A0A3Q0KDR6_SCHMA Loading...

Calcyphosine/tpp, putative

AlphaFold DB (A0A5K4EBC8), UniProt , Accession A0A3Q0KDR6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 217 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
1M49.7Very low66.3Low197 Ų197112.4 Ų112.497%0.9755%0.545SS*.  0-450-123.4-173.8-68.600112.2R5M1-R5 PolarHBondContact O-N 3.15Å
2E49.6Very low67.9Low176 Ų176112.3 Ų112.382%0.82254%0.542SS*.Hα-helixtrans-67.9-39.2177.6-69.5-175.5152.500114.1R5 S6E2-R5 PolarHBondContact O-N 3.29Å; E2-S6 PolarHBondContact O-N 2.85Å
3T56.1Low69Low99 Ų99110.5 Ų110.561%0.60753%0.531SS*.Hα-helixtrans-60-49.5178.747.20000112.4R5 S6 D7T3-R5 VanDerWaalsContact C-N 3.31Å; T3-R5 PolarHBondContact O-N 3.43Å; T3-S6 WeakPolarHBondContact O-CA 3.09Å; T3-S6 WeakPolarHBondContact O-CB 3.17Å; T3-S6 PolarHBondContact O-N 3.09Å; T3-S6 VanDerWaalsContact O-N 3.09Å; T3-D7 PolarHBondContact O-N 2.91Å
4E59.9Low70.1Confident125 Ų125102.6 Ų102.658%0.58449%0.493SS*.Hα-helixtrans-61.3-37.2179-66.4178.7175.800113.1S6 K8E4-S6 VanDerWaalsContact C-N 3.35Å; E4-K8 WeakPolarHBondContact O-CG 3.35Å; E4-K8 PolarHBondContact O-N 3.35Å; E4-K8 VanDerWaalsContact O-N 3.1Å
5R59.9Low71.2Confident208 Ų208106.7 Ų106.779%0.78550%0.501SS*.Hα-helixtrans-68.6-38.1176.5-168.9178.4-178.5-1780.7111M1 E2 T3 L9M1-R5 PolarHBondContact O-N 3.15Å; E2-R5 PolarHBondContact O-N 3.29Å; T3-R5 VanDerWaalsContact C-N 3.31Å; T3-R5 PolarHBondContact O-N 3.43Å; R5-L9 PolarHBondContact O-N 3.01Å
6S68.3Low72.1Confident63 Ų63109.6 Ų109.644%0.44151%0.511SS..Hα-helixtrans-64.6-46.5174.3-168.80000111.6E2 T3 E4 K8 L9 L10E2-S6 PolarHBondContact O-N 2.85Å; T3-S6 WeakPolarHBondContact O-CA 3.09Å; T3-S6 WeakPolarHBondContact O-CB 3.17Å; T3-S6 PolarHBondContact O-N 3.09Å; T3-S6 VanDerWaalsContact O-N 3.09Å; E4-S6 VanDerWaalsContact C-N 3.35Å; S6-K8 PolarHBondContact O-N 3.41Å; S6-L9 PolarHBondContact O-N 3.22Å; S6-L10 WeakPolarHBondContact O-CG 3.39Å; S6-L10 PolarHBondContact O-N 2.83Å
7D70.5Confident72.9Confident51 Ų51105.9 Ų105.927%0.27349%0.494SS..Hα-helixtrans-61.9-44.7-179.5-71.3-27.8000112T3 L9 L10 Q11 S38T3-D7 PolarHBondContact O-N 2.91Å; D7-L9 VanDerWaalsContact C-N 3.33Å; D7-L9 PolarHBondContact O-N 3.44Å; D7-L10 WeakPolarHBondContact O-CB 3.18Å; D7-L10 PolarHBondContact O-N 2.76Å; D7-Q11 WeakPolarHBondContact O-CG 3.43Å; D7-Q11 PolarHBondContact O-N 3.06Å; D7-S38 WeakPolarHBondContact OD1-CB 3.49Å; D7-S38 PolarHBondContact OD1-OG 3.34Å
8K78.4Confident73.5Confident137 Ų137102.7 Ų102.760%0.59648%0.481SS*.Hα-helixtrans-59.5-44.2175.6-74.7-179-178.5-179.20111.9E4 S6 L10 Q11 E12E4-K8 WeakPolarHBondContact O-CG 3.35Å; E4-K8 PolarHBondContact O-N 3.35Å; E4-K8 VanDerWaalsContact O-N 3.1Å; S6-K8 PolarHBondContact O-N 3.41Å; K8-L10 VanDerWaalsContact C-N 3.33Å; K8-L10 PolarHBondContact O-N 2.87Å; K8-Q11 PolarHBondContact O-N 3.18Å; K8-E12 WeakPolarHBondContact O-CG 3.47Å; K8-E12 PolarHBondContact O-N 3.3Å
9L79.1Confident74.1Confident87 Ų87102 Ų10246%0.45549%0.494SS..Hα-helixtrans-64-39.3177.5-177.666.6000111.8R5 S6 D7 E12 K13R5-L9 PolarHBondContact O-N 3.01Å; S6-L9 PolarHBondContact O-N 3.22Å; D7-L9 VanDerWaalsContact C-N 3.33Å; D7-L9 PolarHBondContact O-N 3.44Å; L9-E12 PolarHBondContact O-N 2.91Å; L9-K13 WeakPolarHBondContact O-CG 3.46Å; L9-K13 PolarHBondContact O-N 2.86Å
10L75.5Confident74.7Confident40 Ų40103 Ų10321%0.20950%0.496CS..Hα-helixtrans-64-43.9175.2-72.2168.5000111.3S6 D7 K8 K13 A14 L33 F107S6-L10 WeakPolarHBondContact O-CG 3.39Å; S6-L10 PolarHBondContact O-N 2.83Å; D7-L10 WeakPolarHBondContact O-CB 3.18Å; D7-L10 PolarHBondContact O-N 2.76Å; K8-L10 VanDerWaalsContact C-N 3.33Å; K8-L10 PolarHBondContact O-N 2.87Å; L10-K13 PolarHBondContact O-N 3Å; L10-A14 WeakPolarHBondContact O-CB 3.44Å; L10-A14 PolarHBondContact O-N 3.41Å; L10-L33 HydrophobicContact CB-CD1 4.27Å; L10-L33 HydrophobicContact CB-CD2 4.11Å; L10-L33 HydrophobicContact CB-CG 4.44Å; L10-F107 HydrophobicContact CB-CE2 4.38Å; L10-F107 HydrophobicContact CD2-CD2 3.57Å; L10-F107 HydrophobicContact CD2-CE2 3.71Å; L10-F107 WeakPolarHBondContact O-CE2 3.33Å
11Q82.3Confident75.1Confident53 Ų53105.6 Ų105.625%0.24851%0.513CS..Hα-helixtrans-62-44175.5-70.2177.8500111.8D7 K8 K13 A14 R15 L34D7-Q11 WeakPolarHBondContact O-CG 3.43Å; D7-Q11 PolarHBondContact O-N 3.06Å; K8-Q11 PolarHBondContact O-N 3.18Å; Q11-K13 VanDerWaalsContact C-N 3.32Å; Q11-K13 PolarHBondContact O-N 3Å; Q11-A14 WeakPolarHBondContact O-CB 3.47Å; Q11-A14 PolarHBondContact O-N 3.19Å; Q11-R15 WeakPolarHBondContact O-CG 3.43Å; Q11-R15 PolarHBondContact O-N 3.01Å; Q11-L34 HydrophobicContact CB-CD2 4.13Å; Q11-L34 VanDerWaalsContact O-CD2 3.26Å; Q11-L34 WeakPolarHBondContact O-CD2 3.38Å
12E85.5Confident76.7Confident111 Ų11197.2 Ų97.252%0.51947%0.472SS..Hα-helixtrans-59.8-41.9175.1-75.1176.8177.100112.2K8 L9 R15 K16K8-E12 WeakPolarHBondContact O-CG 3.47Å; K8-E12 PolarHBondContact O-N 3.3Å; L9-E12 PolarHBondContact O-N 2.91Å; E12-R15 PolarHBondContact O-N 3.27Å; E12-K16 WeakPolarHBondContact O-CG 3.36Å; E12-K16 PolarHBondContact O-N 3.44Å
13K82.7Confident78.5Confident90 Ų9095.9 Ų95.939%0.39146%0.463SS..Hα-helixtrans-64.6-41.2174-73.3177.4-179.1-179.10111.8L9 L10 Q11 K16 Q17 F107L9-K13 WeakPolarHBondContact O-CG 3.46Å; L9-K13 PolarHBondContact O-N 2.86Å; L10-K13 PolarHBondContact O-N 3Å; Q11-K13 VanDerWaalsContact C-N 3.32Å; Q11-K13 PolarHBondContact O-N 3Å; K13-K16 PolarHBondContact O-N 3.44Å; K13-Q17 PolarHBondContact O-N 3Å; K13-F107 HydrophobicContact CB-CD1 4.15Å; K13-F107 HydrophobicContact CB-CD2 4.11Å; K13-F107 HydrophobicContact CB-CE1 3.79Å; K13-F107 HydrophobicContact CB-CE2 3.75Å; K13-F107 HydrophobicContact CB-CG 4.3Å; K13-F107 HydrophobicContact CB-CZ 3.6Å; K13-F107 HydrophobicContact CD-CD2 4.11Å; K13-F107 HydrophobicContact CD-CE2 4.5Å; K13-F107 HydrophobicContact CD-CG 4.24Å
14A83.4Confident80Confident0 Ų092 Ų920%044%0.44CS..Hα-helixtrans-60.9-44.6176.700000111.5L10 Q11 K16 Q17 L18 Y30 L33 L34 F107L10-A14 WeakPolarHBondContact O-CB 3.44Å; L10-A14 PolarHBondContact O-N 3.41Å; Q11-A14 WeakPolarHBondContact O-CB 3.47Å; Q11-A14 PolarHBondContact O-N 3.19Å; A14-K16 VanDerWaalsContact C-N 3.27Å; A14-K16 PolarHBondContact O-N 2.64Å; A14-Q17 PolarHBondContact O-N 3.24Å; A14-Q17 VanDerWaalsContact O-N 3.1Å; A14-L18 PolarHBondContact O-N 3.44Å; A14-Y30 HydrophobicContact CB-CD1 4.09Å; A14-Y30 HydrophobicContact CB-CG 4.47Å; A14-L33 HydrophobicContact CB-CB 4.4Å; A14-L33 HydrophobicContact CB-CD2 3.88Å; A14-L33 HydrophobicContact CB-CG 4.33Å; A14-L34 HydrophobicContact CB-CD2 3.84Å; A14-L34 HydrophobicContact CB-CG 4.12Å; A14-F107 HydrophobicContact CB-CZ 3.95Å; A14-F107 VanDerWaalsContact N-CZ 3.31Å
15R86.9Confident81.3Confident164 Ų16486.3 Ų86.362%0.61941%0.413SS*.Hα-helixtrans-56.7-42.2175-68.7-171.3-177163.70.6111.9Q11 E12 L18 A19 L34Q11-R15 WeakPolarHBondContact O-CG 3.43Å; Q11-R15 PolarHBondContact O-N 3.01Å; E12-R15 PolarHBondContact O-N 3.27Å; R15-L18 PolarHBondContact O-N 2.67Å; R15-A19 PolarHBondContact O-N 3.48Å; R15-L34 HydrophobicContact CG-CD1 4.22Å; R15-L34 HydrophobicContact CG-CD2 3.43Å; R15-L34 VanDerWaalsContact CG-CD2 3.43Å; R15-L34 HydrophobicContact CG-CG 4.49Å
16K86.4Confident82.5Confident152 Ų15279.2 Ų79.266%0.66139%0.389SS*.Hα-helixtrans-66.5-35.2177.7-69.9178.8-177.6-179.40112.8E12 K13 A14E12-K16 WeakPolarHBondContact O-CG 3.36Å; E12-K16 PolarHBondContact O-N 3.44Å; K13-K16 PolarHBondContact O-N 3.44Å; A14-K16 VanDerWaalsContact C-N 3.27Å; A14-K16 PolarHBondContact O-N 2.64Å
17Q84.5Confident83.4Confident48 Ų4878.7 Ų78.722%0.22438%0.379CS..Hα-helixtrans-73.9-38.6176.8-62.7-60.5-15.300112K13 A14 A19 K20 L22 Y30 F107K13-Q17 PolarHBondContact O-N 3Å; A14-Q17 PolarHBondContact O-N 3.24Å; A14-Q17 VanDerWaalsContact O-N 3.1Å; Q17-A19 PolarHBondContact O-N 3.22Å; Q17-A19 VanDerWaalsContact O-N 3.1Å; Q17-K20 VanDerWaalsContact O-CB 3.31Å; Q17-K20 WeakPolarHBondContact O-CB 3.42Å; Q17-K20 PolarHBondContact O-N 2.82Å; Q17-L22 VanDerWaalsContact O-CD1 3.29Å; Q17-L22 WeakPolarHBondContact O-CD1 3.23Å; Q17-Y30 HydrophobicContact CB-CD1 4.25Å; Q17-Y30 HydrophobicContact CB-CD2 3.78Å; Q17-Y30 HydrophobicContact CB-CE1 3.93Å; Q17-Y30 HydrophobicContact CB-CE2 3.43Å; Q17-Y30 VanDerWaalsContact CB-CE2 3.43Å; Q17-Y30 HydrophobicContact CB-CG 4.19Å; Q17-Y30 HydrophobicContact CG-CE1 3.9Å; Q17-Y30 HydrophobicContact CG-CE2 4.09Å; Q17-F107 HydrophobicContact CG-CD1 4.17Å; Q17-F107 HydrophobicContact CG-CE1 3.67Å
18L84.8Confident84.2Confident47 Ų4776.4 Ų76.425%0.24637%0.367CS..Hα-helixtrans-62.2-16.1177.2-77.6164.3000114.2A14 R15 K20 L22 K27 Y30 Q31 L34A14-L18 PolarHBondContact O-N 3.44Å; R15-L18 PolarHBondContact O-N 2.67Å; L18-K20 VanDerWaalsContact C-N 3.25Å; L18-L22 HydrophobicContact CD2-CD1 4.43Å; L18-K27 HydrophobicContact CD2-CB 4.49Å; L18-Y30 HydrophobicContact CG-CD2 4.45Å; L18-Y30 HydrophobicContact CG-CG 4.38Å; L18-Q31 HydrophobicContact CD1-CG 4.24Å; L18-Q31 HydrophobicContact CD2-CG 4.08Å; L18-L34 HydrophobicContact CD1-CD1 3.34Å; L18-L34 HydrophobicContact CD1-CG 4.09Å
19A83.7Confident84.6Confident90 Ų9072.2 Ų72.274%0.74435%0.347SS*.THydrogen-bonded Turntrans-79-6.2171.900000113.7R15 Q17R15-A19 PolarHBondContact O-N 3.48Å; Q17-A19 PolarHBondContact O-N 3.22Å; Q17-A19 VanDerWaalsContact O-N 3.1Å
20K85.9Confident85Confident122 Ų12269.3 Ų69.353%0.5333%0.33SS..SBendtrans-97.9163.3177.6-57.5-179.3-176.7171.50110.5Q17 L18 L22Q17-K20 VanDerWaalsContact O-CB 3.31Å; Q17-K20 WeakPolarHBondContact O-CB 3.42Å; Q17-K20 PolarHBondContact O-N 2.82Å; L18-K20 VanDerWaalsContact C-N 3.25Å; K20-L22 HydrophobicContact CB-CG 4.44Å; K20-L22 PolarHBondContact O-N 3.23Å
21D84.3Confident85.5Confident158 Ų15869.7 Ų69.785%0.84533%0.331SS*.  trans-71.8122.2165.3-167.121000109.2
22L83.9Confident85.7Confident20 Ų2067.4 Ų67.411%0.10532%0.321CS..  trans-134.9149.7-168.6-72.1177.6000109.2Q17 L18 K20 E26 K27 Y30Q17-L22 VanDerWaalsContact O-CD1 3.29Å; Q17-L22 WeakPolarHBondContact O-CD1 3.23Å; L18-L22 HydrophobicContact CD2-CD1 4.43Å; K20-L22 HydrophobicContact CB-CG 4.44Å; K20-L22 PolarHBondContact O-N 3.23Å; L22-E26 HydrophobicContact CB-CB 4.1Å; L22-E26 HydrophobicContact CD1-CB 4.47Å; L22-E26 HydrophobicContact CD2-CB 4.31Å; L22-K27 HydrophobicContact CB-CG 3.88Å; L22-K27 HydrophobicContact CD1-CG 4.45Å; L22-K27 WeakPolarHBondContact O-CE 3.48Å; L22-Y30 HydrophobicContact CD1-CD2 3.41Å; L22-Y30 VanDerWaalsContact CD1-CD2 3.41Å; L22-Y30 HydrophobicContact CD1-CE2 3.5Å; L22-Y30 HydrophobicContact CD2-CE2 3.97Å; L22-Y30 HydrophobicContact CG-CE2 4.4Å
23K86.9Confident85.5Confident148 Ų14862.4 Ų62.464%0.64330%0.298SS*.  trans-61.9152.7170.9-65.4-173.7177-170.80110.6I25 E26 K27K23-I25 VanDerWaalsContact C-N 3.29Å; K23-I25 HydrophobicContact CB-CG2 4.41Å; K23-I25 PolarHBondContact O-N 3.26Å; K23-E26 HydrophobicContact CB-CG 4.22Å; K23-E26 PolarHBondContact N-OE2 2.98Å; K23-E26 WeakPolarHBondContact O-CB 3.37Å; K23-E26 PolarHBondContact O-N 3.4Å; K23-K27 PolarHBondContact O-N 3.18Å; K23-K27 VanDerWaalsContact O-N 3.07Å
24P88.1Confident85.6Confident19 Ų1960.1 Ų60.112%0.12329%0.289CS..Hα-helixtrans-49.5-46.6179.4-31.237.7000113.7E26 K27 L28 L74 E78 I82P24-E26 VanDerWaalsContact C-N 3.3Å; P24-E26 PolarHBondContact O-N 3.35Å; P24-K27 WeakPolarHBondContact O-CB 3.14Å; P24-K27 PolarHBondContact O-N 3.36Å; P24-L28 PolarHBondContact O-N 2.87Å; P24-L28 VanDerWaalsContact O-N 3.13Å; P24-L74 HydrophobicContact CB-CD2 4.07Å; P24-E78 HydrophobicContact CB-CB 4.08Å; P24-E78 HydrophobicContact CB-CG 4.27Å; P24-E78 HydrophobicContact CG-CB 4.08Å; P24-E78 HydrophobicContact CG-CG 3.74Å; P24-I82 VanDerWaalsContact C-CD1 3.44Å; P24-I82 HydrophobicContact CB-CD1 3.63Å; P24-I82 HydrophobicContact CB-CG1 3.66Å; P24-I82 WeakPolarHBondContact O-CD1 3.35Å
25I86.2Confident85.6Confident4 Ų465.7 Ų65.72%0.02131%0.31CS..Hα-helixtrans-63.5-33.7178.8-167.3165.7000113K23 R29 I82 E85 I86K23-I25 VanDerWaalsContact C-N 3.29Å; K23-I25 HydrophobicContact CB-CG2 4.41Å; K23-I25 PolarHBondContact O-N 3.26Å; I25-R29 VanDerWaalsContact O-CB 3.23Å; I25-R29 WeakPolarHBondContact O-CB 3.26Å; I25-R29 VanDerWaalsContact O-CG 3.3Å; I25-R29 WeakPolarHBondContact O-CG 3.39Å; I25-R29 PolarHBondContact O-N 2.99Å; I25-I82 HydrophobicContact CB-CG1 4.3Å; I25-I82 HydrophobicContact CG1-CG2 4.35Å; I25-E85 HydrophobicContact CD1-CG 4.17Å; I25-I86 HydrophobicContact CD1-CG1 4.38Å
26E85.5Confident85.1Confident60 Ų6059.2 Ų59.228%0.2830%0.295SS..Hα-helixtrans-71.5-38.2177.6-64.7179.2125.100111.5L22 K23 P24 R29 Y30L22-E26 HydrophobicContact CB-CB 4.1Å; L22-E26 HydrophobicContact CD1-CB 4.47Å; L22-E26 HydrophobicContact CD2-CB 4.31Å; K23-E26 HydrophobicContact CB-CG 4.22Å; K23-E26 PolarHBondContact N-OE2 2.98Å; K23-E26 WeakPolarHBondContact O-CB 3.37Å; K23-E26 PolarHBondContact O-N 3.4Å; P24-E26 VanDerWaalsContact C-N 3.3Å; P24-E26 PolarHBondContact O-N 3.35Å; E26-R29 WeakPolarHBondContact O-CB 3.33Å; E26-R29 PolarHBondContact O-N 3.35Å; E26-Y30 HydrophobicContact CB-CE2 4.2Å; E26-Y30 WeakPolarHBondContact O-CD2 3.43Å; E26-Y30 PolarHBondContact O-N 2.83Å
27K87.1Confident84.6Confident52 Ų5252.3 Ų52.323%0.22627%0.266CS..Hα-helixtrans-58.8-49.9172.7-65.3177.2-176.8168.70110.5L18 L22 K23 P24 R29 Y30 Q31 V72 L74 E78L18-K27 HydrophobicContact CD2-CB 4.49Å; L22-K27 HydrophobicContact CB-CG 3.88Å; L22-K27 HydrophobicContact CD1-CG 4.45Å; L22-K27 WeakPolarHBondContact O-CE 3.48Å; K23-K27 PolarHBondContact O-N 3.18Å; K23-K27 VanDerWaalsContact O-N 3.07Å; P24-K27 WeakPolarHBondContact O-CB 3.14Å; P24-K27 PolarHBondContact O-N 3.36Å; K27-R29 PolarHBondContact O-N 3.44Å; K27-Y30 PolarHBondContact O-N 2.92Å; K27-Q31 WeakPolarHBondContact O-CB 3.26Å; K27-Q31 VanDerWaalsContact O-CG 3.26Å; K27-Q31 WeakPolarHBondContact O-CG 3.39Å; K27-Q31 PolarHBondContact O-N 3.17Å; K27-V72 HydrophobicContact CB-CG1 4.08Å; K27-L74 HydrophobicContact CD-CD2 3.95Å; K27-E78 IonicContact NZ-OE1 3.69Å
28L87.9Confident84Confident3 Ų351.7 Ų51.72%0.01627%0.267CS..Hα-helixtrans-58.2-50.2178.4178.660.3000111.5P24 Y30 Q31 C32 F63 V72 I82 L103P24-L28 PolarHBondContact O-N 2.87Å; P24-L28 VanDerWaalsContact O-N 3.13Å; L28-Y30 PolarHBondContact O-N 3.32Å; L28-Q31 PolarHBondContact O-N 3.35Å; L28-Q31 VanDerWaalsContact O-N 3.16Å; L28-C32 PolarHBondContact O-N 2.89Å; L28-C32 PolarHBondContact O-SG 3.01Å; L28-C32 VanDerWaalsContact O-SG 3.33Å; L28-F63 HydrophobicContact CD2-CE2 4.1Å; L28-F63 HydrophobicContact CD2-CZ 3.66Å; L28-V72 HydrophobicContact CD1-CG2 3.83Å; L28-I82 HydrophobicContact CB-CD1 4.34Å; L28-I82 HydrophobicContact CD2-CD1 4.38Å; L28-I82 HydrophobicContact CD2-CG2 3.85Å; L28-L103 HydrophobicContact CD2-CD2 3.65Å; L28-L103 HydrophobicContact CG-CD2 3.73Å
29R86.5Confident83.3Confident49 Ų4949.9 Ų49.919%0.18526%0.26CS..Hα-helixtrans-47.8-55174.1-94.1176.6-178.2144.915.6113.5I25 E26 K27 Q31 C32 L33 S102 L103 V105I25-R29 VanDerWaalsContact O-CB 3.23Å; I25-R29 WeakPolarHBondContact O-CB 3.26Å; I25-R29 VanDerWaalsContact O-CG 3.3Å; I25-R29 WeakPolarHBondContact O-CG 3.39Å; I25-R29 PolarHBondContact O-N 2.99Å; E26-R29 WeakPolarHBondContact O-CB 3.33Å; E26-R29 PolarHBondContact O-N 3.35Å; K27-R29 PolarHBondContact O-N 3.44Å; R29-Q31 PolarHBondContact O-N 2.97Å; R29-C32 PolarHBondContact O-N 3.39Å; R29-L33 PolarHBondContact O-N 3.2Å; R29-L33 VanDerWaalsContact O-N 3.1Å; R29-S102 PolarHBondContact NE-O 3.05Å; R29-S102 PolarHBondContact NH2-O 3.31Å; R29-L103 HydrophobicContact CG-CD2 4.44Å; R29-V105 HydrophobicContact CB-CG2 3.3Å; R29-V105 HydrophobicContact CG-CG2 3.62Å; R29-V105 WeakPolarHBondContact O-CG2 2.81Å
30Y86.4Confident83Confident26 Ų2648.1 Ų48.110%0.10224%0.237CC..Hα-helixtrans-69-34-179.3-65.6-51.9000112.4A14 Q17 L18 L22 E26 K27 L28 L33 L34 V105 F107A14-Y30 HydrophobicContact CB-CD1 4.09Å; A14-Y30 HydrophobicContact CB-CG 4.47Å; Q17-Y30 HydrophobicContact CB-CD1 4.25Å; Q17-Y30 HydrophobicContact CB-CD2 3.78Å; Q17-Y30 HydrophobicContact CB-CE1 3.93Å; Q17-Y30 HydrophobicContact CB-CE2 3.43Å; Q17-Y30 VanDerWaalsContact CB-CE2 3.43Å; Q17-Y30 HydrophobicContact CB-CG 4.19Å; Q17-Y30 HydrophobicContact CG-CE1 3.9Å; Q17-Y30 HydrophobicContact CG-CE2 4.09Å; L18-Y30 HydrophobicContact CG-CD2 4.45Å; L18-Y30 HydrophobicContact CG-CG 4.38Å; L22-Y30 HydrophobicContact CD1-CD2 3.41Å; L22-Y30 VanDerWaalsContact CD1-CD2 3.41Å; L22-Y30 HydrophobicContact CD1-CE2 3.5Å; L22-Y30 HydrophobicContact CD2-CE2 3.97Å; L22-Y30 HydrophobicContact CG-CE2 4.4Å; E26-Y30 HydrophobicContact CB-CE2 4.2Å; E26-Y30 WeakPolarHBondContact O-CD2 3.43Å; E26-Y30 PolarHBondContact O-N 2.83Å; K27-Y30 PolarHBondContact O-N 2.92Å; L28-Y30 PolarHBondContact O-N 3.32Å; Y30-L33 PolarHBondContact O-N 3.04Å; Y30-L34 WeakPolarHBondContact O-CG 3.43Å; Y30-L34 PolarHBondContact O-N 3.11Å; Y30-V105 HydrophobicContact CD1-CG1 4.01Å; Y30-V105 HydrophobicContact CE1-CG1 3.65Å; Y30-F107 AromaticContact CD1-CE1 3.84Å; Y30-F107 HydrophobicContact CD1-CE1 3.84Å; Y30-F107 AromaticContact CD1-CZ 3.9Å; Y30-F107 HydrophobicContact CD1-CZ 3.9Å; Y30-F107 HydrophobicContact CE1-CD1 4.03Å; Y30-F107 AromaticContact CE1-CE1 3.26Å; Y30-F107 HydrophobicContact CE1-CE1 3.26Å; Y30-F107 AromaticContact CE1-CZ 3.76Å; Y30-F107 HydrophobicContact CE1-CZ 3.76Å
31Q87.6Confident82.6Confident47 Ų4745.7 Ų45.722%0.2224%0.24CC..Hα-helixtrans-65.9-43175.4-72.2-69.12.500112.2L18 K27 L28 R29 L33 L34 R35 V72L18-Q31 HydrophobicContact CD1-CG 4.24Å; L18-Q31 HydrophobicContact CD2-CG 4.08Å; K27-Q31 WeakPolarHBondContact O-CB 3.26Å; K27-Q31 VanDerWaalsContact O-CG 3.26Å; K27-Q31 WeakPolarHBondContact O-CG 3.39Å; K27-Q31 PolarHBondContact O-N 3.17Å; L28-Q31 PolarHBondContact O-N 3.35Å; L28-Q31 VanDerWaalsContact O-N 3.16Å; R29-Q31 PolarHBondContact O-N 2.97Å; Q31-L33 VanDerWaalsContact C-N 3.29Å; Q31-L33 PolarHBondContact O-N 3.5Å; Q31-L34 WeakPolarHBondContact O-CB 3.49Å; Q31-L34 PolarHBondContact O-N 3.19Å; Q31-R35 WeakPolarHBondContact O-CG 3.42Å; Q31-R35 PolarHBondContact O-N 3.01Å; Q31-V72 HydrophobicContact CB-CG2 3.76Å; Q31-V72 HydrophobicContact CG-CB 4.44Å; Q31-V72 HydrophobicContact CG-CG1 4.17Å; Q31-V72 HydrophobicContact CG-CG2 3.89Å
32C85.4Confident82.6Confident5 Ų538.9 Ų38.93%0.03421%0.207CC..Hα-helixtrans-58.3-43.3172.4-67.90000111.2L28 R29 L34 R35 A37L28-C32 PolarHBondContact O-N 2.89Å; L28-C32 PolarHBondContact O-SG 3.01Å; L28-C32 VanDerWaalsContact O-SG 3.33Å; R29-C32 PolarHBondContact O-N 3.39Å; C32-L34 VanDerWaalsContact C-N 3.35Å; C32-L34 PolarHBondContact O-N 3.31Å; C32-R35 PolarHBondContact O-N 3.39Å; C32-R35 VanDerWaalsContact O-N 3.07Å; C32-A37 HydrophobicContact CB-CB 4.1Å; C32-A37 WeakPolarHBondContact O-CB 3.48Å; C32-A37 PolarHBondContact O-N 2.71Å; C32-A37 VanDerWaalsContact O-N 3.07Å
33L82.6Confident82.7Confident7 Ų738 Ų384%0.03720%0.203CC..Hα-helixtrans-62.3-39.9176.9-173.261.9000112.4L10 A14 R29 Y30 Q31 R35 G36 V105 F107L10-L33 HydrophobicContact CB-CD1 4.27Å; L10-L33 HydrophobicContact CB-CD2 4.11Å; L10-L33 HydrophobicContact CB-CG 4.44Å; A14-L33 HydrophobicContact CB-CB 4.4Å; A14-L33 HydrophobicContact CB-CD2 3.88Å; A14-L33 HydrophobicContact CB-CG 4.33Å; R29-L33 PolarHBondContact O-N 3.2Å; R29-L33 VanDerWaalsContact O-N 3.1Å; Y30-L33 PolarHBondContact O-N 3.04Å; Q31-L33 VanDerWaalsContact C-N 3.29Å; Q31-L33 PolarHBondContact O-N 3.5Å; L33-R35 PolarHBondContact O-N 3.37Å; L33-G36 PolarHBondContact O-N 2.76Å; L33-G36 VanDerWaalsContact O-N 3.07Å; L33-V105 HydrophobicContact CD2-CB 4.45Å; L33-F107 HydrophobicContact CD2-CE2 3.39Å; L33-F107 HydrophobicContact CD2-CZ 3.62Å
34L84.6Confident82.7Confident41 Ų4131.1 Ų31.122%0.21517%0.174CC..Hα-helixtrans-60.1-29.3174-71.9-175.8000113.2Q11 A14 R15 L18 Y30 Q31 C32 G36Q11-L34 HydrophobicContact CB-CD2 4.13Å; Q11-L34 VanDerWaalsContact O-CD2 3.26Å; Q11-L34 WeakPolarHBondContact O-CD2 3.38Å; A14-L34 HydrophobicContact CB-CD2 3.84Å; A14-L34 HydrophobicContact CB-CG 4.12Å; R15-L34 HydrophobicContact CG-CD1 4.22Å; R15-L34 HydrophobicContact CG-CD2 3.43Å; R15-L34 VanDerWaalsContact CG-CD2 3.43Å; R15-L34 HydrophobicContact CG-CG 4.49Å; L18-L34 HydrophobicContact CD1-CD1 3.34Å; L18-L34 HydrophobicContact CD1-CG 4.09Å; Y30-L34 WeakPolarHBondContact O-CG 3.43Å; Y30-L34 PolarHBondContact O-N 3.11Å; Q31-L34 WeakPolarHBondContact O-CB 3.49Å; Q31-L34 PolarHBondContact O-N 3.19Å; C32-L34 VanDerWaalsContact C-N 3.35Å; C32-L34 PolarHBondContact O-N 3.31Å; L34-G36 PolarHBondContact O-N 3.46Å
35R83.5Confident82.7Confident117 Ų11737.9 Ų37.944%0.44220%0.196SC..THydrogen-bonded Turntrans-84.79.2177.5-62.6-129177154.8-4.3114.1Q31 C32 L33 Q46 D69 F70Q31-R35 WeakPolarHBondContact O-CG 3.42Å; Q31-R35 PolarHBondContact O-N 3.01Å; C32-R35 PolarHBondContact O-N 3.39Å; C32-R35 VanDerWaalsContact O-N 3.07Å; L33-R35 PolarHBondContact O-N 3.37Å; R35-Q46 PolarHBondContact O-NE2 3.45Å; R35-D69 PolarHBondContact NH1-O 2.63Å; R35-D69 PolarHBondContact NH2-O 3.05Å; R35-F70 HydrophobicContact CB-CD1 4.42Å; R35-F70 HydrophobicContact CB-CE1 4.22Å; R35-F70 HydrophobicContact CG-CD1 3.93Å; R35-F70 HydrophobicContact CG-CE1 4.19Å; R35-F70 VanDerWaalsContact CZ-C 3.49Å; R35-F70 VanDerWaalsContact CZ-O 3.32Å; R35-F70 VanDerWaalsContact NH1-CA 3.31Å; R35-F70 PolarHBondContact NH2-O 3Å
36G76.2Confident82.8Confident29 Ų2938.7 Ų38.730%0.29920%0.2SC..THydrogen-bonded Turntrans81.817.9-179.600000113.9L33 L34 S38L33-G36 PolarHBondContact O-N 2.76Å; L33-G36 VanDerWaalsContact O-N 3.07Å; L34-G36 PolarHBondContact O-N 3.46Å; G36-S38 PolarHBondContact O-N 2.81Å
37A76.1Confident83.1Confident7 Ų736.2 Ų36.26%0.05819%0.189CC..  trans-81.153.4170.200000111.3C32 I43 Q46C32-A37 HydrophobicContact CB-CB 4.1Å; C32-A37 WeakPolarHBondContact O-CB 3.48Å; C32-A37 PolarHBondContact O-N 2.71Å; C32-A37 VanDerWaalsContact O-N 3.07Å; A37-I43 HydrophobicContact CB-CG1 3.85Å; A37-Q46 HydrophobicContact CB-CG 4.01Å
38S71Confident83.4Confident34 Ų3441.6 Ų41.624%0.23821%0.208CC..  trans-83.3-28.6-177.956.70000113.8D7 G36D7-S38 WeakPolarHBondContact OD1-CB 3.49Å; D7-S38 PolarHBondContact OD1-OG 3.34Å; G36-S38 PolarHBondContact O-N 2.81Å
39G70Confident83.5Confident9 Ų946.2 Ų46.29%0.09323%0.231CC..SBendtrans-128.6178.3178.500000112.7A41 G42 I43G39-A41 PolarHBondContact O-N 3.29Å; G39-G42 PolarHBondContact O-N 2.99Å; G39-I43 PolarHBondContact O-N 3.11Å
40I76.8Confident83.8Confident53 Ų5344.2 Ų44.227%0.27222%0.224SC..Hα-helixtrans-57.8-37.5-176.5-167165.4000112.4G42 G44 F96 L100I40-G42 PolarHBondContact O-N 2.91Å; I40-G44 PolarHBondContact O-N 2.87Å; I40-F96 HydrophobicContact CG1-CE1 4.44Å; I40-F96 HydrophobicContact CG1-CZ 4.18Å; I40-L100 HydrophobicContact CB-CD1 4.42Å; I40-L100 HydrophobicContact CD1-CD2 3.8Å; I40-L100 HydrophobicContact CG1-CD1 4.01Å; I40-L100 HydrophobicContact CG1-CD2 4.04Å
41A78.5Confident84.2Confident71 Ų7143.8 Ų43.859%0.58722%0.223SC*.Hα-helixtrans-67.3-3617800000112.7G39 R45G39-A41 PolarHBondContact O-N 3.29Å; A41-R45 WeakPolarHBondContact O-CB 3.14Å; A41-R45 PolarHBondContact O-N 2.9Å
42G83.8Confident84.5Confident15 Ų1546.1 Ų46.116%0.15524%0.237CC..Hα-helixtrans-70.9-48.2176.500000111.2G39 I40 R45 Q46G39-G42 PolarHBondContact O-N 2.99Å; I40-G42 PolarHBondContact O-N 2.91Å; G42-R45 WeakPolarHBondContact O-CB 3.43Å; G42-R45 PolarHBondContact O-N 3.03Å; G42-Q46 WeakPolarHBondContact O-CG 3.38Å; G42-Q46 PolarHBondContact O-N 3.37Å; G42-Q46 VanDerWaalsContact O-N 3.08Å
43I85.3Confident84.9Confident3 Ų350.7 Ų50.72%0.01526%0.262CS..Hα-helixtrans-62-46.5176.8-64.5170.2000110.6A37 G39 R45 Q46 F47 F99 L100 R104A37-I43 HydrophobicContact CB-CG1 3.85Å; G39-I43 PolarHBondContact O-N 3.11Å; I43-R45 VanDerWaalsContact C-N 3.27Å; I43-R45 PolarHBondContact O-N 2.92Å; I43-Q46 WeakPolarHBondContact O-CB 3.34Å; I43-Q46 PolarHBondContact O-N 3.31Å; I43-F47 PolarHBondContact O-N 2.82Å; I43-F99 HydrophobicContact CG2-CD1 3.65Å; I43-F99 HydrophobicContact CG2-CE1 3.75Å; I43-L100 HydrophobicContact CB-CD1 4.02Å; I43-L100 HydrophobicContact CD1-CD1 3.7Å; I43-L100 HydrophobicContact CG1-CD1 4.45Å; I43-L100 HydrophobicContact CG2-CD1 3.85Å; I43-R104 HydrophobicContact CD1-CB 4.11Å; I43-R104 HydrophobicContact CD1-CG 4.26Å
44G88.3Confident85.4Confident3 Ų352.7 Ų52.73%0.03128%0.284CS..Hα-helixtrans-63-29.9175.900000114.1I40 R48 F96I40-G44 PolarHBondContact O-N 2.87Å; G44-R48 WeakPolarHBondContact O-CG 3.37Å; G44-R48 VanDerWaalsContact O-CZ 3.3Å; G44-R48 PolarHBondContact O-N 3.46Å; G44-R48 PolarHBondContact O-NH1 2.65Å; G44-R48 VanDerWaalsContact O-NH1 3.16Å; G44-F96 VanDerWaalsContact CA-CE2 3.47Å
45R88.3Confident85.9Confident160 Ų16053.7 Ų53.760%0.60429%0.289SS*.Hα-helixtrans-66.6-44.1170.5-173.4-171.7-54.8-1460.3111.1A41 G42 I43 R48 I49A41-R45 WeakPolarHBondContact O-CB 3.14Å; A41-R45 PolarHBondContact O-N 2.9Å; G42-R45 WeakPolarHBondContact O-CB 3.43Å; G42-R45 PolarHBondContact O-N 3.03Å; I43-R45 VanDerWaalsContact C-N 3.27Å; I43-R45 PolarHBondContact O-N 2.92Å; R45-R48 PolarHBondContact O-N 2.68Å; R45-I49 HydrophobicContact CG-CD1 4.04Å; R45-I49 WeakPolarHBondContact O-CD1 3.12Å; R45-I49 VanDerWaalsContact O-CG1 3.28Å; R45-I49 WeakPolarHBondContact O-CG1 3.31Å; R45-I49 PolarHBondContact O-N 3.33Å
46Q88.4Confident86.3Confident21 Ų2155.9 Ų55.910%0.09830%0.302CS..Hα-helixtrans-64-45.2178.1-63-49.1-7.600111.6R35 A37 G42 I43 R48 I49 I50 F70R35-Q46 PolarHBondContact O-NE2 3.45Å; A37-Q46 HydrophobicContact CB-CG 4.01Å; G42-Q46 WeakPolarHBondContact O-CG 3.38Å; G42-Q46 PolarHBondContact O-N 3.37Å; G42-Q46 VanDerWaalsContact O-N 3.08Å; I43-Q46 WeakPolarHBondContact O-CB 3.34Å; I43-Q46 PolarHBondContact O-N 3.31Å; Q46-R48 VanDerWaalsContact C-N 3.34Å; Q46-R48 PolarHBondContact O-N 3.38Å; Q46-I49 WeakPolarHBondContact O-CB 3.4Å; Q46-I49 PolarHBondContact O-N 2.88Å; Q46-I50 VanDerWaalsContact O-CG1 3.31Å; Q46-I50 WeakPolarHBondContact O-CG1 3.46Å; Q46-I50 PolarHBondContact O-N 3.43Å; Q46-F70 HydrophobicContact CB-CE1 4.32Å; Q46-F70 HydrophobicContact CB-CZ 3.68Å; Q46-F70 VanDerWaalsContact CD-CE1 3.48Å; Q46-F70 VanDerWaalsContact CD-CZ 3.49Å; Q46-F70 HydrophobicContact CG-CE1 3.84Å; Q46-F70 HydrophobicContact CG-CZ 3.71Å
47F91.7Very high87.3Confident8 Ų858 Ų584%0.03530%0.303CS..Hα-helixtrans-53.6-50.5176-172.2-89.8000111.7I43 I49 I50 D51 K56 L58 F96 F99I43-F47 PolarHBondContact O-N 2.82Å; F47-I49 PolarHBondContact O-N 3.43Å; F47-I50 PolarHBondContact O-N 2.97Å; F47-I50 VanDerWaalsContact O-N 3.1Å; F47-D51 HydrophobicContact CE1-CB 4.47Å; F47-D51 WeakPolarHBondContact O-CB 3.32Å; F47-D51 PolarHBondContact O-N 3.43Å; F47-K56 WeakPolarHBondContact CZ-O 3.46Å; F47-L58 HydrophobicContact CD2-CD1 3.86Å; F47-L58 HydrophobicContact CD2-CG 4.1Å; F47-L58 HydrophobicContact CE2-CD1 3.84Å; F47-L58 HydrophobicContact CE2-CD2 4.3Å; F47-L58 HydrophobicContact CE2-CG 3.64Å; F47-L58 HydrophobicContact CZ-CD2 4.37Å; F47-L58 HydrophobicContact CZ-CG 4.03Å; F47-F96 HydrophobicContact CB-CD2 4.01Å; F47-F96 HydrophobicContact CB-CE2 4.21Å; F47-F96 HydrophobicContact CD1-CD2 4.05Å; F47-F96 HydrophobicContact CD2-CD2 4.03Å; F47-F96 HydrophobicContact CE1-CB 4.35Å; F47-F96 HydrophobicContact CE2-CB 4.37Å; F47-F96 HydrophobicContact CE2-CD2 4.49Å; F47-F96 AromaticContact CG-CD2 3.76Å; F47-F96 HydrophobicContact CG-CD2 3.76Å; F47-F96 HydrophobicContact CG-CE2 4.45Å; F47-F96 HydrophobicContact CZ-CB 4.17Å; F47-F99 HydrophobicContact CB-CD1 4.02Å; F47-F99 HydrophobicContact CB-CE1 3.87Å; F47-F99 HydrophobicContact CD2-CB 3.78Å; F47-F99 AromaticContact CD2-CD1 3.59Å; F47-F99 HydrophobicContact CD2-CD1 3.59Å; F47-F99 HydrophobicContact CD2-CD2 4.06Å; F47-F99 HydrophobicContact CD2-CE1 4.06Å; F47-F99 HydrophobicContact CD2-CE2 4.48Å; F47-F99 AromaticContact CD2-CG 3.57Å; F47-F99 HydrophobicContact CD2-CG 3.57Å; F47-F99 HydrophobicContact CD2-CZ 4.48Å; F47-F99 HydrophobicContact CE2-CB 3.94Å; F47-F99 HydrophobicContact CE2-CG 4.16Å; F47-F99 HydrophobicContact CG-CD1 4.29Å; F47-F99 HydrophobicContact CG-CE1 4.5Å
48R92.3Very high88.2Confident166 Ų16657.6 Ų57.663%0.62630%0.3SS*.Hα-helixtrans-64.7-19.8177.5-72.6-170.2-58.2-85.90.4115.3G44 R45 Q46G44-R48 WeakPolarHBondContact O-CG 3.37Å; G44-R48 VanDerWaalsContact O-CZ 3.3Å; G44-R48 PolarHBondContact O-N 3.46Å; G44-R48 PolarHBondContact O-NH1 2.65Å; G44-R48 VanDerWaalsContact O-NH1 3.16Å; R45-R48 PolarHBondContact O-N 2.68Å; Q46-R48 VanDerWaalsContact C-N 3.34Å; Q46-R48 PolarHBondContact O-N 3.38Å
49I91Very high89.4Confident99 Ų9958.5 Ų58.551%0.50830%0.302SS..Hα-helixtrans-81.1-31.2176-72.3164.7000110.4R45 Q46 F47R45-I49 HydrophobicContact CG-CD1 4.04Å; R45-I49 WeakPolarHBondContact O-CD1 3.12Å; R45-I49 VanDerWaalsContact O-CG1 3.28Å; R45-I49 WeakPolarHBondContact O-CG1 3.31Å; R45-I49 PolarHBondContact O-N 3.33Å; Q46-I49 WeakPolarHBondContact O-CB 3.4Å; Q46-I49 PolarHBondContact O-N 2.88Å; F47-I49 PolarHBondContact O-N 3.43Å
50I92.1Very high90.7Very high8 Ų860.9 Ų60.94%0.04131%0.31CS..Hα-helixtrans-85.3-35.7-178.1-55.4165.1000111.3Q46 F47 D52 L58 E62 F70 F99Q46-I50 VanDerWaalsContact O-CG1 3.31Å; Q46-I50 WeakPolarHBondContact O-CG1 3.46Å; Q46-I50 PolarHBondContact O-N 3.43Å; F47-I50 PolarHBondContact O-N 2.97Å; F47-I50 VanDerWaalsContact O-N 3.1Å; I50-D52 VanDerWaalsContact C-N 3.35Å; I50-D52 PolarHBondContact O-N 3.27Å; I50-L58 HydrophobicContact CB-CD1 4.31Å; I50-L58 HydrophobicContact CB-CD2 4.07Å; I50-L58 HydrophobicContact CD1-CD1 4.38Å; I50-L58 HydrophobicContact CG2-CD1 4.04Å; I50-L58 HydrophobicContact CG2-CD2 3.94Å; I50-E62 HydrophobicContact CG2-CB 4.33Å; I50-E62 WeakPolarHBondContact CG2-O 3.4Å; I50-F70 HydrophobicContact CD1-CD2 4.41Å; I50-F70 HydrophobicContact CD1-CE2 3.54Å; I50-F70 HydrophobicContact CD1-CZ 4.32Å; I50-F70 HydrophobicContact CG1-CE2 3.88Å; I50-F99 HydrophobicContact CD1-CE2 4.13Å; I50-F99 HydrophobicContact CD1-CZ 3.84Å
51D95Very high91.6Very high16 Ų1666.3 Ų66.39%0.08633%0.332CS..  trans-66.787175.6-178.38000109.7F47 G54 N55 K56 L58F47-D51 HydrophobicContact CE1-CB 4.47Å; F47-D51 WeakPolarHBondContact O-CB 3.32Å; F47-D51 PolarHBondContact O-N 3.43Å; D51-G54 WeakPolarHBondContact OD1-CA 3.1Å; D51-G54 PolarHBondContact OD1-N 3.38Å; D51-G54 WeakPolarHBondContact OD2-CA 3.19Å; D51-N55 PolarHBondContact OD1-N 3.04Å; D51-K56 VanDerWaalsContact OD2-CA 3.26Å; D51-K56 WeakPolarHBondContact OD2-CA 3.2Å; D51-K56 PolarHBondContact OD2-N 3.32Å; D51-L58 HydrophobicContact CB-CD2 3.71Å
52D93.2Very high92.4Very high96 Ų9663.5 Ų63.551%0.51331%0.306SS..SBendtrans-73.6-33.9-171.9-85.2-20.1000110.7I50 E62 K65I50-D52 VanDerWaalsContact C-N 3.35Å; I50-D52 PolarHBondContact O-N 3.27Å; D52-E62 PolarHBondContact N-OE1 2.87Å; D52-K65 IonicContact OD1-NZ 3.44Å; D52-K65 PolarHBondContact OD1-NZ 3Å; D52-K65 IonicContact OD2-NZ 2.64Å; D52-K65 PolarHBondContact OD2-NZ 3.18Å
53D94.9Very high92.9Very high102 Ų10262.9 Ų62.955%0.54530%0.3SS..SBendtrans-91.8-13.2-178.979.33.7000113.8N55 E62D53-N55 VanDerWaalsContact C-N 3.31Å; D53-N55 WeakPolarHBondContact OD1-CB 3.21Å; D53-N55 PolarHBondContact OD1-N 3.01Å; D53-N55 PolarHBondContact OD1-ND2 2.93Å; D53-N55 PolarHBondContact OD1-OD1 3.01Å; D53-N55 PolarHBondContact OD2-ND2 2.9Å; D53-E62 PolarHBondContact N-OE1 3.29Å
54G93Very high93.4Very high49 Ų4963.5 Ų63.551%0.50530%0.304SS..  trans74.718.2176.300000114D51 K56D51-G54 WeakPolarHBondContact OD1-CA 3.1Å; D51-G54 PolarHBondContact OD1-N 3.38Å; D51-G54 WeakPolarHBondContact OD2-CA 3.19Å; G54-K56 PolarHBondContact O-N 3Å
55N94.5Very high93.6Very high61 Ų6167.5 Ų67.533%0.32632%0.321SS..SBendtrans-76.6-2.5-179.372.220.4000112.9D51 D53 K57D51-N55 PolarHBondContact OD1-N 3.04Å; D53-N55 VanDerWaalsContact C-N 3.31Å; D53-N55 WeakPolarHBondContact OD1-CB 3.21Å; D53-N55 PolarHBondContact OD1-N 3.01Å; D53-N55 PolarHBondContact OD1-ND2 2.93Å; D53-N55 PolarHBondContact OD1-OD1 3.01Å; D53-N55 PolarHBondContact OD2-ND2 2.9Å; N55-K57 WeakPolarHBondContact OD1-CG 3.46Å; N55-K57 PolarHBondContact OD1-N 2.77Å; N55-K57 PolarHBondContact OD1-O 3Å
56K93.2Very high93.8Very high164 Ų16459.9 Ų59.971%0.71329%0.292SS*.SBendtrans69.523.3-179.7-51.4179.3-177.7174.90115.4F47 D51 G54F47-K56 WeakPolarHBondContact CZ-O 3.46Å; D51-K56 VanDerWaalsContact OD2-CA 3.26Å; D51-K56 WeakPolarHBondContact OD2-CA 3.2Å; D51-K56 PolarHBondContact OD2-N 3.32Å; G54-K56 PolarHBondContact O-N 3Å
57K95.8Very high94Very high72 Ų7259.1 Ų59.131%0.31329%0.289SS..EExtended strand (participates in β ladder)trans-146.3148.3173.756.4175.9-172.3163.60108.8N55 F93 I94N55-K57 WeakPolarHBondContact OD1-CG 3.46Å; N55-K57 PolarHBondContact OD1-N 2.77Å; N55-K57 PolarHBondContact OD1-O 3Å; K57-F93 HydrophobicContact CB-CB 4.12Å; K57-F93 HydrophobicContact CD-CB 3.9Å; K57-F93 HydrophobicContact CD-CD1 3.67Å; K57-F93 HydrophobicContact CD-CD2 4.25Å; K57-F93 HydrophobicContact CD-CE1 4.25Å; K57-F93 HydrophobicContact CD-CG 3.67Å; K57-F93 HydrophobicContact CG-CB 4.34Å; K57-F93 HydrophobicContact CG-CD1 4.09Å; K57-F93 HydrophobicContact CG-CG 4.37Å; K57-F93 VanDerWaalsContact NZ-CZ 3.33Å; K57-I94 CarbonylContact C-O 3.53Å; K57-I94 WeakPolarHBondContact CA-O 2.95Å
58L96Very high93.9Very high0 Ų066.1 Ų66.10%032%0.319CS..EExtended strand (participates in β ladder)trans-101.9121.9-178.2-55.7179.1000109.7F47 I50 D51 E62 F63 F93 I94 F99F47-L58 HydrophobicContact CD2-CD1 3.86Å; F47-L58 HydrophobicContact CD2-CG 4.1Å; F47-L58 HydrophobicContact CE2-CD1 3.84Å; F47-L58 HydrophobicContact CE2-CD2 4.3Å; F47-L58 HydrophobicContact CE2-CG 3.64Å; F47-L58 HydrophobicContact CZ-CD2 4.37Å; F47-L58 HydrophobicContact CZ-CG 4.03Å; I50-L58 HydrophobicContact CB-CD1 4.31Å; I50-L58 HydrophobicContact CB-CD2 4.07Å; I50-L58 HydrophobicContact CD1-CD1 4.38Å; I50-L58 HydrophobicContact CG2-CD1 4.04Å; I50-L58 HydrophobicContact CG2-CD2 3.94Å; D51-L58 HydrophobicContact CB-CD2 3.71Å; L58-E62 HydrophobicContact CD2-CB 4.44Å; L58-F63 HydrophobicContact CB-CB 4.49Å; L58-F63 HydrophobicContact CD1-CD2 4.44Å; L58-F93 WeakPolarHBondContact O-CA 3.39Å; L58-I94 HydrophobicContact CB-CB 4.33Å; L58-I94 PolarHBondContact N-O 3.27Å; L58-I94 PolarHBondContact O-N 2.85Å; L58-F99 HydrophobicContact CD1-CD2 3.91Å; L58-F99 HydrophobicContact CD1-CE2 3.82Å
59D96.3Very high93.7Very high52 Ų5262.4 Ų62.428%0.27831%0.312SS..  trans-75169.1165.280.524.7000111.2K61 E62 F63 F93D59-K61 PolarHBondContact O-N 3.22Å; D59-K61 VanDerWaalsContact OD1-CA 3.29Å; D59-K61 WeakPolarHBondContact OD1-CA 3.14Å; D59-K61 VanDerWaalsContact OD1-CB 3.23Å; D59-K61 WeakPolarHBondContact OD1-CB 3.25Å; D59-K61 PolarHBondContact OD1-N 3.19Å; D59-E62 PolarHBondContact N-OE2 3.49Å; D59-E62 PolarHBondContact O-N 2.87Å; D59-E62 PolarHBondContact OD1-N 3.17Å; D59-F63 WeakPolarHBondContact O-CB 3.36Å; D59-F63 PolarHBondContact O-N 2.79Å; D59-F93 HydrophobicContact CB-CD1 4.1Å; D59-F93 HydrophobicContact CB-CE1 4.07Å
60F96.1Very high93.3Very high59 Ų5958.1 Ų58.126%0.25929%0.29SS..Hα-helixtrans-59.5-32.1-179.7178.6-104.8000113.4S64 V79 K80 F83F60-S64 WeakPolarHBondContact O-CB 3.34Å; F60-S64 PolarHBondContact O-N 3.26Å; F60-V79 HydrophobicContact CE2-CG1 3.98Å; F60-V79 HydrophobicContact CZ-CG1 4.34Å; F60-K80 HydrophobicContact CD2-CD 3.97Å; F60-K80 HydrophobicContact CE2-CB 3.89Å; F60-K80 HydrophobicContact CE2-CD 3.69Å; F60-K80 HydrophobicContact CE2-CG 4.38Å; F60-K80 HydrophobicContact CZ-CB 4.09Å; F60-K80 HydrophobicContact CZ-CD 4.23Å; F60-F83 HydrophobicContact CB-CD2 4.33Å; F60-F83 HydrophobicContact CB-CE2 4.15Å; F60-F83 HydrophobicContact CB-CZ 4.36Å; F60-F83 HydrophobicContact CD2-CB 4Å; F60-F83 HydrophobicContact CD2-CD1 4.43Å; F60-F83 AromaticContact CD2-CD2 3.94Å; F60-F83 HydrophobicContact CD2-CD2 3.94Å; F60-F83 AromaticContact CD2-CG 3.85Å; F60-F83 HydrophobicContact CD2-CG 3.85Å; F60-F83 HydrophobicContact CE2-CB 4.32Å
61K95.5Very high92.8Very high167 Ų16760 Ų6073%0.72631%0.311SS*.Hα-helixtrans-73.3-44.6-178.8-178.5-171.9173.2-166.80110.4D59 S64 K65D59-K61 PolarHBondContact O-N 3.22Å; D59-K61 VanDerWaalsContact OD1-CA 3.29Å; D59-K61 WeakPolarHBondContact OD1-CA 3.14Å; D59-K61 VanDerWaalsContact OD1-CB 3.23Å; D59-K61 WeakPolarHBondContact OD1-CB 3.25Å; D59-K61 PolarHBondContact OD1-N 3.19Å; K61-S64 PolarHBondContact O-N 2.88Å; K61-K65 WeakPolarHBondContact O-CB 3.27Å; K61-K65 PolarHBondContact O-N 2.87Å
62E96.1Very high92.2Very high12 Ų1259.8 Ų59.86%0.05631%0.31CS..Hα-helixtrans-61.1-50.8173.6-69.4176.9133.400110.3I50 D52 D53 L58 D59 S64 K65 G66I50-E62 HydrophobicContact CG2-CB 4.33Å; I50-E62 WeakPolarHBondContact CG2-O 3.4Å; D52-E62 PolarHBondContact N-OE1 2.87Å; D53-E62 PolarHBondContact N-OE1 3.29Å; L58-E62 HydrophobicContact CD2-CB 4.44Å; D59-E62 PolarHBondContact N-OE2 3.49Å; D59-E62 PolarHBondContact O-N 2.87Å; D59-E62 PolarHBondContact OD1-N 3.17Å; E62-S64 VanDerWaalsContact C-N 3.35Å; E62-S64 PolarHBondContact O-N 3.35Å; E62-K65 WeakPolarHBondContact O-CB 3.49Å; E62-K65 PolarHBondContact O-N 3.16Å; E62-G66 PolarHBondContact O-N 2.88Å
63F94.6Very high91.8Very high3 Ų362.5 Ų62.51%0.01333%0.325CS..Hα-helixtrans-58.2-45.1176.7-176.7-104.1000112.4L28 L58 D59 K65 G66 C67 V79 I82 F83 I86 I94 F99L28-F63 HydrophobicContact CD2-CE2 4.1Å; L28-F63 HydrophobicContact CD2-CZ 3.66Å; L58-F63 HydrophobicContact CB-CB 4.49Å; L58-F63 HydrophobicContact CD1-CD2 4.44Å; D59-F63 WeakPolarHBondContact O-CB 3.36Å; D59-F63 PolarHBondContact O-N 2.79Å; F63-K65 PolarHBondContact O-N 2.89Å; F63-G66 PolarHBondContact O-N 2.82Å; F63-C67 PolarHBondContact O-N 3.2Å; F63-C67 PolarHBondContact O-SG 2.73Å; F63-V79 HydrophobicContact CD1-CG1 3.91Å; F63-V79 HydrophobicContact CE1-CG1 4.03Å; F63-I82 HydrophobicContact CE1-CB 4.33Å; F63-I82 HydrophobicContact CE1-CG2 4.12Å; F63-I82 HydrophobicContact CZ-CB 4.4Å; F63-I82 HydrophobicContact CZ-CG2 3.7Å; F63-F83 HydrophobicContact CB-CD2 3.88Å; F63-F83 HydrophobicContact CB-CE2 4.14Å; F63-F83 HydrophobicContact CD1-CB 4.1Å; F63-F83 AromaticContact CD1-CD2 3.74Å; F63-F83 HydrophobicContact CD1-CD2 3.74Å; F63-F83 HydrophobicContact CD1-CG 4.44Å; F63-F83 HydrophobicContact CE1-CB 4.18Å; F63-F83 HydrophobicContact CE1-CD2 4.49Å; F63-F83 AromaticContact CG-CD2 3.88Å; F63-F83 HydrophobicContact CG-CD2 3.88Å; F63-I86 HydrophobicContact CE2-CD1 4.16Å; F63-I86 HydrophobicContact CZ-CD1 4.03Å; F63-I94 HydrophobicContact CD2-CD1 3.78Å; F63-I94 HydrophobicContact CE2-CD1 3.99Å; F63-I94 HydrophobicContact CG-CD1 4.08Å; F63-I94 HydrophobicContact CZ-CD1 4.45Å; F63-F99 HydrophobicContact CE2-CE2 4.49Å
64S94.4Very high91.5Very high16 Ų1658.8 Ų58.811%0.11231%0.305CS..Hα-helixtrans-64.1-40.8178.2-175.90000112.7F60 K61 E62 K68F60-S64 WeakPolarHBondContact O-CB 3.34Å; F60-S64 PolarHBondContact O-N 3.26Å; K61-S64 PolarHBondContact O-N 2.88Å; E62-S64 VanDerWaalsContact C-N 3.35Å; E62-S64 PolarHBondContact O-N 3.35Å; S64-K68 WeakPolarHBondContact O-CG 3.13Å; S64-K68 PolarHBondContact O-N 3.43Å
65K93.3Very high91.5Very high86 Ų8658.7 Ų58.737%0.37430%0.297SS..Hα-helixtrans-61.4-47.2172.2-179.4-167.4171.7-162.60110.2D52 K61 E62 F63 C67 K68 D69D52-K65 IonicContact OD1-NZ 3.44Å; D52-K65 PolarHBondContact OD1-NZ 3Å; D52-K65 IonicContact OD2-NZ 2.64Å; D52-K65 PolarHBondContact OD2-NZ 3.18Å; K61-K65 WeakPolarHBondContact O-CB 3.27Å; K61-K65 PolarHBondContact O-N 2.87Å; E62-K65 WeakPolarHBondContact O-CB 3.49Å; E62-K65 PolarHBondContact O-N 3.16Å; F63-K65 PolarHBondContact O-N 2.89Å; K65-C67 PolarHBondContact O-N 3.29Å; K65-K68 WeakPolarHBondContact O-CB 3.34Å; K65-K68 PolarHBondContact O-N 3.12Å; K65-K68 VanDerWaalsContact O-N 3.16Å; K65-D69 PolarHBondContact O-N 3.44Å
66G92.4Very high91.4Very high1 Ų162.6 Ų62.61%0.0131%0.311CS..Hα-helixtrans-51.8-56.417500000111.8E62 F63 K68 D69 F70E62-G66 PolarHBondContact O-N 2.88Å; F63-G66 PolarHBondContact O-N 2.82Å; G66-K68 PolarHBondContact O-N 3.15Å; G66-D69 CarbonylContact O-C 3.45Å; G66-D69 WeakPolarHBondContact O-CA 3.49Å; G66-D69 WeakPolarHBondContact O-CB 3.47Å; G66-D69 PolarHBondContact O-N 3.34Å; G66-F70 WeakPolarHBondContact O-CD2 3.21Å; G66-F70 PolarHBondContact O-N 2.95Å
67C91.9Very high91.4Very high4 Ų461.2 Ų61.23%0.02731%0.307CS..Hα-helixtrans-52.6-40.8178.9-73.60000113.1F63 K65 F70 G71 V72 V79F63-C67 PolarHBondContact O-N 3.2Å; F63-C67 PolarHBondContact O-SG 2.73Å; K65-C67 PolarHBondContact O-N 3.29Å; C67-F70 PolarHBondContact O-N 3.35Å; C67-G71 PolarHBondContact O-N 3.5Å; C67-V72 PolarHBondContact O-N 3.44Å; C67-V79 HydrophobicContact CB-CG2 4.24Å
68K90.2Very high91.3Very high155 Ų15560 Ų6067%0.67430%0.303SS*.Hα-helixtrans-66.5-45.7174.6-69.7176.8-179.8179.60112S64 K65 G66 F70 G71S64-K68 WeakPolarHBondContact O-CG 3.13Å; S64-K68 PolarHBondContact O-N 3.43Å; K65-K68 WeakPolarHBondContact O-CB 3.34Å; K65-K68 PolarHBondContact O-N 3.12Å; K65-K68 VanDerWaalsContact O-N 3.16Å; G66-K68 PolarHBondContact O-N 3.15Å; K68-F70 PolarHBondContact O-N 3.26Å; K68-G71 PolarHBondContact O-N 2.95Å
69D87.5Confident91.3Very high89 Ų8960.4 Ų60.448%0.47631%0.305SS..Hα-helixtrans-61.9-33.1177.5-70.6-15.5000111.1R35 K65 G66 G71R35-D69 PolarHBondContact NH1-O 2.63Å; R35-D69 PolarHBondContact NH2-O 3.05Å; K65-D69 PolarHBondContact O-N 3.44Å; G66-D69 CarbonylContact O-C 3.45Å; G66-D69 WeakPolarHBondContact O-CA 3.49Å; G66-D69 WeakPolarHBondContact O-CB 3.47Å; G66-D69 PolarHBondContact O-N 3.34Å; D69-G71 PolarHBondContact O-N 3.22Å
70F83.7Confident91.2Very high8 Ų861.9 Ų61.94%0.03531%0.309CS..THydrogen-bonded Turntrans-65.7-12.6171.8-78.9-75.5000114.5R35 Q46 I50 G66 C67 K68 V72R35-F70 HydrophobicContact CB-CD1 4.42Å; R35-F70 HydrophobicContact CB-CE1 4.22Å; R35-F70 HydrophobicContact CG-CD1 3.93Å; R35-F70 HydrophobicContact CG-CE1 4.19Å; R35-F70 VanDerWaalsContact CZ-C 3.49Å; R35-F70 VanDerWaalsContact CZ-O 3.32Å; R35-F70 VanDerWaalsContact NH1-CA 3.31Å; R35-F70 PolarHBondContact NH2-O 3Å; Q46-F70 HydrophobicContact CB-CE1 4.32Å; Q46-F70 HydrophobicContact CB-CZ 3.68Å; Q46-F70 VanDerWaalsContact CD-CE1 3.48Å; Q46-F70 VanDerWaalsContact CD-CZ 3.49Å; Q46-F70 HydrophobicContact CG-CE1 3.84Å; Q46-F70 HydrophobicContact CG-CZ 3.71Å; I50-F70 HydrophobicContact CD1-CD2 4.41Å; I50-F70 HydrophobicContact CD1-CE2 3.54Å; I50-F70 HydrophobicContact CD1-CZ 4.32Å; I50-F70 HydrophobicContact CG1-CE2 3.88Å; G66-F70 WeakPolarHBondContact O-CD2 3.21Å; G66-F70 PolarHBondContact O-N 2.95Å; C67-F70 PolarHBondContact O-N 3.35Å; K68-F70 PolarHBondContact O-N 3.26Å; F70-V72 HydrophobicContact CB-CG2 3.64Å
71G82Confident91.1Very high48 Ų4864.3 Ų64.350%0.49532%0.321SS..THydrogen-bonded Turntrans68.127.3-175.500000111.8C67 K68 D69C67-G71 PolarHBondContact O-N 3.5Å; K68-G71 PolarHBondContact O-N 2.95Å; D69-G71 PolarHBondContact O-N 3.22Å
72V81.4Confident90.9Very high11 Ų1156.4 Ų56.47%0.06729%0.287CS..  trans-83116.4172.7-155.70000107.4K27 L28 Q31 C67 F70 L74K27-V72 HydrophobicContact CB-CG1 4.08Å; L28-V72 HydrophobicContact CD1-CG2 3.83Å; Q31-V72 HydrophobicContact CB-CG2 3.76Å; Q31-V72 HydrophobicContact CG-CB 4.44Å; Q31-V72 HydrophobicContact CG-CG1 4.17Å; Q31-V72 HydrophobicContact CG-CG2 3.89Å; C67-V72 PolarHBondContact O-N 3.44Å; F70-V72 HydrophobicContact CB-CG2 3.64Å; V72-L74 VanDerWaalsContact C-N 3.35Å; V72-L74 HydrophobicContact CB-CD1 4.14Å; V72-L74 HydrophobicContact CB-CG 4.18Å; V72-L74 HydrophobicContact CG1-CD1 3.64Å; V72-L74 HydrophobicContact CG1-CD2 4.24Å; V72-L74 HydrophobicContact CG1-CG 3.59Å; V72-L74 PolarHBondContact O-N 3.49Å
73D84.3Confident90.9Very high154 Ų15456 Ų5682%0.82429%0.285SS*.  trans-77.789.3175.4-165.919.2000108.9
74L88.7Confident90.8Very high23 Ų2359.9 Ų59.912%0.1231%0.305CS..  trans-127.9136.8178.4-64.1173.3000109.1P24 K27 V72 E78 V79 I82P24-L74 HydrophobicContact CB-CD2 4.07Å; K27-L74 HydrophobicContact CD-CD2 3.95Å; V72-L74 VanDerWaalsContact C-N 3.35Å; V72-L74 HydrophobicContact CB-CD1 4.14Å; V72-L74 HydrophobicContact CB-CG 4.18Å; V72-L74 HydrophobicContact CG1-CD1 3.64Å; V72-L74 HydrophobicContact CG1-CD2 4.24Å; V72-L74 HydrophobicContact CG1-CG 3.59Å; V72-L74 PolarHBondContact O-N 3.49Å; L74-E78 HydrophobicContact CB-CB 4.13Å; L74-E78 HydrophobicContact CD2-CB 4.14Å; L74-V79 HydrophobicContact CB-CG2 3.8Å; L74-V79 HydrophobicContact CD1-CG2 4.27Å; L74-I82 HydrophobicContact CD1-CD1 3.42Å; L74-I82 VanDerWaalsContact CD1-CD1 3.42Å
75S92.6Very high90.6Very high48 Ų4863 Ų6334%0.33632%0.318SS..  trans-63.1162.4167.7630000111.3E77 E78 V79S75-E77 PolarHBondContact O-N 2.85Å; S75-E78 WeakPolarHBondContact CB-OE2 3.26Å; S75-E78 PolarHBondContact N-OE2 2.7Å; S75-E78 PolarHBondContact O-N 3.29Å; S75-E78 WeakPolarHBondContact OG-CB 3.49Å; S75-E78 WeakPolarHBondContact OG-CG 3.45Å; S75-E78 PolarHBondContact OG-N 3.18Å; S75-E78 VanDerWaalsContact OG-N 3.15Å; S75-E78 PolarHBondContact OG-OE2 2.99Å; S75-V79 WeakPolarHBondContact O-CG2 3.41Å; S75-V79 PolarHBondContact O-N 2.91Å
76K92.6Very high90.4Very high142 Ų14258.9 Ų58.962%0.61730%0.3SS*.Hα-helixtrans-63.1-33.9178.6-173.2-179.4176.8-173.20111V79 K80K76-V79 PolarHBondContact O-N 2.91Å; K76-K80 PolarHBondContact O-N 2.89Å
77E94.2Very high90.4Very high136 Ų13659.3 Ų59.364%0.63630%0.302SS*.Hα-helixtrans-66.7-46.7177.2-6367.8-148.100110.7S75 V79 K80 E81S75-E77 PolarHBondContact O-N 2.85Å; E77-V79 VanDerWaalsContact C-N 3.35Å; E77-V79 PolarHBondContact O-N 3.35Å; E77-K80 PolarHBondContact O-N 3.3Å; E77-K80 VanDerWaalsContact O-N 3.17Å; E77-E81 PolarHBondContact O-N 2.84Å
78E94.2Very high90.2Very high47 Ų4764.2 Ų64.222%0.2233%0.332CS..Hα-helixtrans-62.9-39.6174.7-76.1169.7118.200111.9P24 K27 L74 S75 K80 E81 I82P24-E78 HydrophobicContact CB-CB 4.08Å; P24-E78 HydrophobicContact CB-CG 4.27Å; P24-E78 HydrophobicContact CG-CB 4.08Å; P24-E78 HydrophobicContact CG-CG 3.74Å; K27-E78 IonicContact NZ-OE1 3.69Å; L74-E78 HydrophobicContact CB-CB 4.13Å; L74-E78 HydrophobicContact CD2-CB 4.14Å; S75-E78 WeakPolarHBondContact CB-OE2 3.26Å; S75-E78 PolarHBondContact N-OE2 2.7Å; S75-E78 PolarHBondContact O-N 3.29Å; S75-E78 WeakPolarHBondContact OG-CB 3.49Å; S75-E78 WeakPolarHBondContact OG-CG 3.45Å; S75-E78 PolarHBondContact OG-N 3.18Å; S75-E78 VanDerWaalsContact OG-N 3.15Å; S75-E78 PolarHBondContact OG-OE2 2.99Å; E78-K80 VanDerWaalsContact C-N 3.28Å; E78-K80 PolarHBondContact O-N 2.94Å; E78-E81 PolarHBondContact O-N 3.12Å; E78-I82 VanDerWaalsContact O-CG1 3.27Å; E78-I82 WeakPolarHBondContact O-CG1 3.42Å; E78-I82 PolarHBondContact O-N 2.89Å
79V94.7Very high90.2Very high7 Ų761.5 Ų61.54%0.04233%0.325CS..Hα-helixtrans-63.2-38.4175.3173.30000110.9F60 F63 C67 L74 S75 K76 E77 I82 F83F60-V79 HydrophobicContact CE2-CG1 3.98Å; F60-V79 HydrophobicContact CZ-CG1 4.34Å; F63-V79 HydrophobicContact CD1-CG1 3.91Å; F63-V79 HydrophobicContact CE1-CG1 4.03Å; C67-V79 HydrophobicContact CB-CG2 4.24Å; L74-V79 HydrophobicContact CB-CG2 3.8Å; L74-V79 HydrophobicContact CD1-CG2 4.27Å; S75-V79 WeakPolarHBondContact O-CG2 3.41Å; S75-V79 PolarHBondContact O-N 2.91Å; K76-V79 PolarHBondContact O-N 2.91Å; E77-V79 VanDerWaalsContact C-N 3.35Å; E77-V79 PolarHBondContact O-N 3.35Å; V79-I82 PolarHBondContact O-N 2.8Å; V79-F83 WeakPolarHBondContact O-CB 3.47Å; V79-F83 PolarHBondContact O-N 3.39Å
80K94.7Very high90.4Very high84 Ų8465.3 Ų65.337%0.36534%0.34SS..Hα-helixtrans-68.5-42.4176.4-175.655.1177.5157.50111.9F60 K76 E77 E78 I82 F83 D84F60-K80 HydrophobicContact CD2-CD 3.97Å; F60-K80 HydrophobicContact CE2-CB 3.89Å; F60-K80 HydrophobicContact CE2-CD 3.69Å; F60-K80 HydrophobicContact CE2-CG 4.38Å; F60-K80 HydrophobicContact CZ-CB 4.09Å; F60-K80 HydrophobicContact CZ-CD 4.23Å; K76-K80 PolarHBondContact O-N 2.89Å; E77-K80 PolarHBondContact O-N 3.3Å; E77-K80 VanDerWaalsContact O-N 3.17Å; E78-K80 VanDerWaalsContact C-N 3.28Å; E78-K80 PolarHBondContact O-N 2.94Å; K80-I82 VanDerWaalsContact C-N 3.33Å; K80-I82 PolarHBondContact O-N 3Å; K80-F83 PolarHBondContact O-N 2.87Å; K80-D84 VanDerWaalsContact CE-OD1 3.24Å; K80-D84 WeakPolarHBondContact CE-OD1 3.02Å; K80-D84 VanDerWaalsContact CE-OD2 3.28Å; K80-D84 WeakPolarHBondContact CE-OD2 3.42Å; K80-D84 IonicContact NZ-OD1 3.69Å; K80-D84 PolarHBondContact NZ-OD1 2.72Å; K80-D84 IonicContact NZ-OD2 2.67Å; K80-D84 VanDerWaalsContact O-CG 3.26Å; K80-D84 PolarHBondContact O-N 3.35Å
81E93.9Very high90.8Very high110 Ų11067.6 Ų67.651%0.51436%0.357SS..Hα-helixtrans-56.5-46.4173.2-176.3-174.2175.400111.5E77 E78 D84 E85E77-E81 PolarHBondContact O-N 2.84Å; E78-E81 PolarHBondContact O-N 3.12Å; E81-D84 PolarHBondContact O-N 3.02Å; E81-E85 PolarHBondContact O-N 2.81Å
82I92.4Very high91.4Very high1 Ų167.1 Ų67.11%0.00535%0.352CS..Hα-helixtrans-64.5-44.5177.2-62.7167.7000110.7P24 I25 L28 F63 L74 E78 V79 K80 D84 E85 I86P24-I82 VanDerWaalsContact C-CD1 3.44Å; P24-I82 HydrophobicContact CB-CD1 3.63Å; P24-I82 HydrophobicContact CB-CG1 3.66Å; P24-I82 WeakPolarHBondContact O-CD1 3.35Å; I25-I82 HydrophobicContact CB-CG1 4.3Å; I25-I82 HydrophobicContact CG1-CG2 4.35Å; L28-I82 HydrophobicContact CB-CD1 4.34Å; L28-I82 HydrophobicContact CD2-CD1 4.38Å; L28-I82 HydrophobicContact CD2-CG2 3.85Å; F63-I82 HydrophobicContact CE1-CB 4.33Å; F63-I82 HydrophobicContact CE1-CG2 4.12Å; F63-I82 HydrophobicContact CZ-CB 4.4Å; F63-I82 HydrophobicContact CZ-CG2 3.7Å; L74-I82 HydrophobicContact CD1-CD1 3.42Å; L74-I82 VanDerWaalsContact CD1-CD1 3.42Å; E78-I82 VanDerWaalsContact O-CG1 3.27Å; E78-I82 WeakPolarHBondContact O-CG1 3.42Å; E78-I82 PolarHBondContact O-N 2.89Å; V79-I82 PolarHBondContact O-N 2.8Å; K80-I82 VanDerWaalsContact C-N 3.33Å; K80-I82 PolarHBondContact O-N 3Å; I82-D84 VanDerWaalsContact C-N 3.29Å; I82-D84 PolarHBondContact O-N 2.95Å; I82-E85 PolarHBondContact O-N 2.83Å; I82-E85 VanDerWaalsContact O-N 3.17Å; I82-I86 HydrophobicContact CG2-CD1 3.56Å; I82-I86 HydrophobicContact CG2-CG1 4.11Å; I82-I86 VanDerWaalsContact O-CG1 3.25Å; I82-I86 WeakPolarHBondContact O-CG1 3.47Å; I82-I86 PolarHBondContact O-N 3.22Å
83F94.6Very high92.1Very high3 Ų369.8 Ų69.81%0.01336%0.363CS..Hα-helixtrans-56.6-47.9179.7-173.9-81.8000110.7F60 F63 V79 K80 E85 I86 D87 G92 I94F60-F83 HydrophobicContact CB-CD2 4.33Å; F60-F83 HydrophobicContact CB-CE2 4.15Å; F60-F83 HydrophobicContact CB-CZ 4.36Å; F60-F83 HydrophobicContact CD2-CB 4Å; F60-F83 HydrophobicContact CD2-CD1 4.43Å; F60-F83 AromaticContact CD2-CD2 3.94Å; F60-F83 HydrophobicContact CD2-CD2 3.94Å; F60-F83 AromaticContact CD2-CG 3.85Å; F60-F83 HydrophobicContact CD2-CG 3.85Å; F60-F83 HydrophobicContact CE2-CB 4.32Å; F63-F83 HydrophobicContact CB-CD2 3.88Å; F63-F83 HydrophobicContact CB-CE2 4.14Å; F63-F83 HydrophobicContact CD1-CB 4.1Å; F63-F83 AromaticContact CD1-CD2 3.74Å; F63-F83 HydrophobicContact CD1-CD2 3.74Å; F63-F83 HydrophobicContact CD1-CG 4.44Å; F63-F83 HydrophobicContact CE1-CB 4.18Å; F63-F83 HydrophobicContact CE1-CD2 4.49Å; F63-F83 AromaticContact CG-CD2 3.88Å; F63-F83 HydrophobicContact CG-CD2 3.88Å; V79-F83 WeakPolarHBondContact O-CB 3.47Å; V79-F83 PolarHBondContact O-N 3.39Å; K80-F83 PolarHBondContact O-N 2.87Å; F83-E85 VanDerWaalsContact C-N 3.31Å; F83-E85 PolarHBondContact O-N 2.85Å; F83-I86 PolarHBondContact O-N 2.85Å; F83-I86 VanDerWaalsContact O-N 3.14Å; F83-D87 HydrophobicContact CD1-CB 4.35Å; F83-D87 HydrophobicContact CE1-CB 4.11Å; F83-D87 WeakPolarHBondContact O-CB 3.41Å; F83-D87 PolarHBondContact O-N 2.79Å; F83-G92 WeakPolarHBondContact CZ-O 3.24Å; F83-I94 HydrophobicContact CD2-CD1 3.42Å; F83-I94 VanDerWaalsContact CD2-CD1 3.42Å; F83-I94 HydrophobicContact CD2-CG1 4.03Å; F83-I94 HydrophobicContact CE2-CD1 3.62Å; F83-I94 HydrophobicContact CE2-CG1 3.75Å; F83-I94 HydrophobicContact CG-CD1 4.07Å; F83-I94 HydrophobicContact CZ-CD1 4.39Å; F83-I94 HydrophobicContact CZ-CG1 4.09Å
84D93.2Very high92.6Very high84 Ų8462.5 Ų62.545%0.44932%0.324SS..Hα-helixtrans-69.7-26.2-179.6-62-16.9000112.4K80 E81 I82K80-D84 VanDerWaalsContact CE-OD1 3.24Å; K80-D84 WeakPolarHBondContact CE-OD1 3.02Å; K80-D84 VanDerWaalsContact CE-OD2 3.28Å; K80-D84 WeakPolarHBondContact CE-OD2 3.42Å; K80-D84 IonicContact NZ-OD1 3.69Å; K80-D84 PolarHBondContact NZ-OD1 2.72Å; K80-D84 IonicContact NZ-OD2 2.67Å; K80-D84 VanDerWaalsContact O-CG 3.26Å; K80-D84 PolarHBondContact O-N 3.35Å; E81-D84 PolarHBondContact O-N 3.02Å; I82-D84 VanDerWaalsContact C-N 3.29Å; I82-D84 PolarHBondContact O-N 2.95Å
85E89.4Confident92.8Very high82 Ų8264.3 Ų64.338%0.38333%0.333SS..Hα-helixtrans-72.8-31171.3-172.3-179.6168.100112.2I25 E81 I82 F83 K114I25-E85 HydrophobicContact CD1-CG 4.17Å; E81-E85 PolarHBondContact O-N 2.81Å; I82-E85 PolarHBondContact O-N 2.83Å; I82-E85 VanDerWaalsContact O-N 3.17Å; F83-E85 VanDerWaalsContact C-N 3.31Å; F83-E85 PolarHBondContact O-N 2.85Å; E85-K114 IonicContact OE1-NZ 3.29Å
86I90.4Very high92.7Very high0 Ų064.9 Ų64.90%033%0.33CS..Hα-helixtrans-85.8-38.9-177.4-63.1178.2000112.1I25 F63 I82 F83 T88 I94 E98I25-I86 HydrophobicContact CD1-CG1 4.38Å; F63-I86 HydrophobicContact CE2-CD1 4.16Å; F63-I86 HydrophobicContact CZ-CD1 4.03Å; I82-I86 HydrophobicContact CG2-CD1 3.56Å; I82-I86 HydrophobicContact CG2-CG1 4.11Å; I82-I86 VanDerWaalsContact O-CG1 3.25Å; I82-I86 WeakPolarHBondContact O-CG1 3.47Å; I82-I86 PolarHBondContact O-N 3.22Å; F83-I86 PolarHBondContact O-N 2.85Å; F83-I86 VanDerWaalsContact O-N 3.14Å; I86-T88 PolarHBondContact O-N 3Å; I86-I94 HydrophobicContact CB-CD1 3.9Å; I86-I94 HydrophobicContact CB-CG1 4.23Å; I86-I94 HydrophobicContact CD1-CD1 4.41Å; I86-I94 HydrophobicContact CG2-CB 4.3Å; I86-I94 HydrophobicContact CG2-CD1 3.77Å; I86-I94 HydrophobicContact CG2-CG1 3.81Å; I86-I94 HydrophobicContact CG2-CG2 3.54Å; I86-E98 HydrophobicContact CG2-CB 4.07Å
87D92.8Very high92.4Very high10 Ų1063 Ų635%0.05333%0.326CS..  trans-72.574.5176.9-179.79.2000109.7F83 D89 Q90 S91 G92 I94F83-D87 HydrophobicContact CD1-CB 4.35Å; F83-D87 HydrophobicContact CE1-CB 4.11Å; F83-D87 WeakPolarHBondContact O-CB 3.41Å; F83-D87 PolarHBondContact O-N 2.79Å; D87-D89 VanDerWaalsContact C-N 3.3Å; D87-D89 PolarHBondContact O-N 3.45Å; D87-Q90 PolarHBondContact O-N 2.73Å; D87-Q90 WeakPolarHBondContact OD1-CA 3.48Å; D87-Q90 PolarHBondContact OD1-N 2.83Å; D87-S91 PolarHBondContact OD1-N 3.16Å; D87-G92 WeakPolarHBondContact OD2-CA 3.39Å; D87-G92 PolarHBondContact OD2-N 3.21Å; D87-I94 HydrophobicContact CB-CG1 4.49Å
88T87.1Confident92.2Very high106 Ų10657.1 Ų57.165%0.6530%0.299SS*.THydrogen-bonded Turntrans-72.2-27.3-172.2550000112.3I86 E98I86-T88 PolarHBondContact O-N 3Å; T88-E98 PolarHBondContact N-OE1 3.26Å; T88-E98 PolarHBondContact OG1-OE1 3.29Å
89D89.5Confident91.9Very high98 Ų9855 Ų5552%0.52429%0.289SS..THydrogen-bonded Turntrans-88.5-5.9176.280.5-7.4000113.6D87 S91 E98D87-D89 VanDerWaalsContact C-N 3.3Å; D87-D89 PolarHBondContact O-N 3.45Å; D89-S91 PolarHBondContact O-N 3.36Å; D89-S91 WeakPolarHBondContact OD1-CB 3.25Å; D89-S91 PolarHBondContact OD1-N 3.46Å; D89-S91 PolarHBondContact OD1-OG 3.19Å; D89-E98 PolarHBondContact N-OE1 3.45Å
90Q91.1Very high91.4Very high170 Ų17055.1 Ų55.179%0.79429%0.29SS*.  trans5831.4-178.6-60.8172.151.600112.8D87 G92D87-Q90 PolarHBondContact O-N 2.73Å; D87-Q90 WeakPolarHBondContact OD1-CA 3.48Å; D87-Q90 PolarHBondContact OD1-N 2.83Å; Q90-G92 PolarHBondContact O-N 2.88Å
91S93.4Very high90.7Very high56 Ų5654.6 Ų54.639%0.39229%0.29SS..SBendtrans-70.1-16177.266.20000112.7D87 D89 F93D87-S91 PolarHBondContact OD1-N 3.16Å; D89-S91 PolarHBondContact O-N 3.36Å; D89-S91 WeakPolarHBondContact OD1-CB 3.25Å; D89-S91 PolarHBondContact OD1-N 3.46Å; D89-S91 PolarHBondContact OD1-OG 3.19Å; S91-F93 VanDerWaalsContact C-N 3.27Å; S91-F93 WeakPolarHBondContact O-CD2 3.03Å; S91-F93 PolarHBondContact OG-N 2.96Å; S91-F93 PolarHBondContact OG-O 3.1Å
92G94.2Very high90.1Very high37 Ų3750 Ų5038%0.38127%0.27SS..SBendtrans80.99.3-170.900000113.1F83 D87 Q90F83-G92 WeakPolarHBondContact CZ-O 3.24Å; D87-G92 WeakPolarHBondContact OD2-CA 3.39Å; D87-G92 PolarHBondContact OD2-N 3.21Å; Q90-G92 PolarHBondContact O-N 2.88Å
93F96Very high89.7Confident68 Ų6850.1 Ų50.130%0.29827%0.271SS..SBendtrans-135.4149.5177-59.9-87.5000109.4K57 L58 D59 S91K57-F93 HydrophobicContact CB-CB 4.12Å; K57-F93 HydrophobicContact CD-CB 3.9Å; K57-F93 HydrophobicContact CD-CD1 3.67Å; K57-F93 HydrophobicContact CD-CD2 4.25Å; K57-F93 HydrophobicContact CD-CE1 4.25Å; K57-F93 HydrophobicContact CD-CG 3.67Å; K57-F93 HydrophobicContact CG-CB 4.34Å; K57-F93 HydrophobicContact CG-CD1 4.09Å; K57-F93 HydrophobicContact CG-CG 4.37Å; K57-F93 VanDerWaalsContact NZ-CZ 3.33Å; L58-F93 WeakPolarHBondContact O-CA 3.39Å; D59-F93 HydrophobicContact CB-CD1 4.1Å; D59-F93 HydrophobicContact CB-CE1 4.07Å; S91-F93 VanDerWaalsContact C-N 3.27Å; S91-F93 WeakPolarHBondContact O-CD2 3.03Å; S91-F93 PolarHBondContact OG-N 2.96Å; S91-F93 PolarHBondContact OG-O 3.1Å
94I94.7Very high88.6Confident0 Ų050.5 Ų50.50%027%0.272CS..EExtended strand (participates in β ladder)trans-101115.4171.4-65.5169.3000108.5K57 L58 F63 F83 I86 D87 E98 F99K57-I94 CarbonylContact C-O 3.53Å; K57-I94 WeakPolarHBondContact CA-O 2.95Å; L58-I94 HydrophobicContact CB-CB 4.33Å; L58-I94 PolarHBondContact N-O 3.27Å; L58-I94 PolarHBondContact O-N 2.85Å; F63-I94 HydrophobicContact CD2-CD1 3.78Å; F63-I94 HydrophobicContact CE2-CD1 3.99Å; F63-I94 HydrophobicContact CG-CD1 4.08Å; F63-I94 HydrophobicContact CZ-CD1 4.45Å; F83-I94 HydrophobicContact CD2-CD1 3.42Å; F83-I94 VanDerWaalsContact CD2-CD1 3.42Å; F83-I94 HydrophobicContact CD2-CG1 4.03Å; F83-I94 HydrophobicContact CE2-CD1 3.62Å; F83-I94 HydrophobicContact CE2-CG1 3.75Å; F83-I94 HydrophobicContact CG-CD1 4.07Å; F83-I94 HydrophobicContact CZ-CD1 4.39Å; F83-I94 HydrophobicContact CZ-CG1 4.09Å; I86-I94 HydrophobicContact CB-CD1 3.9Å; I86-I94 HydrophobicContact CB-CG1 4.23Å; I86-I94 HydrophobicContact CD1-CD1 4.41Å; I86-I94 HydrophobicContact CG2-CB 4.3Å; I86-I94 HydrophobicContact CG2-CD1 3.77Å; I86-I94 HydrophobicContact CG2-CG1 3.81Å; I86-I94 HydrophobicContact CG2-CG2 3.54Å; D87-I94 HydrophobicContact CB-CG1 4.49Å; I94-E98 WeakPolarHBondContact CA-OE2 3.27Å; I94-E98 HydrophobicContact CG2-CB 4.15Å; I94-F99 HydrophobicContact CG2-CB 3.83Å; I94-F99 HydrophobicContact CG2-CD2 4.22Å
95D93.7Very high87.2Confident61 Ų6147.6 Ų47.633%0.32626%0.257SS..EExtended strand (participates in β ladder)trans-79.2175.1173.57834.7000112.7D97 E98 F99D95-D97 VanDerWaalsContact C-N 3.33Å; D95-D97 PolarHBondContact O-N 2.89Å; D95-D97 WeakPolarHBondContact OD1-CA 3.37Å; D95-D97 WeakPolarHBondContact OD1-CB 3.36Å; D95-D97 PolarHBondContact OD1-N 3.43Å; D95-E98 PolarHBondContact N-OE2 3.05Å; D95-E98 VanDerWaalsContact N-OE2 3.12Å; D95-E98 PolarHBondContact OD1-N 3.22Å; D95-F99 VanDerWaalsContact O-CB 3.27Å; D95-F99 WeakPolarHBondContact O-CB 3.49Å; D95-F99 PolarHBondContact O-N 3.03Å
96F90Very high85.7Confident60 Ų6045.8 Ų45.826%0.26325%0.247SC..Hα-helixtrans-65.8-34.5-178.3-178.8-112.2000113.2I40 G44 F47 L100I40-F96 HydrophobicContact CG1-CE1 4.44Å; I40-F96 HydrophobicContact CG1-CZ 4.18Å; G44-F96 VanDerWaalsContact CA-CE2 3.47Å; F47-F96 HydrophobicContact CB-CD2 4.01Å; F47-F96 HydrophobicContact CB-CE2 4.21Å; F47-F96 HydrophobicContact CD1-CD2 4.05Å; F47-F96 HydrophobicContact CD2-CD2 4.03Å; F47-F96 HydrophobicContact CE1-CB 4.35Å; F47-F96 HydrophobicContact CE2-CB 4.37Å; F47-F96 HydrophobicContact CE2-CD2 4.49Å; F47-F96 AromaticContact CG-CD2 3.76Å; F47-F96 HydrophobicContact CG-CD2 3.76Å; F47-F96 HydrophobicContact CG-CE2 4.45Å; F47-F96 HydrophobicContact CZ-CB 4.17Å; F96-L100 HydrophobicContact CE1-CD2 4.34Å; F96-L100 WeakPolarHBondContact O-CB 3.35Å; F96-L100 PolarHBondContact O-N 3.16Å
97D86.5Confident84Confident102 Ų10248.1 Ų48.155%0.54526%0.257SS..Hα-helixtrans-73.2-43.8-178.1-72-23.1000110.1D95 F99 L100 I101D95-D97 VanDerWaalsContact C-N 3.33Å; D95-D97 PolarHBondContact O-N 2.89Å; D95-D97 WeakPolarHBondContact OD1-CA 3.37Å; D95-D97 WeakPolarHBondContact OD1-CB 3.36Å; D95-D97 PolarHBondContact OD1-N 3.43Å; D97-F99 PolarHBondContact O-N 3.23Å; D97-L100 PolarHBondContact O-N 3.21Å; D97-I101 WeakPolarHBondContact O-CB 3.46Å; D97-I101 WeakPolarHBondContact O-CD1 3.17Å; D97-I101 WeakPolarHBondContact O-CG1 3.4Å; D97-I101 PolarHBondContact O-N 2.86Å
98E88.9Confident82.2Confident13 Ų1349.8 Ų49.86%0.06127%0.266CS..Hα-helixtrans-59-46.1172.4-69.6-175.5131.200111.7I86 T88 D89 I94 D95 L100 S102I86-E98 HydrophobicContact CG2-CB 4.07Å; T88-E98 PolarHBondContact N-OE1 3.26Å; T88-E98 PolarHBondContact OG1-OE1 3.29Å; D89-E98 PolarHBondContact N-OE1 3.45Å; I94-E98 WeakPolarHBondContact CA-OE2 3.27Å; I94-E98 HydrophobicContact CG2-CB 4.15Å; D95-E98 PolarHBondContact N-OE2 3.05Å; D95-E98 VanDerWaalsContact N-OE2 3.12Å; D95-E98 PolarHBondContact OD1-N 3.22Å; E98-L100 PolarHBondContact O-N 3.38Å; E98-S102 WeakPolarHBondContact O-CB 3.39Å; E98-S102 PolarHBondContact O-N 3.34Å; E98-S102 PolarHBondContact O-OG 3.21Å
99F88.6Confident80.2Confident3 Ų354.8 Ų54.81%0.01327%0.274CS..Hα-helixtrans-61.7-44.6176.1-170.1-101.6000111.8I43 F47 I50 L58 F63 I94 D95 D97 L103I43-F99 HydrophobicContact CG2-CD1 3.65Å; I43-F99 HydrophobicContact CG2-CE1 3.75Å; F47-F99 HydrophobicContact CB-CD1 4.02Å; F47-F99 HydrophobicContact CB-CE1 3.87Å; F47-F99 HydrophobicContact CD2-CB 3.78Å; F47-F99 AromaticContact CD2-CD1 3.59Å; F47-F99 HydrophobicContact CD2-CD1 3.59Å; F47-F99 HydrophobicContact CD2-CD2 4.06Å; F47-F99 HydrophobicContact CD2-CE1 4.06Å; F47-F99 HydrophobicContact CD2-CE2 4.48Å; F47-F99 AromaticContact CD2-CG 3.57Å; F47-F99 HydrophobicContact CD2-CG 3.57Å; F47-F99 HydrophobicContact CD2-CZ 4.48Å; F47-F99 HydrophobicContact CE2-CB 3.94Å; F47-F99 HydrophobicContact CE2-CG 4.16Å; F47-F99 HydrophobicContact CG-CD1 4.29Å; F47-F99 HydrophobicContact CG-CE1 4.5Å; I50-F99 HydrophobicContact CD1-CE2 4.13Å; I50-F99 HydrophobicContact CD1-CZ 3.84Å; L58-F99 HydrophobicContact CD1-CD2 3.91Å; L58-F99 HydrophobicContact CD1-CE2 3.82Å; F63-F99 HydrophobicContact CE2-CE2 4.49Å; I94-F99 HydrophobicContact CG2-CB 3.83Å; I94-F99 HydrophobicContact CG2-CD2 4.22Å; D95-F99 VanDerWaalsContact O-CB 3.27Å; D95-F99 WeakPolarHBondContact O-CB 3.49Å; D95-F99 PolarHBondContact O-N 3.03Å; D97-F99 PolarHBondContact O-N 3.23Å; F99-L103 HydrophobicContact CD1-CD1 3.95Å; F99-L103 HydrophobicContact CD2-CD1 3.74Å; F99-L103 HydrophobicContact CD2-CG 4.43Å; F99-L103 HydrophobicContact CE1-CD1 3.55Å; F99-L103 HydrophobicContact CE2-CD1 3.31Å; F99-L103 HydrophobicContact CE2-CG 4.4Å; F99-L103 HydrophobicContact CG-CD1 4.05Å; F99-L103 HydrophobicContact CZ-CD1 3.21Å; F99-L103 WeakPolarHBondContact O-CB 3.42Å; F99-L103 WeakPolarHBondContact O-CG 3.38Å; F99-L103 PolarHBondContact O-N 3.07Å
100L85Confident77.8Confident10 Ų1056.2 Ų56.25%0.05228%0.282CS..Hα-helixtrans-64.9-49.9-179.4-178.868.3000111.5I40 I43 F96 D97 E98 S102 R104I40-L100 HydrophobicContact CB-CD1 4.42Å; I40-L100 HydrophobicContact CD1-CD2 3.8Å; I40-L100 HydrophobicContact CG1-CD1 4.01Å; I40-L100 HydrophobicContact CG1-CD2 4.04Å; I43-L100 HydrophobicContact CB-CD1 4.02Å; I43-L100 HydrophobicContact CD1-CD1 3.7Å; I43-L100 HydrophobicContact CG1-CD1 4.45Å; I43-L100 HydrophobicContact CG2-CD1 3.85Å; F96-L100 HydrophobicContact CE1-CD2 4.34Å; F96-L100 WeakPolarHBondContact O-CB 3.35Å; F96-L100 PolarHBondContact O-N 3.16Å; D97-L100 PolarHBondContact O-N 3.21Å; E98-L100 PolarHBondContact O-N 3.38Å; L100-S102 VanDerWaalsContact C-N 3.28Å; L100-S102 PolarHBondContact O-N 3.11Å; L100-R104 VanDerWaalsContact O-CB 3.26Å; L100-R104 WeakPolarHBondContact O-CB 3.2Å; L100-R104 PolarHBondContact O-N 3.49Å; L100-R104 VanDerWaalsContact O-N 3.12Å
101I79.2Confident75.8Confident72 Ų7253.7 Ų53.737%0.36927%0.272SS..Hα-helixtrans-60.6-42.9179.2-70.9166.2000109.9D97D97-I101 WeakPolarHBondContact O-CB 3.46Å; D97-I101 WeakPolarHBondContact O-CD1 3.17Å; D97-I101 WeakPolarHBondContact O-CG1 3.4Å; D97-I101 PolarHBondContact O-N 2.86Å
102S82.5Confident74.1Confident13 Ų1359 Ų599%0.09129%0.288CS..Hα-helixtrans-75.2-37.4-175-67.10000113.5R29 E98 L100R29-S102 PolarHBondContact NE-O 3.05Å; R29-S102 PolarHBondContact NH2-O 3.31Å; E98-S102 WeakPolarHBondContact O-CB 3.39Å; E98-S102 PolarHBondContact O-N 3.34Å; E98-S102 PolarHBondContact O-OG 3.21Å; L100-S102 VanDerWaalsContact C-N 3.28Å; L100-S102 PolarHBondContact O-N 3.11Å
103L82.4Confident72.4Confident5 Ų558 Ų583%0.02627%0.273CS..Hα-helixtrans-94-12.9-175.1-63.6-173.1000114.8L28 R29 F99 V105L28-L103 HydrophobicContact CD2-CD2 3.65Å; L28-L103 HydrophobicContact CG-CD2 3.73Å; R29-L103 HydrophobicContact CG-CD2 4.44Å; F99-L103 HydrophobicContact CD1-CD1 3.95Å; F99-L103 HydrophobicContact CD2-CD1 3.74Å; F99-L103 HydrophobicContact CD2-CG 4.43Å; F99-L103 HydrophobicContact CE1-CD1 3.55Å; F99-L103 HydrophobicContact CE2-CD1 3.31Å; F99-L103 HydrophobicContact CE2-CG 4.4Å; F99-L103 HydrophobicContact CG-CD1 4.05Å; F99-L103 HydrophobicContact CZ-CD1 3.21Å; F99-L103 WeakPolarHBondContact O-CB 3.42Å; F99-L103 WeakPolarHBondContact O-CG 3.38Å; F99-L103 PolarHBondContact O-N 3.07Å; L103-V105 WeakPolarHBondContact O-CG2 3.46Å; L103-V105 PolarHBondContact O-N 2.81Å
104R72.9Confident70.6Confident11 Ų1160.8 Ų60.84%0.04229%0.285CS..  trans-69.5107.5179.7-163.2175.2-161.9-144.323.2111.3I43 L100 S198 A199 V201 D202I43-R104 HydrophobicContact CD1-CB 4.11Å; I43-R104 HydrophobicContact CD1-CG 4.26Å; L100-R104 VanDerWaalsContact O-CB 3.26Å; L100-R104 WeakPolarHBondContact O-CB 3.2Å; L100-R104 PolarHBondContact O-N 3.49Å; L100-R104 VanDerWaalsContact O-N 3.12Å; R104-S198 VanDerWaalsContact NH1-C 3.31Å; R104-S198 PolarHBondContact NH1-O 3.28Å; R104-A199 VanDerWaalsContact CD-O 3.3Å; R104-A199 WeakPolarHBondContact CD-O 3.01Å; R104-A199 VanDerWaalsContact CZ-C 3.4Å; R104-A199 PolarHBondContact NE-O 3Å; R104-A199 VanDerWaalsContact NH1-C 3.31Å; R104-A199 PolarHBondContact NH1-O 3.21Å; R104-A199 VanDerWaalsContact NH1-O 3.16Å; R104-A199 PolarHBondContact NH2-O 3.23Å; R104-A199 VanDerWaalsContact NH2-O 3.11Å; R104-V201 PolarHBondContact NH2-O 2.73Å; R104-D202 IonicContact NH2-OD1 3.61Å
105V63.2Low69Low22 Ų2261.1 Ų61.113%0.13329%0.287CS..  trans-88.3131.5175.9-171.80000110.4R29 Y30 L33 L103 F107R29-V105 HydrophobicContact CB-CG2 3.3Å; R29-V105 HydrophobicContact CG-CG2 3.62Å; R29-V105 WeakPolarHBondContact O-CG2 2.81Å; Y30-V105 HydrophobicContact CD1-CG1 4.01Å; Y30-V105 HydrophobicContact CE1-CG1 3.65Å; L33-V105 HydrophobicContact CD2-CB 4.45Å; L103-V105 WeakPolarHBondContact O-CG2 3.46Å; L103-V105 PolarHBondContact O-N 2.81Å; V105-F107 HydrophobicContact CG1-CZ 4.49Å
106R57.9Low67.7Low45 Ų4559.4 Ų59.417%0.1728%0.28CS..  trans-127.1141.2152.8-61.6-168.2177.5166.20.9110.5D108 P116R106-D108 WeakPolarHBondContact CB-OD1 3.24Å; R106-D108 PolarHBondContact O-N 3.11Å; R106-P116 HydrophobicContact CB-CB 4.5Å; R106-P116 HydrophobicContact CB-CG 4.03Å; R106-P116 WeakPolarHBondContact CD-O 3.36Å
107F55.4Low67.1Low49 Ų4956.8 Ų56.822%0.21527%0.268CS..  trans-82.55.3-177.2-65.3-83.6000113.2L10 K13 A14 Q17 Y30 L33 V105 Y109L10-F107 HydrophobicContact CB-CE2 4.38Å; L10-F107 HydrophobicContact CD2-CD2 3.57Å; L10-F107 HydrophobicContact CD2-CE2 3.71Å; L10-F107 WeakPolarHBondContact O-CE2 3.33Å; K13-F107 HydrophobicContact CB-CD1 4.15Å; K13-F107 HydrophobicContact CB-CD2 4.11Å; K13-F107 HydrophobicContact CB-CE1 3.79Å; K13-F107 HydrophobicContact CB-CE2 3.75Å; K13-F107 HydrophobicContact CB-CG 4.3Å; K13-F107 HydrophobicContact CB-CZ 3.6Å; K13-F107 HydrophobicContact CD-CD2 4.11Å; K13-F107 HydrophobicContact CD-CE2 4.5Å; K13-F107 HydrophobicContact CD-CG 4.24Å; A14-F107 HydrophobicContact CB-CZ 3.95Å; A14-F107 VanDerWaalsContact N-CZ 3.31Å; Q17-F107 HydrophobicContact CG-CD1 4.17Å; Q17-F107 HydrophobicContact CG-CE1 3.67Å; Y30-F107 AromaticContact CD1-CE1 3.84Å; Y30-F107 HydrophobicContact CD1-CE1 3.84Å; Y30-F107 AromaticContact CD1-CZ 3.9Å; Y30-F107 HydrophobicContact CD1-CZ 3.9Å; Y30-F107 HydrophobicContact CE1-CD1 4.03Å; Y30-F107 AromaticContact CE1-CE1 3.26Å; Y30-F107 HydrophobicContact CE1-CE1 3.26Å; Y30-F107 AromaticContact CE1-CZ 3.76Å; Y30-F107 HydrophobicContact CE1-CZ 3.76Å; L33-F107 HydrophobicContact CD2-CE2 3.39Å; L33-F107 HydrophobicContact CD2-CZ 3.62Å; V105-F107 HydrophobicContact CG1-CZ 4.49Å; F107-Y109 PolarHBondContact O-N 3Å
108D55Low67Low45 Ų4552.7 Ų52.724%0.24125%0.248CC..  trans-79.5101.1174.139.616.6000110.2R106 L110 M117 S118R106-D108 WeakPolarHBondContact CB-OD1 3.24Å; R106-D108 PolarHBondContact O-N 3.11Å; D108-L110 PolarHBondContact O-N 3.16Å; D108-M117 VanDerWaalsContact OD2-C 3.24Å; D108-S118 WeakPolarHBondContact OD2-CA 3.47Å; D108-S118 WeakPolarHBondContact OD2-CB 3.37Å; D108-S118 PolarHBondContact OD2-N 2.84Å
109Y44.3Very low66.8Low210 Ų21059.5 Ų59.582%0.82428%0.277SS*.  trans-73.644.3-168.2-161.1-99.3000115F107F107-Y109 PolarHBondContact O-N 3Å
110L39.4Very low66.8Low129 Ų12962.1 Ų62.168%0.67530%0.295SS*.  trans-117.277.5174.1-130.686.1000111.1D108 K112 L122D108-L110 PolarHBondContact O-N 3.16Å; L110-K112 PolarHBondContact O-N 3.06Å; L110-K112 VanDerWaalsContact O-N 3.16Å; L110-L122 HydrophobicContact CD2-CD1 4.43Å
111I49.4Very low67.1Low117 Ų11761.7 Ų61.760%0.629%0.293SS*.THydrogen-bonded Turntrans-84.189.4-175-52.8172.9000109.5
112K57.7Low67.7Low166 Ų16659.4 Ų59.472%0.72228%0.281SS*.THydrogen-bonded Turntrans-114.3-19.8148.7-79.5-167.4175.1-168.90112.4L110L110-K112 PolarHBondContact O-N 3.06Å; L110-K112 VanDerWaalsContact O-N 3.16Å
113F58.1Low68.2Low17 Ų1762.5 Ų62.58%0.07530%0.297CS..SBendtrans-126.5144.2-173.9-48-62.2000109.6P115 L122 E188 F191 N192F113-P115 CarbonylContact C-O 3.41Å; F113-P115 CarbonylContact O-C 3.54Å; F113-P115 VanDerWaalsContact O-O 3.1Å; F113-L122 HydrophobicContact CD2-CD2 4.12Å; F113-L122 HydrophobicContact CE2-CD2 4.38Å; F113-E188 HydrophobicContact CE1-CB 4.35Å; F113-E188 HydrophobicContact CE1-CG 4.13Å; F113-F191 HydrophobicContact CD1-CB 3.58Å; F113-F191 HydrophobicContact CD2-CB 3.83Å; F113-F191 AromaticContact CD2-CD1 3.83Å; F113-F191 HydrophobicContact CD2-CD1 3.83Å; F113-F191 HydrophobicContact CD2-CG 4.22Å; F113-F191 HydrophobicContact CE1-CB 3.5Å; F113-F191 VanDerWaalsContact CE1-CB 3.5Å; F113-F191 HydrophobicContact CE1-CG 4.22Å; F113-F191 HydrophobicContact CE2-CB 3.71Å; F113-F191 AromaticContact CE2-CD1 3.4Å; F113-F191 HydrophobicContact CE2-CD1 3.4Å; F113-F191 HydrophobicContact CE2-CE1 4.22Å; F113-F191 AromaticContact CE2-CG 3.75Å; F113-F191 HydrophobicContact CE2-CG 3.75Å; F113-F191 HydrophobicContact CG-CB 3.76Å; F113-F191 HydrophobicContact CZ-CB 3.54Å; F113-F191 AromaticContact CZ-CD1 3.88Å; F113-F191 HydrophobicContact CZ-CD1 3.88Å; F113-F191 AromaticContact CZ-CG 3.74Å; F113-F191 HydrophobicContact CZ-CG 3.74Å; F113-N192 WeakPolarHBondContact CD1-OD1 3.41Å
114K58.4Low68.8Low127 Ų12762.3 Ų62.355%0.55230%0.296SS*.SBendtrans-117.6127.8178.4-73.6-175.7177.1-177.70109.6E85E85-K114 IonicContact OE1-NZ 3.29Å
115P61.6Low69.8Low6 Ų661.8 Ų61.84%0.03929%0.294CS..SBendcis-65.5166.5-7.228-35.1000113.7F113 S195 A199F113-P115 CarbonylContact C-O 3.41Å; F113-P115 CarbonylContact O-C 3.54Å; F113-P115 VanDerWaalsContact O-O 3.1Å; P115-S195 WeakPolarHBondContact CD-OG 3.26Å; P115-S195 WeakPolarHBondContact CG-OG 3.41Å; P115-S195 VanDerWaalsContact N-OG 3.16Å; P115-S195 PolarHBondContact O-OG 3.43Å; P115-A199 HydrophobicContact CG-CB 3.82Å
116P66.2Low71.3Confident26 Ų2663.2 Ų63.217%0.16930%0.301CS..  trans-67.8148.3174.822.2-28000112.1R106R106-P116 HydrophobicContact CB-CB 4.5Å; R106-P116 HydrophobicContact CB-CG 4.03Å; R106-P116 WeakPolarHBondContact CD-O 3.36Å
117M76.6Confident73.1Confident5 Ų566 Ų663%0.02531%0.314CS..  trans-123.4148.6-180-71.9-166.9-81.500111.7D108 R121 L122 L125 F191 S198 F207D108-M117 VanDerWaalsContact OD2-C 3.24Å; M117-R121 HydrophobicContact CB-CB 4.25Å; M117-R121 HydrophobicContact SD-CB 4.42Å; M117-L122 HydrophobicContact CB-CD2 4.08Å; M117-L122 HydrophobicContact CB-CG 4.11Å; M117-L122 HydrophobicContact CE-CD2 3.98Å; M117-L125 HydrophobicContact CE-CD1 3.45Å; M117-L125 VanDerWaalsContact CE-CD1 3.45Å; M117-L125 HydrophobicContact SD-CD1 3.6Å; M117-F191 HydrophobicContact CE-CD1 4.44Å; M117-F191 WeakPolarHBondContact CE-O 2.9Å; M117-S198 VanDerWaalsContact SD-CB 3.53Å; M117-F207 HydrophobicContact SD-CZ 4.45Å
118S84.1Confident74.9Confident15 Ų1563.7 Ų63.711%0.10530%0.304CS..  trans-68.2155.2178.878.80000111.1D108 C120 R121 L122 D204D108-S118 WeakPolarHBondContact OD2-CA 3.47Å; D108-S118 WeakPolarHBondContact OD2-CB 3.37Å; D108-S118 PolarHBondContact OD2-N 2.84Å; S118-C120 PolarHBondContact O-N 3.44Å; S118-R121 PolarHBondContact O-N 3.22Å; S118-R121 PolarHBondContact OG-N 2.75Å; S118-L122 WeakPolarHBondContact O-CG 3.05Å; S118-L122 PolarHBondContact O-N 2.97Å; S118-D204 VanDerWaalsContact CB-OD2 3.31Å; S118-D204 WeakPolarHBondContact CB-OD2 3.26Å; S118-D204 PolarHBondContact OG-OD2 3Å
119K85.2Confident76.7Confident156 Ų15661.8 Ų61.868%0.67829%0.294SS*.Hα-helixtrans-53.2-40.7177.7-174.1179.9176.3-177.80111.8R121 L122 D123K119-R121 PolarHBondContact O-N 2.85Å; K119-L122 PolarHBondContact O-N 2.93Å; K119-D123 WeakPolarHBondContact O-CB 3.3Å; K119-D123 PolarHBondContact O-N 3.09Å
120C88.9Confident79.1Confident59 Ų5956.8 Ų56.840%0.39928%0.28SS..Hα-helixtrans-60.3-44.2177.7-175.30000112.1S118 D123 V124S118-C120 PolarHBondContact O-N 3.44Å; C120-D123 PolarHBondContact O-N 2.68Å; C120-V124 PolarHBondContact O-N 2.8Å; C120-V124 VanDerWaalsContact O-N 3.12Å
121R91.6Very high81.6Confident0 Ų053.7 Ų53.70%026%0.262CS..Hα-helixtrans-66.3-41.5175.9-63.3-167.1-168-149.1-9.9112.1M117 S118 K119 D123 V124 L125 S198 V201 D202 D204 F207M117-R121 HydrophobicContact CB-CB 4.25Å; M117-R121 HydrophobicContact SD-CB 4.42Å; S118-R121 PolarHBondContact O-N 3.22Å; S118-R121 PolarHBondContact OG-N 2.75Å; K119-R121 PolarHBondContact O-N 2.85Å; R121-D123 VanDerWaalsContact C-N 3.32Å; R121-D123 PolarHBondContact O-N 3.03Å; R121-V124 VanDerWaalsContact O-CG1 3.26Å; R121-V124 WeakPolarHBondContact O-CG1 3.38Å; R121-V124 PolarHBondContact O-N 3.23Å; R121-L125 WeakPolarHBondContact O-CB 3.32Å; R121-L125 VanDerWaalsContact O-CG 3.25Å; R121-L125 WeakPolarHBondContact O-CG 3.47Å; R121-L125 PolarHBondContact O-N 3.01Å; R121-S198 WeakPolarHBondContact CD-OG 3.46Å; R121-S198 PolarHBondContact NH1-O 3.23Å; R121-S198 PolarHBondContact NH1-OG 3.4Å; R121-V201 PolarHBondContact NH1-O 2.89Å; R121-V201 PolarHBondContact NH2-O 3.19Å; R121-D202 PolarHBondContact NH2-O 3.19Å; R121-D204 IonicContact CZ-OD1 3.19Å; R121-D204 IonicContact NE-OD1 3.96Å; R121-D204 PolarHBondContact NE-OD1 3.4Å; R121-D204 IonicContact NH2-OD1 2.65Å; R121-D204 PolarHBondContact NH2-OD1 3.37Å; R121-F207 HydrophobicContact CB-CD1 3.8Å; R121-F207 HydrophobicContact CB-CE1 3.72Å; R121-F207 HydrophobicContact CG-CB 4.37Å; R121-F207 HydrophobicContact CG-CD1 3.45Å; R121-F207 VanDerWaalsContact CG-CD1 3.45Å; R121-F207 HydrophobicContact CG-CE1 3.9Å; R121-F207 HydrophobicContact CG-CG 4.02Å
122L90.8Very high83.5Confident24 Ų2448.2 Ų48.213%0.12623%0.234CC..Hα-helixtrans-62.7-40.1175.6-68172.8000111.6L110 F113 M117 S118 K119 L125 N126 F191L110-L122 HydrophobicContact CD2-CD1 4.43Å; F113-L122 HydrophobicContact CD2-CD2 4.12Å; F113-L122 HydrophobicContact CE2-CD2 4.38Å; M117-L122 HydrophobicContact CB-CD2 4.08Å; M117-L122 HydrophobicContact CB-CG 4.11Å; M117-L122 HydrophobicContact CE-CD2 3.98Å; S118-L122 WeakPolarHBondContact O-CG 3.05Å; S118-L122 PolarHBondContact O-N 2.97Å; K119-L122 PolarHBondContact O-N 2.93Å; L122-L125 PolarHBondContact O-N 3.47Å; L122-N126 VanDerWaalsContact O-CB 3.3Å; L122-N126 WeakPolarHBondContact O-CB 3.28Å; L122-N126 PolarHBondContact O-N 2.86Å; L122-F191 HydrophobicContact CD2-CD1 3.78Å; L122-F191 HydrophobicContact CD2-CE1 3.86Å
123D93Very high85.2Confident79 Ų7940.8 Ų40.842%0.42220%0.202SC..Hα-helixtrans-65.8-42.8180-70.9-18.6000111.6K119 C120 R121 N126 K127K119-D123 WeakPolarHBondContact O-CB 3.3Å; K119-D123 PolarHBondContact O-N 3.09Å; C120-D123 PolarHBondContact O-N 2.68Å; R121-D123 VanDerWaalsContact C-N 3.32Å; R121-D123 PolarHBondContact O-N 3.03Å; D123-N126 PolarHBondContact O-N 3.45Å; D123-K127 WeakPolarHBondContact O-CG 2.95Å; D123-K127 PolarHBondContact O-N 3.46Å; D123-K127 VanDerWaalsContact O-N 3.11Å
124V94.9Very high86.7Confident1 Ų145.2 Ų45.21%0.00622%0.221CC..Hα-helixtrans-70.8-37.1177.373.30000112.1C120 R121 N126 K127 A128 F207 I211 R212 L217C120-V124 PolarHBondContact O-N 2.8Å; C120-V124 VanDerWaalsContact O-N 3.12Å; R121-V124 VanDerWaalsContact O-CG1 3.26Å; R121-V124 WeakPolarHBondContact O-CG1 3.38Å; R121-V124 PolarHBondContact O-N 3.23Å; V124-N126 VanDerWaalsContact C-N 3.34Å; V124-K127 WeakPolarHBondContact O-CB 3.38Å; V124-K127 PolarHBondContact O-N 2.93Å; V124-A128 PolarHBondContact O-N 3.47Å; V124-F207 HydrophobicContact CG1-CD1 4.26Å; V124-F207 HydrophobicContact CG1-CE1 4.19Å; V124-I211 HydrophobicContact CB-CG2 4.47Å; V124-I211 HydrophobicContact CG1-CB 4.14Å; V124-I211 HydrophobicContact CG1-CG1 4.24Å; V124-I211 HydrophobicContact CG1-CG2 4.19Å; V124-I211 HydrophobicContact CG2-CB 3.95Å; V124-I211 HydrophobicContact CG2-CG2 3.73Å; V124-R212 HydrophobicContact CG2-CG 3.98Å; V124-L217 HydrophobicContact CG2-CD1 3.79Å
125L94.1Very high88.3Confident0 Ų041.9 Ų41.90%021%0.211CC..Hα-helixtrans-66.1-37.2173.3-71.3176.6000112M117 R121 L122 K127 A128 F129 F190 F191 Y194 F207 I211M117-L125 HydrophobicContact CE-CD1 3.45Å; M117-L125 VanDerWaalsContact CE-CD1 3.45Å; M117-L125 HydrophobicContact SD-CD1 3.6Å; R121-L125 WeakPolarHBondContact O-CB 3.32Å; R121-L125 VanDerWaalsContact O-CG 3.25Å; R121-L125 WeakPolarHBondContact O-CG 3.47Å; R121-L125 PolarHBondContact O-N 3.01Å; L122-L125 PolarHBondContact O-N 3.47Å; L125-K127 VanDerWaalsContact C-N 3.31Å; L125-K127 PolarHBondContact O-N 3.01Å; L125-A128 WeakPolarHBondContact O-CB 3.01Å; L125-A128 PolarHBondContact O-N 3.46Å; L125-F129 WeakPolarHBondContact O-CB 3.43Å; L125-F129 PolarHBondContact O-N 3.37Å; L125-F190 HydrophobicContact CD2-CE1 4.21Å; L125-F191 HydrophobicContact CB-CD1 4.42Å; L125-F191 HydrophobicContact CB-CE1 3.96Å; L125-F191 HydrophobicContact CB-CZ 4.03Å; L125-F191 HydrophobicContact CD1-CD1 4.4Å; L125-Y194 HydrophobicContact CD1-CG 4.49Å; L125-Y194 HydrophobicContact CD2-CD1 3.92Å; L125-Y194 HydrophobicContact CD2-CD2 3.71Å; L125-Y194 HydrophobicContact CD2-CE2 4.45Å; L125-Y194 HydrophobicContact CD2-CG 3.42Å; L125-Y194 VanDerWaalsContact CD2-CG 3.42Å; L125-F207 HydrophobicContact CD1-CE1 4.25Å; L125-F207 HydrophobicContact CD1-CZ 4.14Å; L125-F207 HydrophobicContact CD2-CE1 4.24Å; L125-F207 HydrophobicContact CD2-CZ 4.14Å; L125-F207 HydrophobicContact CG-CE1 4.06Å; L125-F207 HydrophobicContact CG-CZ 4.25Å; L125-I211 HydrophobicContact CD2-CD1 3.73Å; L125-I211 HydrophobicContact CD2-CG1 4.01Å; L125-I211 HydrophobicContact CD2-CG2 4.26Å
126N94.2Very high89.7Confident52 Ų5250 Ų5028%0.27825%0.246SC..Hα-helixtrans-63.7-38.9174.4-168.374.6000111.6L122 D123 V124 L130 R187 F191L122-N126 VanDerWaalsContact O-CB 3.3Å; L122-N126 WeakPolarHBondContact O-CB 3.28Å; L122-N126 PolarHBondContact O-N 2.86Å; D123-N126 PolarHBondContact O-N 3.45Å; V124-N126 VanDerWaalsContact C-N 3.34Å; N126-L130 WeakPolarHBondContact ND2-CD1 3.3Å; N126-L130 WeakPolarHBondContact O-CB 3.15Å; N126-L130 VanDerWaalsContact O-CG 3.26Å; N126-L130 WeakPolarHBondContact O-CG 3.36Å; N126-L130 PolarHBondContact O-N 3.5Å; N126-R187 PolarHBondContact OD1-NH2 3.07Å; N126-F191 HydrophobicContact CB-CZ 4.13Å
127K95.2Very high90.9Very high104 Ų10453.5 Ų53.545%0.45226%0.263SS..Hα-helixtrans-64.2-41.6172.6-69.5172.1-173.9176.10112D123 V124 L125 K131 L217D123-K127 WeakPolarHBondContact O-CG 2.95Å; D123-K127 PolarHBondContact O-N 3.46Å; D123-K127 VanDerWaalsContact O-N 3.11Å; V124-K127 WeakPolarHBondContact O-CB 3.38Å; V124-K127 PolarHBondContact O-N 2.93Å; L125-K127 VanDerWaalsContact C-N 3.31Å; L125-K127 PolarHBondContact O-N 3.01Å; K127-K131 WeakPolarHBondContact O-CB 3.26Å; K127-K131 PolarHBondContact O-N 3.39Å; K127-L217 HydrophobicContact CB-CD1 3.93Å; K127-L217 HydrophobicContact CB-CD2 4.15Å
128A94.3Very high91.6Very high0 Ų055.1 Ų55.10%028%0.281CS..Hα-helixtrans-61.3-49.6175.300000111.6V124 L125 K131 M132 F190 I211 F215 L217V124-A128 PolarHBondContact O-N 3.47Å; L125-A128 WeakPolarHBondContact O-CB 3.01Å; L125-A128 PolarHBondContact O-N 3.46Å; A128-K131 WeakPolarHBondContact O-CB 3.45Å; A128-K131 PolarHBondContact O-N 3.11Å; A128-K131 VanDerWaalsContact O-N 3.15Å; A128-M132 WeakPolarHBondContact O-CG 3.25Å; A128-M132 PolarHBondContact O-N 3.44Å; A128-M132 VanDerWaalsContact O-N 3.11Å; A128-F190 HydrophobicContact CB-CE1 4.3Å; A128-F190 HydrophobicContact CB-CZ 4.02Å; A128-I211 HydrophobicContact CB-CG2 3.87Å; A128-F215 HydrophobicContact CB-CB 4.23Å; A128-F215 HydrophobicContact CB-CD1 4.37Å; A128-F215 HydrophobicContact CB-CD2 3.46Å; A128-F215 VanDerWaalsContact CB-CD2 3.46Å; A128-F215 HydrophobicContact CB-CE2 3.8Å; A128-F215 HydrophobicContact CB-CG 3.75Å; A128-F215 HydrophobicContact CB-CZ 4.4Å; A128-L217 HydrophobicContact CB-CD1 4.34Å
129F93.4Very high91.9Very high4 Ų455.1 Ų55.12%0.01828%0.282CS..Hα-helixtrans-58.2-52.5178.6-173.4-90.3000111.7L125 K131 M132 D133 G138 I140 R187 F190 F191L125-F129 WeakPolarHBondContact O-CB 3.43Å; L125-F129 PolarHBondContact O-N 3.37Å; F129-K131 PolarHBondContact O-N 2.82Å; F129-M132 PolarHBondContact O-N 3.12Å; F129-D133 HydrophobicContact CD1-CB 4.45Å; F129-D133 HydrophobicContact CE1-CB 4.09Å; F129-D133 PolarHBondContact O-N 2.71Å; F129-G138 WeakPolarHBondContact CZ-O 3.41Å; F129-I140 HydrophobicContact CD2-CD1 3.65Å; F129-I140 HydrophobicContact CD2-CG1 4.23Å; F129-I140 HydrophobicContact CE2-CD1 3.65Å; F129-I140 HydrophobicContact CE2-CG1 3.83Å; F129-I140 HydrophobicContact CZ-CG1 4.26Å; F129-R187 HydrophobicContact CD1-CG 4.31Å; F129-R187 HydrophobicContact CD2-CG 4.4Å; F129-R187 HydrophobicContact CE1-CB 4.13Å; F129-R187 HydrophobicContact CE1-CG 4.19Å; F129-R187 VanDerWaalsContact CE2-CA 3.45Å; F129-R187 HydrophobicContact CE2-CB 3.96Å; F129-R187 HydrophobicContact CE2-CG 4.28Å; F129-R187 HydrophobicContact CG-CG 4.42Å; F129-R187 HydrophobicContact CZ-CB 3.73Å; F129-R187 HydrophobicContact CZ-CG 4.18Å; F129-F190 HydrophobicContact CB-CD1 4.16Å; F129-F190 HydrophobicContact CB-CE1 4.1Å; F129-F190 HydrophobicContact CD2-CB 3.83Å; F129-F190 AromaticContact CD2-CD1 3.88Å; F129-F190 HydrophobicContact CD2-CD1 3.88Å; F129-F190 HydrophobicContact CD2-CD2 4.24Å; F129-F190 AromaticContact CD2-CG 3.72Å; F129-F190 HydrophobicContact CD2-CG 3.72Å; F129-F190 HydrophobicContact CE2-CB 4.11Å; F129-F190 HydrophobicContact CE2-CG 4.43Å; F129-F191 HydrophobicContact CB-CE2 4.2Å; F129-F191 HydrophobicContact CG-CE2 4.45Å
130L93.1Very high92.2Very high105 Ų10547.7 Ų47.755%0.5525%0.25SC..Hα-helixtrans-63.3-24.2178.4-69.9174.7000113.7N126N126-L130 WeakPolarHBondContact ND2-CD1 3.3Å; N126-L130 WeakPolarHBondContact O-CB 3.15Å; N126-L130 VanDerWaalsContact O-CG 3.26Å; N126-L130 WeakPolarHBondContact O-CG 3.36Å; N126-L130 PolarHBondContact O-N 3.5Å
131K92.2Very high92.2Very high65 Ų6546 Ų4628%0.28324%0.238SC..Hα-helixtrans-73.7-36.2174176.3169.8-179.2172.40111.3K127 A128 F129 K134 F215 K216 L217K127-K131 WeakPolarHBondContact O-CB 3.26Å; K127-K131 PolarHBondContact O-N 3.39Å; A128-K131 WeakPolarHBondContact O-CB 3.45Å; A128-K131 PolarHBondContact O-N 3.11Å; A128-K131 VanDerWaalsContact O-N 3.15Å; F129-K131 PolarHBondContact O-N 2.82Å; K131-K134 WeakPolarHBondContact O-CE 3.3Å; K131-K134 PolarHBondContact O-NZ 3.24Å; K131-F215 VanDerWaalsContact CD-O 3.25Å; K131-F215 WeakPolarHBondContact CD-O 3.35Å; K131-F215 WeakPolarHBondContact CE-O 3.29Å; K131-F215 PolarHBondContact NZ-O 3.32Å; K131-K216 VanDerWaalsContact NZ-C 3.33Å; K131-K216 PolarHBondContact NZ-O 3.46Å; K131-L217 HydrophobicContact CB-CD2 4.12Å; K131-L217 HydrophobicContact CD-CD2 3.75Å
132M90.4Very high92Very high2 Ų247.2 Ų47.21%0.0124%0.244CC..Hα-helixtrans-76.3-48.4179.1-67.8-174.978.600111.5A128 F129 K134 I140 D144 L145 Y149 F171 F190 F215A128-M132 WeakPolarHBondContact O-CG 3.25Å; A128-M132 PolarHBondContact O-N 3.44Å; A128-M132 VanDerWaalsContact O-N 3.11Å; F129-M132 PolarHBondContact O-N 3.12Å; M132-K134 VanDerWaalsContact C-N 3.33Å; M132-K134 PolarHBondContact O-N 3.3Å; M132-I140 HydrophobicContact CB-CD1 3.6Å; M132-I140 HydrophobicContact CB-CG1 3.79Å; M132-I140 HydrophobicContact CB-CG2 4.29Å; M132-I140 HydrophobicContact CE-CD1 4.1Å; M132-I140 HydrophobicContact CE-CG2 3.96Å; M132-I140 HydrophobicContact CG-CD1 4.29Å; M132-I140 HydrophobicContact SD-CD1 3.72Å; M132-D144 WeakPolarHBondContact O-CB 3.4Å; M132-L145 HydrophobicContact CE-CD2 3.5Å; M132-Y149 HydrophobicContact CE-CE2 4.45Å; M132-F171 HydrophobicContact CE-CE1 4.31Å; M132-F190 HydrophobicContact SD-CD2 4.47Å; M132-F190 HydrophobicContact SD-CE2 3.58Å; M132-F190 VanDerWaalsContact SD-CE2 3.58Å; M132-F190 HydrophobicContact SD-CZ 4.2Å; M132-F215 HydrophobicContact CE-CE1 4.22Å; M132-F215 HydrophobicContact CG-CD1 4.09Å; M132-F215 HydrophobicContact CG-CE1 4.02Å; M132-F215 HydrophobicContact SD-CD1 3.88Å; M132-F215 HydrophobicContact SD-CE1 3.21Å; M132-F215 WeakPolarHBondContact SD-CE1 3.4Å; M132-F215 HydrophobicContact SD-CZ 3.95Å
133D92.9Very high91.9Very high9 Ų953.1 Ų53.15%0.04827%0.271CS..  trans-66.985.2175.9178.68.3000110.5F129 T135 K136 D137 G138 I140F129-D133 HydrophobicContact CD1-CB 4.45Å; F129-D133 HydrophobicContact CE1-CB 4.09Å; F129-D133 PolarHBondContact O-N 2.71Å; D133-T135 PolarHBondContact OD1-OG1 2.95Å; D133-K136 WeakPolarHBondContact OD1-CA 3.42Å; D133-K136 PolarHBondContact OD1-N 3.33Å; D133-D137 PolarHBondContact OD1-N 2.87Å; D133-G138 WeakPolarHBondContact OD2-CA 3.49Å; D133-G138 PolarHBondContact OD2-N 3.33Å; D133-I140 HydrophobicContact CB-CG1 4.48Å
134K90.1Very high91.7Very high111 Ų11149.4 Ų49.448%0.48325%0.251SS..SBendtrans-78.6-38.3-179.5-68.2-54.8-174.3-162.90111.2K131 M132 K136 D144 V148K131-K134 WeakPolarHBondContact O-CE 3.3Å; K131-K134 PolarHBondContact O-NZ 3.24Å; M132-K134 VanDerWaalsContact C-N 3.33Å; M132-K134 PolarHBondContact O-N 3.3Å; K134-K136 PolarHBondContact O-N 2.93Å; K134-D144 WeakPolarHBondContact CA-OD1 3.16Å; K134-D144 WeakPolarHBondContact CB-OD1 3.29Å; K134-D144 PolarHBondContact N-OD1 3.49Å; K134-V148 HydrophobicContact CG-CG2 4.34Å
135T90.8Very high91.3Very high57 Ų5749.4 Ų49.435%0.3525%0.251SS..SBendtrans-66.7-25.7176.759.30000111.5D133 D137 E143 D144D133-T135 PolarHBondContact OD1-OG1 2.95Å; T135-D137 VanDerWaalsContact C-N 3.26Å; T135-D137 PolarHBondContact OG1-OD1 2.99Å; T135-D137 PolarHBondContact OG1-OD2 2.77Å; T135-E143 HydrophobicContact CG2-CG 4.34Å; T135-D144 WeakPolarHBondContact CG2-OD1 3.23Å; T135-D144 PolarHBondContact N-OD1 2.9Å; T135-D144 PolarHBondContact OG1-OD1 3.18Å
136K91.1Very high90.9Very high177 Ų17753.9 Ų53.977%0.7727%0.27SS*.  trans63.430.5-175.2-55.5-178.7-179.5177.60112.8D133 K134 G138D133-K136 WeakPolarHBondContact OD1-CA 3.42Å; D133-K136 PolarHBondContact OD1-N 3.33Å; K134-K136 PolarHBondContact O-N 2.93Å; K136-G138 VanDerWaalsContact C-N 3.29Å
137D91Very high90Very high99 Ų9954.5 Ų54.553%0.52929%0.289SS..SBendtrans-85.8-5.4176.961.931.7000112.7D133 T135 A139D133-D137 PolarHBondContact OD1-N 2.87Å; T135-D137 VanDerWaalsContact C-N 3.26Å; T135-D137 PolarHBondContact OG1-OD1 2.99Å; T135-D137 PolarHBondContact OG1-OD2 2.77Å; D137-A139 PolarHBondContact OD1-N 2.78Å
138G91.4Very high89.2Confident39 Ų3952.5 Ų52.540%0.40229%0.285SS..SBendtrans90.57.9179.100000114F129 D133 K136F129-G138 WeakPolarHBondContact CZ-O 3.41Å; D133-G138 WeakPolarHBondContact OD2-CA 3.49Å; D133-G138 PolarHBondContact OD2-N 3.33Å; K136-G138 VanDerWaalsContact C-N 3.29Å
139A91.7Very high88.5Confident14 Ų1456.3 Ų56.312%0.11630%0.3CS..EExtended strand (participates in β ladder)trans-131.1168.4171.700000111.1D137 I184 I185D137-A139 PolarHBondContact OD1-N 2.78Å; A139-I184 HydrophobicContact CB-CG2 3.44Å; A139-I184 VanDerWaalsContact CB-CG2 3.44Å; A139-I185 WeakPolarHBondContact CA-O 3.47Å
140I90.2Very high88Confident0 Ų061.1 Ų61.10%033%0.326CS..EExtended strand (participates in β ladder)trans-111.9119.9172.1-59.9161.8000107.4F129 M132 D133 D144 L145 L172 I185 F190F129-I140 HydrophobicContact CD2-CD1 3.65Å; F129-I140 HydrophobicContact CD2-CG1 4.23Å; F129-I140 HydrophobicContact CE2-CD1 3.65Å; F129-I140 HydrophobicContact CE2-CG1 3.83Å; F129-I140 HydrophobicContact CZ-CG1 4.26Å; M132-I140 HydrophobicContact CB-CD1 3.6Å; M132-I140 HydrophobicContact CB-CG1 3.79Å; M132-I140 HydrophobicContact CB-CG2 4.29Å; M132-I140 HydrophobicContact CE-CD1 4.1Å; M132-I140 HydrophobicContact CE-CG2 3.96Å; M132-I140 HydrophobicContact CG-CD1 4.29Å; M132-I140 HydrophobicContact SD-CD1 3.72Å; D133-I140 HydrophobicContact CB-CG1 4.48Å; I140-D144 HydrophobicContact CG2-CB 4.29Å; I140-L145 HydrophobicContact CG2-CD2 4Å; I140-L145 HydrophobicContact CG2-CG 4.29Å; I140-L172 HydrophobicContact CG2-CD2 4.32Å; I140-I185 HydrophobicContact CB-CB 4.2Å; I140-I185 PolarHBondContact N-O 3.4Å; I140-I185 PolarHBondContact O-N 3.07Å; I140-F190 HydrophobicContact CD1-CD2 3.75Å; I140-F190 HydrophobicContact CD1-CE2 4.07Å; I140-F190 HydrophobicContact CD1-CG 4.45Å
141T90.4Very high87.7Confident25 Ų2556.5 Ų56.515%0.15330%0.302CS..EExtended strand (participates in β ladder)trans-115.2176-177.967.90000111.3E143 D144 L145 I184T141-E143 PolarHBondContact O-N 2.88Å; T141-E143 PolarHBondContact OG1-N 2.65Å; T141-D144 PolarHBondContact N-OD2 3.02Å; T141-D144 WeakPolarHBondContact O-CB 3.44Å; T141-D144 PolarHBondContact O-N 2.74Å; T141-D144 PolarHBondContact OG1-N 3.22Å; T141-D144 PolarHBondContact OG1-OD2 2.89Å; T141-L145 WeakPolarHBondContact O-CG 3.37Å; T141-L145 PolarHBondContact O-N 3.19Å; T141-I184 HydrophobicContact CG2-CG1 4.48Å
142I87.4Confident87.5Confident24 Ų2460.3 Ų60.312%0.12332%0.319CS..Hα-helixtrans-59-36.3171.5-61.2172000111.1D144 L145 K146 L168 V169 L172 E183I142-D144 VanDerWaalsContact C-N 3.32Å; I142-D144 PolarHBondContact O-N 2.91Å; I142-L145 PolarHBondContact O-N 2.91Å; I142-K146 HydrophobicContact CG2-CD 4.28Å; I142-K146 HydrophobicContact CG2-CG 4.34Å; I142-K146 WeakPolarHBondContact O-CG 3.26Å; I142-K146 PolarHBondContact O-N 3.48Å; I142-L168 HydrophobicContact CG2-CB 4.34Å; I142-L168 HydrophobicContact CG2-CD1 3.98Å; I142-V169 HydrophobicContact CD1-CG2 3.48Å; I142-V169 VanDerWaalsContact CD1-CG2 3.48Å; I142-V169 HydrophobicContact CG1-CG2 4.28Å; I142-L172 HydrophobicContact CG1-CD1 3.61Å; I142-E183 HydrophobicContact CD1-CB 4.41Å; I142-E183 HydrophobicContact CD1-CG 4.48Å
143E88Confident87.4Confident149 Ų14966.7 Ų66.770%0.69635%0.353SS*.Hα-helixtrans-61.3-42.5179.3-173.9173.6177.700111.2T135 T141 L145T135-E143 HydrophobicContact CG2-CG 4.34Å; T141-E143 PolarHBondContact O-N 2.88Å; T141-E143 PolarHBondContact OG1-N 2.65Å; E143-L145 PolarHBondContact O-N 2.88Å
144D89.7Confident87.1Confident1 Ų169.3 Ų69.31%0.00537%0.365CS..Hα-helixtrans-60.7-44.9174.1-66.4-60.8000112.4M132 K134 T135 I140 T141 I142 G147 V148M132-D144 WeakPolarHBondContact O-CB 3.4Å; K134-D144 WeakPolarHBondContact CA-OD1 3.16Å; K134-D144 WeakPolarHBondContact CB-OD1 3.29Å; K134-D144 PolarHBondContact N-OD1 3.49Å; T135-D144 WeakPolarHBondContact CG2-OD1 3.23Å; T135-D144 PolarHBondContact N-OD1 2.9Å; T135-D144 PolarHBondContact OG1-OD1 3.18Å; I140-D144 HydrophobicContact CG2-CB 4.29Å; T141-D144 PolarHBondContact N-OD2 3.02Å; T141-D144 WeakPolarHBondContact O-CB 3.44Å; T141-D144 PolarHBondContact O-N 2.74Å; T141-D144 PolarHBondContact OG1-N 3.22Å; T141-D144 PolarHBondContact OG1-OD2 2.89Å; I142-D144 VanDerWaalsContact C-N 3.32Å; I142-D144 PolarHBondContact O-N 2.91Å; D144-G147 PolarHBondContact O-N 3.44Å; D144-V148 WeakPolarHBondContact O-CG2 3.2Å
145L86Confident87.2Confident1 Ų168.4 Ų68.41%0.00537%0.371CS..Hα-helixtrans-69.6-36.1-177.2-66.2-174.2000113.2M132 I140 T141 I142 E143 G147 V148 Y149 L168 F171 L172M132-L145 HydrophobicContact CE-CD2 3.5Å; I140-L145 HydrophobicContact CG2-CD2 4Å; I140-L145 HydrophobicContact CG2-CG 4.29Å; T141-L145 WeakPolarHBondContact O-CG 3.37Å; T141-L145 PolarHBondContact O-N 3.19Å; I142-L145 PolarHBondContact O-N 2.91Å; E143-L145 PolarHBondContact O-N 2.88Å; L145-G147 PolarHBondContact O-N 2.94Å; L145-V148 PolarHBondContact O-N 3.5Å; L145-Y149 HydrophobicContact CB-CD2 4.4Å; L145-Y149 HydrophobicContact CD2-CD2 3.82Å; L145-Y149 HydrophobicContact CD2-CE2 3.81Å; L145-Y149 PolarHBondContact O-N 2.94Å; L145-L168 HydrophobicContact CB-CD1 4.33Å; L145-L168 HydrophobicContact CB-CD2 4.04Å; L145-L168 HydrophobicContact CD1-CB 4.39Å; L145-L168 HydrophobicContact CD1-CD2 4.35Å; L145-F171 HydrophobicContact CD1-CD1 3.69Å; L145-F171 HydrophobicContact CD1-CE1 4.21Å; L145-F171 HydrophobicContact CD2-CD1 4.38Å; L145-F171 HydrophobicContact CD2-CE1 4.08Å; L145-L172 HydrophobicContact CD1-CD1 4.26Å; L145-L172 HydrophobicContact CD1-CD2 3.43Å; L145-L172 VanDerWaalsContact CD1-CD2 3.43Å; L145-L172 HydrophobicContact CD1-CG 3.61Å; L145-L172 HydrophobicContact CG-CD2 4.18Å
146K84.8Confident87.3Confident94 Ų9468.8 Ų68.841%0.40937%0.367SS..Hα-helixtrans-57-29.5176.2-77.7178.8175.3175.80112.4I142 D165 L168I142-K146 HydrophobicContact CG2-CD 4.28Å; I142-K146 HydrophobicContact CG2-CG 4.34Å; I142-K146 WeakPolarHBondContact O-CG 3.26Å; I142-K146 PolarHBondContact O-N 3.48Å; K146-D165 WeakPolarHBondContact CE-OD1 3.26Å; K146-D165 IonicContact NZ-OD1 2.7Å; K146-D165 PolarHBondContact NZ-OD1 3.46Å; K146-D165 IonicContact NZ-OD2 3.81Å; K146-D165 PolarHBondContact NZ-OD2 2.9Å; K146-L168 HydrophobicContact CG-CD1 3.54Å
147G75.4Confident87.3Confident65 Ų6563.9 Ų63.967%0.6735%0.346SS*.THydrogen-bonded Turntrans-80.8-10.6175.600000115.1D144 L145D144-G147 PolarHBondContact O-N 3.44Å; L145-G147 PolarHBondContact O-N 2.94Å
148V79.3Confident87.4Confident61 Ų6164.7 Ų64.737%0.3735%0.349SS..THydrogen-bonded Turntrans-119.5-39.9-170.3179.50000112.3K134 D144 L145K134-V148 HydrophobicContact CG-CG2 4.34Å; D144-V148 WeakPolarHBondContact O-CG2 3.2Å; L145-V148 PolarHBondContact O-N 3.5Å
149Y78.8Confident87.5Confident80 Ų8067.6 Ų67.631%0.31436%0.355SS..  trans-105.3142-176.6-74-81.5000111.8M132 L145 F171M132-Y149 HydrophobicContact CE-CE2 4.45Å; L145-Y149 HydrophobicContact CB-CD2 4.4Å; L145-Y149 HydrophobicContact CD2-CD2 3.82Å; L145-Y149 HydrophobicContact CD2-CE2 3.81Å; L145-Y149 PolarHBondContact O-N 2.94Å; Y149-F171 HydrophobicContact CE1-CZ 4.44Å; Y149-F171 AromaticContact CE2-CE1 3.83Å; Y149-F171 HydrophobicContact CE2-CE1 3.83Å; Y149-F171 AromaticContact CE2-CZ 3.97Å; Y149-F171 HydrophobicContact CE2-CZ 3.97Å; Y149-F171 AromaticContact CZ-CZ 3.69Å; Y149-F171 WeakPolarHBondContact OH-CZ 3.36Å
150N83.9Confident87.4Confident105 Ų10570 Ų7056%0.56138%0.382SS*.  trans-115.8109177.1-178.6-10.2000109.3K152N150-K152 VanDerWaalsContact C-N 3.28Å; N150-K152 PolarHBondContact O-N 3.04Å; N150-K152 WeakPolarHBondContact OD1-CB 3.42Å; N150-K152 WeakPolarHBondContact OD1-CG 3.36Å; N150-K152 PolarHBondContact OD1-N 3.08Å
151V87.1Confident87.6Confident9 Ų975.1 Ų75.16%0.05541%0.406CS..G310 helixtrans-78.4-6.2-177.5-60.20000114N153 H154 F157 E164 I167 L168V151-N153 PolarHBondContact O-N 2.95Å; V151-H154 VanDerWaalsContact O-CB 3.23Å; V151-H154 WeakPolarHBondContact O-CB 3.09Å; V151-H154 PolarHBondContact O-N 3.12Å; V151-F157 HydrophobicContact CB-CG 4.42Å; V151-F157 HydrophobicContact CG2-CD1 4.29Å; V151-F157 HydrophobicContact CG2-CD2 3.89Å; V151-F157 HydrophobicContact CG2-CE1 4.34Å; V151-F157 HydrophobicContact CG2-CE2 3.94Å; V151-F157 HydrophobicContact CG2-CG 4.07Å; V151-F157 HydrophobicContact CG2-CZ 4.17Å; V151-F157 WeakPolarHBondContact O-CB 3.31Å; V151-E164 HydrophobicContact CB-CG 4.45Å; V151-E164 HydrophobicContact CG1-CG 4.04Å; V151-E164 HydrophobicContact CG2-CB 3.75Å; V151-E164 HydrophobicContact CG2-CG 3.58Å; V151-I167 HydrophobicContact CB-CD1 4.44Å; V151-I167 HydrophobicContact CG1-CB 4.32Å; V151-I167 HydrophobicContact CG1-CG2 3.95Å; V151-L168 HydrophobicContact CG1-CD2 4.17Å; V151-L168 HydrophobicContact CG1-CG 4.39Å
152K88Confident87.6Confident145 Ų14576.1 Ų76.163%0.6341%0.408SS*.G310 helixtrans-57.1-26.3-173.3-71.2177.7-177-175.40114.4N150 F157 I158N150-K152 VanDerWaalsContact C-N 3.28Å; N150-K152 PolarHBondContact O-N 3.04Å; N150-K152 WeakPolarHBondContact OD1-CB 3.42Å; N150-K152 WeakPolarHBondContact OD1-CG 3.36Å; N150-K152 PolarHBondContact OD1-N 3.08Å; K152-F157 HydrophobicContact CG-CE1 4.45Å; K152-I158 WeakPolarHBondContact O-CG1 3.42Å
153N87.7Confident87.9Confident135 Ų13578.6 Ų78.672%0.72242%0.424SS*.G310 helixtrans-99.72.9179.1-62.2-33.8000113.1V151V151-N153 PolarHBondContact O-N 2.95Å
154H87.1Confident88Confident64 Ų6474.9 Ų74.930%0.29641%0.407SS..  trans-73.7126.6178.5-170-90.1000109.7V151 K156 F157 I158 I167V151-H154 VanDerWaalsContact O-CB 3.23Å; V151-H154 WeakPolarHBondContact O-CB 3.09Å; V151-H154 PolarHBondContact O-N 3.12Å; H154-K156 VanDerWaalsContact C-N 3.27Å; H154-K156 PolarHBondContact ND1-N 3.03Å; H154-K156 PolarHBondContact O-N 3.07Å; H154-F157 HydrophobicContact CB-CB 4.05Å; H154-F157 WeakPolarHBondContact O-CA 3.48Å; H154-F157 WeakPolarHBondContact O-CB 3.49Å; H154-F157 PolarHBondContact O-N 2.92Å; H154-I158 WeakPolarHBondContact O-CG1 3.34Å; H154-I158 PolarHBondContact O-N 3.26Å; H154-I167 HydrophobicContact CB-CD1 4.09Å; H154-I167 WeakPolarHBondContact ND1-CD1 3.19Å
155P92.1Very high88Confident93 Ų9378.1 Ų78.160%0.60442%0.424SS*.Hα-helixtrans-55-40.1-175-28.335000113.9F157 I158 N159P155-F157 VanDerWaalsContact C-N 3.29Å; P155-F157 PolarHBondContact O-N 2.55Å; P155-I158 PolarHBondContact O-N 2.83Å; P155-N159 VanDerWaalsContact O-CG 3.28Å; P155-N159 PolarHBondContact O-N 3.49Å; P155-N159 PolarHBondContact O-OD1 3.01Å
156K91.9Very high88.1Confident64 Ų6482.7 Ų82.728%0.27845%0.446SS..Hα-helixtrans-72.3-19.3177.9-57.8-172.6174.5-178.90114.2H154 N159 E161 K162H154-K156 VanDerWaalsContact C-N 3.27Å; H154-K156 PolarHBondContact ND1-N 3.03Å; H154-K156 PolarHBondContact O-N 3.07Å; K156-N159 WeakPolarHBondContact CA-OD1 3.11Å; K156-N159 PolarHBondContact O-OD1 2.96Å; K156-E161 HydrophobicContact CB-CB 4.27Å; K156-E161 WeakPolarHBondContact CD-OE1 3.46Å; K156-E161 WeakPolarHBondContact CE-OE1 3.46Å; K156-E161 IonicContact NZ-OE1 3.18Å; K156-E161 PolarHBondContact O-N 3.37Å; K156-E161 VanDerWaalsContact O-N 3.09Å; K156-K162 HydrophobicContact CB-CB 4.11Å; K156-K162 HydrophobicContact CB-CD 4.42Å; K156-K162 HydrophobicContact CB-CG 4.17Å; K156-K162 HydrophobicContact CD-CD 3.86Å; K156-K162 HydrophobicContact CD-CG 4.22Å; K156-K162 PolarHBondContact O-N 3.09Å
157F92.5Very high88.4Confident75 Ų7579 Ų7933%0.32943%0.43SS..Hα-helixtrans-80.5-44.6171.6-173.8-105.1000110V151 K152 H154 P155 N159 G160 E164 I167V151-F157 HydrophobicContact CB-CG 4.42Å; V151-F157 HydrophobicContact CG2-CD1 4.29Å; V151-F157 HydrophobicContact CG2-CD2 3.89Å; V151-F157 HydrophobicContact CG2-CE1 4.34Å; V151-F157 HydrophobicContact CG2-CE2 3.94Å; V151-F157 HydrophobicContact CG2-CG 4.07Å; V151-F157 HydrophobicContact CG2-CZ 4.17Å; V151-F157 WeakPolarHBondContact O-CB 3.31Å; K152-F157 HydrophobicContact CG-CE1 4.45Å; H154-F157 HydrophobicContact CB-CB 4.05Å; H154-F157 WeakPolarHBondContact O-CA 3.48Å; H154-F157 WeakPolarHBondContact O-CB 3.49Å; H154-F157 PolarHBondContact O-N 2.92Å; P155-F157 VanDerWaalsContact C-N 3.29Å; P155-F157 PolarHBondContact O-N 2.55Å; F157-N159 VanDerWaalsContact C-N 3.34Å; F157-N159 PolarHBondContact O-N 3.19Å; F157-G160 PolarHBondContact O-N 2.84Å; F157-G160 VanDerWaalsContact O-N 3.15Å; F157-E164 HydrophobicContact CE2-CB 4.19Å; F157-I167 HydrophobicContact CB-CD1 3.58Å; F157-I167 HydrophobicContact CD2-CD1 4.25Å; F157-I167 HydrophobicContact CG-CD1 4.37Å
158I92.3Very high89Confident116 Ų11676.1 Ų76.160%0.59540%0.399SS*.Hα-helixtrans-62.1-40.1-178.7-65165.4000111.6K152 H154 P155 G160K152-I158 WeakPolarHBondContact O-CG1 3.42Å; H154-I158 WeakPolarHBondContact O-CG1 3.34Å; H154-I158 PolarHBondContact O-N 3.26Å; P155-I158 PolarHBondContact O-N 2.83Å; I158-G160 VanDerWaalsContact C-N 3.3Å
159N92.6Very high89.3Confident99 Ų9974.4 Ų74.453%0.52939%0.389SS..THydrogen-bonded Turntrans-83.7-2179.472.9-1.1000113.8P155 K156 F157 E161P155-N159 VanDerWaalsContact O-CG 3.28Å; P155-N159 PolarHBondContact O-N 3.49Å; P155-N159 PolarHBondContact O-OD1 3.01Å; K156-N159 WeakPolarHBondContact CA-OD1 3.11Å; K156-N159 PolarHBondContact O-OD1 2.96Å; F157-N159 VanDerWaalsContact C-N 3.34Å; F157-N159 PolarHBondContact O-N 3.19Å; N159-E161 VanDerWaalsContact C-N 3.29Å; N159-E161 PolarHBondContact ND2-OE2 2.85Å; N159-E161 PolarHBondContact O-N 2.67Å; N159-E161 WeakPolarHBondContact OD1-CB 3.36Å; N159-E161 PolarHBondContact OD1-N 2.58Å
160G90.5Very high89.6Confident65 Ų6574.3 Ų74.367%0.6739%0.391SS*.THydrogen-bonded Turntrans73.411.3-178.600000115.5F157 I158F157-G160 PolarHBondContact O-N 2.84Å; F157-G160 VanDerWaalsContact O-N 3.15Å; I158-G160 VanDerWaalsContact C-N 3.3Å
161E93.8Very high89.6Confident108 Ų10872.2 Ų72.251%0.50538%0.377SS..SBendtrans-70.1-34.6178.1-176.4-169.8145.400112.2K156 N159K156-E161 HydrophobicContact CB-CB 4.27Å; K156-E161 WeakPolarHBondContact CD-OE1 3.46Å; K156-E161 WeakPolarHBondContact CE-OE1 3.46Å; K156-E161 IonicContact NZ-OE1 3.18Å; K156-E161 PolarHBondContact O-N 3.37Å; K156-E161 VanDerWaalsContact O-N 3.09Å; N159-E161 VanDerWaalsContact C-N 3.29Å; N159-E161 PolarHBondContact ND2-OE2 2.85Å; N159-E161 PolarHBondContact O-N 2.67Å; N159-E161 WeakPolarHBondContact OD1-CB 3.36Å; N159-E161 PolarHBondContact OD1-N 2.58Å
162K91.8Very high89.5Confident45 Ų4571.8 Ų71.820%0.19638%0.375CS..SBendtrans-135141.1179.2-67.4-166.9175.1-168.90112.1K156 E166 I167 E170K156-K162 HydrophobicContact CB-CB 4.11Å; K156-K162 HydrophobicContact CB-CD 4.42Å; K156-K162 HydrophobicContact CB-CG 4.17Å; K156-K162 HydrophobicContact CD-CD 3.86Å; K156-K162 HydrophobicContact CD-CG 4.22Å; K156-K162 PolarHBondContact O-N 3.09Å; K162-E166 WeakPolarHBondContact CA-OE2 3.15Å; K162-E166 HydrophobicContact CB-CB 4.2Å; K162-E166 HydrophobicContact CD-CB 4.38Å; K162-E166 HydrophobicContact CG-CB 4.48Å; K162-I167 HydrophobicContact CB-CD1 4.13Å; K162-I167 HydrophobicContact CB-CG1 3.79Å; K162-I167 HydrophobicContact CD-CG1 4.27Å; K162-E170 IonicContact NZ-OE1 3.69Å; K162-E170 PolarHBondContact NZ-OE1 3.37Å; K162-E170 IonicContact NZ-OE2 3.69Å; K162-E170 PolarHBondContact NZ-OE2 3.32Å
163T92.4Very high89.1Confident76 Ų7670.2 Ų70.247%0.46637%0.368SS..  trans-70.216616962.30000111.5D165 E166 I167T163-D165 VanDerWaalsContact C-N 3.3Å; T163-D165 PolarHBondContact O-N 3.36Å; T163-E166 WeakPolarHBondContact CB-OE2 3.49Å; T163-E166 PolarHBondContact N-OE2 3.42Å; T163-E166 PolarHBondContact O-N 3.44Å; T163-E166 VanDerWaalsContact OG1-CG 3.26Å; T163-E166 WeakPolarHBondContact OG1-CG 3.46Å; T163-E166 PolarHBondContact OG1-N 2.95Å; T163-E166 PolarHBondContact OG1-OE2 3.2Å; T163-I167 WeakPolarHBondContact O-CD1 3.31Å; T163-I167 WeakPolarHBondContact O-CG1 3.48Å; T163-I167 PolarHBondContact O-N 2.96Å
164E90.6Very high88.7Confident71 Ų7167.2 Ų67.233%0.33236%0.355SS..Hα-helixtrans-55.5-46.6173176.8165.2-147.100111.4V151 F157 E166 I167 L168V151-E164 HydrophobicContact CB-CG 4.45Å; V151-E164 HydrophobicContact CG1-CG 4.04Å; V151-E164 HydrophobicContact CG2-CB 3.75Å; V151-E164 HydrophobicContact CG2-CG 3.58Å; F157-E164 HydrophobicContact CE2-CB 4.19Å; E164-E166 PolarHBondContact O-N 3.39Å; E164-I167 PolarHBondContact O-N 2.98Å; E164-L168 HydrophobicContact CG-CD1 4.03Å; E164-L168 HydrophobicContact CG-CG 4.47Å; E164-L168 WeakPolarHBondContact O-CG 3.41Å; E164-L168 PolarHBondContact O-N 3.17Å
165D88.5Confident88Confident70 Ų7064.7 Ų64.737%0.37434%0.343SS..Hα-helixtrans-64.4-42.7-177.7-68.9-4.4000111.7K146 T163 I167 L168 V169K146-D165 WeakPolarHBondContact CE-OD1 3.26Å; K146-D165 IonicContact NZ-OD1 2.7Å; K146-D165 PolarHBondContact NZ-OD1 3.46Å; K146-D165 IonicContact NZ-OD2 3.81Å; K146-D165 PolarHBondContact NZ-OD2 2.9Å; T163-D165 VanDerWaalsContact C-N 3.3Å; T163-D165 PolarHBondContact O-N 3.36Å; D165-I167 VanDerWaalsContact C-N 3.3Å; D165-I167 PolarHBondContact O-N 3.5Å; D165-L168 PolarHBondContact O-N 2.65Å; D165-V169 WeakPolarHBondContact O-CB 3.32Å; D165-V169 VanDerWaalsContact O-CG2 3.26Å; D165-V169 WeakPolarHBondContact O-CG2 3.28Å; D165-V169 PolarHBondContact O-N 2.93Å
166E89.8Confident87Confident97 Ų9761.1 Ų61.145%0.45332%0.318SS..Hα-helixtrans-63-34.9177-72.7166.8133.800113.1K162 T163 E164 E170K162-E166 WeakPolarHBondContact CA-OE2 3.15Å; K162-E166 HydrophobicContact CB-CB 4.2Å; K162-E166 HydrophobicContact CD-CB 4.38Å; K162-E166 HydrophobicContact CG-CB 4.48Å; T163-E166 WeakPolarHBondContact CB-OE2 3.49Å; T163-E166 PolarHBondContact N-OE2 3.42Å; T163-E166 PolarHBondContact O-N 3.44Å; T163-E166 VanDerWaalsContact OG1-CG 3.26Å; T163-E166 WeakPolarHBondContact OG1-CG 3.46Å; T163-E166 PolarHBondContact OG1-N 2.95Å; T163-E166 PolarHBondContact OG1-OE2 3.2Å; E164-E166 PolarHBondContact O-N 3.39Å; E166-E170 WeakPolarHBondContact O-CB 3.14Å; E166-E170 PolarHBondContact O-N 3.14Å
167I89.5Confident85.7Confident16 Ų1662 Ų628%0.08233%0.33CS..Hα-helixtrans-70.4-42.7176.3-68.4163.9000110.3V151 H154 F157 K162 T163 E164 D165 E170 F171V151-I167 HydrophobicContact CB-CD1 4.44Å; V151-I167 HydrophobicContact CG1-CB 4.32Å; V151-I167 HydrophobicContact CG1-CG2 3.95Å; H154-I167 HydrophobicContact CB-CD1 4.09Å; H154-I167 WeakPolarHBondContact ND1-CD1 3.19Å; F157-I167 HydrophobicContact CB-CD1 3.58Å; F157-I167 HydrophobicContact CD2-CD1 4.25Å; F157-I167 HydrophobicContact CG-CD1 4.37Å; K162-I167 HydrophobicContact CB-CD1 4.13Å; K162-I167 HydrophobicContact CB-CG1 3.79Å; K162-I167 HydrophobicContact CD-CG1 4.27Å; T163-I167 WeakPolarHBondContact O-CD1 3.31Å; T163-I167 WeakPolarHBondContact O-CG1 3.48Å; T163-I167 PolarHBondContact O-N 2.96Å; E164-I167 PolarHBondContact O-N 2.98Å; D165-I167 VanDerWaalsContact C-N 3.3Å; D165-I167 PolarHBondContact O-N 3.5Å; I167-E170 PolarHBondContact O-N 3.23Å; I167-F171 PolarHBondContact O-N 2.89Å
168L88.6Confident84.1Confident4 Ų467.6 Ų67.62%0.02136%0.357CS..Hα-helixtrans-67.5-39177.9-65.6179.8000111.6I142 L145 K146 V151 E164 D165 F171 L172I142-L168 HydrophobicContact CG2-CB 4.34Å; I142-L168 HydrophobicContact CG2-CD1 3.98Å; L145-L168 HydrophobicContact CB-CD1 4.33Å; L145-L168 HydrophobicContact CB-CD2 4.04Å; L145-L168 HydrophobicContact CD1-CB 4.39Å; L145-L168 HydrophobicContact CD1-CD2 4.35Å; K146-L168 HydrophobicContact CG-CD1 3.54Å; V151-L168 HydrophobicContact CG1-CD2 4.17Å; V151-L168 HydrophobicContact CG1-CG 4.39Å; E164-L168 HydrophobicContact CG-CD1 4.03Å; E164-L168 HydrophobicContact CG-CG 4.47Å; E164-L168 WeakPolarHBondContact O-CG 3.41Å; E164-L168 PolarHBondContact O-N 3.17Å; D165-L168 PolarHBondContact O-N 2.65Å; L168-F171 WeakPolarHBondContact O-CB 3.4Å; L168-F171 PolarHBondContact O-N 3.48Å; L168-L172 WeakPolarHBondContact O-CG 3.49Å; L168-L172 PolarHBondContact O-N 3.21Å
169V86.2Confident82.4Confident25 Ų2569.7 Ų69.715%0.15237%0.37CS..Hα-helixtrans-62.6-45.1173169.10000111.2I142 D165 F171 L172 K173 E183I142-V169 HydrophobicContact CD1-CG2 3.48Å; I142-V169 VanDerWaalsContact CD1-CG2 3.48Å; I142-V169 HydrophobicContact CG1-CG2 4.28Å; D165-V169 WeakPolarHBondContact O-CB 3.32Å; D165-V169 VanDerWaalsContact O-CG2 3.26Å; D165-V169 WeakPolarHBondContact O-CG2 3.28Å; D165-V169 PolarHBondContact O-N 2.93Å; V169-F171 PolarHBondContact O-N 3Å; V169-L172 PolarHBondContact O-N 2.81Å; V169-K173 HydrophobicContact CG1-CD 4.22Å; V169-K173 VanDerWaalsContact O-CG 3.31Å; V169-K173 WeakPolarHBondContact O-CG 3.12Å; V169-K173 PolarHBondContact O-N 3.49Å; V169-E183 HydrophobicContact CG2-CG 4.46Å
170E84.3Confident80.9Confident79 Ų7969.1 Ų69.137%0.36937%0.367SS..Hα-helixtrans-60.1-38.2175.7-176.9172.9-144.400111.6K162 E166 I167 T174K162-E170 IonicContact NZ-OE1 3.69Å; K162-E170 PolarHBondContact NZ-OE1 3.37Å; K162-E170 IonicContact NZ-OE2 3.69Å; K162-E170 PolarHBondContact NZ-OE2 3.32Å; E166-E170 WeakPolarHBondContact O-CB 3.14Å; E166-E170 PolarHBondContact O-N 3.14Å; I167-E170 PolarHBondContact O-N 3.23Å; E170-T174 WeakPolarHBondContact O-CG2 3.24Å
171F84.7Confident79.8Confident60 Ų6068.6 Ų68.626%0.26336%0.356SS..Hα-helixtrans-65.2-45.8172.9178.8-98.8000112.3M132 L145 Y149 I167 L168 V169 K173 T174 F175M132-F171 HydrophobicContact CE-CE1 4.31Å; L145-F171 HydrophobicContact CD1-CD1 3.69Å; L145-F171 HydrophobicContact CD1-CE1 4.21Å; L145-F171 HydrophobicContact CD2-CD1 4.38Å; L145-F171 HydrophobicContact CD2-CE1 4.08Å; Y149-F171 HydrophobicContact CE1-CZ 4.44Å; Y149-F171 AromaticContact CE2-CE1 3.83Å; Y149-F171 HydrophobicContact CE2-CE1 3.83Å; Y149-F171 AromaticContact CE2-CZ 3.97Å; Y149-F171 HydrophobicContact CE2-CZ 3.97Å; Y149-F171 AromaticContact CZ-CZ 3.69Å; Y149-F171 WeakPolarHBondContact OH-CZ 3.36Å; I167-F171 PolarHBondContact O-N 2.89Å; L168-F171 WeakPolarHBondContact O-CB 3.4Å; L168-F171 PolarHBondContact O-N 3.48Å; V169-F171 PolarHBondContact O-N 3Å; F171-K173 VanDerWaalsContact C-N 3.29Å; F171-K173 PolarHBondContact O-N 3.16Å; F171-T174 WeakPolarHBondContact O-CB 3.43Å; F171-T174 PolarHBondContact O-N 2.82Å; F171-T174 VanDerWaalsContact O-N 3.11Å; F171-T174 PolarHBondContact O-OG1 2.9Å; F171-F175 HydrophobicContact CD1-CE2 4.17Å; F171-F175 AromaticContact CE1-CE2 3.6Å; F171-F175 HydrophobicContact CE1-CE2 3.6Å; F171-F175 HydrophobicContact CE1-CZ 4.23Å; F171-F175 HydrophobicContact CE2-CE2 4.17Å; F171-F175 AromaticContact CZ-CE2 3.6Å; F171-F175 HydrophobicContact CZ-CE2 3.6Å; F171-F175 AromaticContact CZ-CZ 3.88Å; F171-F175 HydrophobicContact CZ-CZ 3.88Å
172L83.8Confident79.1Confident1 Ų166.7 Ų66.71%0.00535%0.349CS..Hα-helixtrans-58.6-42.4178.1-72.3173.4000111.9I140 I142 L145 L168 V169 T174 F175 I185I140-L172 HydrophobicContact CG2-CD2 4.32Å; I142-L172 HydrophobicContact CG1-CD1 3.61Å; L145-L172 HydrophobicContact CD1-CD1 4.26Å; L145-L172 HydrophobicContact CD1-CD2 3.43Å; L145-L172 VanDerWaalsContact CD1-CD2 3.43Å; L145-L172 HydrophobicContact CD1-CG 3.61Å; L145-L172 HydrophobicContact CG-CD2 4.18Å; L168-L172 WeakPolarHBondContact O-CG 3.49Å; L168-L172 PolarHBondContact O-N 3.21Å; V169-L172 PolarHBondContact O-N 2.81Å; L172-T174 PolarHBondContact O-N 3.18Å; L172-F175 PolarHBondContact O-N 2.97Å; L172-I185 HydrophobicContact CB-CD1 4.27Å; L172-I185 HydrophobicContact CD2-CD1 3.3Å; L172-I185 HydrophobicContact CD2-CG1 3.82Å; L172-I185 HydrophobicContact CG-CD1 4.38Å
173K81.3Confident78.6Confident112 Ų11270.2 Ų70.249%0.48737%0.366SS..Hα-helixtrans-57.3-22.9177.8-74.4177.5178.3179.60113.9V169 F171 F175 Q176 A181V169-K173 HydrophobicContact CG1-CD 4.22Å; V169-K173 VanDerWaalsContact O-CG 3.31Å; V169-K173 WeakPolarHBondContact O-CG 3.12Å; V169-K173 PolarHBondContact O-N 3.49Å; F171-K173 VanDerWaalsContact C-N 3.29Å; F171-K173 PolarHBondContact O-N 3.16Å; K173-F175 PolarHBondContact O-N 2.86Å; K173-Q176 PolarHBondContact O-N 3.46Å; K173-A181 HydrophobicContact CG-CB 4.12Å
174T77.7Confident78.4Confident72 Ų7270.2 Ų70.244%0.44236%0.363SS..THydrogen-bonded Turntrans-67.7-19.7177.268.30000113.7E170 F171 L172 Y193E170-T174 WeakPolarHBondContact O-CG2 3.24Å; F171-T174 WeakPolarHBondContact O-CB 3.43Å; F171-T174 PolarHBondContact O-N 2.82Å; F171-T174 VanDerWaalsContact O-N 3.11Å; F171-T174 PolarHBondContact O-OG1 2.9Å; L172-T174 PolarHBondContact O-N 3.18Å; T174-Y193 WeakPolarHBondContact O-CD2 3.48Å; T174-Y193 WeakPolarHBondContact O-CE2 3.25Å
175F73.9Confident78.2Confident11 Ų1166.8 Ų66.85%0.04835%0.347CS..THydrogen-bonded Turntrans-94.3-11.6180-64.8-86.6000113.6F171 L172 K173 I185 F190 Y193 Y194F171-F175 HydrophobicContact CD1-CE2 4.17Å; F171-F175 AromaticContact CE1-CE2 3.6Å; F171-F175 HydrophobicContact CE1-CE2 3.6Å; F171-F175 HydrophobicContact CE1-CZ 4.23Å; F171-F175 HydrophobicContact CE2-CE2 4.17Å; F171-F175 AromaticContact CZ-CE2 3.6Å; F171-F175 HydrophobicContact CZ-CE2 3.6Å; F171-F175 AromaticContact CZ-CZ 3.88Å; F171-F175 HydrophobicContact CZ-CZ 3.88Å; L172-F175 PolarHBondContact O-N 2.97Å; K173-F175 PolarHBondContact O-N 2.86Å; F175-I185 HydrophobicContact CB-CD1 3.6Å; F175-I185 HydrophobicContact CB-CG1 4.05Å; F175-I185 HydrophobicContact CB-CG2 4.3Å; F175-I185 HydrophobicContact CD2-CD1 3.41Å; F175-I185 VanDerWaalsContact CD2-CD1 3.41Å; F175-I185 HydrophobicContact CE2-CD1 4.26Å; F175-I185 HydrophobicContact CG-CD1 3.63Å; F175-F190 HydrophobicContact CD1-CD2 4.31Å; F175-F190 HydrophobicContact CE1-CD2 4.36Å; F175-F190 HydrophobicContact CE1-CE2 4.25Å; F175-Y193 AromaticContact CD1-CD1 3.6Å; F175-Y193 HydrophobicContact CD1-CD1 3.6Å; F175-Y193 HydrophobicContact CD1-CD2 4.44Å; F175-Y193 HydrophobicContact CD1-CE1 4.05Å; F175-Y193 AromaticContact CD1-CG 3.82Å; F175-Y193 HydrophobicContact CD1-CG 3.82Å; F175-Y193 AromaticContact CE1-CD1 3.81Å; F175-Y193 HydrophobicContact CE1-CD1 3.81Å; F175-Y193 AromaticContact CE1-CE1 3.91Å; F175-Y193 HydrophobicContact CE1-CE1 3.91Å; F175-Y193 HydrophobicContact CE1-CG 4.48Å; F175-Y194 HydrophobicContact CD1-CE2 4.45Å; F175-Y194 AromaticContact CE1-CE2 3.76Å; F175-Y194 HydrophobicContact CE1-CE2 3.76Å
176Q69.6Low78.3Confident18 Ų1866.2 Ų66.28%0.08435%0.346CS..SBendtrans-103150.7-171.8-73167.2-3200111.9K173 A181 D182 I184K173-Q176 PolarHBondContact O-N 3.46Å; Q176-A181 VanDerWaalsContact OE1-CA 3.29Å; Q176-D182 PolarHBondContact NE2-O 3Å; Q176-D182 PolarHBondContact NE2-OD1 2.7Å; Q176-D182 PolarHBondContact OE1-O 3.5Å; Q176-I184 PolarHBondContact NE2-O 2.69Å
177P64.8Low78.2Confident81 Ų8166.1 Ų66.153%0.52634%0.341SS..  trans-60.1145168-15.328.6000110.4N179 N180P177-N179 PolarHBondContact O-N 3.33Å; P177-N180 PolarHBondContact O-N 2.88Å
178Q59.5Low78Confident193 Ų19371 Ų7190%0.90236%0.364SS*.THydrogen-bonded Turntrans-54.1-24.1-176.8-66.6-175.313.500114.1
179N57.5Low77.7Confident161 Ų16171.9 Ų71.986%0.86137%0.368SS*.THydrogen-bonded Turntrans-95.3-2.7-175.6-62.2-22.1000114.4P177P177-N179 PolarHBondContact O-N 3.33Å
180N60.9Low77.8Confident87 Ų8770.7 Ų70.747%0.46536%0.36SS..  trans-142.362.9-178.5-165.648.6000111.9P177 D182P177-N180 PolarHBondContact O-N 2.88Å; N180-D182 PolarHBondContact O-N 3.45Å
181A66.8Low78.1Confident54 Ų5467 Ų6745%0.44634%0.343SS..  trans-92.780.4178.900000111.3K173 Q176K173-A181 HydrophobicContact CG-CB 4.12Å; Q176-A181 VanDerWaalsContact OE1-CA 3.29Å
182D79Confident77.9Confident68 Ų6866.9 Ų66.936%0.36435%0.346SS..  trans-89.1179.4165.568.623000110.7Q176 N180 I184Q176-D182 PolarHBondContact NE2-O 3Å; Q176-D182 PolarHBondContact NE2-OD1 2.7Å; Q176-D182 PolarHBondContact OE1-O 3.5Å; N180-D182 PolarHBondContact O-N 3.45Å; D182-I184 PolarHBondContact O-N 3.1Å; D182-I184 PolarHBondContact OD1-N 3.16Å
183E82Confident77.9Confident118 Ų11871.6 Ų71.655%0.55136%0.364SS*.SBendtrans-89.818.6-178.6-62.6-179.9171.100112.9I142 V169I142-E183 HydrophobicContact CD1-CB 4.41Å; I142-E183 HydrophobicContact CD1-CG 4.48Å; V169-E183 HydrophobicContact CG2-CG 4.46Å
184I86.8Confident78.2Confident76 Ų7667 Ų6739%0.3934%0.344SS..EExtended strand (participates in β ladder)trans-131.8121.2-173.2-56.7-179.8000109.5A139 T141 Q176 D182A139-I184 HydrophobicContact CB-CG2 3.44Å; A139-I184 VanDerWaalsContact CB-CG2 3.44Å; T141-I184 HydrophobicContact CG2-CG1 4.48Å; Q176-I184 PolarHBondContact NE2-O 2.69Å; D182-I184 PolarHBondContact O-N 3.1Å; D182-I184 PolarHBondContact OD1-N 3.16Å
185I88.1Confident78.5Confident0 Ų063.6 Ų63.60%032%0.323CS..EExtended strand (participates in β ladder)trans-93.8111.5169.6-60.4166000108.5A139 I140 L172 F175 E189 F190A139-I185 WeakPolarHBondContact CA-O 3.47Å; I140-I185 HydrophobicContact CB-CB 4.2Å; I140-I185 PolarHBondContact N-O 3.4Å; I140-I185 PolarHBondContact O-N 3.07Å; L172-I185 HydrophobicContact CB-CD1 4.27Å; L172-I185 HydrophobicContact CD2-CD1 3.3Å; L172-I185 HydrophobicContact CD2-CG1 3.82Å; L172-I185 HydrophobicContact CG-CD1 4.38Å; F175-I185 HydrophobicContact CB-CD1 3.6Å; F175-I185 HydrophobicContact CB-CG1 4.05Å; F175-I185 HydrophobicContact CB-CG2 4.3Å; F175-I185 HydrophobicContact CD2-CD1 3.41Å; F175-I185 VanDerWaalsContact CD2-CD1 3.41Å; F175-I185 HydrophobicContact CE2-CD1 4.26Å; F175-I185 HydrophobicContact CG-CD1 3.63Å; I185-E189 HydrophobicContact CG2-CB 4.17Å; I185-F190 HydrophobicContact CG2-CB 3.87Å; I185-F190 HydrophobicContact CG2-CD2 4.5Å
186T88.9Confident78.6Confident57 Ų5764.4 Ų64.435%0.3533%0.334SS..EExtended strand (participates in β ladder)trans-68.4157.5171.564.90000111E188 E189 F190T186-E188 PolarHBondContact O-N 3.3Å; T186-E188 VanDerWaalsContact O-N 3.11Å; T186-E189 WeakPolarHBondContact CB-OE2 3.45Å; T186-E189 WeakPolarHBondContact CG2-OE2 3.35Å; T186-E189 PolarHBondContact N-OE2 3.21Å; T186-E189 PolarHBondContact O-N 3.4Å; T186-E189 VanDerWaalsContact OG1-CD 3.32Å; T186-E189 WeakPolarHBondContact OG1-CG 3.49Å; T186-E189 PolarHBondContact OG1-N 3.26Å; T186-E189 VanDerWaalsContact OG1-N 3.16Å; T186-E189 PolarHBondContact OG1-OE2 3.47Å; T186-F190 PolarHBondContact O-N 2.92Å
187R89.1Confident79.3Confident96 Ų9666.2 Ų66.236%0.36234%0.344SS..Hα-helixtrans-54.2-31170.4-168.6-179.4-174.7-73.7-0.8112.3N126 F129 F191N126-R187 PolarHBondContact OD1-NH2 3.07Å; F129-R187 HydrophobicContact CD1-CG 4.31Å; F129-R187 HydrophobicContact CD2-CG 4.4Å; F129-R187 HydrophobicContact CE1-CB 4.13Å; F129-R187 HydrophobicContact CE1-CG 4.19Å; F129-R187 VanDerWaalsContact CE2-CA 3.45Å; F129-R187 HydrophobicContact CE2-CB 3.96Å; F129-R187 HydrophobicContact CE2-CG 4.28Å; F129-R187 HydrophobicContact CG-CG 4.42Å; F129-R187 HydrophobicContact CZ-CB 3.73Å; F129-R187 HydrophobicContact CZ-CG 4.18Å; R187-F191 HydrophobicContact CG-CD2 3.97Å; R187-F191 HydrophobicContact CG-CE2 3.81Å; R187-F191 VanDerWaalsContact NH2-CZ 3.33Å; R187-F191 WeakPolarHBondContact O-CD2 3.03Å; R187-F191 PolarHBondContact O-N 3.22Å
188E84.3Confident80.3Confident117 Ų11762.4 Ų62.455%0.54732%0.319SS..Hα-helixtrans-71.6-48.2179.5-179.5165.5178.700112.4F113 T186 F190 F191 N192F113-E188 HydrophobicContact CE1-CB 4.35Å; F113-E188 HydrophobicContact CE1-CG 4.13Å; T186-E188 PolarHBondContact O-N 3.3Å; T186-E188 VanDerWaalsContact O-N 3.11Å; E188-F190 PolarHBondContact O-N 2.89Å; E188-F191 PolarHBondContact O-N 3.27Å; E188-N192 WeakPolarHBondContact CG-ND2 3.45Å; E188-N192 WeakPolarHBondContact O-CB 3.33Å; E188-N192 PolarHBondContact O-N 3.46Å; E188-N192 PolarHBondContact O-ND2 3.43Å
189E83.6Confident81.1Confident23 Ų2353.2 Ų53.211%0.10728%0.277CS..Hα-helixtrans-61-44.4177.5-71.4159.514200111.7I185 T186 F191 N192 Y193I185-E189 HydrophobicContact CG2-CB 4.17Å; T186-E189 WeakPolarHBondContact CB-OE2 3.45Å; T186-E189 WeakPolarHBondContact CG2-OE2 3.35Å; T186-E189 PolarHBondContact N-OE2 3.21Å; T186-E189 PolarHBondContact O-N 3.4Å; T186-E189 VanDerWaalsContact OG1-CD 3.32Å; T186-E189 WeakPolarHBondContact OG1-CG 3.49Å; T186-E189 PolarHBondContact OG1-N 3.26Å; T186-E189 VanDerWaalsContact OG1-N 3.16Å; T186-E189 PolarHBondContact OG1-OE2 3.47Å; E189-F191 VanDerWaalsContact C-N 3.32Å; E189-F191 PolarHBondContact O-N 2.89Å; E189-N192 PolarHBondContact O-N 3.1Å; E189-Y193 WeakPolarHBondContact O-CB 3.44Å; E189-Y193 PolarHBondContact O-N 3.44Å
190F88Confident81.9Confident0 Ų048 Ų480%025%0.253CS..Hα-helixtrans-56.5-46.9176.8-173.8-91.3000111.9L125 A128 F129 M132 I140 F175 I185 T186 E188 Y194 F215L125-F190 HydrophobicContact CD2-CE1 4.21Å; A128-F190 HydrophobicContact CB-CE1 4.3Å; A128-F190 HydrophobicContact CB-CZ 4.02Å; F129-F190 HydrophobicContact CB-CD1 4.16Å; F129-F190 HydrophobicContact CB-CE1 4.1Å; F129-F190 HydrophobicContact CD2-CB 3.83Å; F129-F190 AromaticContact CD2-CD1 3.88Å; F129-F190 HydrophobicContact CD2-CD1 3.88Å; F129-F190 HydrophobicContact CD2-CD2 4.24Å; F129-F190 AromaticContact CD2-CG 3.72Å; F129-F190 HydrophobicContact CD2-CG 3.72Å; F129-F190 HydrophobicContact CE2-CB 4.11Å; F129-F190 HydrophobicContact CE2-CG 4.43Å; M132-F190 HydrophobicContact SD-CD2 4.47Å; M132-F190 HydrophobicContact SD-CE2 3.58Å; M132-F190 VanDerWaalsContact SD-CE2 3.58Å; M132-F190 HydrophobicContact SD-CZ 4.2Å; I140-F190 HydrophobicContact CD1-CD2 3.75Å; I140-F190 HydrophobicContact CD1-CE2 4.07Å; I140-F190 HydrophobicContact CD1-CG 4.45Å; F175-F190 HydrophobicContact CD1-CD2 4.31Å; F175-F190 HydrophobicContact CE1-CD2 4.36Å; F175-F190 HydrophobicContact CE1-CE2 4.25Å; I185-F190 HydrophobicContact CG2-CB 3.87Å; I185-F190 HydrophobicContact CG2-CD2 4.5Å; T186-F190 PolarHBondContact O-N 2.92Å; E188-F190 PolarHBondContact O-N 2.89Å; F190-Y194 HydrophobicContact CD1-CD2 4.03Å; F190-Y194 HydrophobicContact CD1-CE2 4.48Å; F190-Y194 HydrophobicContact CD2-CD2 4.46Å; F190-Y194 HydrophobicContact CD2-CE2 4.27Å; F190-Y194 AromaticContact CE1-CD2 3.69Å; F190-Y194 HydrophobicContact CE1-CD2 3.69Å; F190-Y194 AromaticContact CE1-CE2 3.89Å; F190-Y194 HydrophobicContact CE1-CE2 3.89Å; F190-Y194 HydrophobicContact CE2-CD2 4.15Å; F190-Y194 AromaticContact CE2-CE2 3.65Å; F190-Y194 HydrophobicContact CE2-CE2 3.65Å; F190-Y194 HydrophobicContact CG-CD2 4.41Å; F190-Y194 AromaticContact CZ-CD2 3.76Å; F190-Y194 HydrophobicContact CZ-CD2 3.76Å; F190-Y194 AromaticContact CZ-CE2 3.44Å; F190-Y194 HydrophobicContact CZ-CE2 3.44Å; F190-Y194 VanDerWaalsContact CZ-CE2 3.44Å; F190-Y194 WeakPolarHBondContact O-CD2 2.94Å; F190-Y194 PolarHBondContact O-N 3.43Å; F190-F215 HydrophobicContact CE2-CE1 4.43Å; F190-F215 AromaticContact CE2-CZ 3.91Å; F190-F215 HydrophobicContact CE2-CZ 3.91Å; F190-F215 HydrophobicContact CZ-CE1 4.41Å; F190-F215 HydrophobicContact CZ-CE2 4.09Å; F190-F215 AromaticContact CZ-CZ 3.71Å; F190-F215 HydrophobicContact CZ-CZ 3.71Å
191F89.1Confident83Confident2 Ų244.4 Ų44.41%0.00923%0.234CC..Hα-helixtrans-72.6-34.1-179.3-83.4-114.2000112.1F113 M117 L122 L125 N126 F129 R187 E188 E189 S195F113-F191 HydrophobicContact CD1-CB 3.58Å; F113-F191 HydrophobicContact CD2-CB 3.83Å; F113-F191 AromaticContact CD2-CD1 3.83Å; F113-F191 HydrophobicContact CD2-CD1 3.83Å; F113-F191 HydrophobicContact CD2-CG 4.22Å; F113-F191 HydrophobicContact CE1-CB 3.5Å; F113-F191 VanDerWaalsContact CE1-CB 3.5Å; F113-F191 HydrophobicContact CE1-CG 4.22Å; F113-F191 HydrophobicContact CE2-CB 3.71Å; F113-F191 AromaticContact CE2-CD1 3.4Å; F113-F191 HydrophobicContact CE2-CD1 3.4Å; F113-F191 HydrophobicContact CE2-CE1 4.22Å; F113-F191 AromaticContact CE2-CG 3.75Å; F113-F191 HydrophobicContact CE2-CG 3.75Å; F113-F191 HydrophobicContact CG-CB 3.76Å; F113-F191 HydrophobicContact CZ-CB 3.54Å; F113-F191 AromaticContact CZ-CD1 3.88Å; F113-F191 HydrophobicContact CZ-CD1 3.88Å; F113-F191 AromaticContact CZ-CG 3.74Å; F113-F191 HydrophobicContact CZ-CG 3.74Å; M117-F191 HydrophobicContact CE-CD1 4.44Å; M117-F191 WeakPolarHBondContact CE-O 2.9Å; L122-F191 HydrophobicContact CD2-CD1 3.78Å; L122-F191 HydrophobicContact CD2-CE1 3.86Å; L125-F191 HydrophobicContact CB-CD1 4.42Å; L125-F191 HydrophobicContact CB-CE1 3.96Å; L125-F191 HydrophobicContact CB-CZ 4.03Å; L125-F191 HydrophobicContact CD1-CD1 4.4Å; N126-F191 HydrophobicContact CB-CZ 4.13Å; F129-F191 HydrophobicContact CB-CE2 4.2Å; F129-F191 HydrophobicContact CG-CE2 4.45Å; R187-F191 HydrophobicContact CG-CD2 3.97Å; R187-F191 HydrophobicContact CG-CE2 3.81Å; R187-F191 VanDerWaalsContact NH2-CZ 3.33Å; R187-F191 WeakPolarHBondContact O-CD2 3.03Å; R187-F191 PolarHBondContact O-N 3.22Å; E188-F191 PolarHBondContact O-N 3.27Å; E189-F191 VanDerWaalsContact C-N 3.32Å; E189-F191 PolarHBondContact O-N 2.89Å; F191-S195 VanDerWaalsContact O-CB 3.3Å; F191-S195 WeakPolarHBondContact O-CB 3.3Å; F191-S195 PolarHBondContact O-N 3.46Å
192N80.8Confident83.6Confident58 Ų5846.7 Ų46.731%0.3124%0.238SC..Hα-helixtrans-65.7-46.2175.7-78.9-24.8000111.6F113 E188 E189 Y194 S195 G196F113-N192 WeakPolarHBondContact CD1-OD1 3.41Å; E188-N192 WeakPolarHBondContact CG-ND2 3.45Å; E188-N192 WeakPolarHBondContact O-CB 3.33Å; E188-N192 PolarHBondContact O-N 3.46Å; E188-N192 PolarHBondContact O-ND2 3.43Å; E189-N192 PolarHBondContact O-N 3.1Å; N192-Y194 PolarHBondContact O-N 3.03Å; N192-S195 WeakPolarHBondContact O-CA 3.49Å; N192-S195 VanDerWaalsContact O-CB 3.24Å; N192-S195 WeakPolarHBondContact O-CB 3.35Å; N192-S195 PolarHBondContact O-N 3.03Å; N192-G196 PolarHBondContact O-N 3.17Å; N192-G196 VanDerWaalsContact O-N 3.16Å
193Y83.7Confident83.9Confident99 Ų9948 Ų4839%0.38825%0.245SC..Hα-helixtrans-54.8-52.4174.3174.5-93.8000111.5T174 F175 E189 S195 G196 L197T174-Y193 WeakPolarHBondContact O-CD2 3.48Å; T174-Y193 WeakPolarHBondContact O-CE2 3.25Å; F175-Y193 AromaticContact CD1-CD1 3.6Å; F175-Y193 HydrophobicContact CD1-CD1 3.6Å; F175-Y193 HydrophobicContact CD1-CD2 4.44Å; F175-Y193 HydrophobicContact CD1-CE1 4.05Å; F175-Y193 AromaticContact CD1-CG 3.82Å; F175-Y193 HydrophobicContact CD1-CG 3.82Å; F175-Y193 AromaticContact CE1-CD1 3.81Å; F175-Y193 HydrophobicContact CE1-CD1 3.81Å; F175-Y193 AromaticContact CE1-CE1 3.91Å; F175-Y193 HydrophobicContact CE1-CE1 3.91Å; F175-Y193 HydrophobicContact CE1-CG 4.48Å; E189-Y193 WeakPolarHBondContact O-CB 3.44Å; E189-Y193 PolarHBondContact O-N 3.44Å; Y193-S195 PolarHBondContact O-N 3.5Å; Y193-G196 PolarHBondContact O-N 3.5Å; Y193-L197 PolarHBondContact O-N 2.98Å
194Y88.2Confident84.2Confident17 Ų1744.9 Ų44.97%0.06723%0.232CC..Hα-helixtrans-70.4-17178.7-83-67.7000113.5L125 F175 F190 N192 L197 S198 I211 F215L125-Y194 HydrophobicContact CD1-CG 4.49Å; L125-Y194 HydrophobicContact CD2-CD1 3.92Å; L125-Y194 HydrophobicContact CD2-CD2 3.71Å; L125-Y194 HydrophobicContact CD2-CE2 4.45Å; L125-Y194 HydrophobicContact CD2-CG 3.42Å; L125-Y194 VanDerWaalsContact CD2-CG 3.42Å; F175-Y194 HydrophobicContact CD1-CE2 4.45Å; F175-Y194 AromaticContact CE1-CE2 3.76Å; F175-Y194 HydrophobicContact CE1-CE2 3.76Å; F190-Y194 HydrophobicContact CD1-CD2 4.03Å; F190-Y194 HydrophobicContact CD1-CE2 4.48Å; F190-Y194 HydrophobicContact CD2-CD2 4.46Å; F190-Y194 HydrophobicContact CD2-CE2 4.27Å; F190-Y194 AromaticContact CE1-CD2 3.69Å; F190-Y194 HydrophobicContact CE1-CD2 3.69Å; F190-Y194 AromaticContact CE1-CE2 3.89Å; F190-Y194 HydrophobicContact CE1-CE2 3.89Å; F190-Y194 HydrophobicContact CE2-CD2 4.15Å; F190-Y194 AromaticContact CE2-CE2 3.65Å; F190-Y194 HydrophobicContact CE2-CE2 3.65Å; F190-Y194 HydrophobicContact CG-CD2 4.41Å; F190-Y194 AromaticContact CZ-CD2 3.76Å; F190-Y194 HydrophobicContact CZ-CD2 3.76Å; F190-Y194 AromaticContact CZ-CE2 3.44Å; F190-Y194 HydrophobicContact CZ-CE2 3.44Å; F190-Y194 VanDerWaalsContact CZ-CE2 3.44Å; F190-Y194 WeakPolarHBondContact O-CD2 2.94Å; F190-Y194 PolarHBondContact O-N 3.43Å; N192-Y194 PolarHBondContact O-N 3.03Å; Y194-L197 HydrophobicContact CD1-CB 4.38Å; Y194-L197 HydrophobicContact CD1-CD2 3.76Å; Y194-L197 HydrophobicContact CE1-CD2 3.7Å; Y194-S198 WeakPolarHBondContact O-CA 3.48Å; Y194-S198 WeakPolarHBondContact O-CB 3.46Å; Y194-S198 PolarHBondContact O-N 3.27Å; Y194-I211 HydrophobicContact CD1-CD1 3.48Å; Y194-I211 VanDerWaalsContact CD1-CD1 3.48Å; Y194-I211 HydrophobicContact CE1-CD1 3.37Å; Y194-I211 HydrophobicContact CG-CD1 4.32Å; Y194-F215 HydrophobicContact CE1-CE2 4.44Å; Y194-F215 AromaticContact CE2-CE2 3.93Å; Y194-F215 HydrophobicContact CE2-CE2 3.93Å; Y194-F215 AromaticContact CE2-CZ 3.85Å; Y194-F215 HydrophobicContact CE2-CZ 3.85Å; Y194-F215 AromaticContact CZ-CE2 3.61Å; Y194-F215 AromaticContact CZ-CZ 3.74Å; Y194-F215 WeakPolarHBondContact OH-CE2 3.27Å; Y194-F215 WeakPolarHBondContact OH-CZ 3.23Å
195S83Confident84.4Confident0 Ų044.2 Ų44.20%024%0.238CC..Hα-helixtrans-68.9-43.8170.9-164.70000111.8P115 F191 N192 Y193 S198 A199P115-S195 WeakPolarHBondContact CD-OG 3.26Å; P115-S195 WeakPolarHBondContact CG-OG 3.41Å; P115-S195 VanDerWaalsContact N-OG 3.16Å; P115-S195 PolarHBondContact O-OG 3.43Å; F191-S195 VanDerWaalsContact O-CB 3.3Å; F191-S195 WeakPolarHBondContact O-CB 3.3Å; F191-S195 PolarHBondContact O-N 3.46Å; N192-S195 WeakPolarHBondContact O-CA 3.49Å; N192-S195 VanDerWaalsContact O-CB 3.24Å; N192-S195 WeakPolarHBondContact O-CB 3.35Å; N192-S195 PolarHBondContact O-N 3.03Å; Y193-S195 PolarHBondContact O-N 3.5Å; S195-S198 CarbonylContact O-C 3.57Å; S195-S198 WeakPolarHBondContact O-CB 3.46Å; S195-S198 PolarHBondContact O-N 2.91Å; S195-A199 PolarHBondContact O-N 3.48Å
196G77Confident84.5Confident28 Ų2851 Ų5129%0.28927%0.265SS..Hα-helixtrans-58.8-46.2171.100000112N192 Y193 S198 A199N192-G196 PolarHBondContact O-N 3.17Å; N192-G196 VanDerWaalsContact O-N 3.16Å; Y193-G196 PolarHBondContact O-N 3.5Å; G196-S198 VanDerWaalsContact C-N 3.34Å; G196-S198 PolarHBondContact O-N 3.31Å; G196-A199 WeakPolarHBondContact O-CA 3.41Å; G196-A199 WeakPolarHBondContact O-CB 3.46Å; G196-A199 PolarHBondContact O-N 3.13Å
197L84Confident84.6Confident55 Ų5548.3 Ų48.329%0.28825%0.248SC..Hα-helixtrans-65.2-38.9174.8-175.264.8000112.2Y193 Y194 A199 S200 V201 M210Y193-L197 PolarHBondContact O-N 2.98Å; Y194-L197 HydrophobicContact CD1-CB 4.38Å; Y194-L197 HydrophobicContact CD1-CD2 3.76Å; Y194-L197 HydrophobicContact CE1-CD2 3.7Å; L197-A199 PolarHBondContact O-N 2.97Å; L197-S200 PolarHBondContact O-N 2.87Å; L197-S200 VanDerWaalsContact O-N 3.12Å; L197-S200 PolarHBondContact O-OG 2.95Å; L197-V201 PolarHBondContact O-N 3.36Å; L197-M210 HydrophobicContact CD2-CE 3.38Å; L197-M210 HydrophobicContact CD2-SD 4Å; L197-M210 HydrophobicContact CG-CE 3.94Å; L197-M210 HydrophobicContact CG-SD 4.48Å
198S85.2Confident84.9Confident1 Ų145.2 Ų45.21%0.00724%0.239CC..Hα-helixtrans-59.9-34.6174.2-1790000110.2R104 M117 R121 Y194 S195 G196 S200 V201 F207R104-S198 VanDerWaalsContact NH1-C 3.31Å; R104-S198 PolarHBondContact NH1-O 3.28Å; M117-S198 VanDerWaalsContact SD-CB 3.53Å; R121-S198 WeakPolarHBondContact CD-OG 3.46Å; R121-S198 PolarHBondContact NH1-O 3.23Å; R121-S198 PolarHBondContact NH1-OG 3.4Å; Y194-S198 WeakPolarHBondContact O-CA 3.48Å; Y194-S198 WeakPolarHBondContact O-CB 3.46Å; Y194-S198 PolarHBondContact O-N 3.27Å; S195-S198 CarbonylContact O-C 3.57Å; S195-S198 WeakPolarHBondContact O-CB 3.46Å; S195-S198 PolarHBondContact O-N 2.91Å; G196-S198 VanDerWaalsContact C-N 3.34Å; G196-S198 PolarHBondContact O-N 3.31Å; S198-S200 PolarHBondContact O-N 3.34Å; S198-V201 PolarHBondContact O-N 3.26Å; S198-V201 VanDerWaalsContact O-N 3.09Å; S198-V201 VanDerWaalsContact O-O 3.08Å; S198-F207 VanDerWaalsContact CA-CE2 3.47Å; S198-F207 VanDerWaalsContact CB-CE2 3.49Å
199A76.4Confident85.3Confident1 Ų144.3 Ų44.31%0.00824%0.237CC..Hα-helixtrans-52.9-34.717400000113.4R104 P115 S195 G196 L197R104-A199 VanDerWaalsContact CD-O 3.3Å; R104-A199 WeakPolarHBondContact CD-O 3.01Å; R104-A199 VanDerWaalsContact CZ-C 3.4Å; R104-A199 PolarHBondContact NE-O 3Å; R104-A199 VanDerWaalsContact NH1-C 3.31Å; R104-A199 PolarHBondContact NH1-O 3.21Å; R104-A199 VanDerWaalsContact NH1-O 3.16Å; R104-A199 PolarHBondContact NH2-O 3.23Å; R104-A199 VanDerWaalsContact NH2-O 3.11Å; P115-A199 HydrophobicContact CG-CB 3.82Å; S195-A199 PolarHBondContact O-N 3.48Å; G196-A199 WeakPolarHBondContact O-CA 3.41Å; G196-A199 WeakPolarHBondContact O-CB 3.46Å; G196-A199 PolarHBondContact O-N 3.13Å; L197-A199 PolarHBondContact O-N 2.97Å
200S75.9Confident85.8Confident51 Ų5145 Ų4536%0.35724%0.241SC..Hα-helixtrans-93.1-7.9-179.764.10000114.2L197 S198L197-S200 PolarHBondContact O-N 2.87Å; L197-S200 VanDerWaalsContact O-N 3.12Å; L197-S200 PolarHBondContact O-OG 2.95Å; S198-S200 PolarHBondContact O-N 3.34Å
201V83.7Confident86.1Confident11 Ų1145 Ų457%0.06724%0.241CC..  trans-104117.9179.7176.60000111.7R104 R121 L197 S198 N203 Y206 F207 M210R104-V201 PolarHBondContact NH2-O 2.73Å; R121-V201 PolarHBondContact NH1-O 2.89Å; R121-V201 PolarHBondContact NH2-O 3.19Å; L197-V201 PolarHBondContact O-N 3.36Å; S198-V201 PolarHBondContact O-N 3.26Å; S198-V201 VanDerWaalsContact O-N 3.09Å; S198-V201 VanDerWaalsContact O-O 3.08Å; V201-N203 WeakPolarHBondContact CG1-O 3.34Å; V201-Y206 HydrophobicContact CG1-CD1 3.68Å; V201-Y206 HydrophobicContact CG1-CE1 4.49Å; V201-Y206 HydrophobicContact CG2-CD1 4.49Å; V201-F207 HydrophobicContact CB-CB 4.45Å; V201-F207 HydrophobicContact CB-CD2 4.08Å; V201-F207 HydrophobicContact CG1-CB 3.74Å; V201-F207 HydrophobicContact CG1-CD2 4.27Å; V201-F207 HydrophobicContact CG2-CD2 4.24Å; V201-M210 HydrophobicContact CG2-SD 4.43Å
202D79.1Confident86.3Confident102 Ų10248.8 Ų48.855%0.54526%0.255SS..  trans-76.3-44-175.3-67.2-27.8000113.3R104 R121R104-D202 IonicContact NH2-OD1 3.61Å; R121-D202 PolarHBondContact NH2-O 3.19Å
203N84.4Confident86.9Confident96 Ų9650.2 Ų50.251%0.51327%0.269SS..  trans-98.5129.5-174.8-176.10.3000112.5V201 A205 Y206 F207V201-N203 WeakPolarHBondContact CG1-O 3.34Å; N203-A205 VanDerWaalsContact C-N 3.31Å; N203-A205 PolarHBondContact O-N 3.39Å; N203-A205 PolarHBondContact OD1-N 3.48Å; N203-Y206 PolarHBondContact O-N 3.16Å; N203-F207 PolarHBondContact O-N 2.95Å
204D88.3Confident87.2Confident52 Ų5248.9 Ų48.928%0.27827%0.274SS..Hα-helixtrans-59.2-37.9175.2-76.510.4000112.9S118 R121 Y206 F207 D208S118-D204 VanDerWaalsContact CB-OD2 3.31Å; S118-D204 WeakPolarHBondContact CB-OD2 3.26Å; S118-D204 PolarHBondContact OG-OD2 3Å; R121-D204 IonicContact CZ-OD1 3.19Å; R121-D204 IonicContact NE-OD1 3.96Å; R121-D204 PolarHBondContact NE-OD1 3.4Å; R121-D204 IonicContact NH2-OD1 2.65Å; R121-D204 PolarHBondContact NH2-OD1 3.37Å; D204-Y206 PolarHBondContact O-N 2.99Å; D204-F207 PolarHBondContact O-N 3.27Å; D204-D208 WeakPolarHBondContact O-CB 3.39Å; D204-D208 PolarHBondContact O-N 3.18Å
205A90.6Very high87.3Confident62 Ų6248.8 Ų48.851%0.51227%0.274SS..Hα-helixtrans-66.8-37.6178.500000112.2N203 L209N203-A205 VanDerWaalsContact C-N 3.31Å; N203-A205 PolarHBondContact O-N 3.39Å; N203-A205 PolarHBondContact OD1-N 3.48Å; A205-L209 WeakPolarHBondContact O-CB 3.5Å; A205-L209 PolarHBondContact O-N 3.01Å
206Y91.1Very high87.6Confident143 Ų14357 Ų5756%0.56131%0.31SS*.Hα-helixtrans-70.3-40.8175.4-178.4-108.3000111.2V201 N203 D204 L209 M210V201-Y206 HydrophobicContact CG1-CD1 3.68Å; V201-Y206 HydrophobicContact CG1-CE1 4.49Å; V201-Y206 HydrophobicContact CG2-CD1 4.49Å; N203-Y206 PolarHBondContact O-N 3.16Å; D204-Y206 PolarHBondContact O-N 2.99Å; Y206-L209 PolarHBondContact O-N 3.45Å; Y206-M210 VanDerWaalsContact O-CB 3.27Å; Y206-M210 WeakPolarHBondContact O-CB 3.44Å; Y206-M210 PolarHBondContact O-N 3.3Å
207F91.9Very high88.2Confident0 Ų059.9 Ų59.90%032%0.318CS..Hα-helixtrans-60.9-47.9173.8-173.1-90.5000111.7M117 R121 V124 L125 S198 V201 N203 D204 L209 M210 I211M117-F207 HydrophobicContact SD-CZ 4.45Å; R121-F207 HydrophobicContact CB-CD1 3.8Å; R121-F207 HydrophobicContact CB-CE1 3.72Å; R121-F207 HydrophobicContact CG-CB 4.37Å; R121-F207 HydrophobicContact CG-CD1 3.45Å; R121-F207 VanDerWaalsContact CG-CD1 3.45Å; R121-F207 HydrophobicContact CG-CE1 3.9Å; R121-F207 HydrophobicContact CG-CG 4.02Å; V124-F207 HydrophobicContact CG1-CD1 4.26Å; V124-F207 HydrophobicContact CG1-CE1 4.19Å; L125-F207 HydrophobicContact CD1-CE1 4.25Å; L125-F207 HydrophobicContact CD1-CZ 4.14Å; L125-F207 HydrophobicContact CD2-CE1 4.24Å; L125-F207 HydrophobicContact CD2-CZ 4.14Å; L125-F207 HydrophobicContact CG-CE1 4.06Å; L125-F207 HydrophobicContact CG-CZ 4.25Å; S198-F207 VanDerWaalsContact CA-CE2 3.47Å; S198-F207 VanDerWaalsContact CB-CE2 3.49Å; V201-F207 HydrophobicContact CB-CB 4.45Å; V201-F207 HydrophobicContact CB-CD2 4.08Å; V201-F207 HydrophobicContact CG1-CB 3.74Å; V201-F207 HydrophobicContact CG1-CD2 4.27Å; V201-F207 HydrophobicContact CG2-CD2 4.24Å; N203-F207 PolarHBondContact O-N 2.95Å; D204-F207 PolarHBondContact O-N 3.27Å; F207-L209 PolarHBondContact O-N 3.46Å; F207-M210 HydrophobicContact CD2-CE 3.69Å; F207-M210 HydrophobicContact CE2-CE 3.76Å; F207-M210 HydrophobicContact CG-CE 4.43Å; F207-M210 WeakPolarHBondContact O-CB 3.35Å; F207-M210 PolarHBondContact O-N 3.15Å; F207-I211 HydrophobicContact CD1-CG1 3.94Å; F207-I211 HydrophobicContact CE1-CD1 4.18Å; F207-I211 HydrophobicContact CE1-CG1 3.58Å; F207-I211 HydrophobicContact CE2-CD1 4.41Å; F207-I211 HydrophobicContact CE2-CG1 4.47Å; F207-I211 HydrophobicContact CZ-CD1 3.96Å; F207-I211 HydrophobicContact CZ-CG1 3.88Å; F207-I211 WeakPolarHBondContact O-CG1 3.4Å; F207-I211 PolarHBondContact O-N 2.77Å
208D94.4Very high88.4Confident32 Ų3260.2 Ų60.217%0.17132%0.32CS..Hα-helixtrans-59-47.7177.1174.3-83.2000111.3D204 M210 I211 R212D204-D208 WeakPolarHBondContact O-CB 3.39Å; D204-D208 PolarHBondContact O-N 3.18Å; D208-M210 PolarHBondContact O-N 3.28Å; D208-I211 PolarHBondContact O-N 3.03Å; D208-R212 VanDerWaalsContact CG-NE 3.28Å; D208-R212 WeakPolarHBondContact O-CB 3.37Å; D208-R212 VanDerWaalsContact O-CG 3.25Å; D208-R212 WeakPolarHBondContact O-CG 3.46Å; D208-R212 PolarHBondContact O-N 3.49Å; D208-R212 VanDerWaalsContact OD1-CD 3.24Å; D208-R212 WeakPolarHBondContact OD1-CD 3.49Å; D208-R212 IonicContact OD1-CZ 2.71Å; D208-R212 IonicContact OD1-NE 2.74Å; D208-R212 PolarHBondContact OD1-NE 2.85Å; D208-R212 IonicContact OD1-NH2 2.65Å; D208-R212 IonicContact OD2-CZ 3.62Å; D208-R212 IonicContact OD2-NE 2.82Å; D208-R212 PolarHBondContact OD2-NE 3.42Å; D208-R212 IonicContact OD2-NH2 3.19Å; D208-R212 PolarHBondContact OD2-NH2 3.27Å
209L93.4Very high88.6Confident97 Ų9763.3 Ų63.351%0.50834%0.336SS..Hα-helixtrans-58.6-46.5175.7179.862.5000111.9A205 Y206 F207 I211 R212 C213A205-L209 WeakPolarHBondContact O-CB 3.5Å; A205-L209 PolarHBondContact O-N 3.01Å; Y206-L209 PolarHBondContact O-N 3.45Å; F207-L209 PolarHBondContact O-N 3.46Å; L209-I211 PolarHBondContact O-N 3.07Å; L209-R212 PolarHBondContact O-N 2.92Å; L209-C213 WeakPolarHBondContact O-CB 3.19Å; L209-C213 PolarHBondContact O-N 2.93Å; L209-C213 PolarHBondContact O-SG 3.1Å; L209-C213 VanDerWaalsContact O-SG 3.33Å
210M93.2Very high89.2Confident37 Ų3766.7 Ų66.718%0.18235%0.354CS..Hα-helixtrans-57.7-50.4178.3179.3-167.473.100111.1L197 V201 Y206 F207 D208 R212 C213 S214L197-M210 HydrophobicContact CD2-CE 3.38Å; L197-M210 HydrophobicContact CD2-SD 4Å; L197-M210 HydrophobicContact CG-CE 3.94Å; L197-M210 HydrophobicContact CG-SD 4.48Å; V201-M210 HydrophobicContact CG2-SD 4.43Å; Y206-M210 VanDerWaalsContact O-CB 3.27Å; Y206-M210 WeakPolarHBondContact O-CB 3.44Å; Y206-M210 PolarHBondContact O-N 3.3Å; F207-M210 HydrophobicContact CD2-CE 3.69Å; F207-M210 HydrophobicContact CE2-CE 3.76Å; F207-M210 HydrophobicContact CG-CE 4.43Å; F207-M210 WeakPolarHBondContact O-CB 3.35Å; F207-M210 PolarHBondContact O-N 3.15Å; D208-M210 PolarHBondContact O-N 3.28Å; M210-R212 PolarHBondContact O-N 3.32Å; M210-C213 PolarHBondContact O-N 2.78Å; M210-S214 WeakPolarHBondContact O-CB 3.37Å; M210-S214 PolarHBondContact O-N 3.1Å; M210-S214 PolarHBondContact O-OG 3.48Å
211I94.6Very high90Very high0 Ų067.6 Ų67.60%035%0.354CS..Hα-helixtrans-62.5-42.7178.8-62.2-57.4000110.9V124 L125 A128 Y194 F207 D208 L209 C213 S214 F215 L217V124-I211 HydrophobicContact CB-CG2 4.47Å; V124-I211 HydrophobicContact CG1-CB 4.14Å; V124-I211 HydrophobicContact CG1-CG1 4.24Å; V124-I211 HydrophobicContact CG1-CG2 4.19Å; V124-I211 HydrophobicContact CG2-CB 3.95Å; V124-I211 HydrophobicContact CG2-CG2 3.73Å; L125-I211 HydrophobicContact CD2-CD1 3.73Å; L125-I211 HydrophobicContact CD2-CG1 4.01Å; L125-I211 HydrophobicContact CD2-CG2 4.26Å; A128-I211 HydrophobicContact CB-CG2 3.87Å; Y194-I211 HydrophobicContact CD1-CD1 3.48Å; Y194-I211 VanDerWaalsContact CD1-CD1 3.48Å; Y194-I211 HydrophobicContact CE1-CD1 3.37Å; Y194-I211 HydrophobicContact CG-CD1 4.32Å; F207-I211 HydrophobicContact CD1-CG1 3.94Å; F207-I211 HydrophobicContact CE1-CD1 4.18Å; F207-I211 HydrophobicContact CE1-CG1 3.58Å; F207-I211 HydrophobicContact CE2-CD1 4.41Å; F207-I211 HydrophobicContact CE2-CG1 4.47Å; F207-I211 HydrophobicContact CZ-CD1 3.96Å; F207-I211 HydrophobicContact CZ-CG1 3.88Å; F207-I211 WeakPolarHBondContact O-CG1 3.4Å; F207-I211 PolarHBondContact O-N 2.77Å; D208-I211 PolarHBondContact O-N 3.03Å; L209-I211 PolarHBondContact O-N 3.07Å; I211-C213 PolarHBondContact O-N 2.98Å; I211-S214 PolarHBondContact O-N 3.05Å; I211-F215 HydrophobicContact CG2-CD2 3.83Å; I211-F215 HydrophobicContact CG2-CE2 4.29Å; I211-F215 WeakPolarHBondContact O-CD2 3.48Å; I211-F215 PolarHBondContact O-N 3.48Å; I211-L217 HydrophobicContact CG2-CD1 4.21Å
212R94.5Very high90.4Very high83 Ų8371.2 Ų71.231%0.31337%0.372SS..Hα-helixtrans-62.6-41.6177.5-70.6174.6-176.6-90.41.4112.7V124 D208 L209 M210 K216 L217V124-R212 HydrophobicContact CG2-CG 3.98Å; D208-R212 VanDerWaalsContact CG-NE 3.28Å; D208-R212 WeakPolarHBondContact O-CB 3.37Å; D208-R212 VanDerWaalsContact O-CG 3.25Å; D208-R212 WeakPolarHBondContact O-CG 3.46Å; D208-R212 PolarHBondContact O-N 3.49Å; D208-R212 VanDerWaalsContact OD1-CD 3.24Å; D208-R212 WeakPolarHBondContact OD1-CD 3.49Å; D208-R212 IonicContact OD1-CZ 2.71Å; D208-R212 IonicContact OD1-NE 2.74Å; D208-R212 PolarHBondContact OD1-NE 2.85Å; D208-R212 IonicContact OD1-NH2 2.65Å; D208-R212 IonicContact OD2-CZ 3.62Å; D208-R212 IonicContact OD2-NE 2.82Å; D208-R212 PolarHBondContact OD2-NE 3.42Å; D208-R212 IonicContact OD2-NH2 3.19Å; D208-R212 PolarHBondContact OD2-NH2 3.27Å; L209-R212 PolarHBondContact O-N 2.92Å; M210-R212 PolarHBondContact O-N 3.32Å; R212-K216 CarbonylContact O-C 3.54Å; R212-K216 WeakPolarHBondContact O-CA 3.31Å; R212-K216 PolarHBondContact O-N 3.2Å; R212-L217 HydrophobicContact CB-CB 4.25Å; R212-L217 HydrophobicContact CG-CB 4.02Å; R212-L217 HydrophobicContact CG-CD1 4.17Å; R212-L217 PolarHBondContact O-N 2.9Å
213C92.5Very high91.2Very high88 Ų8869.1 Ų69.160%0.59536%0.361SS*.Hα-helixtrans-65.5-47176.1-72.70000111.4L209 M210 I211 F215 K216L209-C213 WeakPolarHBondContact O-CB 3.19Å; L209-C213 PolarHBondContact O-N 2.93Å; L209-C213 PolarHBondContact O-SG 3.1Å; L209-C213 VanDerWaalsContact O-SG 3.33Å; M210-C213 PolarHBondContact O-N 2.78Å; I211-C213 PolarHBondContact O-N 2.98Å; C213-F215 PolarHBondContact O-N 2.93Å; C213-K216 PolarHBondContact O-N 3.43Å
214S90Very high91.7Very high71 Ų7167.2 Ų67.250%0.49735%0.35SS..Hα-helixtrans-60.6-43.3-179.6-63.50000112.3M210 I211M210-S214 WeakPolarHBondContact O-CB 3.37Å; M210-S214 PolarHBondContact O-N 3.1Å; M210-S214 PolarHBondContact O-OG 3.48Å; I211-S214 PolarHBondContact O-N 3.05Å
215F90.2Very high91.9Very high14 Ų1468.4 Ų68.46%0.06136%0.355CS..Hα-helixtrans-99.42-176.9-66.8-72.8000114.1A128 K131 M132 F190 Y194 I211 C213 L217A128-F215 HydrophobicContact CB-CB 4.23Å; A128-F215 HydrophobicContact CB-CD1 4.37Å; A128-F215 HydrophobicContact CB-CD2 3.46Å; A128-F215 VanDerWaalsContact CB-CD2 3.46Å; A128-F215 HydrophobicContact CB-CE2 3.8Å; A128-F215 HydrophobicContact CB-CG 3.75Å; A128-F215 HydrophobicContact CB-CZ 4.4Å; K131-F215 VanDerWaalsContact CD-O 3.25Å; K131-F215 WeakPolarHBondContact CD-O 3.35Å; K131-F215 WeakPolarHBondContact CE-O 3.29Å; K131-F215 PolarHBondContact NZ-O 3.32Å; M132-F215 HydrophobicContact CE-CE1 4.22Å; M132-F215 HydrophobicContact CG-CD1 4.09Å; M132-F215 HydrophobicContact CG-CE1 4.02Å; M132-F215 HydrophobicContact SD-CD1 3.88Å; M132-F215 HydrophobicContact SD-CE1 3.21Å; M132-F215 WeakPolarHBondContact SD-CE1 3.4Å; M132-F215 HydrophobicContact SD-CZ 3.95Å; F190-F215 HydrophobicContact CE2-CE1 4.43Å; F190-F215 AromaticContact CE2-CZ 3.91Å; F190-F215 HydrophobicContact CE2-CZ 3.91Å; F190-F215 HydrophobicContact CZ-CE1 4.41Å; F190-F215 HydrophobicContact CZ-CE2 4.09Å; F190-F215 AromaticContact CZ-CZ 3.71Å; F190-F215 HydrophobicContact CZ-CZ 3.71Å; Y194-F215 HydrophobicContact CE1-CE2 4.44Å; Y194-F215 AromaticContact CE2-CE2 3.93Å; Y194-F215 HydrophobicContact CE2-CE2 3.93Å; Y194-F215 AromaticContact CE2-CZ 3.85Å; Y194-F215 HydrophobicContact CE2-CZ 3.85Å; Y194-F215 AromaticContact CZ-CE2 3.61Å; Y194-F215 AromaticContact CZ-CZ 3.74Å; Y194-F215 WeakPolarHBondContact OH-CE2 3.27Å; Y194-F215 WeakPolarHBondContact OH-CZ 3.23Å; I211-F215 HydrophobicContact CG2-CD2 3.83Å; I211-F215 HydrophobicContact CG2-CE2 4.29Å; I211-F215 WeakPolarHBondContact O-CD2 3.48Å; I211-F215 PolarHBondContact O-N 3.48Å; C213-F215 PolarHBondContact O-N 2.93Å; F215-L217 VanDerWaalsContact C-N 3.31Å; F215-L217 HydrophobicContact CB-CD2 4.28Å; F215-L217 HydrophobicContact CB-CG 3.99Å; F215-L217 PolarHBondContact O-N 3.23Å
216K88.9Confident92Very high174 Ų17468.9 Ų68.976%0.75734%0.342SS*.THydrogen-bonded Turntrans51.446-175.6-55.5178-178.4175.90112.7K131 R212 C213K131-K216 VanDerWaalsContact NZ-C 3.33Å; K131-K216 PolarHBondContact NZ-O 3.46Å; R212-K216 CarbonylContact O-C 3.54Å; R212-K216 WeakPolarHBondContact O-CA 3.31Å; R212-K216 PolarHBondContact O-N 3.2Å; C213-K216 PolarHBondContact O-N 3.43Å
217L89.6Confident92.1Very high88 Ų8862.2 Ų62.246%0.46132%0.322SS..  trans-72.40-178.7-65.9177.7000113.4V124 K127 A128 K131 I211 R212 F215V124-L217 HydrophobicContact CG2-CD1 3.79Å; K127-L217 HydrophobicContact CB-CD1 3.93Å; K127-L217 HydrophobicContact CB-CD2 4.15Å; A128-L217 HydrophobicContact CB-CD1 4.34Å; K131-L217 HydrophobicContact CB-CD2 4.12Å; K131-L217 HydrophobicContact CD-CD2 3.75Å; I211-L217 HydrophobicContact CG2-CD1 4.21Å; R212-L217 HydrophobicContact CB-CB 4.25Å; R212-L217 HydrophobicContact CG-CB 4.02Å; R212-L217 HydrophobicContact CG-CD1 4.17Å; R212-L217 PolarHBondContact O-N 2.9Å; F215-L217 VanDerWaalsContact C-N 3.31Å; F215-L217 HydrophobicContact CB-CD2 4.28Å; F215-L217 HydrophobicContact CB-CG 3.99Å; F215-L217 PolarHBondContact O-N 3.23Å

Retrieved 217 of 217 residues in 326.4 ms (Link to these results)

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