CB 3.18Å; Q366-R370 PolarHBondContact O-N 2.77Å; L367-R370 PolarHBondContact O-N 3.41Å; E368-R370 VanDerWaalsContact C-N 3.35Å; E368-R370 PolarHBondContact O-N 3.3Å; R370-I374 HydrophobicContact CG-CD1 4.06Å; R370-I374 VanDerWaalsContact O-CG1 3.26Å; R370-I374 WeakPolarHBondContact O-CG1 3.43Å; R370-I374 PolarHBondContact O-N 3.01Å
371L94.5Very high93.8Very high108 Ų108104 Ų10457%0.56551%0.507SS*.Hα-helixtrans-61.9-47.5175.3-177.676.2000110.8L367 E368 Y369 E373 I374 L375L367-L371 WeakPolarHBondContact O-CB 3.48Å; L367-L371 PolarHBondContact O-N 2.79Å; E368-L371 PolarHBondContact O-N 2.84Å; Y369-L371 PolarHBondContact O-N 3.04Å; L371-E373 PolarHBondContact O-N 3.13Å; L371-I374 PolarHBondContact O-N 2.95Å; L371-L375 HydrophobicContact CG-CD1 4.06Å; L371-L375 WeakPolarHBondContact O-CB 3.31Å; L371-L375 WeakPolarHBondContact O-CG 3.39Å; L371-L375 PolarHBondContact O-N 2.71Å
372A94.5Very high93.6Very high43 Ų43102.9 Ų102.936%0.35551%0.507SS..Hα-helixtrans-61.4-42.6179.200000112.3E368 Y369 L375 R376E368-A372 PolarHBondContact O-N 2.86Å; Y369-A372 PolarHBondContact O-N 2.92Å; A372-L375 PolarHBondContact O-N 3.04Å; A372-R376 WeakPolarHBondContact O-CB 3.32Å; A372-R376 WeakPolarHBondContact O-CG 3.11Å; A372-R376 PolarHBondContact O-N 3.14Å
373E93.8Very high93.4Very high86 Ų86110 Ų11040%0.40253%0.528SS..Hα-helixtrans-62-45.7175.2-80.6-69.1109.600112.1Y369 L371 L375 R376 A377Y369-E373 HydrophobicContact CD1-CG 4.29Å; Y369-E373 HydrophobicContact CE1-CG 3.8Å; Y369-E373 PolarHBondContact O-N 2.84Å; L371-E373 PolarHBondContact O-N 3.13Å; E373-L375 PolarHBondContact O-N 3.45Å; E373-R376 PolarHBondContact O-N 2.88Å; E373-R376 IonicContact OE1-NH1 3.91Å; E373-A377 WeakPolarHBondContact O-CB 3.46Å; E373-A377 PolarHBondContact O-N 2.83Å
374I94Very high93.1Very high92 Ų92108.3 Ų108.347%0.47253%0.528SS..Hα-helixtrans-63.3-44.4177.7-68.8167.5000110.8R370 L371 R376 A377 Q378R370-I374 HydrophobicContact CG-CD1 4.06Å; R370-I374 VanDerWaalsContact O-CG1 3.26Å; R370-I374 WeakPolarHBondContact O-CG1 3.43Å; R370-I374 PolarHBondContact O-N 3.01Å; L371-I374 PolarHBondContact O-N 2.95Å; I374-R376 PolarHBondContact O-N 2.84Å; I374-A377 PolarHBondContact O-N 3.18Å; I374-Q378 WeakPolarHBondContact O-CB 3.49Å; I374-Q378 PolarHBondContact O-N 2.88Å
375L93.1Very high92.8Very high87 Ų87112.7 Ų112.746%0.45554%0.538SS..Hα-helixtrans-61.6-43.7177.4-75.9171.9000111.7L371 A372 E373 Q378 L379L371-L375 HydrophobicContact CG-CD1 4.06Å; L371-L375 WeakPolarHBondContact O-CB 3.31Å; L371-L375 WeakPolarHBondContact O-CG 3.39Å; L371-L375 PolarHBondContact O-N 2.71Å; A372-L375 PolarHBondContact O-N 3.04Å; E373-L375 PolarHBondContact O-N 3.45Å; L375-Q378 PolarHBondContact O-N 2.88Å; L375-L379 WeakPolarHBondContact O-CB 2.99Å; L375-L379 WeakPolarHBondContact O-CG 3.29Å; L375-L379 PolarHBondContact O-N 2.94Å
376R93.6Very high92.6Very high170 Ų170113.8 Ų113.864%0.64254%0.542SS*.Hα-helixtrans-61.2-47.7175.2-77.3177.1-176.4-1780111.6A372 E373 I374 Q378 L379 S380A372-R376 WeakPolarHBondContact O-CB 3.32Å; A372-R376 WeakPolarHBondContact O-CG 3.11Å; A372-R376 PolarHBondContact O-N 3.14Å; E373-R376 PolarHBondContact O-N 2.88Å; E373-R376 IonicContact OE1-NH1 3.91Å; I374-R376 PolarHBondContact O-N 2.84Å; R376-Q378 VanDerWaalsContact C-N 3.35Å; R376-Q378 PolarHBondContact O-N 2.92Å; R376-L379 PolarHBondContact O-N 3.36Å; R376-S380 WeakPolarHBondContact O-CB 3.19Å; R376-S380 PolarHBondContact O-N 2.88Å; R376-S380 PolarHBondContact O-OG 3.27Å
377A91.3Very high92.1Very high57 Ų57109.3 Ų109.347%0.47153%0.529SS..Hα-helixtrans-59.6-45.8177.800000111.3E373 I374 S380 A381E373-A377 WeakPolarHBondContact O-CB 3.46Å; E373-A377 PolarHBondContact O-N 2.83Å; I374-A377 PolarHBondContact O-N 3.18Å; A377-S380 PolarHBondContact O-N 2.8Å; A377-S380 PolarHBondContact O-OG 2.88Å; A377-A381 PolarHBondContact O-N 3.27Å
378Q93.6Very high91.6Very high123 Ų123108.8 Ų108.858%0.57553%0.527SS*.Hα-helixtrans-66.4-41.6-179.9-166173.1500112.4I374 L375 R376 T382I374-Q378 WeakPolarHBondContact O-CB 3.49Å; I374-Q378 PolarHBondContact O-N 2.88Å; L375-Q378 PolarHBondContact O-N 2.88Å; R376-Q378 VanDerWaalsContact C-N 3.35Å; R376-Q378 PolarHBondContact O-N 2.92Å; Q378-T382 WeakPolarHBondContact O-CB 3.48Å; Q378-T382 PolarHBondContact O-N 3.12Å; Q378-T382 PolarHBondContact O-OG1 2.89Å
379L93Very high91Very high108 Ų108105.9 Ų105.957%0.56552%0.523SS*.Hα-helixtrans-64.4-40.9174.1-78.2166.5000112L375 R376 T382 R383L375-L379 WeakPolarHBondContact O-CB 2.99Å; L375-L379 WeakPolarHBondContact O-CG 3.29Å; L375-L379 PolarHBondContact O-N 2.94Å; R376-L379 PolarHBondContact O-N 3.36Å; L379-T382 PolarHBondContact O-N 2.84Å; L379-R383 WeakPolarHBondContact O-CB 3.31Å; L379-R383 WeakPolarHBondContact O-CG 3.47Å; L379-R383 PolarHBondContact O-N 3.41Å
380S91.8Very high90.4Very high69 Ų69100.8 Ų100.848%0.48351%0.509SS..Hα-helixtrans-63.2-47.6177.672.40000111.7R376 A377 T382 R383 E384R376-S380 WeakPolarHBondContact O-CB 3.19Å; R376-S380 PolarHBondContact O-N 2.88Å; R376-S380 PolarHBondContact O-OG 3.27Å; A377-S380 PolarHBondContact O-N 2.8Å; A377-S380 PolarHBondContact O-OG 2.88Å; S380-T382 VanDerWaalsContact C-N 3.28Å; S380-T382 PolarHBondContact O-N 2.89Å; S380-R383 PolarHBondContact O-N 2.88Å; S380-E384 WeakPolarHBondContact O-CB 3.5Å; S380-E384 PolarHBondContact O-N 3.49Å
381A91.1Very high89.7Confident33 Ų3396.4 Ų96.427%0.27350%0.501SS..Hα-helixtrans-62.4-36.3176.200000112A377 R385A377-A381 PolarHBondContact O-N 3.27Å; A381-R385 VanDerWaalsContact O-CG 3.3Å; A381-R385 WeakPolarHBondContact O-CG 3.49Å; A381-R385 PolarHBondContact O-N 3.01Å
382T91.4Very high88.9Confident76 Ų7698 Ų9847%0.46651%0.505SS..Hα-helixtrans-69.7-41.9176.6-52.10000111.5Q378 L379 S380 R385 F386Q378-T382 WeakPolarHBondContact O-CB 3.48Å; Q378-T382 PolarHBondContact O-N 3.12Å; Q378-T382 PolarHBondContact O-OG1 2.89Å; L379-T382 PolarHBondContact O-N 2.84Å; S380-T382 VanDerWaalsContact C-N 3.28Å; S380-T382 PolarHBondContact O-N 2.89Å; T382-R385 PolarHBondContact O-N 2.83Å; T382-F386 WeakPolarHBondContact O-CB 3.42Å; T382-F386 PolarHBondContact O-N 3.12Å
383R90Very high88Confident197 Ų197102.3 Ų102.374%0.74352%0.522SS*.Hα-helixtrans-62.5-41.5174.2-81.7-179.6176168.7-1112.2L379 S380 F386 G387L379-R383 WeakPolarHBondContact O-CB 3.31Å; L379-R383 WeakPolarHBondContact O-CG 3.47Å; L379-R383 PolarHBondContact O-N 3.41Å; S380-R383 PolarHBondContact O-N 2.88Å; R383-F386 PolarHBondContact O-N 3.46Å; R383-G387 PolarHBondContact O-N 3.38Å
384E89Confident86.8Confident134 Ų134104.2 Ų104.263%0.62653%0.531SS*.Hα-helixtrans-63.4-47.3177.3-170.4-175176.100111.3S380 F386 G387 N388S380-E384 WeakPolarHBondContact O-CB 3.5Å; S380-E384 PolarHBondContact O-N 3.49Å; E384-F386 VanDerWaalsContact C-N 3.3Å; E384-F386 PolarHBondContact O-N 2.82Å; E384-G387 PolarHBondContact O-N 3.39Å; E384-N388 WeakPolarHBondContact O-CB 3.45Å; E384-N388 VanDerWaalsContact O-CG 3.29Å; E384-N388 PolarHBondContact O-N 2.78Å; E384-N388 PolarHBondContact O-ND2 2.85Å
385R88Confident85.6Confident184 Ų184103.3 Ų103.369%0.69454%0.537SS*.Hα-helixtrans-58-42.5173.6-72.3177.8-158.5169.84.9112.2A381 T382 A389A381-R385 VanDerWaalsContact O-CG 3.3Å; A381-R385 WeakPolarHBondContact O-CG 3.49Å; A381-R385 PolarHBondContact O-N 3.01Å; T382-R385 PolarHBondContact O-N 2.83Å; R385-A389 WeakPolarHBondContact O-CB 3.41Å; R385-A389 PolarHBondContact O-N 2.72Å
386F88.8Confident84.5Confident147 Ų147104.9 Ų104.965%0.64555%0.55SS**Hα-helixtrans-65.4-46.5177.7-179-98.7000111.8T382 R383 E384 N388 A389 V390T382-F386 WeakPolarHBondContact O-CB 3.42Å; T382-F386 PolarHBondContact O-N 3.12Å; R383-F386 PolarHBondContact O-N 3.46Å; E384-F386 VanDerWaalsContact C-N 3.3Å; E384-F386 PolarHBondContact O-N 2.82Å; F386-N388 VanDerWaalsContact C-N 3.35Å; F386-N388 PolarHBondContact O-N 3.21Å; F386-A389 WeakPolarHBondContact O-CB 3.42Å; F386-A389 PolarHBondContact O-N 2.94Å; F386-A389 VanDerWaalsContact O-N 3.16Å; F386-V390 HydrophobicContact CD1-CG2 4.23Å; F386-V390 HydrophobicContact CE1-CG2 3.8Å; F386-V390 HydrophobicContact CE2-CG2 4.43Å; F386-V390 HydrophobicContact CZ-CG2 3.91Å; F386-V390 WeakPolarHBondContact O-CG2 3.29Å; F386-V390 PolarHBondContact O-N 2.9Å
387G84.9Confident82.9Confident32 Ų3298.6 Ų98.633%0.3353%0.532SS..Hα-helixtrans-58.1-46.3176.500000112R383 E384 A389 V390 T391R383-G387 PolarHBondContact O-N 3.38Å; E384-G387 PolarHBondContact O-N 3.39Å; G387-A389 VanDerWaalsContact C-N 3.32Å; G387-A389 PolarHBondContact O-N 2.91Å; G387-V390 PolarHBondContact O-N 2.88Å; G387-V390 VanDerWaalsContact O-N 3.16Å; G387-T391 PolarHBondContact O-N 3.04Å; G387-T391 PolarHBondContact O-OG1 2.76Å; G387-T391 VanDerWaalsContact O-OG1 3.05Å
388N84.9Confident81.6Confident87 Ų87100.7 Ų100.747%0.46554%0.541SS..Hα-helixtrans-59.7-41.4175.9-71.5-21.6000112E384 F386 T391 H392E384-N388 WeakPolarHBondContact O-CB 3.45Å; E384-N388 VanDerWaalsContact O-CG 3.29Å; E384-N388 PolarHBondContact O-N 2.78Å; E384-N388 PolarHBondContact O-ND2 2.85Å; F386-N388 VanDerWaalsContact C-N 3.35Å; F386-N388 PolarHBondContact O-N 3.21Å; N388-T391 VanDerWaalsContact CA-OG1 3.31Å; N388-T391 WeakPolarHBondContact CA-OG1 3.5Å; N388-T391 PolarHBondContact O-N 3.25Å; N388-T391 PolarHBondContact O-OG1 3.34Å; N388-H392 WeakPolarHBondContact O-CB 3.45Å; N388-H392 PolarHBondContact O-CD2 2.92Å; N388-H392 VanDerWaalsContact O-CD2 3.29Å; N388-H392 PolarHBondContact O-N 3.35Å
389A81.4Confident80.2Confident58 Ų58100.6 Ų100.648%0.47954%0.544SS..Hα-helixtrans-64-39.4176.100000112.5R385 F386 G387 H392 L393R385-A389 WeakPolarHBondContact O-CB 3.41Å; R385-A389 PolarHBondContact O-N 2.72Å; F386-A389 WeakPolarHBondContact O-CB 3.42Å; F386-A389 PolarHBondContact O-N 2.94Å; F386-A389 VanDerWaalsContact O-N 3.16Å; G387-A389 VanDerWaalsContact C-N 3.32Å; G387-A389 PolarHBondContact O-N 2.91Å; A389-H392 PolarHBondContact O-N 2.97Å; A389-L393 PolarHBondContact O-N 2.75Å
390V82.3Confident78.8Confident55 Ų5597 Ų9733%0.33353%0.527SS..Hα-helixtrans-66.2-46.7175.71730000111.4F386 G387 H392 L393 E394F386-V390 HydrophobicContact CD1-CG2 4.23Å; F386-V390 HydrophobicContact CE1-CG2 3.8Å; F386-V390 HydrophobicContact CE2-CG2 4.43Å; F386-V390 HydrophobicContact CZ-CG2 3.91Å; F386-V390 WeakPolarHBondContact O-CG2 3.29Å; F386-V390 PolarHBondContact O-N 2.9Å; G387-V390 PolarHBondContact O-N 2.88Å; G387-V390 VanDerWaalsContact O-N 3.16Å; V390-H392 VanDerWaalsContact C-N 3.27Å; V390-H392 PolarHBondContact O-N 3.4Å; V390-L393 WeakPolarHBondContact O-CA 3.35Å; V390-L393 WeakPolarHBondContact O-CB 3.49Å; V390-L393 PolarHBondContact O-N 3.16Å; V390-E394 PolarHBondContact O-N 2.97Å
391T78.8Confident77.6Confident79 Ų7997.1 Ų97.149%0.48553%0.525SS..Hα-helixtrans-62-35.6176.239.80000112.5G387 N388 L393 E394 A395G387-T391 PolarHBondContact O-N 3.04Å; G387-T391 PolarHBondContact O-OG1 2.76Å; G387-T391 VanDerWaalsContact O-OG1 3.05Å; N388-T391 VanDerWaalsContact CA-OG1 3.31Å; N388-T391 WeakPolarHBondContact CA-OG1 3.5Å; N388-T391 PolarHBondContact O-N 3.25Å; N388-T391 PolarHBondContact O-OG1 3.34Å; T391-L393 VanDerWaalsContact C-N 3.34Å; T391-E394 PolarHBondContact O-N 3.09Å; T391-A395 WeakPolarHBondContact O-CB 3.42Å; T391-A395 PolarHBondContact O-N 2.79Å
392H77.8Confident76.4Confident140 Ų14096.4 Ų96.465%0.64852%0.517SS*.Hα-helixtrans-63.7-41.2172.1-91.6-64.3000111.6N388 A389 V390 V396N388-H392 WeakPolarHBondContact O-CB 3.45Å; N388-H392 PolarHBondContact O-CD2 2.92Å; N388-H392 VanDerWaalsContact O-CD2 3.29Å; N388-H392 PolarHBondContact O-N 3.35Å; A389-H392 PolarHBondContact O-N 2.97Å; V390-H392 VanDerWaalsContact C-N 3.27Å; V390-H392 PolarHBondContact O-N 3.4Å; H392-V396 WeakPolarHBondContact O-CG2 3.46Å
393L76.4Confident75.3Confident134 Ų13495.4 Ų95.470%0.70252%0.516SS*.Hα-helixtrans-64.8-42.6177.2-167.372000112.1A389 V390 T391 V396A389-L393 PolarHBondContact O-N 2.75Å; V390-L393 WeakPolarHBondContact O-CA 3.35Å; V390-L393 WeakPolarHBondContact O-CB 3.49Å; V390-L393 PolarHBondContact O-N 3.16Å; T391-L393 VanDerWaalsContact C-N 3.34Å; L393-V396 PolarHBondContact O-N 3.08Å
394E68.6Low74.2Confident126 Ų12694.9 Ų94.959%0.58952%0.515SS*.Hα-helixtrans-66.1-39.6177.5-75.4-171.8161.700112.6V390 T391 V396 S397V390-E394 PolarHBondContact O-N 2.97Å; T391-E394 PolarHBondContact O-N 3.09Å; E394-V396 PolarHBondContact O-N 2.83Å; E394-S397 VanDerWaalsContact O-CB 3.26Å; E394-S397 WeakPolarHBondContact O-CB 3.42Å; E394-S397 PolarHBondContact O-N 2.89Å
395A68.5Low73.1Confident74 Ų7491.8 Ų91.861%0.61252%0.519SS*.Hα-helixtrans-63.7-21.4-179.300000113.9T391T391-A395 WeakPolarHBondContact O-CB 3.42Å; T391-A395 PolarHBondContact O-N 2.79Å
396V68.7Low72.5Confident120 Ų12090.3 Ų90.373%0.72751%0.514SS*.THydrogen-bonded Turntrans-96.3-0.3175.3-120.20000113.1H392 L393 E394 P398H392-V396 WeakPolarHBondContact O-CG2 3.46Å; L393-V396 PolarHBondContact O-N 3.08Å; E394-V396 PolarHBondContact O-N 2.83Å; V396-P398 WeakPolarHBondContact O-CD 3.33Å
397S61Low72.1Confident38 Ų3886 Ų8627%0.26650%0.502SS..  trans-73122.3-179.2-177.60000111.2E394 L399 S400E394-S397 VanDerWaalsContact O-CB 3.26Å; E394-S397 WeakPolarHBondContact O-CB 3.42Å; E394-S397 PolarHBondContact O-N 2.89Å; S397-L399 PolarHBondContact O-N 3.01Å; S397-S400 WeakPolarHBondContact O-CB 3.23Å; S397-S400 PolarHBondContact O-N 3Å; S397-S400 PolarHBondContact O-OG 2.67Å
398P63.4Low71.9Confident101 Ų10187 Ų8766%0.65650%0.502SS*.Hα-helixtrans-56.1-25.5176.7-23.933.2000113.8V396 T401 L402V396-P398 WeakPolarHBondContact O-CD 3.33Å; P398-T401 PolarHBondContact O-N 3Å; P398-L402 PolarHBondContact O-N 3.02Å
399L64.5Low71.9Confident120 Ų12084.5 Ų84.563%0.62849%0.49SS*.Hα-helixtrans-67.3-36.9177.1-65.8167.7000112.1S397 T401 L402 A403S397-L399 PolarHBondContact O-N 3.01Å; L399-T401 PolarHBondContact O-N 3.39Å; L399-L402 PolarHBondContact O-N 3.01Å; L399-A403 PolarHBondContact O-N 2.81Å
400S64.4Low72.1Confident32 Ų3282.6 Ų82.622%0.22447%0.472CS..Hα-helixtrans-66.2-29.3178.171.80000112.2S397 R404S397-S400 WeakPolarHBondContact O-CB 3.23Å; S397-S400 PolarHBondContact O-N 3Å; S397-S400 PolarHBondContact O-OG 2.67Å; S400-R404 WeakPolarHBondContact O-CG 3.44Å; S400-R404 PolarHBondContact O-N 3.08Å
401T65.3Low72Confident72 Ų7280.7 Ų80.744%0.44246%0.462SS..Hα-helixtrans-70.1-41.4175.6-38.80000111.3P398 L399 R404 Y406P398-T401 PolarHBondContact O-N 3Å; L399-T401 PolarHBondContact O-N 3.39Å; T401-R404 PolarHBondContact O-N 3.3Å; T401-Y406 HydrophobicContact CG2-CD2 4.38Å; T401-Y406 WeakPolarHBondContact O-CB 3.28Å
402L67.2Low71.8Confident18 Ų1882.8 Ų82.89%0.09448%0.475CS..Hα-helixtrans-67.7-41.4177-69168.8000111.8P398 L399 R404 G405 V408 R432P398-L402 PolarHBondContact O-N 3.02Å; L399-L402 PolarHBondContact O-N 3.01Å; L402-R404 PolarHBondContact O-N 2.99Å; L402-G405 PolarHBondContact O-N 2.63Å; L402-G405 VanDerWaalsContact O-N 3.12Å; L402-V408 HydrophobicContact CD2-CG2 4.01Å; L402-R432 HydrophobicContact CD2-CG 4.44Å
403A67.6Low71.7Confident55 Ų5581 Ų8146%0.45547%0.47SS..Hα-helixtrans-65.7-19.2177.800000114.1L399 G405L399-A403 PolarHBondContact O-N 2.81Å; A403-G405 PolarHBondContact O-N 3.11Å
404R66.5Low71.7Confident187 Ų18777 Ų7771%0.70646%0.462SS*.THydrogen-bonded Turntrans-81.59173.9-76.7178.8-176.7167.54.1113.5S400 T401 L402 Y406S400-R404 WeakPolarHBondContact O-CG 3.44Å; S400-R404 PolarHBondContact O-N 3.08Å; T401-R404 PolarHBondContact O-N 3.3Å; L402-R404 PolarHBondContact O-N 2.99Å; R404-Y406 VanDerWaalsContact C-N 3.32Å; R404-Y406 HydrophobicContact CB-CD2 3.75Å; R404-Y406 HydrophobicContact CB-CE2 3.88Å
405G67Low72.3Confident69 Ų6975.7 Ų75.771%0.71146%0.459SS*.THydrogen-bonded Turntrans79.213.1-179.500000114L402 A403L402-G405 PolarHBondContact O-N 2.63Å; L402-G405 VanDerWaalsContact O-N 3.12Å; A403-G405 PolarHBondContact O-N 3.11Å
406Y75Confident73Confident152 Ų15275.4 Ų75.460%0.59645%0.449SS*.  trans-84.2136.1168.3-62.8-82.3000109.4T401 R404T401-Y406 HydrophobicContact CG2-CD2 4.38Å; T401-Y406 WeakPolarHBondContact O-CB 3.28Å; R404-Y406 VanDerWaalsContact C-N 3.32Å; R404-Y406 HydrophobicContact CB-CD2 3.75Å; R404-Y406 HydrophobicContact CB-CE2 3.88Å
407S79.1Confident73.5Confident57 Ų5771.2 Ų71.240%0.39942%0.422SS..  trans-100.5156.5172.762.50000111.1T431 R432S407-T431 WeakPolarHBondContact OG-CG2 3.41Å; S407-R432 WeakPolarHBondContact CA-O 3.4Å; S407-R432 VanDerWaalsContact CB-O 3.26Å; S407-R432 WeakPolarHBondContact CB-O 3.36Å
408V82.5Confident74.6Confident54 Ų5478 Ų7833%0.32745%0.447SS..EExtended strand (participates in β ladder)trans-110.2109.4170.8178.70000107.6L402 V416 R432L402-V408 HydrophobicContact CD2-CG2 4.01Å; V408-V416 HydrophobicContact CG1-CB 4.35Å; V408-V416 HydrophobicContact CG1-CG1 3.78Å; V408-V416 HydrophobicContact CG1-CG2 3.67Å; V408-R432 HydrophobicContact CB-CB 4.35Å; V408-R432 PolarHBondContact N-O 2.67Å; V408-R432 PolarHBondContact O-N 3Å
409T83.8Confident75.4Confident34 Ų3480.3 Ų80.321%0.20945%0.447CS..EExtended strand (participates in β ladder)trans-91.3126.9177.9-470000109.9V416 L417 L429 T430T409-V416 WeakPolarHBondContact O-CA 3.44Å; T409-L417 HydrophobicContact CG2-CD1 3.92Å; T409-L417 WeakPolarHBondContact O-CB 3.2Å; T409-L417 PolarHBondContact O-N 3.46Å; T409-L429 HydrophobicContact CG2-CB 3.94Å; T409-L429 HydrophobicContact CG2-CD1 4.02Å; T409-L429 HydrophobicContact CG2-CG 4.46Å; T409-T430 CarbonylContact C-O 3.57Å; T409-T430 WeakPolarHBondContact CA-O 3.41Å
410T86Confident76.1Confident17 Ų1778.3 Ų78.310%0.10444%0.439CS..EExtended strand (participates in β ladder)trans-110.9145.8175.646.80000110.7N415 V416 T430T410-N415 VanDerWaalsContact CA-O 3.29Å; T410-N415 WeakPolarHBondContact CA-O 3.37Å; T410-V416 HydrophobicContact CG2-CG2 4.1Å; T410-T430 PolarHBondContact N-O 3.01Å; T410-T430 PolarHBondContact O-N 3.46Å; T410-T430 PolarHBondContact O-OG1 3.39Å; T410-T430 WeakPolarHBondContact OG1-CB 3.46Å; T410-T430 PolarHBondContact OG1-O 2.93Å; T410-T430 PolarHBondContact OG1-OG1 3.12Å
411A79.9Confident76.8Confident15 Ų1586.4 Ų86.412%0.12447%0.471CS..EExtended strand (participates in β ladder)trans-74.5173.3165.200000110.6D413 G414 N415 L417A411-D413 WeakPolarHBondContact CB-OD1 3.37Å; A411-D413 PolarHBondContact O-N 2.97Å; A411-D413 VanDerWaalsContact O-N 3.11Å; A411-G414 PolarHBondContact O-N 3.3Å; A411-N415 PolarHBondContact N-O 3.46Å; A411-L417 HydrophobicContact CB-CD1 4.42Å; A411-L417 HydrophobicContact CB-CD2 4.09Å; A411-L417 HydrophobicContact CB-CG 4.37Å
412T74.6Confident77.4Confident123 Ų12387.2 Ų87.276%0.75547%0.469SS*.THydrogen-bonded Turntrans-59.1-19.1176.645.50000113.9G414 M428T412-G414 VanDerWaalsContact C-N 3.34Å; T412-M428 HydrophobicContact CG2-CB 4.02Å
413D75.8Confident77.9Confident104 Ų10487.5 Ų87.556%0.55647%0.471SS*.THydrogen-bonded Turntrans-87.42.5174.767-3.1000113.8A411 N415A411-D413 WeakPolarHBondContact CB-OD1 3.37Å; A411-D413 PolarHBondContact O-N 2.97Å; A411-D413 VanDerWaalsContact O-N 3.11Å; D413-N415 VanDerWaalsContact C-N 3.28Å; D413-N415 VanDerWaalsContact CG-ND2 3.26Å; D413-N415 PolarHBondContact O-N 3.43Å; D413-N415 VanDerWaalsContact OD1-CB 3.28Å; D413-N415 WeakPolarHBondContact OD1-CB 3.41Å; D413-N415 PolarHBondContact OD1-N 2.94Å; D413-N415 PolarHBondContact OD2-ND2 3.37Å
414G77.2Confident78.4Confident50 Ų5091.8 Ų91.852%0.51548%0.48SS..SBendtrans79.90.5-17800000114.8A411 T412A411-G414 PolarHBondContact O-N 3.3Å; T412-G414 VanDerWaalsContact C-N 3.34Å
415N80.3Confident79Confident98 Ų9886.3 Ų86.352%0.52447%0.474SS..  trans-77.9130.6-179.9-73.8-44.5000111.8T410 A411 D413 L417T410-N415 VanDerWaalsContact CA-O 3.29Å; T410-N415 WeakPolarHBondContact CA-O 3.37Å; A411-N415 PolarHBondContact N-O 3.46Å; D413-N415 VanDerWaalsContact C-N 3.28Å; D413-N415 VanDerWaalsContact CG-ND2 3.26Å; D413-N415 PolarHBondContact O-N 3.43Å; D413-N415 VanDerWaalsContact OD1-CB 3.28Å; D413-N415 WeakPolarHBondContact OD1-CB 3.41Å; D413-N415 PolarHBondContact OD1-N 2.94Å; D413-N415 PolarHBondContact OD2-ND2 3.37Å; N415-L417 PolarHBondContact O-N 3.05Å
416V83.3Confident79.6Confident68 Ų6885.1 Ų85.141%0.41246%0.463SS..BIsolated β-bridgetrans-66.1124.2176.6178.80000110.8V408 T409 T410 K418V408-V416 HydrophobicContact CG1-CB 4.35Å; V408-V416 HydrophobicContact CG1-CG1 3.78Å; V408-V416 HydrophobicContact CG1-CG2 3.67Å; T409-V416 WeakPolarHBondContact O-CA 3.44Å; T410-V416 HydrophobicContact CG2-CG2 4.1Å; V416-K418 HydrophobicContact CG1-CG 4.42Å; V416-K418 PolarHBondContact O-N 2.87Å
417L80.3Confident80Confident32 Ų3281.5 Ų81.517%0.16845%0.451CS..  trans-80.5112.7178.9-64.3172000110T409 A411 N415 Q422 V423 L429T409-L417 HydrophobicContact CG2-CD1 3.92Å; T409-L417 WeakPolarHBondContact O-CB 3.2Å; T409-L417 PolarHBondContact O-N 3.46Å; A411-L417 HydrophobicContact CB-CD1 4.42Å; A411-L417 HydrophobicContact CB-CD2 4.09Å; A411-L417 HydrophobicContact CB-CG 4.37Å; N415-L417 PolarHBondContact O-N 3.05Å; L417-Q422 HydrophobicContact CD2-CB 3.54Å; L417-V423 HydrophobicContact CD1-CG2 3.62Å; L417-V423 HydrophobicContact CD2-CG2 3.76Å; L417-V423 HydrophobicContact CG-CG2 4.24Å; L417-L429 HydrophobicContact CD1-CD1 4.33Å; L417-L429 HydrophobicContact CD1-CD2 3.36Å; L417-L429 HydrophobicContact CD1-CG 4.38Å
418K83.1Confident80.2Confident179 Ų17982.9 Ų82.978%0.77845%0.452SS*.  trans-107.6-19.9-179.6-63.7-179.6-178177.50112.6V416V416-K418 HydrophobicContact CG1-CG 4.42Å; V416-K418 PolarHBondContact O-N 2.87Å
419K80.8Confident80.3Confident151 Ų15181.6 Ų81.666%0.65744%0.443SS*.SBendtrans-138.3138.2-173.2-64.6179-176.4169.80109.5K421 Q422K419-K421 PolarHBondContact O-N 3.31Å; K419-Q422 HydrophobicContact CB-CG 4.32Å; K419-Q422 WeakPolarHBondContact O-CB 3.48Å; K419-Q422 WeakPolarHBondContact O-CG 3.37Å; K419-Q422 PolarHBondContact O-N 3.09Å; K419-Q422 PolarHBondContact O-OE1 2.8Å
420V78.6Confident80.4Confident78 Ų7881.7 Ų81.747%0.47344%0.444SS..G310 helixtrans-56.6-22177.1-175.60000113.2Q422 I445V420-Q422 PolarHBondContact O-N 2.98Å; V420-I445 HydrophobicContact CG1-CG2 3.2Å
421K78.8Confident80.4Confident202 Ų20281.9 Ų81.988%0.87845%0.445SS*.G310 helixtrans-71.4-9.4176.6-62.9-171.4176.6-1680114.6K419 V423K419-K421 PolarHBondContact O-N 3.31Å; K421-V423 VanDerWaalsContact C-N 3.33Å
422Q78.3Confident80.5Confident89 Ų8986.2 Ų86.242%0.41646%0.458SS..G310 helixtrans-924.8-175.1-62.6176.9-78.300113L417 K419 V420L417-Q422 HydrophobicContact CD2-CB 3.54Å; K419-Q422 HydrophobicContact CB-CG 4.32Å; K419-Q422 WeakPolarHBondContact O-CB 3.48Å; K419-Q422 WeakPolarHBondContact O-CG 3.37Å; K419-Q422 PolarHBondContact O-N 3.09Å; K419-Q422 PolarHBondContact O-OE1 2.8Å; V420-Q422 PolarHBondContact O-N 2.98Å
423V78.4Confident80.8Confident23 Ų2383.1 Ų83.114%0.13944%0.437CS..  trans-134146.7-173.8-169.30000109.2L417 K421 E427 L429 V442 I445L417-V423 HydrophobicContact CD1-CG2 3.62Å; L417-V423 HydrophobicContact CD2-CG2 3.76Å; L417-V423 HydrophobicContact CG-CG2 4.24Å; K421-V423 VanDerWaalsContact C-N 3.33Å; V423-E427 VanDerWaalsContact CA-OE2 3.31Å; V423-E427 WeakPolarHBondContact CA-OE2 3.27Å; V423-E427 HydrophobicContact CG1-CB 4.35Å; V423-L429 HydrophobicContact CG1-CD1 4.32Å; V423-L429 HydrophobicContact CG1-CD2 3.91Å; V423-L429 HydrophobicContact CG1-CG 4.47Å; V423-L429 HydrophobicContact CG2-CD2 4.23Å; V423-V442 HydrophobicContact CG1-CB 4.06Å; V423-V442 HydrophobicContact CG1-CG1 4.02Å; V423-V442 HydrophobicContact CG1-CG2 3.25Å; V423-I445 HydrophobicContact CB-CD1 4.41Å; V423-I445 WeakPolarHBondContact O-CD1 3.27Å
424K76.9Confident81Confident146 Ų14684.9 Ų84.964%0.63544%0.442SS*.  trans-115.8155.9170.6-63.9177.4-175.7170.70110.9G426 E427 V442K424-G426 PolarHBondContact O-N 3.37Å; K424-E427 HydrophobicContact CB-CG 4.19Å; K424-E427 PolarHBondContact N-OE2 3.49Å; K424-E427 WeakPolarHBondContact O-CB 3.38Å; K424-E427 PolarHBondContact O-N 3.45Å; K424-V442 WeakPolarHBondContact O-CB 3.36Å
425A80.1Confident81.1Confident71 Ų7189.6 Ų89.659%0.58746%0.455SS*.THydrogen-bonded Turntrans-60.6133.7170.800000109.8V442A425-V442 CarbonylContact C-O 3.53Å; A425-V442 WeakPolarHBondContact CA-O 3.29Å
426G78.3Confident81.2Confident45 Ų4586.1 Ų86.146%0.46444%0.442SS..THydrogen-bonded Turntrans89.1-4.5-174.400000115.6K424 V442K424-G426 PolarHBondContact O-N 3.37Å; G426-V442 PolarHBondContact N-O 3.1Å
427E83.2Confident81.4Confident75 Ų7590.5 Ų90.535%0.3545%0.451SS..  trans-78.2141.5174.7-77.8174.7177.600111.7V423 K424 V442V423-E427 VanDerWaalsContact CA-OE2 3.31Å; V423-E427 WeakPolarHBondContact CA-OE2 3.27Å; V423-E427 HydrophobicContact CG1-CB 4.35Å; K424-E427 HydrophobicContact CB-CG 4.19Å; K424-E427 PolarHBondContact N-OE2 3.49Å; K424-E427 WeakPolarHBondContact O-CB 3.38Å; K424-E427 PolarHBondContact O-N 3.45Å; E427-V442 WeakPolarHBondContact O-CG2 3.4Å; E427-V442 PolarHBondContact O-N 3.26Å
428M83.4Confident81.5Confident86 Ų8692.7 Ų92.742%0.42446%0.463SS..EExtended strand (participates in β ladder)trans-80.1135.6171.8-68.7-64.9-73.200110.4T412 E439 S440 E441T412-M428 HydrophobicContact CG2-CB 4.02Å; M428-E439 HydrophobicContact CE-CB 4.11Å; M428-S440 CarbonylContact C-O 3.54Å; M428-E441 HydrophobicContact SD-CB 3.95Å; M428-E441 HydrophobicContact SD-CG 4.3Å
429L86.2Confident81.7Confident27 Ų2791.1 Ų91.114%0.14146%0.458CS..EExtended strand (participates in β ladder)trans-121.1143178-57.8-174.6000109.6T409 L417 V423 E439 S440 V442T409-L429 HydrophobicContact CG2-CB 3.94Å; T409-L429 HydrophobicContact CG2-CD1 4.02Å; T409-L429 HydrophobicContact CG2-CG 4.46Å; L417-L429 HydrophobicContact CD1-CD1 4.33Å; L417-L429 HydrophobicContact CD1-CD2 3.36Å; L417-L429 HydrophobicContact CD1-CG 4.38Å; V423-L429 HydrophobicContact CG1-CD1 4.32Å; V423-L429 HydrophobicContact CG1-CD2 3.91Å; V423-L429 HydrophobicContact CG1-CG 4.47Å; V423-L429 HydrophobicContact CG2-CD2 4.23Å; L429-E439 CarbonylContact O-C 3.57Å; L429-E439 WeakPolarHBondContact O-CA 3.37Å; L429-S440 PolarHBondContact N-O 3.49Å; L429-S440 PolarHBondContact O-N 2.88Å; L429-V442 HydrophobicContact CD1-CG2 3.44Å; L429-V442 VanDerWaalsContact CD1-CG2 3.44Å; L429-V442 HydrophobicContact CD2-CG2 4.2Å; L429-V442 HydrophobicContact CG-CG2 3.61Å
430T84.9Confident81.8Confident36 Ų3686.1 Ų86.122%0.22144%0.442CS..EExtended strand (participates in β ladder)trans-107.3125168.815.70000108.8T409 T410 I438 E439T409-T430 CarbonylContact C-O 3.57Å; T409-T430 WeakPolarHBondContact CA-O 3.41Å; T410-T430 PolarHBondContact N-O 3.01Å; T410-T430 PolarHBondContact O-N 3.46Å; T410-T430 PolarHBondContact O-OG1 3.39Å; T410-T430 WeakPolarHBondContact OG1-CB 3.46Å; T410-T430 PolarHBondContact OG1-O 2.93Å; T410-T430 PolarHBondContact OG1-OG1 3.12Å; T430-I438 CarbonylContact C-O 3.54Å; T430-I438 WeakPolarHBondContact CA-O 3.4Å; T430-E439 HydrophobicContact CG2-CG 3.97Å
431T86.2Confident82.1Confident21 Ų2188.4 Ų88.413%0.12945%0.448CS..EExtended strand (participates in β ladder)trans-113.2116.8-179.8-59.20000109.1S407 W437 I438S407-T431 WeakPolarHBondContact OG-CG2 3.41Å; T431-W437 CarbonylContact O-C 3.59Å; T431-W437 WeakPolarHBondContact O-CA 3.21Å; T431-I438 PolarHBondContact N-O 3.37Å; T431-I438 PolarHBondContact O-N 3.23Å
432R81.9Confident82.3Confident107 Ų10779.6 Ų79.640%0.40441%0.411SS..EExtended strand (participates in β ladder)trans-84.4128.4174-175.3176.1179.3156.30.6110.8L402 S407 V408 W437L402-R432 HydrophobicContact CD2-CG 4.44Å; S407-R432 WeakPolarHBondContact CA-O 3.4Å; S407-R432 VanDerWaalsContact CB-O 3.26Å; S407-R432 WeakPolarHBondContact CB-O 3.36Å; V408-R432 HydrophobicContact CB-CB 4.35Å; V408-R432 PolarHBondContact N-O 2.67Å; V408-R432 PolarHBondContact O-N 3Å; R432-W437 HydrophobicContact CB-CD2 4.28Å; R432-W437 HydrophobicContact CB-CE3 3.83Å; R432-W437 HydrophobicContact CB-CH2 4.06Å; R432-W437 HydrophobicContact CB-CZ2 4.46Å; R432-W437 HydrophobicContact CB-CZ3 3.72Å; R432-W437 HydrophobicContact CG-CD2 4.36Å; R432-W437 HydrophobicContact CG-CE3 4.35Å; R432-W437 HydrophobicContact CG-CH2 4.12Å; R432-W437 HydrophobicContact CG-CZ2 4.09Å; R432-W437 HydrophobicContact CG-CZ3 4.25Å
433L81.1Confident82.5Confident58 Ų5884.6 Ų84.630%0.30443%0.431SS..  trans-107-178.2171.5-65.7175.1000110.7D435 G436 I438L433-D435 VanDerWaalsContact C-N 3.27Å; L433-D435 PolarHBondContact O-N 3.22Å; L433-G436 PolarHBondContact N-O 3.03Å; L433-I438 HydrophobicContact CD1-CD1 3.42Å; L433-I438 VanDerWaalsContact CD1-CD1 3.42Å; L433-I438 HydrophobicContact CD1-CG1 3.96Å; L433-I438 HydrophobicContact CG-CD1 4.35Å
434E79.1Confident82.6Confident141 Ų14189.2 Ų89.266%0.65946%0.455SS*.SBendtrans-57.9-41.6173.6-179.1176-172.100111.8
435D80.8Confident82.8Confident148 Ų14884.9 Ų84.979%0.79144%0.438SS*.SBendtrans-117.51-168.364-22.6000114L433L433-D435 VanDerWaalsContact C-N 3.27Å; L433-D435 PolarHBondContact O-N 3.22Å
436G81.1Confident82.8Confident25 Ų2589 Ų8926%0.25845%0.446SS..  trans-177.9-167.6-175.900000117.1L433L433-G436 PolarHBondContact N-O 3.03Å
437W87.2Confident82.6Confident160 Ų16091.8 Ų91.861%0.60646%0.455SS*.EExtended strand (participates in β ladder)trans-129.9138.7-178.5-59.883.2000109.7T431 R432T431-W437 CarbonylContact O-C 3.59Å; T431-W437 WeakPolarHBondContact O-CA 3.21Å; R432-W437 HydrophobicContact CB-CD2 4.28Å; R432-W437 HydrophobicContact CB-CE3 3.83Å; R432-W437 HydrophobicContact CB-CH2 4.06Å; R432-W437 HydrophobicContact CB-CZ2 4.46Å; R432-W437 HydrophobicContact CB-CZ3 3.72Å; R432-W437 HydrophobicContact CG-CD2 4.36Å; R432-W437 HydrophobicContact CG-CE3 4.35Å; R432-W437 HydrophobicContact CG-CH2 4.12Å; R432-W437 HydrophobicContact CG-CZ2 4.09Å; R432-W437 HydrophobicContact CG-CZ3 4.25Å
438I83.5Confident82.1Confident78 Ų7894.7 Ų94.740%0.448%0.478SS..EExtended strand (participates in β ladder)trans-121.1126.9176.8-61179000108.7T430 T431 L433T430-I438 CarbonylContact C-O 3.54Å; T430-I438 WeakPolarHBondContact CA-O 3.4Å; T431-I438 PolarHBondContact N-O 3.37Å; T431-I438 PolarHBondContact O-N 3.23Å; L433-I438 HydrophobicContact CD1-CD1 3.42Å; L433-I438 VanDerWaalsContact CD1-CD1 3.42Å; L433-I438 HydrophobicContact CD1-CG1 3.96Å; L433-I438 HydrophobicContact CG-CD1 4.35Å
439E86.5Confident80.4Confident146 Ų146100.4 Ų100.468%0.68250%0.5SS*.EExtended strand (participates in β ladder)trans-88.2135.2167.7-69.3-175.4171.600110.1M428 L429 T430M428-E439 HydrophobicContact CE-CB 4.11Å; L429-E439 CarbonylContact O-C 3.57Å; L429-E439 WeakPolarHBondContact O-CA 3.37Å; T430-E439 HydrophobicContact CG2-CG 3.97Å
440S83.1Confident78.6Confident47 Ų47109.1 Ų109.133%0.32954%0.537SS..EExtended strand (participates in β ladder)trans-144.6138.5-175.9-61.90000111.3M428 L429M428-S440 CarbonylContact C-O 3.54Å; L429-S440 PolarHBondContact N-O 3.49Å; L429-S440 PolarHBondContact O-N 2.88Å
441E85.6Confident76.5Confident125 Ų125112.9 Ų112.958%0.58457%0.565SS**EExtended strand (participates in β ladder)trans-97.7136.8174.2-168.2-169.5161.200110.7M428 K443M428-E441 HydrophobicContact SD-CB 3.95Å; M428-E441 HydrophobicContact SD-CG 4.3Å; E441-K443 PolarHBondContact O-N 2.98Å
442V83.5Confident74.4Confident17 Ų17123.7 Ų123.710%0.10360%0.603CS.*  trans-79.6106.1-176.5179.50000110.8V423 K424 A425 G426 E427 L429 I445V423-V442 HydrophobicContact CG1-CB 4.06Å; V423-V442 HydrophobicContact CG1-CG1 4.02Å; V423-V442 HydrophobicContact CG1-CG2 3.25Å; K424-V442 WeakPolarHBondContact O-CB 3.36Å; A425-V442 CarbonylContact C-O 3.53Å; A425-V442 WeakPolarHBondContact CA-O 3.29Å; G426-V442 PolarHBondContact N-O 3.1Å; E427-V442 WeakPolarHBondContact O-CG2 3.4Å; E427-V442 PolarHBondContact O-N 3.26Å; L429-V442 HydrophobicContact CD1-CG2 3.44Å; L429-V442 VanDerWaalsContact CD1-CG2 3.44Å; L429-V442 HydrophobicContact CD2-CG2 4.2Å; L429-V442 HydrophobicContact CG-CG2 3.61Å; V442-I445 HydrophobicContact CG1-CD1 4Å; V442-I445 HydrophobicContact CG1-CG1 3.67Å
443K81.3Confident72.2Confident194 Ų194128 Ų12884%0.84363%0.625SS**  trans-79.2-38.2177.2-66.5-171.2177.4-1780114.2E441E441-K443 PolarHBondContact O-N 2.98Å
444N80.5Confident70.3Confident120 Ų120135.4 Ų135.464%0.64266%0.655SS**  trans-156.7151.3-174.4-167.611.2000111.1
445I82.1Confident68.6Low55 Ų55134.8 Ų134.828%0.28266%0.66SS.*  trans-127.3113.8-176.2-61.1-178.3000109.5V420 V423 V442V420-I445 HydrophobicContact CG1-CG2 3.2Å; V423-I445 HydrophobicContact CB-CD1 4.41Å; V423-I445 WeakPolarHBondContact O-CD1 3.27Å; V442-I445 HydrophobicContact CG1-CD1 4Å; V442-I445 HydrophobicContact CG1-CG1 3.67Å
446Q78.5Confident66.5Low159 Ų159140.1 Ų140.174%0.74368%0.68SS**  trans-116.6106.1176.4-73.8-172.4-13.800111.4
447P74.3Confident65.7Low103 Ų103145.9 Ų145.967%0.66970%0.701SS**PPolyproline II helixtrans-76.6132.517627.7-30.9000112.2
448V72.7Confident64.6Low136 Ų136145.1 Ų145.182%0.82471%0.706SS**PPolyproline II helixtrans-74.6130.4174.8-176.70000110.7K450V448-K450 PolarHBondContact O-N 3.22Å
449K48Very low63.5Low205 Ų205148.8 Ų148.889%0.89172%0.723SS**PPolyproline II helixtrans-68.1123.5172-85.7-179.1176175.80110.4S451K449-S451 PolarHBondContact O-N 2.93Å
450K48.2Very low62.2Low211 Ų211149 Ų14992%0.91773%0.725SS**PPolyproline II helixtrans-66.8120.7179.8-83.9-176.9173.6-178.70112.5V448V448-K450 PolarHBondContact O-N 3.22Å
451S40.7Very low60.9Low115 Ų115155.4 Ų155.480%0.80475%0.75SS**PPolyproline II helixtrans-81.4139.4161.6171.30000110.8K449K449-S451 PolarHBondContact O-N 2.93Å
452R42.1Very low59.2Low248 Ų248157.4 Ų157.494%0.93676%0.761SS**PPolyproline II helixtrans-70.7121.9-179.2-83177164.6165.7-5.3110.9
453K37.1Very low57.5Low196 Ų196167.4 Ų167.485%0.85281%0.808SS**PPolyproline II helixtrans-65.3135.7167.7-81.4-178.7169.7-174.60111.2
454K40.6Very low55.7Low215 Ų215165.4 Ų165.494%0.93581%0.805SS**PPolyproline II helixtrans-98.1131.5149.8-85.3-174.1175.4-178.50107.8
455V42.6Very low53.6Low127 Ų127169.2 Ų169.277%0.7782%0.819SS**PPolyproline II helixtrans-97.7130.2175.1174.90000107.3
456H36.5Very low51Low260 Ų260179.5 Ų179.5100%1.20487%0.868SS**  trans-128.60154.6-101.3-50.7000107.5

Retrieved 456 of 456 residues in 429.2 ms (Link to these results)