A0A096MVW6_PAPAN Loading...

Chromosome 3 open reading frame 38

AlphaFold DB , UniProt , Accession A0A096MVW6, Species PAPAN (Papio anubis, Olive baboon), Gene C3orf38, Length 329 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
1V34.1Very low65.1Low190 Ų19093.8 Ų93.8100%1.15256%0.555SS**  090.20-176.40000105.6M3V1-M3 PolarHBondContact O-N 3.32Å
2E35.8Very low66.7Low183 Ų18393.3 Ų93.386%0.85554%0.543SS*.  trans-67119.8-177.3-73.8-179.7155.600108.3S4E2-S4 PolarHBondContact O-N 2.89Å; E2-S4 PolarHBondContact O-OG 2.96Å
3M37.8Very low68.1Low187 Ų18786.3 Ų86.392%0.92150%0.504SS*.  trans-63.4105.3-179.4-66.8-171.1-64.700108.5V1 G5V1-M3 PolarHBondContact O-N 3.32Å; M3-G5 PolarHBondContact O-N 2.71Å
4S54Low69.4Low101 Ų10180.1 Ų80.171%0.70647%0.468SS*.  trans-78.788.8-177.2-33.40000108.8E2E2-S4 PolarHBondContact O-N 2.89Å; E2-S4 PolarHBondContact O-OG 2.96Å
5G65.6Low70.7Confident46 Ų4682.9 Ų82.947%0.47447%0.467SS..  trans-140.2169.3176.600000110.8M3 S7M3-G5 PolarHBondContact O-N 2.71Å; G5-S7 PolarHBondContact O-N 3.44Å
6L78.4Confident71.7Confident24 Ų2482.1 Ų82.113%0.12646%0.461CS..  trans-58.4134.5176.8-62171.5000110.8E10 M11 L51 S56 A57L6-E10 HydrophobicContact CB-CB 4.35Å; L6-E10 HydrophobicContact CD2-CB 4.29Å; L6-M11 HydrophobicContact CB-CB 4.16Å; L6-L51 HydrophobicContact CD1-CD2 3.93Å; L6-S56 VanDerWaalsContact CD2-C 3.49Å; L6-A57 HydrophobicContact CD2-CB 3.75Å
7S82.9Confident72.8Confident56 Ų5677.2 Ų77.239%0.39243%0.434SS..  trans-65.4161.5167.566.10000110.8G5 S9 E10 M11G5-S7 PolarHBondContact O-N 3.44Å; S7-S9 VanDerWaalsContact C-N 3.3Å; S7-S9 PolarHBondContact O-N 3.17Å; S7-E10 VanDerWaalsContact CB-OE2 3.31Å; S7-E10 WeakPolarHBondContact CB-OE2 3.42Å; S7-E10 PolarHBondContact N-OE2 3.02Å; S7-E10 CarbonylContact O-C 3.59Å; S7-E10 PolarHBondContact O-N 2.91Å; S7-E10 VanDerWaalsContact O-N 3.09Å; S7-E10 WeakPolarHBondContact OG-CB 3.25Å; S7-E10 VanDerWaalsContact OG-CD 3.23Å; S7-E10 WeakPolarHBondContact OG-CG 3.4Å; S7-E10 PolarHBondContact OG-N 2.98Å; S7-E10 PolarHBondContact OG-OE2 3.42Å; S7-M11 WeakPolarHBondContact O-CB 3.26Å; S7-M11 PolarHBondContact O-N 3.13Å
8S79.3Confident73.7Confident105 Ų10573 Ų7373%0.73441%0.41SS*.Hα-helixtrans-55-43.1-179.5-178.10000113M11 E12S8-M11 PolarHBondContact O-N 3.11Å; S8-E12 PolarHBondContact O-N 2.92Å
9S80.1Confident74.3Confident33 Ų3371.7 Ų71.723%0.23142%0.415CS..Hα-helixtrans-66.6-38.9176.9-54.30000112.7S7 G13 W99S7-S9 VanDerWaalsContact C-N 3.3Å; S7-S9 PolarHBondContact O-N 3.17Å; S9-G13 PolarHBondContact O-N 2.65Å; S9-W99 WeakPolarHBondContact CB-O 3.15Å
10E85.1Confident74.8Confident31 Ų3170.7 Ų70.715%0.14541%0.407CS..Hα-helixtrans-70.8-37176.2-71.1169.4135.700111.4L6 S7 G13 C14 A57 W99L6-E10 HydrophobicContact CB-CB 4.35Å; L6-E10 HydrophobicContact CD2-CB 4.29Å; S7-E10 VanDerWaalsContact CB-OE2 3.31Å; S7-E10 WeakPolarHBondContact CB-OE2 3.42Å; S7-E10 PolarHBondContact N-OE2 3.02Å; S7-E10 CarbonylContact O-C 3.59Å; S7-E10 PolarHBondContact O-N 2.91Å; S7-E10 VanDerWaalsContact O-N 3.09Å; S7-E10 WeakPolarHBondContact OG-CB 3.25Å; S7-E10 VanDerWaalsContact OG-CD 3.23Å; S7-E10 WeakPolarHBondContact OG-CG 3.4Å; S7-E10 PolarHBondContact OG-N 2.98Å; S7-E10 PolarHBondContact OG-OE2 3.42Å; E10-G13 PolarHBondContact O-N 2.98Å; E10-C14 WeakPolarHBondContact O-CB 3.39Å; E10-C14 PolarHBondContact O-N 3.26Å; E10-C14 PolarHBondContact O-SG 2.85Å; E10-A57 HydrophobicContact CB-CB 4.28Å; E10-A57 HydrophobicContact CG-CB 4.3Å; E10-W99 HydrophobicContact CB-CE3 4.33Å; E10-W99 HydrophobicContact CG-CB 4.31Å; E10-W99 HydrophobicContact CG-CE3 3.9Å
11M83.1Confident75.2Confident76 Ų7667.4 Ų67.437%0.37439%0.388SS..Hα-helixtrans-63.9-45.6178.7-165.4176.8-145.400110.6L6 S7 S8 R15 L51L6-M11 HydrophobicContact CB-CB 4.16Å; S7-M11 WeakPolarHBondContact O-CB 3.26Å; S7-M11 PolarHBondContact O-N 3.13Å; S8-M11 PolarHBondContact O-N 3.11Å; M11-R15 VanDerWaalsContact O-CB 3.29Å; M11-R15 WeakPolarHBondContact O-CB 3.42Å; M11-R15 PolarHBondContact O-N 2.72Å; M11-L51 HydrophobicContact CE-CB 3.83Å; M11-L51 HydrophobicContact CG-CB 4.32Å; M11-L51 HydrophobicContact CG-CD1 4.29Å; M11-L51 HydrophobicContact CG-CD2 4.38Å
12E83.8Confident77.8Confident87 Ų8763.8 Ų63.841%0.40736%0.362SS..Hα-helixtrans-66.8-41.4175.1-175.455.7-149.600111.8S8 R15 N16S8-E12 PolarHBondContact O-N 2.92Å; E12-R15 PolarHBondContact O-N 3.08Å; E12-N16 PolarHBondContact O-N 2.82Å; E12-N16 PolarHBondContact O-ND2 2.9Å; E12-N16 PolarHBondContact OE1-ND2 2.87Å
13G85.6Confident80.2Confident3 Ų358.9 Ų58.93%0.03134%0.342CS..Hα-helixtrans-61.1-49.1175.900000113.4S9 E10 N16 L17 Y74 W99S9-G13 PolarHBondContact O-N 2.65Å; E10-G13 PolarHBondContact O-N 2.98Å; G13-N16 PolarHBondContact O-N 2.84Å; G13-L17 WeakPolarHBondContact O-CB 3.39Å; G13-L17 PolarHBondContact O-N 2.79Å; G13-Y74 WeakPolarHBondContact CA-OH 3.38Å; G13-W99 VanDerWaalsContact C-CZ2 3.43Å; G13-W99 VanDerWaalsContact CA-CE2 3.49Å
14C86.8Confident82.5Confident0 Ų056.4 Ų56.40%033%0.333CS..Hα-helixtrans-62.4-41.1174.5-73.60000111.4E10 N16 L17 L18 L51 L60E10-C14 WeakPolarHBondContact O-CB 3.39Å; E10-C14 PolarHBondContact O-N 3.26Å; E10-C14 PolarHBondContact O-SG 2.85Å; C14-N16 VanDerWaalsContact C-N 3.34Å; C14-N16 PolarHBondContact O-N 2.79Å; C14-L17 PolarHBondContact O-N 3.49Å; C14-L18 WeakPolarHBondContact O-CB 3.48Å; C14-L18 WeakPolarHBondContact O-CG 3.4Å; C14-L18 PolarHBondContact O-N 3.16Å; C14-L51 HydrophobicContact CB-CD2 3.57Å; C14-L60 HydrophobicContact CB-CD2 4.03Å
15R87.8Confident84.1Confident122 Ų12253.8 Ų53.846%0.4631%0.309SS..Hα-helixtrans-57.6-47.6176.4-172.5-179.3-175.9-178.11.1111.7M11 E12 L18 G19 V47 L51M11-R15 VanDerWaalsContact O-CB 3.29Å; M11-R15 WeakPolarHBondContact O-CB 3.42Å; M11-R15 PolarHBondContact O-N 2.72Å; E12-R15 PolarHBondContact O-N 3.08Å; R15-L18 PolarHBondContact O-N 2.92Å; R15-G19 PolarHBondContact O-N 3.06Å; R15-V47 HydrophobicContact CG-CG1 4.22Å; R15-L51 HydrophobicContact CB-CD1 3.83Å; R15-L51 HydrophobicContact CG-CD1 4.12Å
16N86.9Confident85.3Confident69 Ų6951.6 Ų51.637%0.36929%0.287SS..Hα-helixtrans-66.2-37.6179.2-72.4-40000112E12 G13 C14 G19 Y74E12-N16 PolarHBondContact O-N 2.82Å; E12-N16 PolarHBondContact O-ND2 2.9Å; E12-N16 PolarHBondContact OE1-ND2 2.87Å; G13-N16 PolarHBondContact O-N 2.84Å; C14-N16 VanDerWaalsContact C-N 3.34Å; C14-N16 PolarHBondContact O-N 2.79Å; N16-G19 PolarHBondContact O-N 2.9Å; N16-Y74 HydrophobicContact CB-CD2 4.38Å; N16-Y74 HydrophobicContact CB-CE2 3.67Å
17L90.7Very high85.7Confident0 Ų053.3 Ų53.30%030%0.295CS..Hα-helixtrans-66.9-44.3174.9-173.3151.5000112.3G13 C14 G19 L20 L61 V66 V70 I71 Y74G13-L17 WeakPolarHBondContact O-CB 3.39Å; G13-L17 PolarHBondContact O-N 2.79Å; C14-L17 PolarHBondContact O-N 3.49Å; L17-G19 PolarHBondContact O-N 3.28Å; L17-L20 WeakPolarHBondContact O-CB 3.14Å; L17-L20 PolarHBondContact O-N 3.28Å; L17-L61 HydrophobicContact CD1-CD2 3.53Å; L17-L61 HydrophobicContact CD2-CD2 3.68Å; L17-L61 HydrophobicContact CG-CD2 4.23Å; L17-V66 HydrophobicContact CD2-CG1 3.91Å; L17-V70 HydrophobicContact CD2-CG1 3.93Å; L17-V70 HydrophobicContact CG-CG1 4.3Å; L17-I71 HydrophobicContact CD1-CB 4.37Å; L17-I71 HydrophobicContact CD1-CG1 4.18Å; L17-I71 HydrophobicContact CD1-CG2 4.33Å; L17-Y74 HydrophobicContact CB-CD1 4.33Å; L17-Y74 HydrophobicContact CB-CD2 3.72Å; L17-Y74 HydrophobicContact CB-CE2 4.26Å; L17-Y74 HydrophobicContact CB-CG 3.78Å; L17-Y74 HydrophobicContact CD1-CD1 3.81Å; L17-Y74 HydrophobicContact CD1-CG 3.78Å; L17-Y74 HydrophobicContact CG-CD1 4.48Å; L17-Y74 HydrophobicContact CG-CD2 4.37Å; L17-Y74 HydrophobicContact CG-CG 3.98Å
18L88.1Confident86Confident1 Ų152 Ų521%0.00529%0.287CS..Hα-helixtrans-62.3-29176.2-69.5172.8000111.7C14 R15 L20 L21 I26 L29 R43 V47 I50 L51 L60C14-L18 WeakPolarHBondContact O-CB 3.48Å; C14-L18 WeakPolarHBondContact O-CG 3.4Å; C14-L18 PolarHBondContact O-N 3.16Å; R15-L18 PolarHBondContact O-N 2.92Å; L18-L20 PolarHBondContact O-N 3.12Å; L18-L20 VanDerWaalsContact O-N 3.1Å; L18-L21 HydrophobicContact CD2-CD1 3.84Å; L18-L21 PolarHBondContact O-N 3.5Å; L18-L21 VanDerWaalsContact O-N 3.14Å; L18-I26 HydrophobicContact CB-CD1 3.92Å; L18-I26 HydrophobicContact CD2-CD1 3.84Å; L18-I26 HydrophobicContact CG-CD1 4.42Å; L18-I26 WeakPolarHBondContact O-CD1 3.33Å; L18-L29 HydrophobicContact CD2-CD2 3.51Å; L18-R43 PolarHBondContact O-NH2 2.96Å; L18-V47 HydrophobicContact CB-CG1 4.48Å; L18-V47 HydrophobicContact CB-CG2 4.42Å; L18-V47 HydrophobicContact CD1-CG1 4.17Å; L18-I50 HydrophobicContact CD1-CB 4.24Å; L18-I50 HydrophobicContact CD1-CG2 3.68Å; L18-I50 HydrophobicContact CD2-CG2 4.36Å; L18-L51 HydrophobicContact CD1-CD2 4.03Å; L18-L51 HydrophobicContact CD1-CG 4.27Å; L18-L60 HydrophobicContact CD1-CD2 4.46Å
19G85.9Confident86.4Confident48 Ų4847 Ų4750%0.49525%0.252SS..THydrogen-bonded Turntrans-56.5-23.4172.500000114.2R15 N16 L17 R43R15-G19 PolarHBondContact O-N 3.06Å; N16-G19 PolarHBondContact O-N 2.9Å; L17-G19 PolarHBondContact O-N 3.28Å; G19-R43 PolarHBondContact O-NH2 2.74Å; G19-R43 VanDerWaalsContact O-NH2 3.15Å
20L83.9Confident86.9Confident51 Ų5145.4 Ų45.427%0.26724%0.241SC..THydrogen-bonded Turntrans-86.5-10.4-179.3-57.9177.2000114.6L17 L18 V70 K73L17-L20 WeakPolarHBondContact O-CB 3.14Å; L17-L20 PolarHBondContact O-N 3.28Å; L18-L20 PolarHBondContact O-N 3.12Å; L18-L20 VanDerWaalsContact O-N 3.1Å; L20-V70 HydrophobicContact CB-CG1 4.09Å; L20-K73 HydrophobicContact CD1-CB 4.27Å; L20-K73 HydrophobicContact CD1-CD 4.26Å; L20-K73 HydrophobicContact CD1-CG 4.09Å; L20-K73 HydrophobicContact CD2-CD 4.45Å
21L83.6Confident87Confident2 Ų246.8 Ų46.81%0.0125%0.25CC..SBendtrans-85.8149.5178.2-69.3171.1000110.8L18 E25 I26 L29 R43 K65 V66 V70L18-L21 HydrophobicContact CD2-CD1 3.84Å; L18-L21 PolarHBondContact O-N 3.5Å; L18-L21 VanDerWaalsContact O-N 3.14Å; L21-E25 HydrophobicContact CB-CB 4.2Å; L21-E25 HydrophobicContact CD2-CB 4.38Å; L21-E25 WeakPolarHBondContact CD2-OE2 3.26Å; L21-I26 HydrophobicContact CB-CD1 3.8Å; L21-I26 HydrophobicContact CB-CG1 3.8Å; L21-I26 HydrophobicContact CD1-CD1 3.69Å; L21-I26 HydrophobicContact CG-CD1 4.36Å; L21-L29 HydrophobicContact CD1-CD2 3.97Å; L21-R43 PolarHBondContact O-NH1 2.89Å; L21-R43 PolarHBondContact O-NH2 2.94Å; L21-K65 WeakPolarHBondContact CD2-O 3.3Å; L21-V66 HydrophobicContact CD1-CG2 4.44Å; L21-V70 HydrophobicContact CD2-CB 4.34Å; L21-V70 HydrophobicContact CD2-CG1 3.93Å; L21-V70 HydrophobicContact CD2-CG2 3.7Å; L21-V70 HydrophobicContact CG-CG1 4.12Å
22D87.6Confident87.1Confident114 Ų11446.2 Ų46.261%0.6125%0.25SS*.  trans-72.5168.4176.8-69.5-28.3000111.8D24 E25 I26 R43D22-D24 PolarHBondContact O-N 2.88Å; D22-E25 HydrophobicContact CB-CG 4.36Å; D22-E25 PolarHBondContact N-OE2 3.41Å; D22-E25 PolarHBondContact O-N 2.97Å; D22-I26 PolarHBondContact O-N 2.97Å; D22-R43 VanDerWaalsContact C-NH1 3.31Å; D22-R43 PolarHBondContact O-NH1 3.34Å
23N87.2Confident87.2Confident81 Ų8142.5 Ų42.543%0.43323%0.234SC..Hα-helixtrans-60.8-46.3-175.5-162.726000112E25 I26 M27 R43N23-E25 VanDerWaalsContact C-N 3.27Å; N23-E25 PolarHBondContact O-N 2.89Å; N23-I26 PolarHBondContact O-N 2.98Å; N23-M27 VanDerWaalsContact O-CG 3.31Å; N23-M27 WeakPolarHBondContact O-CG 3.48Å; N23-M27 PolarHBondContact O-N 2.84Å; N23-R43 WeakPolarHBondContact OD1-CB 3.27Å
24D85.7Confident87.2Confident134 Ų13442.4 Ų42.472%0.71723%0.233SC*.Hα-helixtrans-63.4-34.4179.7-62.3-23.7000112.3D22 A28D22-D24 PolarHBondContact O-N 2.88Å; D24-A28 VanDerWaalsContact O-CB 3.25Å; D24-A28 WeakPolarHBondContact O-CB 3.14Å; D24-A28 PolarHBondContact O-N 2.86Å
25E88.2Confident87.1Confident46 Ų4648.5 Ų48.522%0.21527%0.265CS..Hα-helixtrans-70.5-39.9177.3-62.1-175.8129.900111.8L21 D22 N23 L29L21-E25 HydrophobicContact CB-CB 4.2Å; L21-E25 HydrophobicContact CD2-CB 4.38Å; L21-E25 WeakPolarHBondContact CD2-OE2 3.26Å; D22-E25 HydrophobicContact CB-CG 4.36Å; D22-E25 PolarHBondContact N-OE2 3.41Å; D22-E25 PolarHBondContact O-N 2.97Å; N23-E25 VanDerWaalsContact C-N 3.27Å; N23-E25 PolarHBondContact O-N 2.89Å; E25-L29 WeakPolarHBondContact O-CB 3.39Å; E25-L29 PolarHBondContact O-N 3.39Å
26I91.1Very high86.8Confident0 Ų052 Ų520%028%0.278CS..Hα-helixtrans-66.2-45.2175.5-75.5-60.2000111.5L18 L21 D22 N23 A28 L29 C30 R43 A46 V47 I50L18-I26 HydrophobicContact CB-CD1 3.92Å; L18-I26 HydrophobicContact CD2-CD1 3.84Å; L18-I26 HydrophobicContact CG-CD1 4.42Å; L18-I26 WeakPolarHBondContact O-CD1 3.33Å; L21-I26 HydrophobicContact CB-CD1 3.8Å; L21-I26 HydrophobicContact CB-CG1 3.8Å; L21-I26 HydrophobicContact CD1-CD1 3.69Å; L21-I26 HydrophobicContact CG-CD1 4.36Å; D22-I26 PolarHBondContact O-N 2.97Å; N23-I26 PolarHBondContact O-N 2.98Å; I26-A28 PolarHBondContact O-N 3.05Å; I26-L29 PolarHBondContact O-N 2.76Å; I26-C30 WeakPolarHBondContact O-CB 3.23Å; I26-C30 PolarHBondContact O-N 2.92Å; I26-R43 HydrophobicContact CG2-CG 4.31Å; I26-A46 HydrophobicContact CG2-CB 3.56Å; I26-V47 HydrophobicContact CD1-CG2 4.28Å; I26-V47 HydrophobicContact CG2-CG2 4.07Å; I26-I50 HydrophobicContact CD1-CD1 4.31Å; I26-I50 HydrophobicContact CG2-CD1 4.25Å
27M86.5Confident86.2Confident61 Ų6155.1 Ų55.130%0.329%0.294SS..Hα-helixtrans-62.9-45.1177.7-62.8-60.3-103.400110.9N23 L29 C30 D31 P40 A46N23-M27 VanDerWaalsContact O-CG 3.31Å; N23-M27 WeakPolarHBondContact O-CG 3.48Å; N23-M27 PolarHBondContact O-N 2.84Å; M27-L29 PolarHBondContact O-N 3.36Å; M27-C30 WeakPolarHBondContact O-CB 3.16Å; M27-C30 PolarHBondContact O-N 3.13Å; M27-D31 PolarHBondContact O-N 3.46Å; M27-D31 VanDerWaalsContact O-N 3.09Å; M27-P40 HydrophobicContact CE-CG 4Å; M27-P40 HydrophobicContact SD-CB 4.42Å; M27-P40 HydrophobicContact SD-CG 3.76Å; M27-A46 HydrophobicContact SD-CB 3.78Å
28A88.1Confident85.7Confident28 Ų2856.8 Ų56.823%0.23130%0.304CS..Hα-helixtrans-65.8-35.7176.600000113D24 I26 T32 K65D24-A28 VanDerWaalsContact O-CB 3.25Å; D24-A28 WeakPolarHBondContact O-CB 3.14Å; D24-A28 PolarHBondContact O-N 2.86Å; I26-A28 PolarHBondContact O-N 3.05Å; A28-T32 WeakPolarHBondContact O-CG2 3.28Å; A28-T32 PolarHBondContact O-N 3.27Å; A28-K65 HydrophobicContact CB-CD 4.47Å
29L89.5Confident85.4Confident0 Ų065 Ų650%034%0.343CS..Hα-helixtrans-66.6-43.7174.9-178.759.4000110.5L18 L21 E25 I26 M27 D31 T32 V33 I50 L60 R63 K65 V66L18-L29 HydrophobicContact CD2-CD2 3.51Å; L21-L29 HydrophobicContact CD1-CD2 3.97Å; E25-L29 WeakPolarHBondContact O-CB 3.39Å; E25-L29 PolarHBondContact O-N 3.39Å; I26-L29 PolarHBondContact O-N 2.76Å; M27-L29 PolarHBondContact O-N 3.36Å; L29-D31 PolarHBondContact O-N 3.46Å; L29-T32 PolarHBondContact O-N 3.14Å; L29-T32 VanDerWaalsContact O-N 3.13Å; L29-T32 PolarHBondContact O-OG1 3.06Å; L29-V33 HydrophobicContact CD1-CG2 3.85Å; L29-V33 HydrophobicContact CG-CG2 4.17Å; L29-V33 WeakPolarHBondContact O-CG2 3.43Å; L29-V33 PolarHBondContact O-N 3.23Å; L29-I50 HydrophobicContact CB-CD1 4.18Å; L29-I50 HydrophobicContact CD2-CD1 4.16Å; L29-I50 HydrophobicContact CG-CD1 4.04Å; L29-I50 HydrophobicContact CG-CG1 4.49Å; L29-L60 HydrophobicContact CD1-CD1 4.31Å; L29-L60 HydrophobicContact CD2-CD1 4.18Å; L29-L60 HydrophobicContact CG-CD1 4.45Å; L29-R63 HydrophobicContact CD1-CB 3.77Å; L29-R63 HydrophobicContact CD1-CG 4.05Å; L29-K65 HydrophobicContact CB-CB 4.24Å; L29-K65 HydrophobicContact CD1-CB 4.32Å; L29-V66 HydrophobicContact CD1-CG2 4.46Å; L29-V66 HydrophobicContact CD2-CG2 3.86Å
30C88.8Confident85.2Confident0 Ų063.6 Ų63.60%033%0.325CS..Hα-helixtrans-55.4-50.5176.3-175.70000111.6I26 M27 T32 V33 T34 P40 A46 I50I26-C30 WeakPolarHBondContact O-CB 3.23Å; I26-C30 PolarHBondContact O-N 2.92Å; M27-C30 WeakPolarHBondContact O-CB 3.16Å; M27-C30 PolarHBondContact O-N 3.13Å; C30-T32 PolarHBondContact O-N 2.98Å; C30-V33 PolarHBondContact O-N 2.99Å; C30-V33 VanDerWaalsContact O-N 3.11Å; C30-T34 WeakPolarHBondContact O-CG2 3.03Å; C30-T34 PolarHBondContact O-N 2.93Å; C30-T34 PolarHBondContact O-OG1 3.01Å; C30-P40 HydrophobicContact CB-CG 4.37Å; C30-A46 HydrophobicContact CB-CB 4.14Å; C30-I50 HydrophobicContact CB-CD1 3.97Å; C30-I50 HydrophobicContact CB-CG1 3.85Å
31D87.2Confident84.9Confident59 Ų5970 Ų7032%0.31635%0.353SS..Hα-helixtrans-53.4-40.4176.8-84.7-1.1000113M27 L29 N35 R36M27-D31 PolarHBondContact O-N 3.46Å; M27-D31 VanDerWaalsContact O-N 3.09Å; L29-D31 PolarHBondContact O-N 3.46Å; D31-N35 CarbonylContact O-C 3.52Å; D31-N35 WeakPolarHBondContact O-CA 3.31Å; D31-N35 PolarHBondContact O-N 3.27Å; D31-R36 HydrophobicContact CB-CG 4.1Å; D31-R36 PolarHBondContact O-N 2.96Å
32T86.9Confident84.9Confident64 Ų6473.7 Ų73.739%0.39337%0.373SS..Hα-helixtrans-78.8-31.5-179.266.60000113.2A28 L29 C30 R63A28-T32 WeakPolarHBondContact O-CG2 3.28Å; A28-T32 PolarHBondContact O-N 3.27Å; L29-T32 PolarHBondContact O-N 3.14Å; L29-T32 VanDerWaalsContact O-N 3.13Å; L29-T32 PolarHBondContact O-OG1 3.06Å; C30-T32 PolarHBondContact O-N 2.98Å; T32-R63 PolarHBondContact O-NH1 2.88Å; T32-R63 PolarHBondContact OG1-NH1 3.2Å
33V86Confident84.9Confident10 Ų1071.2 Ų71.26%0.06136%0.355CS..Hα-helixtrans-80.1-39.5-178.4171.80000110.3L29 C30 N35 I50 L60L29-V33 HydrophobicContact CD1-CG2 3.85Å; L29-V33 HydrophobicContact CG-CG2 4.17Å; L29-V33 WeakPolarHBondContact O-CG2 3.43Å; L29-V33 PolarHBondContact O-N 3.23Å; C30-V33 PolarHBondContact O-N 2.99Å; C30-V33 VanDerWaalsContact O-N 3.11Å; V33-N35 VanDerWaalsContact C-N 3.32Å; V33-I50 HydrophobicContact CG1-CG2 4.46Å; V33-I50 HydrophobicContact CG2-CG2 4.47Å; V33-L60 HydrophobicContact CG2-CD1 4Å
34T84.8Confident84.8Confident1 Ų171.8 Ų71.81%0.00636%0.355CS..THydrogen-bonded Turntrans-86.3-1.6177.669.90000112.8C30 R36 L37 V38 A49 Y53C30-T34 WeakPolarHBondContact O-CG2 3.03Å; C30-T34 PolarHBondContact O-N 2.93Å; C30-T34 PolarHBondContact O-OG1 3.01Å; T34-R36 PolarHBondContact O-N 3.42Å; T34-R36 PolarHBondContact OG1-N 2.97Å; T34-L37 WeakPolarHBondContact O-CB 3.28Å; T34-L37 VanDerWaalsContact O-CD1 3.32Å; T34-L37 WeakPolarHBondContact O-CD1 3.48Å; T34-L37 WeakPolarHBondContact O-CG 3.12Å; T34-L37 PolarHBondContact O-N 3.16Å; T34-V38 HydrophobicContact CG2-CB 4.19Å; T34-V38 HydrophobicContact CG2-CG2 4.26Å; T34-A49 HydrophobicContact CG2-CB 4.16Å; T34-Y53 HydrophobicContact CG2-CD2 4.1Å; T34-Y53 HydrophobicContact CG2-CG 4.03Å
35N83.7Confident84.7Confident127 Ų12767.5 Ų67.568%0.67933%0.332SS*.THydrogen-bonded Turntrans50.236.4-169.9-64.6-46.4000112.6D31 V33 L37D31-N35 CarbonylContact O-C 3.52Å; D31-N35 WeakPolarHBondContact O-CA 3.31Å; D31-N35 PolarHBondContact O-N 3.27Å; V33-N35 VanDerWaalsContact C-N 3.32Å; N35-L37 PolarHBondContact O-N 2.8Å
36R82.4Confident84.6Confident196 Ų19665.3 Ų65.374%0.7432%0.322SS*.THydrogen-bonded Turntrans58.520.9-175.5-55.5177.7174.4174.2-1.3114.8D31 T34 V38D31-R36 HydrophobicContact CB-CG 4.1Å; D31-R36 PolarHBondContact O-N 2.96Å; T34-R36 PolarHBondContact O-N 3.42Å; T34-R36 PolarHBondContact OG1-N 2.97Å; R36-V38 PolarHBondContact O-N 3.34Å
37L75.1Confident84.4Confident135 Ų13565.7 Ų65.771%0.70733%0.325SS*.SBendtrans-70-21.8172.7-75.4156.9000112.2T34 N35T34-L37 WeakPolarHBondContact O-CB 3.28Å; T34-L37 VanDerWaalsContact O-CD1 3.32Å; T34-L37 WeakPolarHBondContact O-CD1 3.48Å; T34-L37 WeakPolarHBondContact O-CG 3.12Å; T34-L37 PolarHBondContact O-N 3.16Å; N35-L37 PolarHBondContact O-N 2.8Å
38V79.8Confident84.3Confident34 Ų3468.8 Ų68.821%0.20633%0.333CS..  trans-128.2133.6-177.3-172.30000109.2T34 R36 A49 Y53T34-V38 HydrophobicContact CG2-CB 4.19Å; T34-V38 HydrophobicContact CG2-CG2 4.26Å; R36-V38 PolarHBondContact O-N 3.34Å; V38-A49 HydrophobicContact CG1-CB 4.33Å; V38-Y53 HydrophobicContact CG2-CE1 4.35Å; V38-Y53 HydrophobicContact CG2-CE2 3.73Å; V38-Y53 WeakPolarHBondContact CG2-OH 3.32Å
39Q80.8Confident84.1Confident175 Ų17567.9 Ų67.982%0.81833%0.325SS*.  trans-105.9105.5171.1-70.4-170.9-1.100108.8
40P82.3Confident84Confident17 Ų1767.9 Ų67.911%0.1133%0.325CS..  trans-72.4134.1179.628.8-33.9000111.2M27 C30 D45 A46M27-P40 HydrophobicContact CE-CG 4Å; M27-P40 HydrophobicContact SD-CB 4.42Å; M27-P40 HydrophobicContact SD-CG 3.76Å; C30-P40 HydrophobicContact CB-CG 4.37Å; P40-D45 HydrophobicContact CB-CB 4.26Å; P40-A46 VanDerWaalsContact CB-CA 3.5Å; P40-A46 HydrophobicContact CB-CB 3.61Å; P40-A46 HydrophobicContact CG-CB 3.71Å
41E77.3Confident83.9Confident186 Ų18668.5 Ų68.587%0.86933%0.328SS*.SBendtrans-76.7-34177.4-65.9-176.217500112.1
42D83.7Confident83.8Confident79 Ų7970.5 Ų70.542%0.42234%0.343SS..SBendtrans-140.3168.9-178.572.747.2000111.8Q44 D45 A46D42-Q44 VanDerWaalsContact C-N 3.28Å; D42-Q44 PolarHBondContact O-N 2.96Å; D42-Q44 WeakPolarHBondContact OD1-CA 3.37Å; D42-Q44 WeakPolarHBondContact OD1-CB 3.34Å; D42-Q44 PolarHBondContact OD1-N 2.81Å; D42-D45 WeakPolarHBondContact O-CB 3.44Å; D42-D45 PolarHBondContact O-N 2.81Å; D42-D45 PolarHBondContact OD1-N 2.86Å; D42-A46 PolarHBondContact O-N 2.85Å
43R88.1Confident83.6Confident63 Ų6372.8 Ų72.824%0.23835%0.345CS..Hα-helixtrans-58.3-38.3-179-179.1-178.7164.583.1-2.6112.9L18 G19 L21 D22 N23 I26 D45 A46 V47L18-R43 PolarHBondContact O-NH2 2.96Å; G19-R43 PolarHBondContact O-NH2 2.74Å; G19-R43 VanDerWaalsContact O-NH2 3.15Å; L21-R43 PolarHBondContact O-NH1 2.89Å; L21-R43 PolarHBondContact O-NH2 2.94Å; D22-R43 VanDerWaalsContact C-NH1 3.31Å; D22-R43 PolarHBondContact O-NH1 3.34Å; N23-R43 WeakPolarHBondContact OD1-CB 3.27Å; I26-R43 HydrophobicContact CG2-CG 4.31Å; R43-D45 VanDerWaalsContact C-N 3.33Å; R43-A46 PolarHBondContact O-N 3Å; R43-V47 WeakPolarHBondContact O-CG2 3.45Å; R43-V47 PolarHBondContact O-N 3.48Å
44Q84.5Confident83.6Confident92 Ų9272.6 Ų72.643%0.4334%0.344SS..Hα-helixtrans-71.6-35.1-178.4-65.2-61.3-38.300110.7D42 V47 R48D42-Q44 VanDerWaalsContact C-N 3.28Å; D42-Q44 PolarHBondContact O-N 2.96Å; D42-Q44 WeakPolarHBondContact OD1-CA 3.37Å; D42-Q44 WeakPolarHBondContact OD1-CB 3.34Å; D42-Q44 PolarHBondContact OD1-N 2.81Å; Q44-V47 PolarHBondContact O-N 2.79Å; Q44-R48 WeakPolarHBondContact O-CG 3.42Å; Q44-R48 PolarHBondContact O-N 2.76Å
45D83.9Confident83.4Confident45 Ų4579 Ų7924%0.24137%0.374CS..Hα-helixtrans-66-41.6173.7-157.248.6000111.9P40 D42 R43 V47 R48 A49P40-D45 HydrophobicContact CB-CB 4.26Å; D42-D45 WeakPolarHBondContact O-CB 3.44Å; D42-D45 PolarHBondContact O-N 2.81Å; D42-D45 PolarHBondContact OD1-N 2.86Å; R43-D45 VanDerWaalsContact C-N 3.33Å; D45-V47 PolarHBondContact O-N 3.12Å; D45-R48 VanDerWaalsContact CA-NH2 3.28Å; D45-R48 VanDerWaalsContact CB-NH2 3.34Å; D45-R48 PolarHBondContact O-N 2.83Å; D45-R48 IonicContact OD1-CZ 3.55Å; D45-R48 IonicContact OD1-NE 2.72Å; D45-R48 PolarHBondContact OD1-NE 2.96Å; D45-R48 IonicContact OD1-NH2 3.33Å; D45-R48 PolarHBondContact OD1-NH2 2.81Å; D45-A49 WeakPolarHBondContact O-CB 3.19Å; D45-A49 PolarHBondContact O-N 2.76Å
46A86.6Confident83.5Confident0 Ų075.2 Ų75.20%036%0.357CS..Hα-helixtrans-59.4-4517200000112.1I26 M27 C30 P40 D42 R43 A49 I50I26-A46 HydrophobicContact CG2-CB 3.56Å; M27-A46 HydrophobicContact SD-CB 3.78Å; C30-A46 HydrophobicContact CB-CB 4.14Å; P40-A46 VanDerWaalsContact CB-CA 3.5Å; P40-A46 HydrophobicContact CB-CB 3.61Å; P40-A46 HydrophobicContact CG-CB 3.71Å; D42-A46 PolarHBondContact O-N 2.85Å; R43-A46 PolarHBondContact O-N 3Å; A46-A49 PolarHBondContact O-N 3.36Å; A46-I50 WeakPolarHBondContact O-CB 3.48Å; A46-I50 WeakPolarHBondContact O-CD1 3.17Å; A46-I50 WeakPolarHBondContact O-CG1 3.48Å; A46-I50 PolarHBondContact O-N 3.37Å
47V87.3Confident83.7Confident8 Ų866 Ų665%0.04832%0.323CS..Hα-helixtrans-63.2-43.7176.7171.50000111.3R15 L18 I26 R43 Q44 D45 I50 L51R15-V47 HydrophobicContact CG-CG1 4.22Å; L18-V47 HydrophobicContact CB-CG1 4.48Å; L18-V47 HydrophobicContact CB-CG2 4.42Å; L18-V47 HydrophobicContact CD1-CG1 4.17Å; I26-V47 HydrophobicContact CD1-CG2 4.28Å; I26-V47 HydrophobicContact CG2-CG2 4.07Å; R43-V47 WeakPolarHBondContact O-CG2 3.45Å; R43-V47 PolarHBondContact O-N 3.48Å; Q44-V47 PolarHBondContact O-N 2.79Å; D45-V47 PolarHBondContact O-N 3.12Å; V47-I50 PolarHBondContact O-N 3.5Å; V47-L51 HydrophobicContact CG1-CD1 4.09Å; V47-L51 VanDerWaalsContact O-CG 3.31Å; V47-L51 WeakPolarHBondContact O-CG 3.36Å; V47-L51 PolarHBondContact O-N 3.33Å
48R84.5Confident84.1Confident125 Ų12561.6 Ų61.647%0.47230%0.299SS..Hα-helixtrans-60.5-47.3175.8-74-174.2-59.8-97.24.7111.4Q44 D45 I50 L51 V52Q44-R48 WeakPolarHBondContact O-CG 3.42Å; Q44-R48 PolarHBondContact O-N 2.76Å; D45-R48 VanDerWaalsContact CA-NH2 3.28Å; D45-R48 VanDerWaalsContact CB-NH2 3.34Å; D45-R48 PolarHBondContact O-N 2.83Å; D45-R48 IonicContact OD1-CZ 3.55Å; D45-R48 IonicContact OD1-NE 2.72Å; D45-R48 PolarHBondContact OD1-NE 2.96Å; D45-R48 IonicContact OD1-NH2 3.33Å; D45-R48 PolarHBondContact OD1-NH2 2.81Å; R48-I50 PolarHBondContact O-N 3.04Å; R48-L51 PolarHBondContact O-N 3.34Å; R48-V52 VanDerWaalsContact O-CG2 3.31Å; R48-V52 WeakPolarHBondContact O-CG2 3.03Å; R48-V52 PolarHBondContact O-N 2.77Å
49A82.3Confident84.6Confident9 Ų962.7 Ų62.77%0.07430%0.301CS..Hα-helixtrans-60.9-43.717800000111.7T34 V38 D45 A46 L51 V52 Y53T34-A49 HydrophobicContact CG2-CB 4.16Å; V38-A49 HydrophobicContact CG1-CB 4.33Å; D45-A49 WeakPolarHBondContact O-CB 3.19Å; D45-A49 PolarHBondContact O-N 2.76Å; A46-A49 PolarHBondContact O-N 3.36Å; A49-L51 VanDerWaalsContact C-N 3.34Å; A49-L51 PolarHBondContact O-N 3.26Å; A49-V52 PolarHBondContact O-N 3.28Å; A49-Y53 WeakPolarHBondContact O-CB 3.3Å; A49-Y53 VanDerWaalsContact O-CD2 3.24Å; A49-Y53 WeakPolarHBondContact O-CD2 3.32Å; A49-Y53 PolarHBondContact O-N 3.21Å
50I88.6Confident84.9Confident0 Ų054.4 Ų54.40%026%0.263CS..Hα-helixtrans-57.4-46.9175.4-70.8161.4000111L18 I26 L29 C30 V33 A46 V47 R48 S54 L60L18-I50 HydrophobicContact CD1-CB 4.24Å; L18-I50 HydrophobicContact CD1-CG2 3.68Å; L18-I50 HydrophobicContact CD2-CG2 4.36Å; I26-I50 HydrophobicContact CD1-CD1 4.31Å; I26-I50 HydrophobicContact CG2-CD1 4.25Å; L29-I50 HydrophobicContact CB-CD1 4.18Å; L29-I50 HydrophobicContact CD2-CD1 4.16Å; L29-I50 HydrophobicContact CG-CD1 4.04Å; L29-I50 HydrophobicContact CG-CG1 4.49Å; C30-I50 HydrophobicContact CB-CD1 3.97Å; C30-I50 HydrophobicContact CB-CG1 3.85Å; V33-I50 HydrophobicContact CG1-CG2 4.46Å; V33-I50 HydrophobicContact CG2-CG2 4.47Å; A46-I50 WeakPolarHBondContact O-CB 3.48Å; A46-I50 WeakPolarHBondContact O-CD1 3.17Å; A46-I50 WeakPolarHBondContact O-CG1 3.48Å; A46-I50 PolarHBondContact O-N 3.37Å; V47-I50 PolarHBondContact O-N 3.5Å; R48-I50 PolarHBondContact O-N 3.04Å; I50-S54 VanDerWaalsContact O-CB 3.31Å; I50-S54 WeakPolarHBondContact O-CB 3.28Å; I50-S54 PolarHBondContact O-N 3.14Å; I50-S54 VanDerWaalsContact O-N 3.14Å; I50-S54 PolarHBondContact O-OG 3.4Å; I50-L60 HydrophobicContact CG2-CD1 3.55Å; I50-L60 HydrophobicContact CG2-CD2 4.05Å; I50-L60 HydrophobicContact CG2-CG 4.47Å
51L87.4Confident85.2Confident13 Ų1353.6 Ų53.67%0.06826%0.257CS..Hα-helixtrans-67.3-37.6-178-66.3171.2000112.6L6 M11 C14 R15 L18 V47 R48 A49L6-L51 HydrophobicContact CD1-CD2 3.93Å; M11-L51 HydrophobicContact CE-CB 3.83Å; M11-L51 HydrophobicContact CG-CB 4.32Å; M11-L51 HydrophobicContact CG-CD1 4.29Å; M11-L51 HydrophobicContact CG-CD2 4.38Å; C14-L51 HydrophobicContact CB-CD2 3.57Å; R15-L51 HydrophobicContact CB-CD1 3.83Å; R15-L51 HydrophobicContact CG-CD1 4.12Å; L18-L51 HydrophobicContact CD1-CD2 4.03Å; L18-L51 HydrophobicContact CD1-CG 4.27Å; V47-L51 HydrophobicContact CG1-CD1 4.09Å; V47-L51 VanDerWaalsContact O-CG 3.31Å; V47-L51 WeakPolarHBondContact O-CG 3.36Å; V47-L51 PolarHBondContact O-N 3.33Å; R48-L51 PolarHBondContact O-N 3.34Å; A49-L51 VanDerWaalsContact C-N 3.34Å; A49-L51 PolarHBondContact O-N 3.26Å
52V84.3Confident85.7Confident101 Ų10150.8 Ų50.861%0.61224%0.239SC*.Hα-helixtrans-71.9-38.1-179.6170.90000112.1R48 A49R48-V52 VanDerWaalsContact O-CG2 3.31Å; R48-V52 WeakPolarHBondContact O-CG2 3.03Å; R48-V52 PolarHBondContact O-N 2.77Å; A49-V52 PolarHBondContact O-N 3.28Å
53Y81.9Confident85.8Confident113 Ų11350 Ų5044%0.44323%0.23SC..Hα-helixtrans-92.4-3.1-175.6-74.3-101.4000113.8T34 V38 A49T34-Y53 HydrophobicContact CG2-CD2 4.1Å; T34-Y53 HydrophobicContact CG2-CG 4.03Å; V38-Y53 HydrophobicContact CG2-CE1 4.35Å; V38-Y53 HydrophobicContact CG2-CE2 3.73Å; V38-Y53 WeakPolarHBondContact CG2-OH 3.32Å; A49-Y53 WeakPolarHBondContact O-CB 3.3Å; A49-Y53 VanDerWaalsContact O-CD2 3.24Å; A49-Y53 WeakPolarHBondContact O-CD2 3.32Å; A49-Y53 PolarHBondContact O-N 3.21Å
54S86.6Confident85.3Confident6 Ų657.5 Ų57.54%0.04226%0.259CS..  trans-80.7128.2176-680000111.8I50I50-S54 VanDerWaalsContact O-CB 3.31Å; I50-S54 WeakPolarHBondContact O-CB 3.28Å; I50-S54 PolarHBondContact O-N 3.14Å; I50-S54 VanDerWaalsContact O-N 3.14Å; I50-S54 PolarHBondContact O-OG 3.4Å
55Q81.2Confident85.4Confident135 Ų13557.1 Ų57.163%0.63126%0.255SS*.SBendtrans-81.7-29.5-179.3-57.9179.715.800112.7E59Q55-E59 WeakPolarHBondContact CB-OE2 3.39Å
56S84.6Confident85.6Confident48 Ų4855 Ų5534%0.33624%0.244SC..  trans-154.6156.617569.20000111.9L6 E58 E59 L60L6-S56 VanDerWaalsContact CD2-C 3.49Å; S56-E58 VanDerWaalsContact C-N 3.26Å; S56-E58 PolarHBondContact O-N 2.77Å; S56-E59 PolarHBondContact O-N 2.88Å; S56-E59 WeakPolarHBondContact OG-CB 3.23Å; S56-E59 PolarHBondContact OG-N 2.99Å; S56-E59 VanDerWaalsContact OG-N 3.17Å; S56-L60 PolarHBondContact O-N 2.85Å
57A86.2Confident85.5Confident1 Ų158.8 Ų58.81%0.00826%0.262CS..Hα-helixtrans-65.8-34.5177.900000111.3L6 E10 L60 L61 W99L6-A57 HydrophobicContact CD2-CB 3.75Å; E10-A57 HydrophobicContact CB-CB 4.28Å; E10-A57 HydrophobicContact CG-CB 4.3Å; A57-L60 PolarHBondContact O-N 3.08Å; A57-L61 WeakPolarHBondContact O-CB 3.46Å; A57-L61 WeakPolarHBondContact O-CG 3.5Å; A57-L61 PolarHBondContact O-N 2.83Å; A57-W99 HydrophobicContact CB-CE3 4.39Å; A57-W99 HydrophobicContact CB-CZ3 3.73Å
58E84.9Confident85.5Confident43 Ų4361.2 Ų61.220%0.20127%0.27CS..Hα-helixtrans-63.8-43.6177.6-173.4172.3165.100112.6S56 R62 I92 K96S56-E58 VanDerWaalsContact C-N 3.26Å; S56-E58 PolarHBondContact O-N 2.77Å; E58-R62 WeakPolarHBondContact O-CB 3.47Å; E58-R62 WeakPolarHBondContact O-CG 3.48Å; E58-R62 PolarHBondContact O-N 2.86Å; E58-R62 IonicContact OE1-CZ 2.66Å; E58-R62 IonicContact OE1-NH1 3.49Å; E58-R62 PolarHBondContact OE1-NH1 3.05Å; E58-R62 IonicContact OE1-NH2 2.75Å; E58-R62 PolarHBondContact OE1-NH2 3.13Å; E58-I92 HydrophobicContact CB-CG2 4.32Å; E58-I92 HydrophobicContact CG-CG2 4.01Å; E58-K96 HydrophobicContact CB-CD 4.16Å; E58-K96 IonicContact OE2-NZ 2.86Å; E58-K96 PolarHBondContact OE2-NZ 2.94Å
59E88.9Confident85.2Confident57 Ų5760.1 Ų60.127%0.26627%0.27SS..Hα-helixtrans-61.4-47.9176.3-170.6-148.615200110.9Q55 S56 L61 R62 R63Q55-E59 WeakPolarHBondContact CB-OE2 3.39Å; S56-E59 PolarHBondContact O-N 2.88Å; S56-E59 WeakPolarHBondContact OG-CB 3.23Å; S56-E59 PolarHBondContact OG-N 2.99Å; S56-E59 VanDerWaalsContact OG-N 3.17Å; E59-L61 PolarHBondContact O-N 3.33Å; E59-R62 PolarHBondContact O-N 3.48Å; E59-R63 PolarHBondContact O-N 3.46Å; E59-R63 IonicContact OE1-CZ 3.97Å; E59-R63 IonicContact OE1-NE 3.22Å; E59-R63 IonicContact OE1-NH2 2.79Å; E59-R63 PolarHBondContact OE1-NH2 3.44Å
60L88.5Confident85.4Confident1 Ų160.6 Ų60.61%0.00527%0.272CS..Hα-helixtrans-59.5-49.1180177.959.7000111.3C14 L18 L29 V33 I50 S56 A57 R62 R63C14-L60 HydrophobicContact CB-CD2 4.03Å; L18-L60 HydrophobicContact CD1-CD2 4.46Å; L29-L60 HydrophobicContact CD1-CD1 4.31Å; L29-L60 HydrophobicContact CD2-CD1 4.18Å; L29-L60 HydrophobicContact CG-CD1 4.45Å; V33-L60 HydrophobicContact CG2-CD1 4Å; I50-L60 HydrophobicContact CG2-CD1 3.55Å; I50-L60 HydrophobicContact CG2-CD2 4.05Å; I50-L60 HydrophobicContact CG2-CG 4.47Å; S56-L60 PolarHBondContact O-N 2.85Å; A57-L60 PolarHBondContact O-N 3.08Å; L60-R62 VanDerWaalsContact C-N 3.29Å; L60-R62 PolarHBondContact O-N 3.05Å; L60-R63 WeakPolarHBondContact O-CB 3.49Å; L60-R63 WeakPolarHBondContact O-CG 3.29Å; L60-R63 PolarHBondContact O-N 3.02Å
61L88.8Confident85.1Confident0 Ų060.6 Ų60.60%027%0.272CS..Hα-helixtrans-71.7-22.2-177.9-60.9-179.3000113.2L17 A57 E59 R63 V66 I71 K88 I92 A95 W99L17-L61 HydrophobicContact CD1-CD2 3.53Å; L17-L61 HydrophobicContact CD2-CD2 3.68Å; L17-L61 HydrophobicContact CG-CD2 4.23Å; A57-L61 WeakPolarHBondContact O-CB 3.46Å; A57-L61 WeakPolarHBondContact O-CG 3.5Å; A57-L61 PolarHBondContact O-N 2.83Å; E59-L61 PolarHBondContact O-N 3.33Å; L61-R63 VanDerWaalsContact C-N 3.31Å; L61-V66 HydrophobicContact CD2-CG1 3.92Å; L61-I71 HydrophobicContact CB-CD1 4.02Å; L61-I71 HydrophobicContact CD2-CG1 4.38Å; L61-K88 WeakPolarHBondContact O-CE 3.3Å; L61-K88 PolarHBondContact O-NZ 2.85Å; L61-K88 VanDerWaalsContact O-NZ 3.13Å; L61-I92 HydrophobicContact CB-CD1 3.87Å; L61-I92 HydrophobicContact CB-CG1 3.69Å; L61-I92 HydrophobicContact CB-CG2 4.36Å; L61-I92 HydrophobicContact CD1-CG1 4.21Å; L61-I92 HydrophobicContact CD1-CG2 4.22Å; L61-A95 HydrophobicContact CD1-CB 4.31Å; L61-W99 HydrophobicContact CD1-CH2 3.94Å; L61-W99 HydrophobicContact CD1-CZ3 4.19Å
62R88.1Confident84.5Confident128 Ų12862.6 Ų62.648%0.48328%0.28SS..Hα-helixtrans-71.1-23.9172.5-84.1-174.4175.2130.29.1113.1E58 E59 L60 K88 H89 I92E58-R62 WeakPolarHBondContact O-CB 3.47Å; E58-R62 WeakPolarHBondContact O-CG 3.48Å; E58-R62 PolarHBondContact O-N 2.86Å; E58-R62 IonicContact OE1-CZ 2.66Å; E58-R62 IonicContact OE1-NH1 3.49Å; E58-R62 PolarHBondContact OE1-NH1 3.05Å; E58-R62 IonicContact OE1-NH2 2.75Å; E58-R62 PolarHBondContact OE1-NH2 3.13Å; E59-R62 PolarHBondContact O-N 3.48Å; L60-R62 VanDerWaalsContact C-N 3.29Å; L60-R62 PolarHBondContact O-N 3.05Å; R62-K88 PolarHBondContact O-NZ 2.69Å; R62-H89 PolarHBondContact NH2-CE1 3.01Å; R62-H89 PolarHBondContact NH2-ND1 3.36Å; R62-I92 HydrophobicContact CG-CD1 3.81Å
63R84.7Confident84.3Confident62 Ų6263.4 Ų63.423%0.23428%0.275CS..SBendtrans-54.3146-178.3-63.1-62.5-176110.4-6.5111.6L29 T32 E59 L60 L61 K65 V66 K88L29-R63 HydrophobicContact CD1-CB 3.77Å; L29-R63 HydrophobicContact CD1-CG 4.05Å; T32-R63 PolarHBondContact O-NH1 2.88Å; T32-R63 PolarHBondContact OG1-NH1 3.2Å; E59-R63 PolarHBondContact O-N 3.46Å; E59-R63 IonicContact OE1-CZ 3.97Å; E59-R63 IonicContact OE1-NE 3.22Å; E59-R63 IonicContact OE1-NH2 2.79Å; E59-R63 PolarHBondContact OE1-NH2 3.44Å; L60-R63 WeakPolarHBondContact O-CB 3.49Å; L60-R63 WeakPolarHBondContact O-CG 3.29Å; L60-R63 PolarHBondContact O-N 3.02Å; L61-R63 VanDerWaalsContact C-N 3.31Å; R63-K65 VanDerWaalsContact C-N 3.25Å; R63-K65 PolarHBondContact O-N 3.38Å; R63-V66 PolarHBondContact O-N 3.44Å; R63-K88 PolarHBondContact O-NZ 3.39Å
64R78.6Confident84.6Confident221 Ų22158.1 Ų58.183%0.83426%0.255SS*.THydrogen-bonded Turntrans-59.4-33.9-172.5-173.8177178-174.90.3113.3V66R64-V66 VanDerWaalsContact C-N 3.32Å
65K86.6Confident84.1Confident84 Ų8457.9 Ų57.937%0.36525%0.253SS..THydrogen-bonded Turntrans-73.9-21.9179.8-66.3-63.2-173.1170.40113.6L21 A28 L29 R63 H67L21-K65 WeakPolarHBondContact CD2-O 3.3Å; A28-K65 HydrophobicContact CB-CD 4.47Å; L29-K65 HydrophobicContact CB-CB 4.24Å; L29-K65 HydrophobicContact CD1-CB 4.32Å; R63-K65 VanDerWaalsContact C-N 3.25Å; R63-K65 PolarHBondContact O-N 3.38Å; K65-H67 PolarHBondContact O-CD2 2.98Å; K65-H67 PolarHBondContact O-N 2.83Å
66V87.1Confident83.5Confident0 Ų054.1 Ų54.10%025%0.245CC..SBendtrans-85.191.7171.1-174.60000107.5L17 L21 L29 L61 R63 R64 I71 K88L17-V66 HydrophobicContact CD2-CG1 3.91Å; L21-V66 HydrophobicContact CD1-CG2 4.44Å; L29-V66 HydrophobicContact CD1-CG2 4.46Å; L29-V66 HydrophobicContact CD2-CG2 3.86Å; L61-V66 HydrophobicContact CD2-CG1 3.92Å; R63-V66 PolarHBondContact O-N 3.44Å; R64-V66 VanDerWaalsContact C-N 3.32Å; V66-I71 HydrophobicContact CG1-CD1 3.95Å; V66-I71 HydrophobicContact CG1-CG1 3.67Å; V66-K88 WeakPolarHBondContact O-CE 3.4Å; V66-K88 PolarHBondContact O-NZ 3.03Å
67H83.8Confident82.9Confident80 Ų8055.9 Ų55.937%0.3725%0.254SS..  trans-69.8154.8-179.9-72.1-75.6000111.6K65 E69 V70 I71K65-H67 PolarHBondContact O-CD2 2.98Å; K65-H67 PolarHBondContact O-N 2.83Å; H67-E69 PolarHBondContact O-N 3.04Å; H67-V70 HydrophobicContact CB-CG2 4.13Å; H67-V70 WeakPolarHBondContact O-CB 3.43Å; H67-V70 PolarHBondContact O-N 3.17Å; H67-I71 PolarHBondContact O-N 2.86Å
68R87.6Confident82.2Confident59 Ų5958.6 Ų58.622%0.22327%0.266CS..Hα-helixtrans-55.4-40.9179-174.5-164.381.290.2-0.4110.5V70 I71 F72 P84 T86 K88 L91R68-V70 VanDerWaalsContact C-N 3.26Å; R68-V70 PolarHBondContact O-N 3.12Å; R68-I71 PolarHBondContact O-N 3.46Å; R68-F72 WeakPolarHBondContact O-CB 3.49Å; R68-F72 PolarHBondContact O-N 2.88Å; R68-P84 PolarHBondContact NH1-O 3.26Å; R68-P84 PolarHBondContact NH2-O 2.9Å; R68-T86 PolarHBondContact NH1-O 2.86Å; R68-K88 HydrophobicContact CB-CB 4.11Å; R68-K88 HydrophobicContact CB-CG 4.25Å; R68-K88 HydrophobicContact CG-CB 3.95Å; R68-K88 HydrophobicContact CG-CG 4.45Å; R68-L91 HydrophobicContact CG-CD1 3.4Å; R68-L91 VanDerWaalsContact CG-CD1 3.4Å; R68-L91 WeakPolarHBondContact O-CD1 3.27Å
69E79.6Confident80.8Confident102 Ų10259.5 Ų59.548%0.47729%0.287SS..Hα-helixtrans-62.2-32.4-179.8-67.861.5-132.500111.9H67 K73H67-E69 PolarHBondContact O-N 3.04Å; E69-K73 WeakPolarHBondContact O-CB 3.45Å; E69-K73 PolarHBondContact O-N 3.11Å
70V84.6Confident79.5Confident19 Ų1958.7 Ų58.712%0.11528%0.284CS..Hα-helixtrans-71.7-44178.31790000110.4L17 L20 L21 H67 R68 F72 K73 Y74L17-V70 HydrophobicContact CD2-CG1 3.93Å; L17-V70 HydrophobicContact CG-CG1 4.3Å; L20-V70 HydrophobicContact CB-CG1 4.09Å; L21-V70 HydrophobicContact CD2-CB 4.34Å; L21-V70 HydrophobicContact CD2-CG1 3.93Å; L21-V70 HydrophobicContact CD2-CG2 3.7Å; L21-V70 HydrophobicContact CG-CG1 4.12Å; H67-V70 HydrophobicContact CB-CG2 4.13Å; H67-V70 WeakPolarHBondContact O-CB 3.43Å; H67-V70 PolarHBondContact O-N 3.17Å; R68-V70 VanDerWaalsContact C-N 3.26Å; R68-V70 PolarHBondContact O-N 3.12Å; V70-F72 VanDerWaalsContact C-N 3.35Å; V70-K73 PolarHBondContact O-N 2.54Å; V70-Y74 WeakPolarHBondContact O-CB 3.43Å; V70-Y74 PolarHBondContact O-N 2.99Å
71I84.1Confident78.1Confident0 Ų066.8 Ų66.80%033%0.326CS..Hα-helixtrans-66.2-42.1175.9-51.6170.5000110L17 L61 V66 H67 R68 Y74 L75 K88 L91 I92L17-I71 HydrophobicContact CD1-CB 4.37Å; L17-I71 HydrophobicContact CD1-CG1 4.18Å; L17-I71 HydrophobicContact CD1-CG2 4.33Å; L61-I71 HydrophobicContact CB-CD1 4.02Å; L61-I71 HydrophobicContact CD2-CG1 4.38Å; V66-I71 HydrophobicContact CG1-CD1 3.95Å; V66-I71 HydrophobicContact CG1-CG1 3.67Å; H67-I71 PolarHBondContact O-N 2.86Å; R68-I71 PolarHBondContact O-N 3.46Å; I71-Y74 PolarHBondContact O-N 3.36Å; I71-L75 HydrophobicContact CG2-CD1 3.91Å; I71-L75 VanDerWaalsContact O-CG 3.31Å; I71-L75 WeakPolarHBondContact O-CG 3.45Å; I71-L75 PolarHBondContact O-N 2.91Å; I71-K88 HydrophobicContact CD1-CG 4.06Å; I71-L91 HydrophobicContact CB-CB 4.29Å; I71-L91 HydrophobicContact CB-CD1 4.42Å; I71-L91 HydrophobicContact CG2-CB 3.73Å; I71-I92 HydrophobicContact CD1-CD1 4.24Å; I71-I92 HydrophobicContact CD1-CG1 3.7Å
72F74.3Confident76.7Confident54 Ų5467.4 Ų67.424%0.23733%0.329CS..Hα-helixtrans-59.6-49.6175.4-176.4-98000111.8R68 V70 Y74 L75 A76 I82 P83 P84 L91R68-F72 WeakPolarHBondContact O-CB 3.49Å; R68-F72 PolarHBondContact O-N 2.88Å; V70-F72 VanDerWaalsContact C-N 3.35Å; F72-Y74 VanDerWaalsContact C-N 3.33Å; F72-Y74 PolarHBondContact O-N 2.93Å; F72-L75 PolarHBondContact O-N 2.7Å; F72-A76 WeakPolarHBondContact O-CB 3Å; F72-A76 PolarHBondContact O-N 3.43Å; F72-I82 HydrophobicContact CE2-CB 4.35Å; F72-I82 WeakPolarHBondContact CE2-O 3.41Å; F72-P83 WeakPolarHBondContact CE2-O 3.26Å; F72-P84 HydrophobicContact CE2-CB 4.46Å; F72-P84 HydrophobicContact CZ-CB 4.14Å; F72-P84 HydrophobicContact CZ-CG 4Å; F72-L91 HydrophobicContact CB-CD1 3.84Å; F72-L91 HydrophobicContact CD2-CD1 4.39Å; F72-L91 HydrophobicContact CD2-CD2 4.07Å
73K80.1Confident75.1Confident118 Ų11865 Ų6551%0.51333%0.33SS..Hα-helixtrans-60.3-43.8176.8-175.5179.6-179.8-175.70110.9L20 E69 V70 A76 T77L20-K73 HydrophobicContact CD1-CB 4.27Å; L20-K73 HydrophobicContact CD1-CD 4.26Å; L20-K73 HydrophobicContact CD1-CG 4.09Å; L20-K73 HydrophobicContact CD2-CD 4.45Å; E69-K73 WeakPolarHBondContact O-CB 3.45Å; E69-K73 PolarHBondContact O-N 3.11Å; V70-K73 PolarHBondContact O-N 2.54Å; K73-A76 PolarHBondContact O-N 2.75Å; K73-T77 WeakPolarHBondContact O-CG2 3.03Å; K73-T77 PolarHBondContact O-N 3.14Å
74Y87.1Confident73.6Confident3 Ų364.8 Ų64.81%0.01234%0.337CS..Hα-helixtrans-57.8-51.7175.4173.6-101.3000111.6G13 N16 L17 V70 I71 F72 A76 T77 Q78 W99G13-Y74 WeakPolarHBondContact CA-OH 3.38Å; N16-Y74 HydrophobicContact CB-CD2 4.38Å; N16-Y74 HydrophobicContact CB-CE2 3.67Å; L17-Y74 HydrophobicContact CB-CD1 4.33Å; L17-Y74 HydrophobicContact CB-CD2 3.72Å; L17-Y74 HydrophobicContact CB-CE2 4.26Å; L17-Y74 HydrophobicContact CB-CG 3.78Å; L17-Y74 HydrophobicContact CD1-CD1 3.81Å; L17-Y74 HydrophobicContact CD1-CG 3.78Å; L17-Y74 HydrophobicContact CG-CD1 4.48Å; L17-Y74 HydrophobicContact CG-CD2 4.37Å; L17-Y74 HydrophobicContact CG-CG 3.98Å; V70-Y74 WeakPolarHBondContact O-CB 3.43Å; V70-Y74 PolarHBondContact O-N 2.99Å; I71-Y74 PolarHBondContact O-N 3.36Å; F72-Y74 VanDerWaalsContact C-N 3.33Å; F72-Y74 PolarHBondContact O-N 2.93Å; Y74-A76 VanDerWaalsContact C-N 3.26Å; Y74-A76 PolarHBondContact O-N 3.2Å; Y74-T77 WeakPolarHBondContact O-CA 3.42Å; Y74-T77 PolarHBondContact O-N 3.37Å; Y74-T77 PolarHBondContact O-OG1 3.43Å; Y74-Q78 HydrophobicContact CD1-CG 4.4Å; Y74-Q78 HydrophobicContact CD2-CG 4.41Å; Y74-Q78 HydrophobicContact CE1-CG 3.85Å; Y74-Q78 HydrophobicContact CE2-CG 3.84Å; Y74-Q78 WeakPolarHBondContact O-CG 3.3Å; Y74-Q78 PolarHBondContact O-N 3.22Å; Y74-W99 HydrophobicContact CD1-CZ2 4.31Å; Y74-W99 AromaticContact CE1-CE2 3.81Å; Y74-W99 AromaticContact CE1-CZ2 3.51Å; Y74-W99 HydrophobicContact CE1-CZ2 3.51Å; Y74-W99 AromaticContact CE1-NE1 3.6Å; Y74-W99 AromaticContact CZ-CZ2 3.92Å; Y74-W99 AromaticContact CZ-NE1 3.61Å; Y74-W99 PolarHBondContact OH-NE1 2.85Å
75L77.7Confident72.6Confident1 Ų158.7 Ų58.71%0.00533%0.333CS..Hα-helixtrans-61.8-37.3-179.2-68.1163.3000111.9I71 F72 Q78 G79 I80 I82 L91 H94 A95I71-L75 HydrophobicContact CG2-CD1 3.91Å; I71-L75 VanDerWaalsContact O-CG 3.31Å; I71-L75 WeakPolarHBondContact O-CG 3.45Å; I71-L75 PolarHBondContact O-N 2.91Å; F72-L75 PolarHBondContact O-N 2.7Å; L75-Q78 CarbonylContact O-C 3.59Å; L75-Q78 PolarHBondContact O-N 3.42Å; L75-G79 PolarHBondContact O-N 2.79Å; L75-I80 CarbonylContact C-O 3.59Å; L75-I80 HydrophobicContact CB-CB 4.34Å; L75-I80 HydrophobicContact CD2-CD1 3.74Å; L75-I80 WeakPolarHBondContact O-CB 3.36Å; L75-I80 PolarHBondContact O-N 2.74Å; L75-I82 HydrophobicContact CB-CD1 3.66Å; L75-I82 HydrophobicContact CD1-CD1 3.29Å; L75-I82 HydrophobicContact CD2-CD1 4.37Å; L75-I82 HydrophobicContact CG-CD1 3.91Å; L75-L91 HydrophobicContact CD1-CB 4.23Å; L75-L91 HydrophobicContact CD1-CD2 4.32Å; L75-L91 VanDerWaalsContact CD1-O 3.32Å; L75-L91 WeakPolarHBondContact CD1-O 3.13Å; L75-H94 HydrophobicContact CD1-CB 4.18Å; L75-A95 HydrophobicContact CD1-CB 4.32Å; L75-A95 HydrophobicContact CD2-CB 3.85Å; L75-A95 HydrophobicContact CG-CB 4.46Å
76A66.9Low71.5Confident56 Ų5655.6 Ų55.646%0.46332%0.322SS..Hα-helixtrans-62.8-41.6171.500000112.6F72 K73 Y74 Q78 G79F72-A76 WeakPolarHBondContact O-CB 3Å; F72-A76 PolarHBondContact O-N 3.43Å; K73-A76 PolarHBondContact O-N 2.75Å; Y74-A76 VanDerWaalsContact C-N 3.26Å; Y74-A76 PolarHBondContact O-N 3.2Å; A76-Q78 PolarHBondContact O-N 2.85Å; A76-G79 PolarHBondContact O-N 2.77Å
77T71.9Confident70.8Confident85 Ų8562.1 Ų62.152%0.52135%0.352SS..Hα-helixtrans-64.1-25.3174.462.70000113.2K73 Y74 G79K73-T77 WeakPolarHBondContact O-CG2 3.03Å; K73-T77 PolarHBondContact O-N 3.14Å; Y74-T77 WeakPolarHBondContact O-CA 3.42Å; Y74-T77 PolarHBondContact O-N 3.37Å; Y74-T77 PolarHBondContact O-OG1 3.43Å; T77-G79 VanDerWaalsContact C-N 3.26Å
78Q71.6Confident70.8Confident57 Ų5760.9 Ų60.927%0.26635%0.345SS..THydrogen-bonded Turntrans-86.55.3175-58-52.3-63.600113Y74 L75 A76 I80 Y98Y74-Q78 HydrophobicContact CD1-CG 4.4Å; Y74-Q78 HydrophobicContact CD2-CG 4.41Å; Y74-Q78 HydrophobicContact CE1-CG 3.85Å; Y74-Q78 HydrophobicContact CE2-CG 3.84Å; Y74-Q78 WeakPolarHBondContact O-CG 3.3Å; Y74-Q78 PolarHBondContact O-N 3.22Å; L75-Q78 CarbonylContact O-C 3.59Å; L75-Q78 PolarHBondContact O-N 3.42Å; A76-Q78 PolarHBondContact O-N 2.85Å; Q78-I80 HydrophobicContact CB-CD1 4.42Å; Q78-I80 HydrophobicContact CB-CG1 4.32Å; Q78-Y98 HydrophobicContact CB-CD1 4.47Å; Q78-Y98 HydrophobicContact CB-CE1 3.75Å; Q78-Y98 HydrophobicContact CB-CE2 4.44Å; Q78-Y98 HydrophobicContact CG-CD1 4.49Å; Q78-Y98 HydrophobicContact CG-CE1 3.78Å; Q78-Y98 PolarHBondContact OE1-OH 2.82Å
79G56.6Low70.3Confident62 Ų6262.6 Ų62.664%0.63936%0.356SS*.THydrogen-bonded Turntrans79.812.3179.300000114.8L75 A76 T77L75-G79 PolarHBondContact O-N 2.79Å; A76-G79 PolarHBondContact O-N 2.77Å; T77-G79 VanDerWaalsContact C-N 3.26Å
80I62.1Low69.9Low41 Ų4161.4 Ų61.421%0.2135%0.353CS..  trans-93.6114.9-178.3-48.2177.6000109.2L75 Q78 I82 Y98L75-I80 CarbonylContact C-O 3.59Å; L75-I80 HydrophobicContact CB-CB 4.34Å; L75-I80 HydrophobicContact CD2-CD1 3.74Å; L75-I80 WeakPolarHBondContact O-CB 3.36Å; L75-I80 PolarHBondContact O-N 2.74Å; Q78-I80 HydrophobicContact CB-CD1 4.42Å; Q78-I80 HydrophobicContact CB-CG1 4.32Å; I80-I82 HydrophobicContact CG2-CD1 4Å; I80-I82 HydrophobicContact CG2-CG1 3.85Å; I80-I82 PolarHBondContact O-N 2.98Å; I80-Y98 VanDerWaalsContact CD1-CB 3.49Å; I80-Y98 HydrophobicContact CD1-CD1 3.96Å; I80-Y98 HydrophobicContact CD1-CD2 3.19Å; I80-Y98 HydrophobicContact CD1-CE2 3.81Å; I80-Y98 HydrophobicContact CD1-CG 3.26Å; I80-Y98 HydrophobicContact CG1-CD2 3.98Å; I80-Y98 HydrophobicContact CG1-CE2 4.19Å; I80-Y98 HydrophobicContact CG1-CG 4.44Å
81I57.6Low69.7Low170 Ų17060.5 Ų60.587%0.87235%0.347SS*.  trans-82.8115-179.9-55.1174.3000108.6
82I59.3Low69.9Low14 Ų1460.6 Ų60.67%0.07235%0.348CS..  trans-127142.4178.9-54.5176.7000108.6F72 L75 I80 T86 L91 H94F72-I82 HydrophobicContact CE2-CB 4.35Å; F72-I82 WeakPolarHBondContact CE2-O 3.41Å; L75-I82 HydrophobicContact CB-CD1 3.66Å; L75-I82 HydrophobicContact CD1-CD1 3.29Å; L75-I82 HydrophobicContact CD2-CD1 4.37Å; L75-I82 HydrophobicContact CG-CD1 3.91Å; I80-I82 HydrophobicContact CG2-CD1 4Å; I80-I82 HydrophobicContact CG2-CG1 3.85Å; I80-I82 PolarHBondContact O-N 2.98Å; I82-T86 HydrophobicContact CG2-CG2 3.75Å; I82-T86 WeakPolarHBondContact CG2-OG1 2.96Å; I82-L91 HydrophobicContact CB-CD2 4.26Å; I82-L91 HydrophobicContact CD1-CD2 4.1Å; I82-L91 HydrophobicContact CG2-CD2 3.51Å; I82-H94 HydrophobicContact CD1-CB 3.63Å
83P54.9Low70.2Confident78 Ų7861.4 Ų61.451%0.50635%0.352SS..  trans-58.1137.5176.6-25.832.8000112.7F72 A85 T86F72-P83 WeakPolarHBondContact CE2-O 3.26Å; P83-A85 PolarHBondContact O-N 3.36Å; P83-A85 VanDerWaalsContact O-N 3.15Å; P83-T86 WeakPolarHBondContact CB-OG1 3.33Å; P83-T86 WeakPolarHBondContact CD-OG1 3.48Å; P83-T86 WeakPolarHBondContact O-CB 3.22Å; P83-T86 PolarHBondContact O-N 3.43Å; P83-T86 PolarHBondContact O-OG1 2.81Å
84P54.5Low70.3Confident57 Ų5759.6 Ų59.637%0.3735%0.345SS..THydrogen-bonded Turntrans-63.7-18.9177-22.232.4000113.8R68 F72 T86R68-P84 PolarHBondContact NH1-O 3.26Å; R68-P84 PolarHBondContact NH2-O 2.9Å; F72-P84 HydrophobicContact CE2-CB 4.46Å; F72-P84 HydrophobicContact CZ-CB 4.14Å; F72-P84 HydrophobicContact CZ-CG 4Å; P84-T86 VanDerWaalsContact C-N 3.33Å
85A56.7Low70.3Confident92 Ų9259.4 Ų59.476%0.7635%0.345SS*.THydrogen-bonded Turntrans-84.5-5173.600000113.3P83 E87P83-A85 PolarHBondContact O-N 3.36Å; P83-A85 VanDerWaalsContact O-N 3.15Å; A85-E87 PolarHBondContact O-N 2.89Å; A85-E87 VanDerWaalsContact O-N 3.16Å
86T64.1Low70.9Confident20 Ų2061 Ų6112%0.12335%0.352CS..  trans-61.8120.5-178-62.40000110.5R68 I82 P83 P84 N90 L91R68-T86 PolarHBondContact NH1-O 2.86Å; I82-T86 HydrophobicContact CG2-CG2 3.75Å; I82-T86 WeakPolarHBondContact CG2-OG1 2.96Å; P83-T86 WeakPolarHBondContact CB-OG1 3.33Å; P83-T86 WeakPolarHBondContact CD-OG1 3.48Å; P83-T86 WeakPolarHBondContact O-CB 3.22Å; P83-T86 PolarHBondContact O-N 3.43Å; P83-T86 PolarHBondContact O-OG1 2.81Å; P84-T86 VanDerWaalsContact C-N 3.33Å; T86-N90 HydrophobicContact CG2-CB 3.44Å; T86-N90 VanDerWaalsContact CG2-CB 3.44Å; T86-L91 HydrophobicContact CG2-CD2 3.6Å; T86-L91 HydrophobicContact CG2-CG 3.98Å
87E71.9Confident71.7Confident136 Ų13660.6 Ų60.664%0.63634%0.342SS*.  trans-60.9151.9-179.1-63.2-177.3176.800111.9A85 H89 N90 L91A85-E87 PolarHBondContact O-N 2.89Å; A85-E87 VanDerWaalsContact O-N 3.16Å; E87-H89 PolarHBondContact O-N 3.28Å; E87-H89 VanDerWaalsContact O-N 3.11Å; E87-N90 PolarHBondContact O-N 3.32Å; E87-L91 PolarHBondContact O-N 3.44Å; E87-L91 VanDerWaalsContact O-N 3.1Å
88K84.1Confident72.2Confident54 Ų5458.8 Ų58.824%0.23533%0.326CS..Hα-helixtrans-52.2-39.2-175.9-171-179.2175.8-175.90113L61 R62 R63 V66 R68 I71 L91 I92L61-K88 WeakPolarHBondContact O-CE 3.3Å; L61-K88 PolarHBondContact O-NZ 2.85Å; L61-K88 VanDerWaalsContact O-NZ 3.13Å; R62-K88 PolarHBondContact O-NZ 2.69Å; R63-K88 PolarHBondContact O-NZ 3.39Å; V66-K88 WeakPolarHBondContact O-CE 3.4Å; V66-K88 PolarHBondContact O-NZ 3.03Å; R68-K88 HydrophobicContact CB-CB 4.11Å; R68-K88 HydrophobicContact CB-CG 4.25Å; R68-K88 HydrophobicContact CG-CB 3.95Å; R68-K88 HydrophobicContact CG-CG 4.45Å; I71-K88 HydrophobicContact CD1-CG 4.06Å; K88-L91 PolarHBondContact O-N 3.07Å; K88-I92 HydrophobicContact CG-CD1 4.25Å; K88-I92 VanDerWaalsContact O-CG1 3.26Å; K88-I92 WeakPolarHBondContact O-CG1 3.24Å; K88-I92 PolarHBondContact O-N 3.46Å; K88-I92 VanDerWaalsContact O-N 3.08Å
89H76.9Confident73Confident95 Ų9556.2 Ų56.244%0.4431%0.313SS..Hα-helixtrans-63.1-42.7178.6-179.653.8000112.7R62 E87 I92 Q93R62-H89 PolarHBondContact NH2-CE1 3.01Å; R62-H89 PolarHBondContact NH2-ND1 3.36Å; E87-H89 PolarHBondContact O-N 3.28Å; E87-H89 VanDerWaalsContact O-N 3.11Å; H89-I92 WeakPolarHBondContact O-CB 3.44Å; H89-I92 PolarHBondContact O-N 2.97Å; H89-Q93 PolarHBondContact O-N 2.91Å; H89-Q93 VanDerWaalsContact O-N 3.11Å
90N70.3Confident74.2Confident77 Ų7759.1 Ų59.141%0.41231%0.31SS..Hα-helixtrans-68.4-36.5177.6-70.1-40.4000111.9T86 E87 I92 Q93 H94T86-N90 HydrophobicContact CG2-CB 3.44Å; T86-N90 VanDerWaalsContact CG2-CB 3.44Å; E87-N90 PolarHBondContact O-N 3.32Å; N90-I92 VanDerWaalsContact C-N 3.34Å; N90-I92 PolarHBondContact O-N 3.19Å; N90-Q93 PolarHBondContact O-N 3.07Å; N90-H94 PolarHBondContact O-CD2 2.92Å; N90-H94 PolarHBondContact O-N 3.1Å
91L81.3Confident74.7Confident0 Ų063.1 Ų63.10%033%0.326CS..Hα-helixtrans-61.6-41.7172.9-62.9-177000112.4R68 I71 F72 L75 I82 T86 E87 K88 Q93 H94 A95R68-L91 HydrophobicContact CG-CD1 3.4Å; R68-L91 VanDerWaalsContact CG-CD1 3.4Å; R68-L91 WeakPolarHBondContact O-CD1 3.27Å; I71-L91 HydrophobicContact CB-CB 4.29Å; I71-L91 HydrophobicContact CB-CD1 4.42Å; I71-L91 HydrophobicContact CG2-CB 3.73Å; F72-L91 HydrophobicContact CB-CD1 3.84Å; F72-L91 HydrophobicContact CD2-CD1 4.39Å; F72-L91 HydrophobicContact CD2-CD2 4.07Å; L75-L91 HydrophobicContact CD1-CB 4.23Å; L75-L91 HydrophobicContact CD1-CD2 4.32Å; L75-L91 VanDerWaalsContact CD1-O 3.32Å; L75-L91 WeakPolarHBondContact CD1-O 3.13Å; I82-L91 HydrophobicContact CB-CD2 4.26Å; I82-L91 HydrophobicContact CD1-CD2 4.1Å; I82-L91 HydrophobicContact CG2-CD2 3.51Å; T86-L91 HydrophobicContact CG2-CD2 3.6Å; T86-L91 HydrophobicContact CG2-CG 3.98Å; E87-L91 PolarHBondContact O-N 3.44Å; E87-L91 VanDerWaalsContact O-N 3.1Å; K88-L91 PolarHBondContact O-N 3.07Å; L91-Q93 VanDerWaalsContact C-N 3.28Å; L91-Q93 PolarHBondContact O-N 2.98Å; L91-H94 PolarHBondContact O-N 3Å; L91-A95 PolarHBondContact O-N 3.41Å
92I88.6Confident74.9Confident2 Ų257.2 Ų57.21%0.0130%0.295CS..Hα-helixtrans-61.3-41.7176-67.2169.7000110.2E58 L61 R62 I71 K88 H89 N90 A95 K96E58-I92 HydrophobicContact CB-CG2 4.32Å; E58-I92 HydrophobicContact CG-CG2 4.01Å; L61-I92 HydrophobicContact CB-CD1 3.87Å; L61-I92 HydrophobicContact CB-CG1 3.69Å; L61-I92 HydrophobicContact CB-CG2 4.36Å; L61-I92 HydrophobicContact CD1-CG1 4.21Å; L61-I92 HydrophobicContact CD1-CG2 4.22Å; R62-I92 HydrophobicContact CG-CD1 3.81Å; I71-I92 HydrophobicContact CD1-CD1 4.24Å; I71-I92 HydrophobicContact CD1-CG1 3.7Å; K88-I92 HydrophobicContact CG-CD1 4.25Å; K88-I92 VanDerWaalsContact O-CG1 3.26Å; K88-I92 WeakPolarHBondContact O-CG1 3.24Å; K88-I92 PolarHBondContact O-N 3.46Å; K88-I92 VanDerWaalsContact O-N 3.08Å; H89-I92 WeakPolarHBondContact O-CB 3.44Å; H89-I92 PolarHBondContact O-N 2.97Å; N90-I92 VanDerWaalsContact C-N 3.34Å; N90-I92 PolarHBondContact O-N 3.19Å; I92-A95 PolarHBondContact O-N 3.01Å; I92-K96 HydrophobicContact CG2-CD 4.23Å; I92-K96 WeakPolarHBondContact O-CG 2.93Å; I92-K96 PolarHBondContact O-N 2.74Å; I92-K96 VanDerWaalsContact O-N 3.07Å
93Q80.3Confident74.6Confident72 Ų7260.7 Ų60.734%0.33632%0.318SS..Hα-helixtrans-64.2-45.2177.3-168.757.644.400111.8H89 N90 L91 A95 K96 D97H89-Q93 PolarHBondContact O-N 2.91Å; H89-Q93 VanDerWaalsContact O-N 3.11Å; N90-Q93 PolarHBondContact O-N 3.07Å; L91-Q93 VanDerWaalsContact C-N 3.28Å; L91-Q93 PolarHBondContact O-N 2.98Å; Q93-A95 VanDerWaalsContact C-N 3.3Å; Q93-A95 PolarHBondContact O-N 3Å; Q93-K96 PolarHBondContact O-N 2.89Å; Q93-D97 PolarHBondContact NE2-OD1 3.41Å; Q93-D97 VanDerWaalsContact O-CG 3.26Å; Q93-D97 PolarHBondContact O-N 3.3Å
94H82.4Confident74Confident79 Ų7964.7 Ų64.737%0.36633%0.331SS..Hα-helixtrans-60.3-37.6175.9-75.2-61.4000113.1L75 I82 N90 L91 Y98L75-H94 HydrophobicContact CD1-CB 4.18Å; I82-H94 HydrophobicContact CD1-CB 3.63Å; N90-H94 PolarHBondContact O-CD2 2.92Å; N90-H94 PolarHBondContact O-N 3.1Å; L91-H94 PolarHBondContact O-N 3Å; H94-Y98 WeakPolarHBondContact O-CB 3.36Å; H94-Y98 PolarHBondContact O-N 3.25Å
95A87.1Confident73.5Confident0 Ų068 Ų680%035%0.345CS..Hα-helixtrans-64-45.1174.800000112.4L61 L75 L91 I92 Q93 Y98 W99L61-A95 HydrophobicContact CD1-CB 4.31Å; L75-A95 HydrophobicContact CD1-CB 4.32Å; L75-A95 HydrophobicContact CD2-CB 3.85Å; L75-A95 HydrophobicContact CG-CB 4.46Å; L91-A95 PolarHBondContact O-N 3.41Å; I92-A95 PolarHBondContact O-N 3.01Å; Q93-A95 VanDerWaalsContact C-N 3.3Å; Q93-A95 PolarHBondContact O-N 3Å; A95-Y98 WeakPolarHBondContact O-CB 3.45Å; A95-Y98 PolarHBondContact O-N 3.45Å; A95-W99 HydrophobicContact CB-CE3 4.47Å; A95-W99 HydrophobicContact CB-CH2 4Å; A95-W99 HydrophobicContact CB-CZ2 4.15Å; A95-W99 HydrophobicContact CB-CZ3 4.12Å; A95-W99 VanDerWaalsContact O-CG 3.26Å; A95-W99 PolarHBondContact O-N 2.95Å; A95-W99 VanDerWaalsContact O-N 3.07Å
96K89.1Confident72.8Confident34 Ų3471.8 Ų71.815%0.14834%0.344CS..Hα-helixtrans-61.8-47.6176.4-69.4172.970.5-170.40111.6E58 I92 Q93 Y98 W99 Q100E58-K96 HydrophobicContact CB-CD 4.16Å; E58-K96 IonicContact OE2-NZ 2.86Å; E58-K96 PolarHBondContact OE2-NZ 2.94Å; I92-K96 HydrophobicContact CG2-CD 4.23Å; I92-K96 WeakPolarHBondContact O-CG 2.93Å; I92-K96 PolarHBondContact O-N 2.74Å; I92-K96 VanDerWaalsContact O-N 3.07Å; Q93-K96 PolarHBondContact O-N 2.89Å; K96-Y98 PolarHBondContact O-N 3.14Å; K96-W99 PolarHBondContact O-N 3.49Å; K96-Q100 WeakPolarHBondContact O-CG 3.26Å; K96-Q100 PolarHBondContact O-N 2.9Å
97D83.9Confident71.5Confident48 Ų4878.5 Ų78.526%0.25738%0.378SS..Hα-helixtrans-60.1-37.6179.2-68.4-4.5000111.5Q93 K101Q93-D97 PolarHBondContact NE2-OD1 3.41Å; Q93-D97 VanDerWaalsContact O-CG 3.26Å; Q93-D97 PolarHBondContact O-N 3.3Å; D97-K101 WeakPolarHBondContact O-CB 3.45Å; D97-K101 WeakPolarHBondContact O-CD 3.18Å; D97-K101 WeakPolarHBondContact O-CG 3.3Å; D97-K101 PolarHBondContact O-N 3.38Å; D97-K101 VanDerWaalsContact O-N 3.15Å
98Y84Confident69.7Low46 Ų4681.4 Ų81.418%0.1839%0.388CS..Hα-helixtrans-65-48.8176.8176.1-111.3000112.3Q78 I80 H94 A95 K96 Q100 K101 Q102Q78-Y98 HydrophobicContact CB-CD1 4.47Å; Q78-Y98 HydrophobicContact CB-CE1 3.75Å; Q78-Y98 HydrophobicContact CB-CE2 4.44Å; Q78-Y98 HydrophobicContact CG-CD1 4.49Å; Q78-Y98 HydrophobicContact CG-CE1 3.78Å; Q78-Y98 PolarHBondContact OE1-OH 2.82Å; I80-Y98 VanDerWaalsContact CD1-CB 3.49Å; I80-Y98 HydrophobicContact CD1-CD1 3.96Å; I80-Y98 HydrophobicContact CD1-CD2 3.19Å; I80-Y98 HydrophobicContact CD1-CE2 3.81Å; I80-Y98 HydrophobicContact CD1-CG 3.26Å; I80-Y98 HydrophobicContact CG1-CD2 3.98Å; I80-Y98 HydrophobicContact CG1-CE2 4.19Å; I80-Y98 HydrophobicContact CG1-CG 4.44Å; H94-Y98 WeakPolarHBondContact O-CB 3.36Å; H94-Y98 PolarHBondContact O-N 3.25Å; A95-Y98 WeakPolarHBondContact O-CB 3.45Å; A95-Y98 PolarHBondContact O-N 3.45Å; K96-Y98 PolarHBondContact O-N 3.14Å; Y98-Q100 VanDerWaalsContact C-N 3.26Å; Y98-Q100 PolarHBondContact O-N 3.28Å; Y98-K101 PolarHBondContact O-N 3.28Å; Y98-K101 VanDerWaalsContact O-N 3.09Å; Y98-Q102 HydrophobicContact CE1-CG 4.14Å; Y98-Q102 HydrophobicContact CE2-CG 4.47Å; Y98-Q102 VanDerWaalsContact CZ-NE2 3.29Å; Y98-Q102 PolarHBondContact O-N 3.03Å; Y98-Q102 VanDerWaalsContact O-N 3.08Å; Y98-Q102 PolarHBondContact OH-NE2 2.88Å
99W88Confident67.4Low3 Ų387.3 Ų87.31%0.01142%0.417CS..Hα-helixtrans-65.3-31.1-179.9-60.1-35000112.7S9 E10 G13 A57 L61 Y74 A95 K96S9-W99 WeakPolarHBondContact CB-O 3.15Å; E10-W99 HydrophobicContact CB-CE3 4.33Å; E10-W99 HydrophobicContact CG-CB 4.31Å; E10-W99 HydrophobicContact CG-CE3 3.9Å; G13-W99 VanDerWaalsContact C-CZ2 3.43Å; G13-W99 VanDerWaalsContact CA-CE2 3.49Å; A57-W99 HydrophobicContact CB-CE3 4.39Å; A57-W99 HydrophobicContact CB-CZ3 3.73Å; L61-W99 HydrophobicContact CD1-CH2 3.94Å; L61-W99 HydrophobicContact CD1-CZ3 4.19Å; Y74-W99 HydrophobicContact CD1-CZ2 4.31Å; Y74-W99 AromaticContact CE1-CE2 3.81Å; Y74-W99 AromaticContact CE1-CZ2 3.51Å; Y74-W99 HydrophobicContact CE1-CZ2 3.51Å; Y74-W99 AromaticContact CE1-NE1 3.6Å; Y74-W99 AromaticContact CZ-CZ2 3.92Å; Y74-W99 AromaticContact CZ-NE1 3.61Å; Y74-W99 PolarHBondContact OH-NE1 2.85Å; A95-W99 HydrophobicContact CB-CE3 4.47Å; A95-W99 HydrophobicContact CB-CH2 4Å; A95-W99 HydrophobicContact CB-CZ2 4.15Å; A95-W99 HydrophobicContact CB-CZ3 4.12Å; A95-W99 VanDerWaalsContact O-CG 3.26Å; A95-W99 PolarHBondContact O-N 2.95Å; A95-W99 VanDerWaalsContact O-N 3.07Å; K96-W99 PolarHBondContact O-N 3.49Å
100Q80.4Confident65Low123 Ų12388.2 Ų88.258%0.57543%0.429SS*.Hα-helixtrans-71.7-29.2173.6-711790.500113.3K96 Y98 P103K96-Q100 WeakPolarHBondContact O-CG 3.26Å; K96-Q100 PolarHBondContact O-N 2.9Å; Y98-Q100 VanDerWaalsContact C-N 3.26Å; Y98-Q100 PolarHBondContact O-N 3.28Å; Q100-P103 VanDerWaalsContact O-CD 3.28Å; Q100-P103 WeakPolarHBondContact O-CD 3.42Å
101K72.6Confident63.1Low125 Ų12590.6 Ų90.654%0.54345%0.449SS..Hα-helixtrans-86.8-18.3179.5-70.9170-173.6174.60113.7D97 Y98 Q104D97-K101 WeakPolarHBondContact O-CB 3.45Å; D97-K101 WeakPolarHBondContact O-CD 3.18Å; D97-K101 WeakPolarHBondContact O-CG 3.3Å; D97-K101 PolarHBondContact O-N 3.38Å; D97-K101 VanDerWaalsContact O-N 3.15Å; Y98-K101 PolarHBondContact O-N 3.28Å; Y98-K101 VanDerWaalsContact O-N 3.09Å; K101-Q104 PolarHBondContact O-N 2.62Å
102Q63Low60.7Low46 Ų4698.1 Ų98.122%0.21548%0.484CS..Hα-helixtrans-55.1-32.9179.7-83.3-151.1-10.800116.3Y98 Q104 L105Y98-Q102 HydrophobicContact CE1-CG 4.14Å; Y98-Q102 HydrophobicContact CE2-CG 4.47Å; Y98-Q102 VanDerWaalsContact CZ-NE2 3.29Å; Y98-Q102 PolarHBondContact O-N 3.03Å; Y98-Q102 VanDerWaalsContact O-N 3.08Å; Y98-Q102 PolarHBondContact OH-NE2 2.88Å; Q102-Q104 PolarHBondContact O-N 3.43Å; Q102-L105 PolarHBondContact O-N 3.23Å
103P52.1Low58.3Low87 Ų87102.8 Ų102.857%0.56551%0.514SS*.Hα-helixtrans-62.4-23175.9-22.733.8000113.9Q100Q100-P103 VanDerWaalsContact O-CD 3.28Å; Q100-P103 WeakPolarHBondContact O-CD 3.42Å
104Q43Very low55.9Low163 Ų163106 Ų10676%0.76254%0.539SS*.Hα-helixtrans-93.8-18.6-174.7-59.1-170.72.300114K101 Q102K101-Q104 PolarHBondContact O-N 2.62Å; Q102-Q104 PolarHBondContact O-N 3.43Å
105L43.7Very low53.2Low127 Ų127107.8 Ų107.867%0.66556%0.556SS**Hα-helixtrans-89.9-15-175.6-70.7169.6000114Q102 L107Q102-L105 PolarHBondContact O-N 3.23Å; L105-L107 PolarHBondContact O-N 2.82Å
106K42.2Very low50.6Low171 Ų171117 Ų11774%0.74360%0.596SS**THydrogen-bonded Turntrans-76.84.4-177.8-68.8-163176.6-173.20115.4
107L37.7Very low47.8Very low161 Ų161120.4 Ų120.484%0.84362%0.619SS**THydrogen-bonded Turntrans-99.7-1.5-173.7-102.2160.5000115.4L105L105-L107 PolarHBondContact O-N 2.82Å
108K33.4Very low45.3Very low196 Ų196126.8 Ų126.885%0.85265%0.648SS**SBendtrans-122.3-3.7-173.7-97-173.6175.6-175.50118.3
109E35.1Very low42.6Very low179 Ų179130.4 Ų130.484%0.83667%0.67SS**  trans-140.7100.4177.4-66.8-175.5171.100111.6
110T26.3Very low40.4Very low113 Ų113137.5 Ų137.569%0.69371%0.707SS**  trans-164141.1145.67.70000108.1E112T110-E112 HydrophobicContact CG2-CG 3.65Å
111P30.9Very low38Very low127 Ų127140.4 Ų140.483%0.82572%0.72SS**  -126125.27216.25.1000112.7
112E30.4Very low36.1Very low158 Ų158142.1 Ų142.174%0.73873%0.734SS**  60152.278.9-75.3-150.4-173.700116.4T110T110-E112 HydrophobicContact CG2-CG 3.65Å
113P39.7Very low34.7Very low100 Ų100149.9 Ų149.965%0.64977%0.768SS**  cis-143.1152.3-46.637.9-20.4000113.6
114V28.2Very low33.8Very low139 Ų139155 Ų15584%0.84278%0.784SS**  trans-144.197.4149.4-1650000110.9
115T27.3Very low33.3Very low118 Ų118155 Ų15572%0.72478%0.784SS**  trans38.7102.6136.9-14.10000120.6
116K32.4Very low33Very low193 Ų193157.9 Ų157.984%0.83979%0.794SS**  13.8148.3119.7-59.2178.7-175.6179.20117
117T30Very low32.8Very low105 Ų105156.4 Ų156.464%0.64480%0.799SS**  cis176.4138.3-4.5-76.50000102.2
118E30.1Very low32.8Very low183 Ų183157.8 Ų157.886%0.85580%0.798SS**  trans168.389153.9-96166.4-148.600106
119D27.8Very low32.7Very low121 Ų121157.1 Ų157.165%0.64780%0.798SS**  86.7112.484.1-80.7-27.9000114.2
120I41.6Very low33Very low153 Ų153156.3 Ų156.379%0.78580%0.8SS**  trans57.774.8134-45.2167.2000115.5
121Q31.3Very low33.8Very low184 Ų184160.3 Ų160.386%0.8681%0.808SS**  trans-153.414.9159-117.3171.448.500116.4
122L32.3Very low33.8Very low160 Ų160164.1 Ų164.184%0.83881%0.811SS**THydrogen-bonded Turntrans-93.31.3-172.5-86.9156.2000116.2
123F34.3Very low34.1Very low210 Ų210161 Ų16192%0.92181%0.812SS**THydrogen-bonded Turntrans-96.610.1-174.4-92.9-79.5000116.6
124Q31.5Very low34.3Very low193 Ų193165.2 Ų165.290%0.90282%0.823SS**SBendtrans-129.47.8178-74.1-175.3-13.400116
125Q33.2Very low35.4Very low163 Ų163167.8 Ų167.876%0.76282%0.823SS**  trans-120.526.4-176.4-147.6164.30.700115.2
126Q36.8Very low37Very low189 Ų189166.1 Ų166.188%0.88381%0.813SS**SBendtrans-106.730.3171.8-89-174.5-17.900114.1
127V39.3Very low39.4Very low140 Ų140161.4 Ų161.485%0.84880%0.797SS**SBendtrans-1141.1168-173.80000112.2
128K36.3Very low41.9Very low189 Ų189159.2 Ų159.282%0.82278%0.778SS**SBendtrans-145.260.4178.3-72.8-172178.3175.80113.1
129E33Very low44.5Very low182 Ų182156 Ų15685%0.8576%0.758SS**  trans-144.540.8157.2-119.3171.3-159.200112.7K131E129-K131 VanDerWaalsContact C-N 3.3Å; E129-K131 PolarHBondContact O-N 2.97Å; E129-K131 VanDerWaalsContact O-N 3.13Å
130D40.8Very low47.4Very low162 Ų162157.5 Ų157.587%0.86676%0.755SS**  trans-70.192.8146-91.4-34.8000108.1
131K42.2Very low49.7Very low198 Ų198151.3 Ų151.386%0.86172%0.723SS**SBendtrans169.369.2146.9-91.9164.6-173.1-175.30112.1E129E129-K131 VanDerWaalsContact C-N 3.3Å; E129-K131 PolarHBondContact O-N 2.97Å; E129-K131 VanDerWaalsContact O-N 3.13Å
132K30.6Very low52.6Low207 Ų207142.5 Ų142.590%0.968%0.682SS**  trans-171.987135.3-104.4172-175.8-177.40107.5E134K132-E134 PolarHBondContact O-N 2.87Å
133A38Very low55.4Low92 Ų92137.3 Ų137.376%0.7665%0.654SS**  trans-61.6103.1173.200000109.1K135A133-K135 PolarHBondContact O-N 3.34Å
134E42.9Very low58.2Low189 Ų189132.4 Ų132.488%0.88363%0.634SS**  trans-65.993.1146.3-152.4173.9-145.400104.9K132 V136K132-E134 PolarHBondContact O-N 2.87Å; E134-V136 VanDerWaalsContact C-N 3.31Å; E134-V136 PolarHBondContact O-N 3.21Å
135K51.4Low61.2Low192 Ų192124 Ų12484%0.83559%0.594SS**  trans-67.993.9-173.4-156.3-178.9-171.3-175.30106.3A133 D137A133-K135 PolarHBondContact O-N 3.34Å; K135-D137 PolarHBondContact O-N 2.8Å
136V62.3Low64.2Low83 Ų83116.3 Ų116.350%0.50356%0.558SS.*  trans-49.2116.4175.5175.80000107.3E134 F138E134-V136 VanDerWaalsContact C-N 3.31Å; E134-V136 PolarHBondContact O-N 3.21Å; V136-F138 VanDerWaalsContact C-N 3.31Å; V136-F138 HydrophobicContact CB-CE1 4.32Å; V136-F138 HydrophobicContact CB-CE2 4.24Å; V136-F138 HydrophobicContact CB-CZ 4.02Å; V136-F138 HydrophobicContact CG1-CD1 4.17Å; V136-F138 HydrophobicContact CG1-CE1 3.92Å; V136-F138 HydrophobicContact CG1-CZ 4.14Å; V136-F138 WeakPolarHBondContact O-CD2 3.36Å; V136-F138 WeakPolarHBondContact O-CE2 3.48Å; V136-F138 PolarHBondContact O-N 3.3Å
137D81.8Confident66.9Low94 Ų94113.2 Ų113.250%0.50354%0.543SS..  trans-75.789.4179.5-174-8.1000108.6K135 R139 R140 L141K135-D137 PolarHBondContact O-N 2.8Å; D137-R139 PolarHBondContact O-N 3.19Å; D137-R139 WeakPolarHBondContact OD1-CB 3.45Å; D137-R139 PolarHBondContact OD1-N 3.34Å; D137-R140 HydrophobicContact CB-CB 4Å; D137-R140 PolarHBondContact O-N 3.31Å; D137-R140 VanDerWaalsContact O-N 3.14Å; D137-R140 PolarHBondContact OD1-N 3.42Å; D137-L141 PolarHBondContact O-N 3.34Å
138F82.9Confident69.6Low60 Ų60111.5 Ų111.526%0.26352%0.522SS..Hα-helixtrans-62-22.9-179.8-65.4-72.7000112.8V136 G142 C224 S226 V232V136-F138 VanDerWaalsContact C-N 3.31Å; V136-F138 HydrophobicContact CB-CE1 4.32Å; V136-F138 HydrophobicContact CB-CE2 4.24Å; V136-F138 HydrophobicContact CB-CZ 4.02Å; V136-F138 HydrophobicContact CG1-CD1 4.17Å; V136-F138 HydrophobicContact CG1-CE1 3.92Å; V136-F138 HydrophobicContact CG1-CZ 4.14Å; V136-F138 WeakPolarHBondContact O-CD2 3.36Å; V136-F138 WeakPolarHBondContact O-CE2 3.48Å; V136-F138 PolarHBondContact O-N 3.3Å; F138-G142 PolarHBondContact O-N 3.26Å; F138-C224 HydrophobicContact CB-CB 4.25Å; F138-C224 WeakPolarHBondContact O-CB 3.49Å; F138-C224 PolarHBondContact O-SG 3.36Å; F138-C224 VanDerWaalsContact O-SG 3.34Å; F138-S226 WeakPolarHBondContact CD2-OG 3.36Å; F138-S226 WeakPolarHBondContact CE2-OG 3.31Å; F138-S226 VanDerWaalsContact CZ-CB 3.42Å; F138-S226 VanDerWaalsContact CZ-OG 3.3Å; F138-S226 WeakPolarHBondContact CZ-OG 3.25Å; F138-V232 HydrophobicContact CD1-CG1 4.01Å; F138-V232 HydrophobicContact CD1-CG2 3.7Å; F138-V232 HydrophobicContact CE1-CG2 3.52Å
139R85.2Confident72.5Confident115 Ų115102.5 Ų102.543%0.43448%0.483SS..Hα-helixtrans-70.1-47.1174.7-176172.6178-75.8-18.9110.1D137 L141 G142 E143D137-R139 PolarHBondContact O-N 3.19Å; D137-R139 WeakPolarHBondContact OD1-CB 3.45Å; D137-R139 PolarHBondContact OD1-N 3.34Å; R139-L141 VanDerWaalsContact C-N 3.33Å; R139-L141 PolarHBondContact O-N 3.17Å; R139-G142 PolarHBondContact O-N 2.92Å; R139-G142 VanDerWaalsContact O-N 3.16Å; R139-E143 IonicContact CZ-OE1 2.74Å; R139-E143 IonicContact NE-OE1 2.86Å; R139-E143 IonicContact NH1-OE1 3.82Å; R139-E143 PolarHBondContact NH1-OE1 2.97Å; R139-E143 IonicContact NH2-OE1 3.79Å; R139-E143 PolarHBondContact NH2-OE1 3.12Å; R139-E143 WeakPolarHBondContact O-CG 3.41Å; R139-E143 PolarHBondContact O-N 3.22Å
140R88.8Confident75.5Confident152 Ų15294 Ų9457%0.57444%0.443SS*.Hα-helixtrans-59.7-42.7173.8-177.6177.4169.7174.1-0.6112D137 G142 E143 E144D137-R140 HydrophobicContact CB-CB 4Å; D137-R140 PolarHBondContact O-N 3.31Å; D137-R140 VanDerWaalsContact O-N 3.14Å; D137-R140 PolarHBondContact OD1-N 3.42Å; R140-G142 VanDerWaalsContact C-N 3.32Å; R140-G142 PolarHBondContact O-N 3.22Å; R140-E143 PolarHBondContact O-N 3.1Å; R140-E144 IonicContact CZ-OE1 3.68Å; R140-E144 IonicContact NE-OE1 2.6Å; R140-E144 PolarHBondContact NE-OE1 3.48Å; R140-E144 IonicContact NH2-OE1 3.73Å; R140-E144 PolarHBondContact NH2-OE1 3.45Å; R140-E144 WeakPolarHBondContact O-CG 3.44Å; R140-E144 PolarHBondContact O-N 2.74Å
141L89.9Confident78.1Confident23 Ų2387.7 Ų87.712%0.1242%0.416CS..Hα-helixtrans-57.1-45.5173.9178.7157.2000111.6D137 R139 E144 F145 V232 V234 L256 W266D137-L141 PolarHBondContact O-N 3.34Å; R139-L141 VanDerWaalsContact C-N 3.33Å; R139-L141 PolarHBondContact O-N 3.17Å; L141-E144 PolarHBondContact O-N 2.94Å; L141-F145 WeakPolarHBondContact O-CB 3.5Å; L141-F145 PolarHBondContact O-N 2.6Å; L141-V232 HydrophobicContact CD2-CG1 4.02Å; L141-V234 HydrophobicContact CD2-CG2 4.31Å; L141-L256 HydrophobicContact CD2-CD1 4.09Å; L141-W266 HydrophobicContact CD1-CD2 4.29Å; L141-W266 HydrophobicContact CD1-CH2 4.37Å; L141-W266 HydrophobicContact CD1-CZ2 3.63Å
142G91.1Very high80.7Confident0 Ų078.8 Ų78.80%038%0.378CS..Hα-helixtrans-62.9-41.1176.900000113.3F138 R139 R140 F145 C146 C224F138-G142 PolarHBondContact O-N 3.26Å; R139-G142 PolarHBondContact O-N 2.92Å; R139-G142 VanDerWaalsContact O-N 3.16Å; R140-G142 VanDerWaalsContact C-N 3.32Å; R140-G142 PolarHBondContact O-N 3.22Å; G142-F145 PolarHBondContact O-N 2.93Å; G142-C146 WeakPolarHBondContact O-CB 3.35Å; G142-C146 PolarHBondContact O-N 3.44Å; G142-C146 PolarHBondContact O-SG 3.06Å; G142-C146 VanDerWaalsContact O-SG 3.34Å; G142-C224 VanDerWaalsContact CA-SG 3.56Å
143E92Very high83.8Confident51 Ų5168.9 Ų68.924%0.23834%0.335CS..Hα-helixtrans-62.4-49.1176.6-71.3175.1179.400110.9R139 R140 C146 H147 L222R139-E143 IonicContact CZ-OE1 2.74Å; R139-E143 IonicContact NE-OE1 2.86Å; R139-E143 IonicContact NH1-OE1 3.82Å; R139-E143 PolarHBondContact NH1-OE1 2.97Å; R139-E143 IonicContact NH2-OE1 3.79Å; R139-E143 PolarHBondContact NH2-OE1 3.12Å; R139-E143 WeakPolarHBondContact O-CG 3.41Å; R139-E143 PolarHBondContact O-N 3.22Å; R140-E143 PolarHBondContact O-N 3.1Å; E143-C146 PolarHBondContact O-N 3.39Å; E143-H147 PolarHBondContact O-N 3.21Å; E143-H147 PolarHBondContact O-ND1 3.42Å; E143-L222 HydrophobicContact CB-CD2 4.21Å; E143-L222 HydrophobicContact CG-CD2 3.4Å
144E92.9Very high86.6Confident107 Ų10765 Ų6550%0.530%0.301SS..Hα-helixtrans-62.1-44.3177.7-71.2175.7-173.500111.2R140 L141 H147 W148R140-E144 IonicContact CZ-OE1 3.68Å; R140-E144 IonicContact NE-OE1 2.6Å; R140-E144 PolarHBondContact NE-OE1 3.48Å; R140-E144 IonicContact NH2-OE1 3.73Å; R140-E144 PolarHBondContact NH2-OE1 3.45Å; R140-E144 WeakPolarHBondContact O-CG 3.44Å; R140-E144 PolarHBondContact O-N 2.74Å; L141-E144 PolarHBondContact O-N 2.94Å; E144-H147 PolarHBondContact O-N 3Å; E144-W148 WeakPolarHBondContact O-CB 3.29Å; E144-W148 PolarHBondContact O-N 3Å
145F94.6Very high89.1Confident17 Ų1756.5 Ų56.58%0.07526%0.263CS..Hα-helixtrans-60-47.2176.1171.2-94000112.1L141 G142 W148 F149 V234 F254 L256 I268L141-F145 WeakPolarHBondContact O-CB 3.5Å; L141-F145 PolarHBondContact O-N 2.6Å; G142-F145 PolarHBondContact O-N 2.93Å; F145-W148 AromaticContact CD2-CE3 3.95Å; F145-W148 HydrophobicContact CD2-CE3 3.95Å; F145-W148 AromaticContact CD2-CZ3 3.94Å; F145-W148 HydrophobicContact CD2-CZ3 3.94Å; F145-W148 HydrophobicContact CE2-CE3 4.05Å; F145-W148 AromaticContact CE2-CZ3 3.61Å; F145-W148 HydrophobicContact CE2-CZ3 3.61Å; F145-W148 HydrophobicContact CZ-CZ3 4.43Å; F145-W148 PolarHBondContact O-N 2.97Å; F145-F149 HydrophobicContact CE1-CB 4.28Å; F145-F149 HydrophobicContact CZ-CB 4.21Å; F145-F149 HydrophobicContact CZ-CD2 4.17Å; F145-F149 HydrophobicContact CZ-CG 4.31Å; F145-F149 VanDerWaalsContact O-CB 3.3Å; F145-F149 WeakPolarHBondContact O-CB 3.33Å; F145-F149 PolarHBondContact O-N 2.7Å; F145-V234 HydrophobicContact CD1-CB 4.4Å; F145-V234 HydrophobicContact CD1-CG1 4.09Å; F145-V234 HydrophobicContact CD1-CG2 4.5Å; F145-F254 HydrophobicContact CE1-CB 4.16Å; F145-F254 HydrophobicContact CE1-CD1 4.01Å; F145-F254 AromaticContact CE1-CD2 3.62Å; F145-F254 HydrophobicContact CE1-CD2 3.62Å; F145-F254 HydrophobicContact CE1-CE1 4.26Å; F145-F254 AromaticContact CE1-CE2 3.89Å; F145-F254 HydrophobicContact CE1-CE2 3.89Å; F145-F254 AromaticContact CE1-CG 3.67Å; F145-F254 HydrophobicContact CE1-CG 3.67Å; F145-F254 HydrophobicContact CE1-CZ 4.18Å; F145-F254 HydrophobicContact CZ-CB 4.24Å; F145-F254 AromaticContact CZ-CD1 3.78Å; F145-F254 HydrophobicContact CZ-CD1 3.78Å; F145-F254 HydrophobicContact CZ-CD2 4.25Å; F145-F254 HydrophobicContact CZ-CE1 4.11Å; F145-F254 AromaticContact CZ-CG 3.84Å; F145-F254 HydrophobicContact CZ-CG 3.84Å; F145-F254 HydrophobicContact CZ-CZ 4.45Å; F145-L256 HydrophobicContact CB-CD1 4.44Å; F145-L256 HydrophobicContact CD1-CD1 4.24Å; F145-L256 HydrophobicContact CD2-CD1 3.67Å; F145-L256 HydrophobicContact CD2-CD2 4.11Å; F145-L256 HydrophobicContact CE1-CD1 4.49Å; F145-L256 HydrophobicContact CE1-CD2 4.45Å; F145-L256 HydrophobicContact CE2-CD1 3.93Å; F145-L256 HydrophobicContact CE2-CD2 3.48Å; F145-L256 VanDerWaalsContact CE2-CD2 3.48Å; F145-L256 HydrophobicContact CE2-CG 4.36Å; F145-L256 HydrophobicContact CG-CD1 3.84Å; F145-L256 HydrophobicContact CZ-CD1 4.35Å; F145-L256 HydrophobicContact CZ-CD2 3.7Å; F145-I268 HydrophobicContact CE2-CD1 4.22Å; F145-I268 HydrophobicContact CE2-CG1 4.04Å; F145-I268 HydrophobicContact CZ-CD1 4.1Å; F145-I268 HydrophobicContact CZ-CG1 4.1Å
146C95.9Very high91.1Very high0 Ų048 Ų480%023%0.226CC..Hα-helixtrans-67.2-41.3-179-73.50000112G142 E143 W148 F149 F150 L217G142-C146 WeakPolarHBondContact O-CB 3.35Å; G142-C146 PolarHBondContact O-N 3.44Å; G142-C146 PolarHBondContact O-SG 3.06Å; G142-C146 VanDerWaalsContact O-SG 3.34Å; E143-C146 PolarHBondContact O-N 3.39Å; C146-W148 VanDerWaalsContact C-N 3.32Å; C146-W148 PolarHBondContact O-N 3.37Å; C146-F149 PolarHBondContact O-N 3.28Å; C146-F150 HydrophobicContact CB-CD2 4.12Å; C146-F150 HydrophobicContact CB-CE2 4.21Å; C146-F150 VanDerWaalsContact O-CD2 3.24Å; C146-F150 WeakPolarHBondContact O-CD2 3.42Å; C146-F150 PolarHBondContact O-N 2.96Å; C146-L217 HydrophobicContact CB-CD2 3.57Å
147H94.1Very high92.6Very high124 Ų12444.2 Ų44.257%0.57420%0.203SC*.Hα-helixtrans-57-48.1174.1-78.5106000111.4E143 E144 G151 L217E143-H147 PolarHBondContact O-N 3.21Å; E143-H147 PolarHBondContact O-ND1 3.42Å; E144-H147 PolarHBondContact O-N 3Å; H147-G151 WeakPolarHBondContact O-CA 3.27Å; H147-G151 PolarHBondContact O-N 2.92Å; H147-L217 WeakPolarHBondContact CE1-CD1 3.33Å; H147-L217 WeakPolarHBondContact NE2-CD1 3.47Å
148W94.8Very high93Very high104 Ų10443.5 Ų43.539%0.39420%0.204SC..Hα-helixtrans-62.4-53.6177.2164.777.2000112E144 F145 C146 G151 L152 H171E144-W148 WeakPolarHBondContact O-CB 3.29Å; E144-W148 PolarHBondContact O-N 3Å; F145-W148 AromaticContact CD2-CE3 3.95Å; F145-W148 HydrophobicContact CD2-CE3 3.95Å; F145-W148 AromaticContact CD2-CZ3 3.94Å; F145-W148 HydrophobicContact CD2-CZ3 3.94Å; F145-W148 HydrophobicContact CE2-CE3 4.05Å; F145-W148 AromaticContact CE2-CZ3 3.61Å; F145-W148 HydrophobicContact CE2-CZ3 3.61Å; F145-W148 HydrophobicContact CZ-CZ3 4.43Å; F145-W148 PolarHBondContact O-N 2.97Å; C146-W148 VanDerWaalsContact C-N 3.32Å; C146-W148 PolarHBondContact O-N 3.37Å; W148-G151 PolarHBondContact O-N 3.48Å; W148-L152 HydrophobicContact CZ2-CD2 4.2Å; W148-L152 WeakPolarHBondContact O-CB 3.37Å; W148-L152 PolarHBondContact O-N 3.12Å; W148-H171 HydrophobicContact CH2-CB 4.07Å; W148-H171 HydrophobicContact CZ2-CB 4.42Å; W148-H171 AromaticContact CZ2-CG 3.98Å; W148-H171 AromaticContact CZ2-ND1 3.72Å
149F96.8Very high93.3Very high0 Ų047.6 Ų47.60%022%0.222CC..Hα-helixtrans-62.7-51.8-172.5179.4-89.7000112.1F145 C146 L153 W167 L202 F254 I268F145-F149 HydrophobicContact CE1-CB 4.28Å; F145-F149 HydrophobicContact CZ-CB 4.21Å; F145-F149 HydrophobicContact CZ-CD2 4.17Å; F145-F149 HydrophobicContact CZ-CG 4.31Å; F145-F149 VanDerWaalsContact O-CB 3.3Å; F145-F149 WeakPolarHBondContact O-CB 3.33Å; F145-F149 PolarHBondContact O-N 2.7Å; C146-F149 PolarHBondContact O-N 3.28Å; F149-L153 HydrophobicContact CE1-CD2 3.92Å; F149-L153 HydrophobicContact CZ-CD2 4.2Å; F149-L153 VanDerWaalsContact O-CB 3.22Å; F149-L153 WeakPolarHBondContact O-CB 3.49Å; F149-L153 PolarHBondContact O-N 2.75Å; F149-W167 HydrophobicContact CD2-CH2 4.26Å; F149-W167 HydrophobicContact CD2-CZ3 4.31Å; F149-W167 AromaticContact CE2-CH2 3.55Å; F149-W167 HydrophobicContact CE2-CH2 3.55Å; F149-W167 HydrophobicContact CE2-CZ3 4.04Å; F149-W167 AromaticContact CZ-CH2 3.83Å; F149-W167 HydrophobicContact CZ-CH2 3.83Å; F149-W167 HydrophobicContact CZ-CZ3 4.48Å; F149-L202 HydrophobicContact CZ-CD1 4.15Å; F149-F254 HydrophobicContact CD1-CE1 4.24Å; F149-F254 AromaticContact CD1-CZ 3.76Å; F149-F254 HydrophobicContact CD1-CZ 3.76Å; F149-F254 HydrophobicContact CD2-CE1 4.18Å; F149-F254 HydrophobicContact CD2-CZ 4.48Å; F149-F254 AromaticContact CE1-CE1 3.86Å; F149-F254 HydrophobicContact CE1-CE1 3.86Å; F149-F254 AromaticContact CE1-CZ 3.55Å; F149-F254 HydrophobicContact CE1-CZ 3.55Å; F149-F254 AromaticContact CE2-CE1 3.76Å; F149-F254 HydrophobicContact CE2-CE1 3.76Å; F149-F254 HydrophobicContact CE2-CZ 4.27Å; F149-F254 HydrophobicContact CG-CE1 4.39Å; F149-F254 HydrophobicContact CG-CZ 4.24Å; F149-F254 AromaticContact CZ-CE1 3.6Å; F149-F254 HydrophobicContact CZ-CE1 3.6Å; F149-F254 AromaticContact CZ-CZ 3.82Å; F149-F254 HydrophobicContact CZ-CZ 3.82Å; F149-I268 HydrophobicContact CD2-CD1 3.86Å; F149-I268 HydrophobicContact CE2-CD1 3.73Å
150F96.4Very high93.3Very high4 Ų446.9 Ų46.92%0.01823%0.226CC..Hα-helixtrans-75.2-32.7-178.7-66.3-73.1000111.8C146 N154 L213 P215 V236 F250 F254C146-F150 HydrophobicContact CB-CD2 4.12Å; C146-F150 HydrophobicContact CB-CE2 4.21Å; C146-F150 VanDerWaalsContact O-CD2 3.24Å; C146-F150 WeakPolarHBondContact O-CD2 3.42Å; C146-F150 PolarHBondContact O-N 2.96Å; F150-N154 WeakPolarHBondContact O-CB 3.15Å; F150-N154 PolarHBondContact O-N 2.92Å; F150-N154 PolarHBondContact O-ND2 3.3Å; F150-L213 HydrophobicContact CD1-CB 3.78Å; F150-L213 HydrophobicContact CD1-CD1 4.24Å; F150-L213 HydrophobicContact CE1-CB 4.04Å; F150-L213 HydrophobicContact CE1-CD1 4.04Å; F150-P215 HydrophobicContact CB-CG 4.06Å; F150-P215 HydrophobicContact CD2-CB 3.7Å; F150-P215 HydrophobicContact CD2-CG 3.61Å; F150-P215 HydrophobicContact CE2-CB 3.84Å; F150-P215 HydrophobicContact CE2-CG 4.28Å; F150-P215 HydrophobicContact CG-CB 4.28Å; F150-P215 HydrophobicContact CG-CG 3.91Å; F150-V236 HydrophobicContact CE2-CG1 3.66Å; F150-V236 HydrophobicContact CE2-CG2 4.24Å; F150-V236 HydrophobicContact CZ-CG1 3.67Å; F150-F250 HydrophobicContact CD1-CZ 4.49Å; F150-F250 AromaticContact CE1-CE2 3.82Å; F150-F250 HydrophobicContact CE1-CE2 3.82Å; F150-F250 AromaticContact CE1-CZ 3.77Å; F150-F250 HydrophobicContact CE1-CZ 3.77Å; F150-F250 AromaticContact CZ-CE2 3.71Å; F150-F250 HydrophobicContact CZ-CE2 3.71Å; F150-F250 AromaticContact CZ-CZ 3.89Å; F150-F250 HydrophobicContact CZ-CZ 3.89Å; F150-F254 HydrophobicContact CZ-CE2 4.31Å; F150-F254 HydrophobicContact CZ-CZ 4.31Å
151G95.2Very high93Very high30 Ų3041.4 Ų41.431%0.30922%0.217SC..Hα-helixtrans-59.9-51.317200000111.2H147 W148 S155H147-G151 WeakPolarHBondContact O-CA 3.27Å; H147-G151 PolarHBondContact O-N 2.92Å; W148-G151 PolarHBondContact O-N 3.48Å; G151-S155 WeakPolarHBondContact O-CB 3.22Å; G151-S155 PolarHBondContact O-N 3.15Å
152L96.3Very high92.6Very high10 Ų1046 Ų465%0.05225%0.248CC..Hα-helixtrans-62.7-51.1178.5-17959.2000111.8W148 S155 D165 W167W148-L152 HydrophobicContact CZ2-CD2 4.2Å; W148-L152 WeakPolarHBondContact O-CB 3.37Å; W148-L152 PolarHBondContact O-N 3.12Å; L152-S155 PolarHBondContact O-N 2.61Å; L152-S155 PolarHBondContact O-OG 3.18Å; L152-D165 HydrophobicContact CD1-CB 3.64Å; L152-W167 HydrophobicContact CD2-CE3 3.98Å; L152-W167 HydrophobicContact CG-CE3 3.99Å
153L96.7Very high92.2Very high0 Ų049.4 Ų49.40%027%0.27CS..Hα-helixtrans-62.9-49.6-178.4-17861.1000111.3F149 S155 Q156 W167 L202 V206 L213F149-L153 HydrophobicContact CE1-CD2 3.92Å; F149-L153 HydrophobicContact CZ-CD2 4.2Å; F149-L153 VanDerWaalsContact O-CB 3.22Å; F149-L153 WeakPolarHBondContact O-CB 3.49Å; F149-L153 PolarHBondContact O-N 2.75Å; L153-S155 VanDerWaalsContact C-N 3.27Å; L153-S155 PolarHBondContact O-N 3.29Å; L153-Q156 WeakPolarHBondContact O-CB 3.19Å; L153-Q156 WeakPolarHBondContact O-CG 3.33Å; L153-Q156 PolarHBondContact O-N 2.92Å; L153-Q156 VanDerWaalsContact O-N 3.1Å; L153-W167 HydrophobicContact CB-CE3 4.25Å; L153-W167 HydrophobicContact CB-CH2 4.28Å; L153-W167 HydrophobicContact CB-CZ3 3.85Å; L153-W167 HydrophobicContact CD1-CD2 4.1Å; L153-W167 HydrophobicContact CD1-CE3 4.13Å; L153-W167 HydrophobicContact CD1-CH2 3.87Å; L153-W167 HydrophobicContact CD1-CZ2 3.86Å; L153-W167 HydrophobicContact CD1-CZ3 4.02Å; L153-W167 HydrophobicContact CD2-CH2 4.45Å; L153-W167 HydrophobicContact CG-CH2 4.42Å; L153-W167 HydrophobicContact CG-CZ3 4.42Å; L153-L202 HydrophobicContact CD1-CB 4.43Å; L153-V206 HydrophobicContact CD1-CG1 4.31Å; L153-V206 HydrophobicContact CD1-CG2 3.74Å; L153-V206 HydrophobicContact CD2-CG1 4.48Å; L153-V206 HydrophobicContact CG-CG1 3.91Å; L153-V206 HydrophobicContact CG-CG2 4.19Å; L153-V206 WeakPolarHBondContact O-CG2 3.46Å; L153-L213 HydrophobicContact CD2-CD1 4.14Å
154N96.1Very high91.6Very high9 Ų954.8 Ų54.85%0.04830%0.296CS..Hα-helixtrans-65.8-29.9-179.8-70.3-36.2000112.5F150 Q156 N157 L160 F212 L213F150-N154 WeakPolarHBondContact O-CB 3.15Å; F150-N154 PolarHBondContact O-N 2.92Å; F150-N154 PolarHBondContact O-ND2 3.3Å; N154-Q156 PolarHBondContact O-N 3.01Å; N154-Q156 VanDerWaalsContact O-N 3.07Å; N154-N157 WeakPolarHBondContact O-CB 3.49Å; N154-N157 PolarHBondContact O-N 2.72Å; N154-L160 HydrophobicContact CB-CD1 4.35Å; N154-F212 HydrophobicContact CB-CD2 3.73Å; N154-F212 HydrophobicContact CB-CE2 3.67Å; N154-F212 VanDerWaalsContact CG-CD2 3.49Å; N154-F212 WeakPolarHBondContact ND2-CE2 3.13Å; N154-L213 PolarHBondContact ND2-O 3.03Å; N154-L213 PolarHBondContact OD1-N 3.01Å
155S95.3Very high91.3Very high12 Ų1255.2 Ų55.28%0.08430%0.301CS..Hα-helixtrans-60.7-18.5175.677.90000113.3G151 L152 L153 N157 P163 Q164G151-S155 WeakPolarHBondContact O-CB 3.22Å; G151-S155 PolarHBondContact O-N 3.15Å; L152-S155 PolarHBondContact O-N 2.61Å; L152-S155 PolarHBondContact O-OG 3.18Å; L153-S155 VanDerWaalsContact C-N 3.27Å; L153-S155 PolarHBondContact O-N 3.29Å; S155-N157 PolarHBondContact O-N 3.06Å; S155-P163 WeakPolarHBondContact O-CA 3.18Å; S155-Q164 PolarHBondContact OG-N 2.98Å
156Q94.6Very high91Very high12 Ų1261 Ų616%0.05633%0.329CS..THydrogen-bonded Turntrans-75.1-12.3174.7-56.3-55.4-49.700113.1L153 N154 P158 D165 W167 L203 V206 K207L153-Q156 WeakPolarHBondContact O-CB 3.19Å; L153-Q156 WeakPolarHBondContact O-CG 3.33Å; L153-Q156 PolarHBondContact O-N 2.92Å; L153-Q156 VanDerWaalsContact O-N 3.1Å; N154-Q156 PolarHBondContact O-N 3.01Å; N154-Q156 VanDerWaalsContact O-N 3.07Å; Q156-P158 WeakPolarHBondContact O-CD 3.2Å; Q156-D165 PolarHBondContact NE2-O 3.34Å; Q156-W167 HydrophobicContact CG-CB 3.9Å; Q156-W167 HydrophobicContact CG-CG 4.47Å; Q156-L203 HydrophobicContact CB-CD1 3.64Å; Q156-L203 HydrophobicContact CG-CD1 3.66Å; Q156-V206 HydrophobicContact CB-CG2 3.87Å; Q156-K207 HydrophobicContact CB-CG 4.18Å; Q156-K207 WeakPolarHBondContact O-CG 3.39Å
157N92.8Very high90.9Very high5 Ų562 Ų623%0.02733%0.332CS..SBendtrans-69.9121.2179.4-172.6-40.2000110.2N154 S155 F159 L160 V206 F210 L211N154-N157 WeakPolarHBondContact O-CB 3.49Å; N154-N157 PolarHBondContact O-N 2.72Å; S155-N157 PolarHBondContact O-N 3.06Å; N157-F159 PolarHBondContact O-N 2.92Å; N157-F159 PolarHBondContact OD1-N 3.35Å; N157-L160 HydrophobicContact CB-CD1 4.15Å; N157-L160 HydrophobicContact CB-CG 4.23Å; N157-L160 PolarHBondContact O-N 3.46Å; N157-V206 HydrophobicContact CB-CB 4.4Å; N157-F210 PolarHBondContact ND2-O 3.34Å; N157-L211 PolarHBondContact ND2-O 2.88Å
158P91.5Very high90.7Very high79 Ų7956.2 Ų56.251%0.51331%0.307SS..G310 helixtrans-57.2-22.1-177-28.136.6000115.2Q156 F210Q156-P158 WeakPolarHBondContact O-CD 3.2Å; P158-F210 HydrophobicContact CG-CD1 4.49Å; P158-F210 HydrophobicContact CG-CE1 4.1Å
159F88.6Confident90.4Very high146 Ų14653.7 Ų53.764%0.6430%0.304SS*.G310 helixtrans-82.3-9.6178.9-61.7-50.3000114.3N157 F210N157-F159 PolarHBondContact O-N 2.92Å; N157-F159 PolarHBondContact OD1-N 3.35Å; F159-F210 HydrophobicContact CD2-CB 4.02Å; F159-F210 AromaticContact CD2-CD1 3.87Å; F159-F210 HydrophobicContact CD2-CD1 3.87Å; F159-F210 HydrophobicContact CD2-CG 4.15Å; F159-F210 HydrophobicContact CE2-CB 3.69Å; F159-F210 AromaticContact CE2-CD1 3.4Å; F159-F210 HydrophobicContact CE2-CD1 3.4Å; F159-F210 VanDerWaalsContact CE2-CD1 3.4Å; F159-F210 HydrophobicContact CE2-CD2 4.2Å; F159-F210 HydrophobicContact CE2-CE1 4.05Å; F159-F210 AromaticContact CE2-CG 3.49Å; F159-F210 HydrophobicContact CE2-CG 3.49Å; F159-F210 VanDerWaalsContact CE2-CG 3.49Å; F159-F210 HydrophobicContact CZ-CD1 4.07Å; F159-F210 HydrophobicContact CZ-CE1 4.26Å; F159-F210 HydrophobicContact CZ-CG 4.32Å
160L84.8Confident90Very high99 Ų9957.6 Ų57.652%0.51832%0.322SS..G310 helixtrans-101.95.5-177.2-63.4-177.8000114.2N154 N157 F212N154-L160 HydrophobicContact CB-CD1 4.35Å; N157-L160 HydrophobicContact CB-CD1 4.15Å; N157-L160 HydrophobicContact CB-CG 4.23Å; N157-L160 PolarHBondContact O-N 3.46Å; L160-F212 HydrophobicContact CD1-CD2 3.47Å; L160-F212 VanDerWaalsContact CD1-CD2 3.47Å; L160-F212 HydrophobicContact CD1-CE2 3.63Å
161G82.5Confident89.7Confident38 Ų3859 Ų5939%0.39233%0.328SS..  trans98.1-164.7-179.300000112.9
162P82.1Confident89.5Confident118 Ų11857.8 Ų57.877%0.76631%0.314SS*.SBendtrans-67.8148.4-179.128.4-33.7000111.5
163P83.5Confident89Confident73 Ų7359.8 Ų59.847%0.47432%0.321SS..  trans-56.8141.7176-24.334.1000112.4S155S155-P163 WeakPolarHBondContact O-CA 3.18Å
164Q78.1Confident87.9Confident164 Ų16465 Ų6577%0.76635%0.346SS*.SBendtrans-74.8-34.8176.6-72.2-172.4-1000112.2S155S155-Q164 PolarHBondContact OG-N 2.98Å
165D86.9Confident87Confident115 Ų11567.8 Ų67.862%0.61536%0.36SS*.SBendtrans-158.3177.1179.3-153.2-18000110.2L152 Q156L152-D165 HydrophobicContact CD1-CB 3.64Å; Q156-D165 PolarHBondContact NE2-O 3.34Å
166E88.1Confident86.7Confident140 Ų14067.2 Ų67.265%0.65436%0.356SS*.  trans-77.4121.5179.8-170176.6-173.100112.3H171E166-H171 PolarHBondContact O-NE2 3Å; E166-H171 VanDerWaalsContact O-NE2 3.17Å
167W93.1Very high86.3Confident19 Ų1970.3 Ų70.37%0.07237%0.37CS..  trans-88.3131.8167.4177.3-89000110.7F149 L152 L153 Q156 F172 S199 L202 L203F149-W167 HydrophobicContact CD2-CH2 4.26Å; F149-W167 HydrophobicContact CD2-CZ3 4.31Å; F149-W167 AromaticContact CE2-CH2 3.55Å; F149-W167 HydrophobicContact CE2-CH2 3.55Å; F149-W167 HydrophobicContact CE2-CZ3 4.04Å; F149-W167 AromaticContact CZ-CH2 3.83Å; F149-W167 HydrophobicContact CZ-CH2 3.83Å; F149-W167 HydrophobicContact CZ-CZ3 4.48Å; L152-W167 HydrophobicContact CD2-CE3 3.98Å; L152-W167 HydrophobicContact CG-CE3 3.99Å; L153-W167 HydrophobicContact CB-CE3 4.25Å; L153-W167 HydrophobicContact CB-CH2 4.28Å; L153-W167 HydrophobicContact CB-CZ3 3.85Å; L153-W167 HydrophobicContact CD1-CD2 4.1Å; L153-W167 HydrophobicContact CD1-CE3 4.13Å; L153-W167 HydrophobicContact CD1-CH2 3.87Å; L153-W167 HydrophobicContact CD1-CZ2 3.86Å; L153-W167 HydrophobicContact CD1-CZ3 4.02Å; L153-W167 HydrophobicContact CD2-CH2 4.45Å; L153-W167 HydrophobicContact CG-CH2 4.42Å; L153-W167 HydrophobicContact CG-CZ3 4.42Å; Q156-W167 HydrophobicContact CG-CB 3.9Å; Q156-W167 HydrophobicContact CG-CG 4.47Å; W167-F172 HydrophobicContact CH2-CE2 4.46Å; W167-F172 AromaticContact CH2-CZ 3.79Å; W167-F172 HydrophobicContact CH2-CZ 3.79Å; W167-F172 HydrophobicContact CZ2-CE2 4.03Å; W167-F172 AromaticContact CZ2-CZ 3.59Å; W167-F172 HydrophobicContact CZ2-CZ 3.59Å; W167-S199 PolarHBondContact NE1-O 3.32Å; W167-S199 PolarHBondContact NE1-OG 3.45Å; W167-L202 HydrophobicContact CH2-CB 4.47Å; W167-L202 HydrophobicContact CH2-CD1 4.24Å; W167-L202 HydrophobicContact CZ2-CB 3.76Å; W167-L202 HydrophobicContact CZ2-CD1 3.94Å; W167-L203 HydrophobicContact CB-CD1 4.42Å; W167-L203 HydrophobicContact CG-CD1 4.12Å
168G91.2Very high86.2Confident4 Ų470.2 Ų70.24%0.04137%0.369CS..SBendtrans-172.2-177.2177.300000115.5Q170 H171 F172 S199G168-Q170 PolarHBondContact O-N 3.3Å; G168-Q170 PolarHBondContact O-OE1 3.3Å; G168-H171 PolarHBondContact O-CD2 2.82Å; G168-F172 WeakPolarHBondContact O-CE2 3.4Å; G168-S199 WeakPolarHBondContact CA-OG 3.41Å
169P88.8Confident86.1Confident51 Ų5170.7 Ų70.733%0.33136%0.361SS..G310 helixtrans-64.7-17.8-176.127.4-35000114.2H171 F172 A195 E196P169-H171 PolarHBondContact O-N 3.43Å; P169-H171 VanDerWaalsContact O-N 3.1Å; P169-F172 PolarHBondContact O-N 3.44Å; P169-A195 HydrophobicContact CB-CB 3.76Å; P169-E196 HydrophobicContact CB-CG 4.39Å
170Q87.3Confident86.2Confident82 Ų8264.1 Ų64.138%0.38333%0.332SS..G310 helixtrans-58.2-25.8-178.367.3-82.51800114.1G168 F172 K267G168-Q170 PolarHBondContact O-N 3.3Å; G168-Q170 PolarHBondContact O-OE1 3.3Å; Q170-F172 VanDerWaalsContact C-N 3.26Å; Q170-F172 PolarHBondContact O-N 3.34Å; Q170-K267 VanDerWaalsContact O-CE 3.31Å; Q170-K267 WeakPolarHBondContact O-CE 3.42Å; Q170-K267 PolarHBondContact O-NZ 3.27Å; Q170-K267 VanDerWaalsContact O-NZ 3.12Å
171H90.8Very high86.4Confident33 Ų3362.2 Ų62.215%0.15332%0.318CS..G310 helixtrans-75.8-13.6-179.2-56.1-40.7000113.4W148 E166 G168 P169 I268W148-H171 HydrophobicContact CH2-CB 4.07Å; W148-H171 HydrophobicContact CZ2-CB 4.42Å; W148-H171 AromaticContact CZ2-CG 3.98Å; W148-H171 AromaticContact CZ2-ND1 3.72Å; E166-H171 PolarHBondContact O-NE2 3Å; E166-H171 VanDerWaalsContact O-NE2 3.17Å; G168-H171 PolarHBondContact O-CD2 2.82Å; P169-H171 PolarHBondContact O-N 3.43Å; P169-H171 VanDerWaalsContact O-N 3.1Å; H171-I268 PolarHBondContact O-N 3.15Å
172F90.8Very high86.5Confident4 Ų464 Ų642%0.01831%0.314CS..EExtended strand (participates in β ladder)trans-113.4158.6-174.8-50.3-88.2000111.3W167 G168 P169 Q170 V176 A195 V198 L202 I268 I271W167-F172 HydrophobicContact CH2-CE2 4.46Å; W167-F172 AromaticContact CH2-CZ 3.79Å; W167-F172 HydrophobicContact CH2-CZ 3.79Å; W167-F172 HydrophobicContact CZ2-CE2 4.03Å; W167-F172 AromaticContact CZ2-CZ 3.59Å; W167-F172 HydrophobicContact CZ2-CZ 3.59Å; G168-F172 WeakPolarHBondContact O-CE2 3.4Å; P169-F172 PolarHBondContact O-N 3.44Å; Q170-F172 VanDerWaalsContact C-N 3.26Å; Q170-F172 PolarHBondContact O-N 3.34Å; F172-V176 HydrophobicContact CB-CB 4.06Å; F172-V176 HydrophobicContact CB-CG1 3.74Å; F172-V176 HydrophobicContact CB-CG2 4.42Å; F172-V176 HydrophobicContact CD1-CG1 4.4Å; F172-V176 HydrophobicContact CD1-CG2 4.11Å; F172-V176 HydrophobicContact CG-CG1 4.25Å; F172-A195 HydrophobicContact CB-CB 4.01Å; F172-V198 HydrophobicContact CD1-CG1 4.19Å; F172-V198 HydrophobicContact CE1-CG1 4.11Å; F172-L202 HydrophobicContact CE1-CD1 3.92Å; F172-L202 HydrophobicContact CZ-CD1 3.83Å; F172-I268 HydrophobicContact CD1-CB 3.71Å; F172-I268 HydrophobicContact CD1-CD1 3.89Å; F172-I268 HydrophobicContact CD1-CG1 4.39Å; F172-I268 HydrophobicContact CD1-CG2 3.93Å; F172-I268 HydrophobicContact CE1-CB 4.25Å; F172-I268 HydrophobicContact CE1-CD1 3.59Å; F172-I268 HydrophobicContact CE1-CG2 4.31Å; F172-I268 HydrophobicContact CZ-CD1 4.34Å; F172-I271 HydrophobicContact CD1-CD1 4.22Å; F172-I271 HydrophobicContact CE1-CD1 3.72Å
173W86.6Confident86.2Confident52 Ų5259.9 Ų59.920%0.19729%0.285CS..EExtended strand (participates in β ladder)trans-70.8147.3160-73.7101.5000109.8D175 V176 I257 K267 I268 K269W173-D175 PolarHBondContact O-N 3.05Å; W173-D175 VanDerWaalsContact O-N 3.12Å; W173-V176 VanDerWaalsContact O-CB 3.27Å; W173-V176 WeakPolarHBondContact O-CB 3.27Å; W173-V176 VanDerWaalsContact O-CG1 3.29Å; W173-V176 WeakPolarHBondContact O-CG1 3.42Å; W173-V176 PolarHBondContact O-N 3.26Å; W173-I257 HydrophobicContact CZ2-CB 4.45Å; W173-I257 HydrophobicContact CZ2-CG2 4.21Å; W173-K267 HydrophobicContact CD2-CB 4.28Å; W173-K267 HydrophobicContact CD2-CD 4.49Å; W173-K267 HydrophobicContact CG-CB 4.21Å; W173-K267 HydrophobicContact CZ2-CB 4.37Å; W173-K267 PolarHBondContact NE1-O 3.38Å; W173-I268 PolarHBondContact N-O 2.97Å; W173-K269 HydrophobicContact CB-CD 4.15Å; W173-K269 HydrophobicContact CG-CD 4.15Å
174H73.1Confident85.2Confident110 Ų11061 Ų6151%0.50929%0.291SS..EExtended strand (participates in β ladder)trans-58.5-30.1-176.462.972.4000113G194 A195H174-G194 WeakPolarHBondContact O-CA 3.28Å; H174-A195 PolarHBondContact O-N 3.4Å
175D76.4Confident84.4Confident67 Ų6758.6 Ų58.636%0.35829%0.292SS..EExtended strand (participates in β ladder)trans-101.423.8179.368.8-25.3000112.7W173 K269W173-D175 PolarHBondContact O-N 3.05Å; W173-D175 VanDerWaalsContact O-N 3.12Å; D175-K269 IonicContact OD1-NZ 3.92Å; D175-K269 PolarHBondContact OD1-NZ 3.47Å; D175-K269 IonicContact OD2-NZ 2.92Å; D175-K269 PolarHBondContact OD2-NZ 3.28Å
176V89.6Confident83.4Confident0 Ų059.9 Ų59.90%029%0.294CS..EExtended strand (participates in β ladder)trans-54142.1175.1640000111F172 W173 G194 A195 V198 I268 K269F172-V176 HydrophobicContact CB-CB 4.06Å; F172-V176 HydrophobicContact CB-CG1 3.74Å; F172-V176 HydrophobicContact CB-CG2 4.42Å; F172-V176 HydrophobicContact CD1-CG1 4.4Å; F172-V176 HydrophobicContact CD1-CG2 4.11Å; F172-V176 HydrophobicContact CG-CG1 4.25Å; W173-V176 VanDerWaalsContact O-CB 3.27Å; W173-V176 WeakPolarHBondContact O-CB 3.27Å; W173-V176 VanDerWaalsContact O-CG1 3.29Å; W173-V176 WeakPolarHBondContact O-CG1 3.42Å; W173-V176 PolarHBondContact O-N 3.26Å; V176-G194 PolarHBondContact O-N 2.7Å; V176-A195 HydrophobicContact CG1-CB 4.28Å; V176-V198 HydrophobicContact CG1-CB 3.83Å; V176-V198 HydrophobicContact CG1-CG1 4.15Å; V176-V198 HydrophobicContact CG1-CG2 3.81Å; V176-V198 HydrophobicContact CG2-CG1 4.27Å; V176-I268 HydrophobicContact CG2-CG2 4.27Å; V176-K269 WeakPolarHBondContact CA-O 3.37Å
177K85.4Confident82.7Confident78 Ų7859.2 Ų59.234%0.33929%0.291SS..EExtended strand (participates in β ladder)trans-116.9129.2173.6-56.4-173.8179.4175.50109.4Y192 K269 F270 I271 C308K177-Y192 WeakPolarHBondContact CA-O 3.13Å; K177-K269 PolarHBondContact N-O 2.9Å; K177-F270 CarbonylContact O-C 3.57Å; K177-F270 VanDerWaalsContact O-CA 3.27Å; K177-F270 WeakPolarHBondContact O-CA 3.5Å; K177-I271 PolarHBondContact O-N 3.07Å; K177-C308 VanDerWaalsContact NZ-CB 3.32Å; K177-C308 PolarHBondContact NZ-SG 2.72Å
178L92.1Very high82.2Confident2 Ų260.8 Ų60.81%0.0130%0.301CS..EExtended strand (participates in β ladder)trans-110.5120.1168.5165.265.8000108.4F180 D191 Y192 V198 R201 L202 I271 L273L178-F180 HydrophobicContact CG-CB 4.44Å; L178-D191 CarbonylContact O-C 3.57Å; L178-D191 WeakPolarHBondContact O-CA 3.38Å; L178-Y192 HydrophobicContact CD2-CD2 3.89Å; L178-Y192 HydrophobicContact CD2-CG 4.47Å; L178-Y192 HydrophobicContact CG-CD2 4.11Å; L178-Y192 PolarHBondContact N-O 2.87Å; L178-Y192 PolarHBondContact O-N 3.02Å; L178-V198 HydrophobicContact CB-CB 4.35Å; L178-V198 HydrophobicContact CB-CG1 3.87Å; L178-V198 HydrophobicContact CB-CG2 3.71Å; L178-V198 HydrophobicContact CD2-CG1 4.38Å; L178-R201 HydrophobicContact CD2-CB 4.39Å; L178-R201 HydrophobicContact CD2-CG 4.24Å; L178-L202 HydrophobicContact CD2-CD2 4.33Å; L178-L202 HydrophobicContact CD2-CG 4.27Å; L178-I271 CarbonylContact C-O 3.59Å; L178-I271 VanDerWaalsContact CA-O 3.29Å; L178-I271 WeakPolarHBondContact CA-O 3.36Å; L178-I271 HydrophobicContact CB-CB 4.45Å; L178-I271 HydrophobicContact CD1-CB 3.74Å; L178-I271 HydrophobicContact CD1-CG2 3.64Å; L178-L273 HydrophobicContact CD1-CB 4.02Å
179R88.3Confident82.1Confident89 Ų8964.1 Ų64.134%0.33632%0.321SS..EExtended strand (participates in β ladder)trans-101.1117.2164.9-172.9167.9-68.8170.1-6.6109.4Y181 V189 D191 I271 N272 L273R179-Y181 HydrophobicContact CB-CE2 4.23Å; R179-Y181 WeakPolarHBondContact CD-OH 3.27Å; R179-Y181 HydrophobicContact CG-CD2 4.12Å; R179-Y181 HydrophobicContact CG-CE2 3.45Å; R179-Y181 VanDerWaalsContact CG-CE2 3.45Å; R179-V189 HydrophobicContact CG-CG1 3.86Å; R179-D191 VanDerWaalsContact CB-OD1 3.27Å; R179-D191 WeakPolarHBondContact CB-OD1 3.33Å; R179-D191 WeakPolarHBondContact CG-OD1 3.45Å; R179-D191 IonicContact CZ-OD1 3.58Å; R179-D191 IonicContact NE-OD1 2.98Å; R179-D191 PolarHBondContact NE-OD1 3.34Å; R179-D191 IonicContact NE-OD2 2.85Å; R179-D191 IonicContact NH2-OD1 3.63Å; R179-D191 IonicContact NH2-OD2 3.03Å; R179-I271 PolarHBondContact N-O 3.45Å; R179-N272 WeakPolarHBondContact CB-OD1 3.37Å; R179-N272 CarbonylContact O-C 3.54Å; R179-N272 WeakPolarHBondContact O-CA 3.35Å; R179-L273 PolarHBondContact O-N 3.38Å
180F90.5Very high82Confident9 Ų963.9 Ų63.94%0.03932%0.318CS..EExtended strand (participates in β ladder)trans-110.2116.7-176.6-176.2-145000110.9L178 Y182 V189 T190 Y192 L205 L273 I275L178-F180 HydrophobicContact CG-CB 4.44Å; F180-Y182 AromaticContact CD1-CD1 3.92Å; F180-Y182 HydrophobicContact CD1-CD1 3.92Å; F180-Y182 HydrophobicContact CD1-CE1 4.45Å; F180-Y182 AromaticContact CE1-CD1 3.74Å; F180-Y182 HydrophobicContact CE1-CD1 3.74Å; F180-Y182 HydrophobicContact CE1-CE1 4.43Å; F180-Y182 HydrophobicContact CE1-CG 4.3Å; F180-Y182 HydrophobicContact CG-CD1 4.46Å; F180-Y182 HydrophobicContact CZ-CD1 4.15Å; F180-Y182 HydrophobicContact CZ-CG 4.34Å; F180-V189 CarbonylContact O-C 3.59Å; F180-V189 WeakPolarHBondContact O-CA 3.47Å; F180-T190 PolarHBondContact N-O 3.36Å; F180-T190 PolarHBondContact O-N 3.25Å; F180-Y192 HydrophobicContact CB-CE2 4.16Å; F180-L205 HydrophobicContact CE1-CD2 4.3Å; F180-L205 HydrophobicContact CZ-CD2 4.11Å; F180-L273 CarbonylContact C-O 3.57Å; F180-L273 WeakPolarHBondContact CA-O 3.37Å; F180-L273 HydrophobicContact CD2-CB 4Å; F180-L273 HydrophobicContact CD2-CD2 3.76Å; F180-L273 HydrophobicContact CD2-CG 3.74Å; F180-L273 HydrophobicContact CE2-CD2 3.74Å; F180-L273 HydrophobicContact CE2-CG 3.87Å; F180-I275 HydrophobicContact CE2-CB 4.31Å; F180-I275 HydrophobicContact CE2-CD1 3.77Å; F180-I275 HydrophobicContact CE2-CG1 3.95Å; F180-I275 HydrophobicContact CZ-CD1 4.01Å
181Y88.8Confident81.9Confident58 Ų5863.5 Ų63.523%0.22732%0.319CS..EExtended strand (participates in β ladder)trans-103.6129.2174-57.8-97.6000109.2R179 N188 V189 L273 K274 I275R179-Y181 HydrophobicContact CB-CE2 4.23Å; R179-Y181 WeakPolarHBondContact CD-OH 3.27Å; R179-Y181 HydrophobicContact CG-CD2 4.12Å; R179-Y181 HydrophobicContact CG-CE2 3.45Å; R179-Y181 VanDerWaalsContact CG-CE2 3.45Å; Y181-N188 WeakPolarHBondContact CA-O 3.33Å; Y181-V189 HydrophobicContact CD1-CB 4.31Å; Y181-V189 HydrophobicContact CD1-CG1 4.03Å; Y181-V189 HydrophobicContact CD1-CG2 3.48Å; Y181-V189 VanDerWaalsContact CD1-CG2 3.48Å; Y181-V189 HydrophobicContact CE1-CB 4.41Å; Y181-V189 HydrophobicContact CE1-CG1 3.83Å; Y181-V189 HydrophobicContact CE1-CG2 3.64Å; Y181-V189 HydrophobicContact CG-CG2 4.48Å; Y181-L273 PolarHBondContact N-O 2.86Å; Y181-K274 HydrophobicContact CD2-CB 4.48Å; Y181-K274 CarbonylContact O-C 3.58Å; Y181-K274 VanDerWaalsContact O-CA 3.3Å; Y181-K274 WeakPolarHBondContact O-CA 3.28Å; Y181-I275 PolarHBondContact O-N 3.39Å
182Y85Confident81.6Confident77 Ų7764.3 Ų64.330%0.30232%0.321SS..EExtended strand (participates in β ladder)trans-141.6141.7174.463.5-85.5000112.1F180 T184 N188 I275F180-Y182 AromaticContact CD1-CD1 3.92Å; F180-Y182 HydrophobicContact CD1-CD1 3.92Å; F180-Y182 HydrophobicContact CD1-CE1 4.45Å; F180-Y182 AromaticContact CE1-CD1 3.74Å; F180-Y182 HydrophobicContact CE1-CD1 3.74Å; F180-Y182 HydrophobicContact CE1-CE1 4.43Å; F180-Y182 HydrophobicContact CE1-CG 4.3Å; F180-Y182 HydrophobicContact CG-CD1 4.46Å; F180-Y182 HydrophobicContact CZ-CD1 4.15Å; F180-Y182 HydrophobicContact CZ-CG 4.34Å; Y182-T184 HydrophobicContact CD2-CG2 4.31Å; Y182-N188 HydrophobicContact CD1-CB 4.06Å; Y182-N188 HydrophobicContact CD2-CB 4.01Å; Y182-N188 HydrophobicContact CE1-CB 3.6Å; Y182-N188 HydrophobicContact CE2-CB 3.55Å; Y182-N188 HydrophobicContact CG-CB 4.24Å; Y182-N188 PolarHBondContact N-O 2.94Å; Y182-N188 VanDerWaalsContact N-O 3.08Å; Y182-N188 PolarHBondContact O-N 2.77Å; Y182-I275 WeakPolarHBondContact CA-O 3.31Å
183N75.3Confident81.4Confident30 Ų3069.3 Ų69.316%0.1634%0.344CS..EExtended strand (participates in β ladder)trans-119107.6179.6-7323.6000109.8I275 G277N183-I275 PolarHBondContact N-O 3.24Å; N183-I275 VanDerWaalsContact N-O 3.13Å; N183-G277 PolarHBondContact O-N 3.28Å
184T62.7Low81.1Confident97 Ų9767.6 Ų67.660%0.59534%0.342SS*.SBendtrans-102.4-38.2168.851.40000111Y182Y182-T184 HydrophobicContact CD2-CG2 4.31Å
185S61.8Low81.6Confident113 Ų11362.5 Ų62.579%0.7932%0.32SS*.SBendtrans-156.4-3817451.10000111.2
186E64.8Low82Confident142 Ų14264.7 Ų64.766%0.66433%0.328SS*.SBendtrans-113.9156.5172.7-64.3177.5-172.800110.7N188E186-N188 PolarHBondContact O-N 3.16Å; E186-N188 PolarHBondContact O-ND2 2.94Å
187Q75Confident81.9Confident127 Ų12769 Ų6959%0.59335%0.35SS*.EExtended strand (participates in β ladder)trans-80.1104.8177.6-175.5169.7-17.800109.9
188N83.1Confident82.2Confident52 Ų5265.3 Ų65.328%0.27833%0.334SS..EExtended strand (participates in β ladder)trans-99.7145.2179.4-70.5-86.6000111Y181 Y182 E186Y181-N188 WeakPolarHBondContact CA-O 3.33Å; Y182-N188 HydrophobicContact CD1-CB 4.06Å; Y182-N188 HydrophobicContact CD2-CB 4.01Å; Y182-N188 HydrophobicContact CE1-CB 3.6Å; Y182-N188 HydrophobicContact CE2-CB 3.55Å; Y182-N188 HydrophobicContact CG-CB 4.24Å; Y182-N188 PolarHBondContact N-O 2.94Å; Y182-N188 VanDerWaalsContact N-O 3.08Å; Y182-N188 PolarHBondContact O-N 2.77Å; E186-N188 PolarHBondContact O-N 3.16Å; E186-N188 PolarHBondContact O-ND2 2.94Å
189V87.4Confident82.4Confident74 Ų7465.4 Ų65.445%0.44833%0.334SS..EExtended strand (participates in β ladder)trans-133.2131.2175.9-168.90000109.3R179 F180 Y181R179-V189 HydrophobicContact CG-CG1 3.86Å; F180-V189 CarbonylContact O-C 3.59Å; F180-V189 WeakPolarHBondContact O-CA 3.47Å; Y181-V189 HydrophobicContact CD1-CB 4.31Å; Y181-V189 HydrophobicContact CD1-CG1 4.03Å; Y181-V189 HydrophobicContact CD1-CG2 3.48Å; Y181-V189 VanDerWaalsContact CD1-CG2 3.48Å; Y181-V189 HydrophobicContact CE1-CB 4.41Å; Y181-V189 HydrophobicContact CE1-CG1 3.83Å; Y181-V189 HydrophobicContact CE1-CG2 3.64Å; Y181-V189 HydrophobicContact CG-CG2 4.48Å
190T86.9Confident82.6Confident46 Ų4666.3 Ų66.328%0.28235%0.345SS..EExtended strand (participates in β ladder)trans-134.4131175-49.30000109.8F180 Y192F180-T190 PolarHBondContact N-O 3.36Å; F180-T190 PolarHBondContact O-N 3.25Å; T190-Y192 HydrophobicContact CG2-CD2 4.32Å; T190-Y192 HydrophobicContact CG2-CE1 4.26Å; T190-Y192 HydrophobicContact CG2-CE2 3.61Å
191D84.8Confident82.9Confident73 Ų7368.2 Ų68.239%0.3935%0.352SS..EExtended strand (participates in β ladder)trans-101.1134.6175.4-73.8-45.2000109.9L178 R179L178-D191 CarbonylContact O-C 3.57Å; L178-D191 WeakPolarHBondContact O-CA 3.38Å; R179-D191 VanDerWaalsContact CB-OD1 3.27Å; R179-D191 WeakPolarHBondContact CB-OD1 3.33Å; R179-D191 WeakPolarHBondContact CG-OD1 3.45Å; R179-D191 IonicContact CZ-OD1 3.58Å; R179-D191 IonicContact NE-OD1 2.98Å; R179-D191 PolarHBondContact NE-OD1 3.34Å; R179-D191 IonicContact NE-OD2 2.85Å; R179-D191 IonicContact NH2-OD1 3.63Å; R179-D191 IonicContact NH2-OD2 3.03Å
192Y85.9Confident83.3Confident51 Ų5165.5 Ų65.520%0.234%0.342CS..EExtended strand (participates in β ladder)trans-121.4142.5173.8-57.6-92.7000109.3K177 L178 F180 T190 I197 R201K177-Y192 WeakPolarHBondContact CA-O 3.13Å; L178-Y192 HydrophobicContact CD2-CD2 3.89Å; L178-Y192 HydrophobicContact CD2-CG 4.47Å; L178-Y192 HydrophobicContact CG-CD2 4.11Å; L178-Y192 PolarHBondContact N-O 2.87Å; L178-Y192 PolarHBondContact O-N 3.02Å; F180-Y192 HydrophobicContact CB-CE2 4.16Å; T190-Y192 HydrophobicContact CG2-CD2 4.32Å; T190-Y192 HydrophobicContact CG2-CE1 4.26Å; T190-Y192 HydrophobicContact CG2-CE2 3.61Å; Y192-I197 HydrophobicContact CD1-CG2 3.73Å; Y192-I197 HydrophobicContact CG-CG2 4.4Å; Y192-R201 HydrophobicContact CD1-CB 4.24Å; Y192-R201 HydrophobicContact CD1-CG 4.32Å; Y192-R201 HydrophobicContact CD2-CG 4.16Å; Y192-R201 HydrophobicContact CE1-CB 4.18Å; Y192-R201 HydrophobicContact CE1-CG 3.89Å; Y192-R201 HydrophobicContact CE2-CG 3.72Å; Y192-R201 HydrophobicContact CG-CB 4.45Å; Y192-R201 HydrophobicContact CG-CG 4.44Å; Y192-R201 WeakPolarHBondContact OH-CD 3.33Å; Y192-R201 PolarHBondContact OH-NE 2.99Å
193H85.8Confident83.8Confident108 Ų10863 Ų6350%0.533%0.333SS..EExtended strand (participates in β ladder)trans-130.8136.7-174.8-60.7-74.6000110.5
194G80.1Confident84.7Confident16 Ų1662 Ų6217%0.16533%0.328CS..SBendtrans97143.417800000113.1H174 V176 E196 I197 V198H174-G194 WeakPolarHBondContact O-CA 3.28Å; V176-G194 PolarHBondContact O-N 2.7Å; G194-E196 VanDerWaalsContact C-N 3.28Å; G194-E196 PolarHBondContact O-N 3.15Å; G194-I197 PolarHBondContact O-N 3.14Å; G194-V198 WeakPolarHBondContact O-CB 3.48Å; G194-V198 VanDerWaalsContact O-CG2 3.28Å; G194-V198 WeakPolarHBondContact O-CG2 3.42Å; G194-V198 PolarHBondContact O-N 3.1Å
195A83.1Confident86.3Confident4 Ų457.4 Ų57.43%0.03330%0.301CS..Hα-helixtrans-58.2-39.4-17500000112.9P169 F172 H174 V176 S199P169-A195 HydrophobicContact CB-CB 3.76Å; F172-A195 HydrophobicContact CB-CB 4.01Å; H174-A195 PolarHBondContact O-N 3.4Å; V176-A195 HydrophobicContact CG1-CB 4.28Å; A195-S199 WeakPolarHBondContact O-CB 3.36Å; A195-S199 PolarHBondContact O-N 2.82Å
196E86.4Confident87.9Confident113 Ų11352 Ų5253%0.52826%0.263SS..Hα-helixtrans-65.8-52.2-179.1-63.773-161.800111P169 G194 S199 L200P169-E196 HydrophobicContact CB-CG 4.39Å; G194-E196 VanDerWaalsContact C-N 3.28Å; G194-E196 PolarHBondContact O-N 3.15Å; E196-S199 PolarHBondContact O-N 2.96Å; E196-L200 WeakPolarHBondContact O-CB 3.41Å; E196-L200 VanDerWaalsContact O-CG 3.28Å; E196-L200 WeakPolarHBondContact O-CG 3.39Å; E196-L200 PolarHBondContact O-N 3.18Å
197I86.1Confident89.1Confident90 Ų9049.2 Ų49.246%0.46225%0.249SC..Hα-helixtrans-67.7-42.1-176.8-56.1-58.1000110.9Y192 G194 L200 R201Y192-I197 HydrophobicContact CD1-CG2 3.73Å; Y192-I197 HydrophobicContact CG-CG2 4.4Å; G194-I197 PolarHBondContact O-N 3.14Å; I197-L200 PolarHBondContact O-N 2.95Å; I197-R201 WeakPolarHBondContact O-CB 3.36Å; I197-R201 PolarHBondContact O-N 3.2Å
198V93.2Very high89.9Confident0 Ų049.9 Ų49.90%025%0.252CS..Hα-helixtrans-64-45.8177170.20000111.1F172 V176 L178 G194 R201 L202 I271F172-V198 HydrophobicContact CD1-CG1 4.19Å; F172-V198 HydrophobicContact CE1-CG1 4.11Å; V176-V198 HydrophobicContact CG1-CB 3.83Å; V176-V198 HydrophobicContact CG1-CG1 4.15Å; V176-V198 HydrophobicContact CG1-CG2 3.81Å; V176-V198 HydrophobicContact CG2-CG1 4.27Å; L178-V198 HydrophobicContact CB-CB 4.35Å; L178-V198 HydrophobicContact CB-CG1 3.87Å; L178-V198 HydrophobicContact CB-CG2 3.71Å; L178-V198 HydrophobicContact CD2-CG1 4.38Å; G194-V198 WeakPolarHBondContact O-CB 3.48Å; G194-V198 VanDerWaalsContact O-CG2 3.28Å; G194-V198 WeakPolarHBondContact O-CG2 3.42Å; G194-V198 PolarHBondContact O-N 3.1Å; V198-R201 PolarHBondContact O-N 3.05Å; V198-L202 HydrophobicContact CG1-CD1 4.05Å; V198-L202 WeakPolarHBondContact O-CG 3.46Å; V198-L202 PolarHBondContact O-N 3.3Å; V198-I271 HydrophobicContact CG1-CD1 3.91Å
199S95Very high90.4Very high4 Ų450.3 Ų50.33%0.02825%0.252CS..Hα-helixtrans-58.6-49.5176.41750000111.6W167 G168 A195 E196 R201 L202 L203W167-S199 PolarHBondContact NE1-O 3.32Å; W167-S199 PolarHBondContact NE1-OG 3.45Å; G168-S199 WeakPolarHBondContact CA-OG 3.41Å; A195-S199 WeakPolarHBondContact O-CB 3.36Å; A195-S199 PolarHBondContact O-N 2.82Å; E196-S199 PolarHBondContact O-N 2.96Å; S199-R201 PolarHBondContact O-N 3.28Å; S199-L202 PolarHBondContact O-N 3.03Å; S199-L203 VanDerWaalsContact O-CB 3.29Å; S199-L203 WeakPolarHBondContact O-CB 3.13Å; S199-L203 PolarHBondContact O-N 3.08Å
200L93.1Very high90.7Very high108 Ų10850.2 Ų50.257%0.56525%0.245SC*.Hα-helixtrans-63-41.5179.4-74.2171.9000111.9E196 I197 L203 S204E196-L200 WeakPolarHBondContact O-CB 3.41Å; E196-L200 VanDerWaalsContact O-CG 3.28Å; E196-L200 WeakPolarHBondContact O-CG 3.39Å; E196-L200 PolarHBondContact O-N 3.18Å; I197-L200 PolarHBondContact O-N 2.95Å; L200-L203 WeakPolarHBondContact O-CB 3.19Å; L200-L203 PolarHBondContact O-N 3.46Å; L200-S204 PolarHBondContact O-N 3.31Å
201R96.4Very high91.1Very high50 Ų5048.6 Ų48.619%0.18924%0.235CC..Hα-helixtrans-65.8-46179.6-177.562.8-165.4141.74.4111.6L178 Y192 I197 V198 S199 L203 S204 L205 E209L178-R201 HydrophobicContact CD2-CB 4.39Å; L178-R201 HydrophobicContact CD2-CG 4.24Å; Y192-R201 HydrophobicContact CD1-CB 4.24Å; Y192-R201 HydrophobicContact CD1-CG 4.32Å; Y192-R201 HydrophobicContact CD2-CG 4.16Å; Y192-R201 HydrophobicContact CE1-CB 4.18Å; Y192-R201 HydrophobicContact CE1-CG 3.89Å; Y192-R201 HydrophobicContact CE2-CG 3.72Å; Y192-R201 HydrophobicContact CG-CB 4.45Å; Y192-R201 HydrophobicContact CG-CG 4.44Å; Y192-R201 WeakPolarHBondContact OH-CD 3.33Å; Y192-R201 PolarHBondContact OH-NE 2.99Å; I197-R201 WeakPolarHBondContact O-CB 3.36Å; I197-R201 PolarHBondContact O-N 3.2Å; V198-R201 PolarHBondContact O-N 3.05Å; S199-R201 PolarHBondContact O-N 3.28Å; R201-L203 VanDerWaalsContact C-N 3.28Å; R201-L203 PolarHBondContact O-N 3.17Å; R201-S204 PolarHBondContact NH1-OG 3.11Å; R201-S204 PolarHBondContact O-N 3Å; R201-S204 PolarHBondContact O-OG 3.02Å; R201-L205 PolarHBondContact O-N 3.36Å; R201-E209 IonicContact CZ-OE1 3.53Å; R201-E209 IonicContact NH1-OE1 2.77Å; R201-E209 PolarHBondContact NH1-OE1 2.81Å; R201-E209 IonicContact NH2-OE1 2.7Å; R201-E209 PolarHBondContact NH2-OE1 3.31Å; R201-E209 IonicContact NH2-OE2 2.7Å
202L97.1Very high91.6Very high0 Ų048.3 Ų48.30%023%0.231CC..Hα-helixtrans-59.9-41.6174.8-71.5169.4000111.5F149 L153 W167 F172 L178 V198 S199 S204 L205 I271 L273F149-L202 HydrophobicContact CZ-CD1 4.15Å; L153-L202 HydrophobicContact CD1-CB 4.43Å; W167-L202 HydrophobicContact CH2-CB 4.47Å; W167-L202 HydrophobicContact CH2-CD1 4.24Å; W167-L202 HydrophobicContact CZ2-CB 3.76Å; W167-L202 HydrophobicContact CZ2-CD1 3.94Å; F172-L202 HydrophobicContact CE1-CD1 3.92Å; F172-L202 HydrophobicContact CZ-CD1 3.83Å; L178-L202 HydrophobicContact CD2-CD2 4.33Å; L178-L202 HydrophobicContact CD2-CG 4.27Å; V198-L202 HydrophobicContact CG1-CD1 4.05Å; V198-L202 WeakPolarHBondContact O-CG 3.46Å; V198-L202 PolarHBondContact O-N 3.3Å; S199-L202 PolarHBondContact O-N 3.03Å; L202-S204 VanDerWaalsContact C-N 3.34Å; L202-S204 PolarHBondContact O-N 3.33Å; L202-L205 HydrophobicContact CD2-CD1 4.3Å; L202-L205 WeakPolarHBondContact O-CB 3.29Å; L202-L205 PolarHBondContact O-N 3.45Å; L202-I271 HydrophobicContact CD1-CD1 3.69Å; L202-L273 HydrophobicContact CD2-CD2 4.29Å
203L96.2Very high92.1Very high25 Ų2545.9 Ų45.913%0.13122%0.221CC..Hα-helixtrans-61.2-40.5176.7-173.861.7000112.3Q156 W167 S199 L200 R201 L205 V206 K207Q156-L203 HydrophobicContact CB-CD1 3.64Å; Q156-L203 HydrophobicContact CG-CD1 3.66Å; W167-L203 HydrophobicContact CB-CD1 4.42Å; W167-L203 HydrophobicContact CG-CD1 4.12Å; S199-L203 VanDerWaalsContact O-CB 3.29Å; S199-L203 WeakPolarHBondContact O-CB 3.13Å; S199-L203 PolarHBondContact O-N 3.08Å; L200-L203 WeakPolarHBondContact O-CB 3.19Å; L200-L203 PolarHBondContact O-N 3.46Å; R201-L203 VanDerWaalsContact C-N 3.28Å; R201-L203 PolarHBondContact O-N 3.17Å; L203-L205 PolarHBondContact O-N 2.69Å; L203-V206 HydrophobicContact CD1-CG2 4.22Å; L203-V206 WeakPolarHBondContact O-CG2 3.32Å; L203-V206 PolarHBondContact O-N 3Å; L203-V206 VanDerWaalsContact O-N 3.14Å; L203-K207 HydrophobicContact CD1-CD 3.7Å; L203-K207 HydrophobicContact CD1-CG 3.9Å; L203-K207 HydrophobicContact CD2-CD 4.07Å; L203-K207 HydrophobicContact CG-CD 3.81Å; L203-K207 HydrophobicContact CG-CG 4.17Å; L203-K207 WeakPolarHBondContact O-CB 3.29Å; L203-K207 PolarHBondContact O-N 3.08Å
204S95Very high92.6Very high8 Ų842.9 Ų42.96%0.05621%0.212CC..Hα-helixtrans-61-30.9178.666.70000112.9L200 R201 L202 V206 E208 E209L200-S204 PolarHBondContact O-N 3.31Å; R201-S204 PolarHBondContact NH1-OG 3.11Å; R201-S204 PolarHBondContact O-N 3Å; R201-S204 PolarHBondContact O-OG 3.02Å; L202-S204 VanDerWaalsContact C-N 3.34Å; L202-S204 PolarHBondContact O-N 3.33Å; S204-V206 VanDerWaalsContact C-N 3.25Å; S204-V206 PolarHBondContact O-N 3.2Å; S204-E208 WeakPolarHBondContact O-CA 3.27Å; S204-E208 WeakPolarHBondContact O-CB 3.03Å; S204-E208 PolarHBondContact O-N 2.9Å; S204-E209 PolarHBondContact O-N 3.47Å
205L95.1Very high93.3Very high2 Ų243.6 Ų43.61%0.0121%0.214CC..Hα-helixtrans-59-38.3176.2-62.1175.3000111.9F180 R201 L202 L203 E209 F210 L211 L273F180-L205 HydrophobicContact CE1-CD2 4.3Å; F180-L205 HydrophobicContact CZ-CD2 4.11Å; R201-L205 PolarHBondContact O-N 3.36Å; L202-L205 HydrophobicContact CD2-CD1 4.3Å; L202-L205 WeakPolarHBondContact O-CB 3.29Å; L202-L205 PolarHBondContact O-N 3.45Å; L203-L205 PolarHBondContact O-N 2.69Å; L205-E209 WeakPolarHBondContact CD2-OE2 3.28Å; L205-E209 CarbonylContact O-C 3.53Å; L205-E209 WeakPolarHBondContact O-CB 3.47Å; L205-F210 PolarHBondContact O-N 3.37Å; L205-L211 HydrophobicContact CB-CD1 4.31Å; L205-L211 HydrophobicContact CD2-CD1 4.25Å; L205-L211 WeakPolarHBondContact O-CB 3.14Å; L205-L211 VanDerWaalsContact O-CG 3.3Å; L205-L211 WeakPolarHBondContact O-CG 3.38Å; L205-L211 PolarHBondContact O-N 3.1Å; L205-L273 HydrophobicContact CD1-CD2 3.69Å
206V95.1Very high93.7Very high0 Ų044.6 Ų44.60%022%0.219CC..Hα-helixtrans-96.7-35.2-176.3-63.70000112.9L153 Q156 N157 L203 S204 F210 L211L153-V206 HydrophobicContact CD1-CG1 4.31Å; L153-V206 HydrophobicContact CD1-CG2 3.74Å; L153-V206 HydrophobicContact CD2-CG1 4.48Å; L153-V206 HydrophobicContact CG-CG1 3.91Å; L153-V206 HydrophobicContact CG-CG2 4.19Å; L153-V206 WeakPolarHBondContact O-CG2 3.46Å; Q156-V206 HydrophobicContact CB-CG2 3.87Å; N157-V206 HydrophobicContact CB-CB 4.4Å; L203-V206 HydrophobicContact CD1-CG2 4.22Å; L203-V206 WeakPolarHBondContact O-CG2 3.32Å; L203-V206 PolarHBondContact O-N 3Å; L203-V206 VanDerWaalsContact O-N 3.14Å; S204-V206 VanDerWaalsContact C-N 3.25Å; S204-V206 PolarHBondContact O-N 3.2Å; V206-F210 WeakPolarHBondContact O-CA 3.4Å; V206-L211 WeakPolarHBondContact CG1-O 3.4Å
207K91Very high93.9Very high83 Ų8340.9 Ų40.936%0.36120%0.202SC..Hα-helixtrans-84.5-40.1-178.1-83.4-167.7177.3172.40114Q156 L203 F210Q156-K207 HydrophobicContact CB-CG 4.18Å; Q156-K207 WeakPolarHBondContact O-CG 3.39Å; L203-K207 HydrophobicContact CD1-CD 3.7Å; L203-K207 HydrophobicContact CD1-CG 3.9Å; L203-K207 HydrophobicContact CD2-CD 4.07Å; L203-K207 HydrophobicContact CG-CD 3.81Å; L203-K207 HydrophobicContact CG-CG 4.17Å; L203-K207 WeakPolarHBondContact O-CB 3.29Å; L203-K207 PolarHBondContact O-N 3.08Å; K207-F210 WeakPolarHBondContact O-CE1 3.36Å
208E91.8Very high93.9Very high141 Ų14140.5 Ų40.566%0.65920%0.201SC*.THydrogen-bonded Turntrans-103.6-40.4-173-60.1174.7-165.200111.3S204 F210S204-E208 WeakPolarHBondContact O-CA 3.27Å; S204-E208 WeakPolarHBondContact O-CB 3.03Å; S204-E208 PolarHBondContact O-N 2.9Å; E208-F210 WeakPolarHBondContact O-CD2 3.31Å; E208-F210 VanDerWaalsContact O-CE2 3.27Å; E208-F210 WeakPolarHBondContact O-CE2 3.49Å
209E92.9Very high93.2Very high60 Ų6044.3 Ų44.328%0.2823%0.228SC..SBendtrans-91.2-4.8-179.5-58174-150.500112.9R201 S204 L205 L211 R242R201-E209 IonicContact CZ-OE1 3.53Å; R201-E209 IonicContact NH1-OE1 2.77Å; R201-E209 PolarHBondContact NH1-OE1 2.81Å; R201-E209 IonicContact NH2-OE1 2.7Å; R201-E209 PolarHBondContact NH2-OE1 3.31Å; R201-E209 IonicContact NH2-OE2 2.7Å; S204-E209 PolarHBondContact O-N 3.47Å; L205-E209 WeakPolarHBondContact CD2-OE2 3.28Å; L205-E209 CarbonylContact O-C 3.53Å; L205-E209 WeakPolarHBondContact O-CB 3.47Å; E209-L211 HydrophobicContact CB-CD1 4.35Å; E209-L211 HydrophobicContact CB-CG 4.01Å; E209-L211 PolarHBondContact O-N 3.41Å; E209-R242 PolarHBondContact O-NE 3.48Å; E209-R242 PolarHBondContact O-NH2 3.11Å
210F94Very high92.5Very high72 Ų7249.8 Ų49.832%0.31625%0.253SS..  trans53.731.2178.1-52.1-71.6000114.2N157 P158 F159 L205 V206 K207 E208N157-F210 PolarHBondContact ND2-O 3.34Å; P158-F210 HydrophobicContact CG-CD1 4.49Å; P158-F210 HydrophobicContact CG-CE1 4.1Å; F159-F210 HydrophobicContact CD2-CB 4.02Å; F159-F210 AromaticContact CD2-CD1 3.87Å; F159-F210 HydrophobicContact CD2-CD1 3.87Å; F159-F210 HydrophobicContact CD2-CG 4.15Å; F159-F210 HydrophobicContact CE2-CB 3.69Å; F159-F210 AromaticContact CE2-CD1 3.4Å; F159-F210 HydrophobicContact CE2-CD1 3.4Å; F159-F210 VanDerWaalsContact CE2-CD1 3.4Å; F159-F210 HydrophobicContact CE2-CD2 4.2Å; F159-F210 HydrophobicContact CE2-CE1 4.05Å; F159-F210 AromaticContact CE2-CG 3.49Å; F159-F210 HydrophobicContact CE2-CG 3.49Å; F159-F210 VanDerWaalsContact CE2-CG 3.49Å; F159-F210 HydrophobicContact CZ-CD1 4.07Å; F159-F210 HydrophobicContact CZ-CE1 4.26Å; F159-F210 HydrophobicContact CZ-CG 4.32Å; L205-F210 PolarHBondContact O-N 3.37Å; V206-F210 WeakPolarHBondContact O-CA 3.4Å; K207-F210 WeakPolarHBondContact O-CE1 3.36Å; E208-F210 WeakPolarHBondContact O-CD2 3.31Å; E208-F210 VanDerWaalsContact O-CE2 3.27Å; E208-F210 WeakPolarHBondContact O-CE2 3.49Å
211L95.1Very high92.1Very high12 Ų1244.6 Ų44.66%0.06323%0.226CC..  trans-75.4150.9177.7-55.3-179.5000110.4N157 L205 V206 E209 V240 H241 L247N157-L211 PolarHBondContact ND2-O 2.88Å; L205-L211 HydrophobicContact CB-CD1 4.31Å; L205-L211 HydrophobicContact CD2-CD1 4.25Å; L205-L211 WeakPolarHBondContact O-CB 3.14Å; L205-L211 VanDerWaalsContact O-CG 3.3Å; L205-L211 WeakPolarHBondContact O-CG 3.38Å; L205-L211 PolarHBondContact O-N 3.1Å; V206-L211 WeakPolarHBondContact CG1-O 3.4Å; E209-L211 HydrophobicContact CB-CD1 4.35Å; E209-L211 HydrophobicContact CB-CG 4.01Å; E209-L211 PolarHBondContact O-N 3.41Å; L211-V240 HydrophobicContact CB-CG1 4.15Å; L211-V240 HydrophobicContact CD1-CG1 4.13Å; L211-V240 HydrophobicContact CD2-CG1 3.95Å; L211-V240 HydrophobicContact CG-CG1 4.3Å; L211-H241 CarbonylContact C-O 3.46Å; L211-H241 WeakPolarHBondContact CA-O 3.47Å; L211-L247 HydrophobicContact CD2-CD1 3.7Å
212F96.1Very high91.9Very high68 Ų6842.6 Ų42.630%0.29822%0.218SC..EExtended strand (participates in β ladder)trans-123.8120.8168.6178.5-100.4000108.6N154 L160 V240 H241N154-F212 HydrophobicContact CB-CD2 3.73Å; N154-F212 HydrophobicContact CB-CE2 3.67Å; N154-F212 VanDerWaalsContact CG-CD2 3.49Å; N154-F212 WeakPolarHBondContact ND2-CE2 3.13Å; L160-F212 HydrophobicContact CD1-CD2 3.47Å; L160-F212 VanDerWaalsContact CD1-CD2 3.47Å; L160-F212 HydrophobicContact CD1-CE2 3.63Å; F212-V240 WeakPolarHBondContact O-CA 3.49Å; F212-H241 HydrophobicContact CB-CB 4.27Å; F212-H241 HydrophobicContact CD1-CB 4.37Å; F212-H241 PolarHBondContact N-O 3.35Å; F212-H241 PolarHBondContact O-N 3.06Å
213L96.4Very high91.5Very high0 Ų045.8 Ų45.80%023%0.232CC..EExtended strand (participates in β ladder)trans-96.9109.3-179-61.8176.9000109.1F150 L153 N154 P215 V240 F250F150-L213 HydrophobicContact CD1-CB 3.78Å; F150-L213 HydrophobicContact CD1-CD1 4.24Å; F150-L213 HydrophobicContact CE1-CB 4.04Å; F150-L213 HydrophobicContact CE1-CD1 4.04Å; L153-L213 HydrophobicContact CD2-CD1 4.14Å; N154-L213 PolarHBondContact ND2-O 3.03Å; N154-L213 PolarHBondContact OD1-N 3.01Å; L213-P215 VanDerWaalsContact O-CD 3.23Å; L213-P215 WeakPolarHBondContact O-CD 3.49Å; L213-V240 HydrophobicContact CD2-CB 4.43Å; L213-V240 HydrophobicContact CD2-CG1 4.19Å; L213-V240 HydrophobicContact CD2-CG2 3.78Å; L213-F250 HydrophobicContact CB-CE1 3.96Å; L213-F250 HydrophobicContact CB-CZ 4.19Å; L213-F250 HydrophobicContact CD2-CD1 3.9Å; L213-F250 HydrophobicContact CD2-CE1 4.13Å; L213-F250 HydrophobicContact CD2-CG 4.31Å
214S95.4Very high91.2Very high44 Ų4446.4 Ų46.431%0.30824%0.239SC..EExtended strand (participates in β ladder)trans-100.299.3178.6-174.50000110.1G238 T239S214-G238 CarbonylContact O-C 3.55Å; S214-G238 WeakPolarHBondContact O-CA 3.37Å; S214-T239 PolarHBondContact N-O 3.07Å; S214-T239 PolarHBondContact O-N 3.2Å
215P95.3Very high90.6Very high32 Ų3246.8 Ų46.821%0.20824%0.242CC..EExtended strand (participates in β ladder)trans-71.2140.2-17931.5-36.8000111.2F150 L213 L217 V236 F250F150-P215 HydrophobicContact CB-CG 4.06Å; F150-P215 HydrophobicContact CD2-CB 3.7Å; F150-P215 HydrophobicContact CD2-CG 3.61Å; F150-P215 HydrophobicContact CE2-CB 3.84Å; F150-P215 HydrophobicContact CE2-CG 4.28Å; F150-P215 HydrophobicContact CG-CB 4.28Å; F150-P215 HydrophobicContact CG-CG 3.91Å; L213-P215 VanDerWaalsContact O-CD 3.23Å; L213-P215 WeakPolarHBondContact O-CD 3.49Å; P215-L217 HydrophobicContact CB-CD2 3.98Å; P215-L217 HydrophobicContact CB-CG 4.5Å; P215-L217 HydrophobicContact CG-CD2 4.32Å; P215-V236 HydrophobicContact CB-CG2 3.69Å; P215-F250 HydrophobicContact CB-CZ 4.39Å
216N91.6Very high90Very high24 Ų2448.8 Ų48.813%0.12826%0.256CS..  trans-89.7107.2169.3176.613.5000108.6D218 G221 A237 P289N216-D218 VanDerWaalsContact C-N 3.34Å; N216-D218 VanDerWaalsContact OD1-CB 3.25Å; N216-D218 WeakPolarHBondContact OD1-CB 3.34Å; N216-D218 VanDerWaalsContact OD1-CG 3.31Å; N216-D218 PolarHBondContact OD1-N 3.34Å; N216-D218 PolarHBondContact OD1-OD2 2.95Å; N216-G221 CarbonylContact O-C 3.59Å; N216-G221 WeakPolarHBondContact O-CA 3.34Å; N216-A237 VanDerWaalsContact CB-O 3.3Å; N216-A237 WeakPolarHBondContact CB-O 3.44Å; N216-A237 PolarHBondContact N-O 3.42Å; N216-P289 PolarHBondContact ND2-O 3.37Å
217L89.8Confident88.8Confident35 Ų3549.4 Ų49.418%0.18326%0.261CS..  trans-92.96.6-177.8-55.1-177.3000113.6C146 H147 P215 V236C146-L217 HydrophobicContact CB-CD2 3.57Å; H147-L217 WeakPolarHBondContact CE1-CD1 3.33Å; H147-L217 WeakPolarHBondContact NE2-CD1 3.47Å; P215-L217 HydrophobicContact CB-CD2 3.98Å; P215-L217 HydrophobicContact CB-CG 4.5Å; P215-L217 HydrophobicContact CG-CD2 4.32Å; L217-V236 HydrophobicContact CD2-CG2 4.32Å
218D87.4Confident87.4Confident82 Ų8251.6 Ų51.644%0.43928%0.283SS..SBendtrans-63.8165.5171-65.7-16000111.3N216 H220 G221 L222 K288N216-D218 VanDerWaalsContact C-N 3.34Å; N216-D218 VanDerWaalsContact OD1-CB 3.25Å; N216-D218 WeakPolarHBondContact OD1-CB 3.34Å; N216-D218 VanDerWaalsContact OD1-CG 3.31Å; N216-D218 PolarHBondContact OD1-N 3.34Å; N216-D218 PolarHBondContact OD1-OD2 2.95Å; D218-H220 PolarHBondContact O-N 3.33Å; D218-G221 PolarHBondContact O-N 2.85Å; D218-L222 PolarHBondContact O-N 3.08Å; D218-K288 WeakPolarHBondContact OD2-CE 3.22Å; D218-K288 IonicContact OD2-NZ 2.71Å; D218-K288 PolarHBondContact OD2-NZ 2.96Å
219S78.3Confident86.1Confident80 Ų8052.4 Ų52.456%0.55929%0.287SS*.THydrogen-bonded Turntrans-52.7-23.9178.356.10000115.7
220H80.1Confident85.2Confident119 Ų11951.5 Ų51.555%0.55129%0.293SS*.THydrogen-bonded Turntrans-93.7-23.1176.8-67-73.8000113.6D218 A290 V291D218-H220 PolarHBondContact O-N 3.33Å; H220-A290 HydrophobicContact CB-CB 4.5Å; H220-A290 VanDerWaalsContact O-CA 3.26Å; H220-A290 WeakPolarHBondContact O-CA 3.44Å; H220-V291 PolarHBondContact O-N 3.21Å; H220-V291 VanDerWaalsContact O-N 3.13Å
221G84.8Confident84.6Confident0 Ų048.5 Ų48.50%028%0.281CS..THydrogen-bonded Turntrans-94.3-18.1-17600000113.7N216 D218 V236 A237 V291N216-G221 CarbonylContact O-C 3.59Å; N216-G221 WeakPolarHBondContact O-CA 3.34Å; D218-G221 PolarHBondContact O-N 2.85Å; G221-V236 CarbonylContact O-C 3.52Å; G221-V236 VanDerWaalsContact O-CA 3.23Å; G221-V236 WeakPolarHBondContact O-CA 3.34Å; G221-A237 PolarHBondContact O-N 2.97Å; G221-V291 WeakPolarHBondContact O-CG2 3.44Å
222L90.7Very high84.2Confident7 Ų748 Ų484%0.03728%0.278CS..EExtended strand (participates in β ladder)trans-127126.6176.6178.269.3000110.7E143 D218 V234 G235 V236E143-L222 HydrophobicContact CB-CD2 4.21Å; E143-L222 HydrophobicContact CG-CD2 3.4Å; D218-L222 PolarHBondContact O-N 3.08Å; L222-V234 HydrophobicContact CD1-CG1 3.71Å; L222-G235 CarbonylContact C-O 3.57Å; L222-G235 WeakPolarHBondContact CA-O 3.18Å; L222-V236 HydrophobicContact CD1-CB 4.24Å
223K90Very high83.9Confident67 Ų6744.9 Ų44.929%0.29126%0.264SS..EExtended strand (participates in β ladder)trans-125.7138171.4-69.9-173.2-176.7-178.70109.4G235 V291 F293 E294K223-G235 PolarHBondContact N-O 2.87Å; K223-G235 PolarHBondContact O-N 3.5Å; K223-V291 HydrophobicContact CB-CG1 4.28Å; K223-V291 HydrophobicContact CD-CB 4.16Å; K223-V291 HydrophobicContact CD-CG1 4.05Å; K223-V291 WeakPolarHBondContact CE-O 3.42Å; K223-V291 HydrophobicContact CG-CB 4.15Å; K223-V291 HydrophobicContact CG-CG1 4.29Å; K223-V291 PolarHBondContact NZ-O 3.34Å; K223-F293 PolarHBondContact NZ-O 3.09Å; K223-E294 IonicContact NZ-OE1 2.98Å; K223-E294 PolarHBondContact NZ-OE1 3.44Å; K223-E294 IonicContact NZ-OE2 3.94Å
224C88.7Confident83.7Confident39 Ų3944.9 Ų44.926%0.26426%0.264SS..EExtended strand (participates in β ladder)trans-128.1140.6175.6-64.40000110.2F138 G142 M233F138-C224 HydrophobicContact CB-CB 4.25Å; F138-C224 WeakPolarHBondContact O-CB 3.49Å; F138-C224 PolarHBondContact O-SG 3.36Å; F138-C224 VanDerWaalsContact O-SG 3.34Å; G142-C224 VanDerWaalsContact CA-SG 3.56Å; C224-M233 VanDerWaalsContact CA-O 3.28Å; C224-M233 WeakPolarHBondContact CA-O 3.34Å
225A84Confident83.6Confident16 Ų1642.9 Ų42.913%0.13225%0.25CS..EExtended strand (participates in β ladder)trans-141145.217400000109.2V232 M233 L298A225-V232 CarbonylContact O-C 3.47Å; A225-M233 PolarHBondContact N-O 3.02Å; A225-M233 PolarHBondContact O-N 3.03Å; A225-L298 HydrophobicContact CB-CD1 3.46Å; A225-L298 VanDerWaalsContact CB-CD1 3.46Å
226S81.3Confident83.6Confident44 Ų4441.3 Ų41.331%0.30824%0.24SC..EExtended strand (participates in β ladder)trans-120.1158175.264.50000110.1F138F138-S226 WeakPolarHBondContact CD2-OG 3.36Å; F138-S226 WeakPolarHBondContact CE2-OG 3.31Å; F138-S226 VanDerWaalsContact CZ-CB 3.42Å; F138-S226 VanDerWaalsContact CZ-OG 3.3Å; F138-S226 WeakPolarHBondContact CZ-OG 3.25Å
227S69.8Low83.7Confident13 Ų1340.2 Ų40.29%0.09124%0.235CC..  trans-117.4156.3-179.761.60000110.8H229 G230 L231 Y302S227-H229 PolarHBondContact O-N 2.98Å; S227-H229 VanDerWaalsContact O-N 3.12Å; S227-G230 PolarHBondContact O-N 2.77Å; S227-G230 VanDerWaalsContact O-N 3.17Å; S227-L231 PolarHBondContact N-O 2.82Å; S227-L231 WeakPolarHBondContact OG-CA 3.38Å; S227-L231 WeakPolarHBondContact OG-CB 3.49Å; S227-L231 PolarHBondContact OG-N 3.07Å; S227-L231 VanDerWaalsContact OG-N 3.11Å; S227-L231 PolarHBondContact OG-O 3.24Å; S227-Y302 VanDerWaalsContact CB-CE2 3.48Å; S227-Y302 WeakPolarHBondContact CB-OH 3.31Å; S227-Y302 PolarHBondContact OG-OH 3.25Å
228P62.1Low83.9Confident128 Ų12838.6 Ų38.683%0.83123%0.226SC*.THydrogen-bonded Turntrans-59.6-25.2178.7-24.334.7000113.8G230P228-G230 VanDerWaalsContact C-N 3.34Å
229H64.1Low84.2Confident159 Ų15936.1 Ų36.174%0.73621%0.214SC*.THydrogen-bonded Turntrans-91.211.3-177.1-51.7-62000113.9S227S227-H229 PolarHBondContact O-N 2.98Å; S227-H229 VanDerWaalsContact O-N 3.12Å
230G74.6Confident85Confident40 Ų4032.5 Ų32.541%0.41219%0.188SC..SBendtrans883.9171.400000116.1S227 P228S227-G230 PolarHBondContact O-N 2.77Å; S227-G230 VanDerWaalsContact O-N 3.17Å; P228-G230 VanDerWaalsContact C-N 3.34Å
231L81.1Confident85.6Confident10 Ų1028.9 Ų28.95%0.05217%0.172CC..EExtended strand (participates in β ladder)trans-79131.4167.3175.373.1000109.8S227 I257 F270 Y302S227-L231 PolarHBondContact N-O 2.82Å; S227-L231 WeakPolarHBondContact OG-CA 3.38Å; S227-L231 WeakPolarHBondContact OG-CB 3.49Å; S227-L231 PolarHBondContact OG-N 3.07Å; S227-L231 VanDerWaalsContact OG-N 3.11Å; S227-L231 PolarHBondContact OG-O 3.24Å; L231-I257 HydrophobicContact CD1-CD1 4.37Å; L231-I257 HydrophobicContact CD1-CG1 3.76Å; L231-F270 HydrophobicContact CD1-CE1 4.11Å; L231-F270 HydrophobicContact CD2-CE1 4.09Å; L231-Y302 HydrophobicContact CD2-CE2 4.15Å
232V87.4Confident86Confident2 Ų234.4 Ų34.41%0.01219%0.192CC..EExtended strand (participates in β ladder)trans-112.6125.7172.3176.40000109F138 L141 A225 V234 L256 W266F138-V232 HydrophobicContact CD1-CG1 4.01Å; F138-V232 HydrophobicContact CD1-CG2 3.7Å; F138-V232 HydrophobicContact CE1-CG2 3.52Å; L141-V232 HydrophobicContact CD2-CG1 4.02Å; A225-V232 CarbonylContact O-C 3.47Å; V232-V234 HydrophobicContact CG1-CG2 4.25Å; V232-L256 HydrophobicContact CB-CB 4.38Å; V232-L256 PolarHBondContact N-O 3.32Å; V232-L256 PolarHBondContact O-N 3.2Å; V232-W266 HydrophobicContact CB-CE3 4.49Å; V232-W266 HydrophobicContact CB-CH2 4.23Å; V232-W266 HydrophobicContact CB-CZ3 3.82Å; V232-W266 HydrophobicContact CG2-CE3 4.43Å; V232-W266 HydrophobicContact CG2-CH2 3.35Å; V232-W266 HydrophobicContact CG2-CZ2 4.36Å; V232-W266 HydrophobicContact CG2-CZ3 3.4Å
233M88.8Confident85.8Confident2 Ų236.9 Ų36.91%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-96.7130.2173.4-71.6-166.158.100110.6C224 A225 I253 F254 F270 F293 L298 F301C224-M233 VanDerWaalsContact CA-O 3.28Å; C224-M233 WeakPolarHBondContact CA-O 3.34Å; A225-M233 PolarHBondContact N-O 3.02Å; A225-M233 PolarHBondContact O-N 3.03Å; M233-I253 HydrophobicContact CE-CG2 3.35Å; M233-F254 VanDerWaalsContact CA-O 3.29Å; M233-F254 WeakPolarHBondContact CA-O 3.42Å; M233-F270 HydrophobicContact CE-CE2 4.4Å; M233-F270 HydrophobicContact CE-CZ 4.23Å; M233-F270 HydrophobicContact CG-CZ 4.28Å; M233-F270 HydrophobicContact SD-CZ 4.25Å; M233-F293 HydrophobicContact CE-CD1 4.45Å; M233-F293 HydrophobicContact CE-CD2 4.11Å; M233-F293 HydrophobicContact CE-CE1 3.79Å; M233-F293 HydrophobicContact CE-CE2 3.33Å; M233-F293 HydrophobicContact CE-CZ 3.18Å; M233-F293 HydrophobicContact SD-CE1 4.37Å; M233-F293 HydrophobicContact SD-CE2 4.13Å; M233-F293 HydrophobicContact SD-CZ 3.6Å; M233-L298 HydrophobicContact CB-CD1 3.98Å; M233-L298 HydrophobicContact CG-CD1 3.79Å; M233-L298 HydrophobicContact CG-CG 4.42Å; M233-L298 HydrophobicContact SD-CB 4.23Å; M233-L298 HydrophobicContact SD-CD1 3.43Å; M233-L298 WeakPolarHBondContact SD-CD1 3.31Å; M233-L298 HydrophobicContact SD-CG 3.66Å; M233-F301 HydrophobicContact CE-CD2 3.74Å; M233-F301 HydrophobicContact CE-CE2 4.13Å; M233-F301 HydrophobicContact CE-CG 4.4Å; M233-F301 HydrophobicContact SD-CB 4.49Å; M233-F301 HydrophobicContact SD-CD2 4.18Å
234V92.8Very high85.7Confident0 Ų042 Ų420%025%0.251CS..EExtended strand (participates in β ladder)trans-121.5111.1174.3-177.40000107.9L141 F145 L222 V232 I253 F254 L256L141-V234 HydrophobicContact CD2-CG2 4.31Å; F145-V234 HydrophobicContact CD1-CB 4.4Å; F145-V234 HydrophobicContact CD1-CG1 4.09Å; F145-V234 HydrophobicContact CD1-CG2 4.5Å; L222-V234 HydrophobicContact CD1-CG1 3.71Å; V232-V234 HydrophobicContact CG1-CG2 4.25Å; V234-I253 CarbonylContact O-C 3.52Å; V234-I253 WeakPolarHBondContact O-CA 3.32Å; V234-F254 HydrophobicContact CB-CB 4.41Å; V234-F254 PolarHBondContact N-O 3.31Å; V234-F254 WeakPolarHBondContact O-CD2 3.05Å; V234-F254 PolarHBondContact O-N 2.92Å; V234-L256 HydrophobicContact CG2-CD1 3.64Å; V234-L256 HydrophobicContact CG2-CG 4.33Å
235G92.5Very high85.7Confident1 Ų144.3 Ų44.31%0.0126%0.264CS..EExtended strand (participates in β ladder)trans-103.1128.8173.800000109.9L222 K223 Q252 V291L222-G235 CarbonylContact C-O 3.57Å; L222-G235 WeakPolarHBondContact CA-O 3.18Å; K223-G235 PolarHBondContact N-O 2.87Å; K223-G235 PolarHBondContact O-N 3.5Å; G235-Q252 CarbonylContact C-O 3.51Å; G235-Q252 WeakPolarHBondContact CA-O 2.95Å; G235-V291 WeakPolarHBondContact O-CG2 3.32Å
236V95.4Very high86.1Confident0 Ų045 Ų450%027%0.267CS..EExtended strand (participates in β ladder)trans-135.7133.8-179.561.20000110.8F150 P215 L217 G221 L222 F250 E251 Q252 F254F150-V236 HydrophobicContact CE2-CG1 3.66Å; F150-V236 HydrophobicContact CE2-CG2 4.24Å; F150-V236 HydrophobicContact CZ-CG1 3.67Å; P215-V236 HydrophobicContact CB-CG2 3.69Å; L217-V236 HydrophobicContact CD2-CG2 4.32Å; G221-V236 CarbonylContact O-C 3.52Å; G221-V236 VanDerWaalsContact O-CA 3.23Å; G221-V236 WeakPolarHBondContact O-CA 3.34Å; L222-V236 HydrophobicContact CD1-CB 4.24Å; V236-F250 HydrophobicContact CG1-CE2 4.45Å; V236-E251 CarbonylContact O-C 3.54Å; V236-E251 WeakPolarHBondContact O-CA 3.26Å; V236-Q252 HydrophobicContact CG1-CB 4.08Å; V236-Q252 PolarHBondContact N-O 3.29Å; V236-Q252 PolarHBondContact O-N 2.85Å; V236-F254 HydrophobicContact CG1-CD2 4.48Å; V236-F254 HydrophobicContact CG1-CE2 3.85Å
237A94.1Very high86.5Confident1 Ų145.4 Ų45.41%0.00827%0.265CS..EExtended strand (participates in β ladder)trans-110.1153.5172.500000109.6N216 G221 F250 P289 A290 V291N216-A237 VanDerWaalsContact CB-O 3.3Å; N216-A237 WeakPolarHBondContact CB-O 3.44Å; N216-A237 PolarHBondContact N-O 3.42Å; G221-A237 PolarHBondContact O-N 2.97Å; A237-F250 CarbonylContact C-O 3.56Å; A237-F250 VanDerWaalsContact CA-O 3.26Å; A237-F250 WeakPolarHBondContact CA-O 3.29Å; A237-P289 HydrophobicContact CB-CB 3.84Å; A237-A290 VanDerWaalsContact CB-C 3.47Å; A237-V291 HydrophobicContact CB-CG2 3.86Å
238G94.7Very high87.6Confident0 Ų044.8 Ų44.80%026%0.261CS..EExtended strand (participates in β ladder)trans-167.4-169.5-178.900000113.2S214 I249 F250 P289S214-G238 CarbonylContact O-C 3.55Å; S214-G238 WeakPolarHBondContact O-CA 3.37Å; G238-I249 CarbonylContact O-C 3.54Å; G238-I249 VanDerWaalsContact O-CA 3.28Å; G238-I249 WeakPolarHBondContact O-CA 3.45Å; G238-I249 WeakPolarHBondContact O-CB 3.47Å; G238-F250 VanDerWaalsContact C-CD1 3.45Å; G238-F250 VanDerWaalsContact CA-CE1 3.42Å; G238-F250 PolarHBondContact N-O 3.49Å; G238-F250 PolarHBondContact O-N 3.44Å; G238-P289 WeakPolarHBondContact O-CB 3.19Å; G238-P289 WeakPolarHBondContact O-CG 3.44Å
239T94.1Very high89Confident31 Ų3140 Ų4019%0.1923%0.228CC..EExtended strand (participates in β ladder)trans-110.5146.2177.2490000110.5S214 H241 G248 I249 F250 P289S214-T239 PolarHBondContact N-O 3.07Å; S214-T239 PolarHBondContact O-N 3.2Å; T239-H241 VanDerWaalsContact CB-NE2 3.28Å; T239-H241 WeakPolarHBondContact CB-NE2 3.48Å; T239-H241 PolarHBondContact OG1-CD2 3.35Å; T239-H241 PolarHBondContact OG1-NE2 2.96Å; T239-G248 WeakPolarHBondContact CA-O 3.21Å; T239-I249 HydrophobicContact CG2-CG2 4.47Å; T239-F250 WeakPolarHBondContact O-CE1 3.18Å; T239-P289 HydrophobicContact CG2-CG 3.71Å
240V94.6Very high90.4Very high3 Ų332.6 Ų32.62%0.01819%0.194CC..EExtended strand (participates in β ladder)trans-105.7127.6175.1-1740000107.8L211 F212 L213 L247 G248 F250 I275L211-V240 HydrophobicContact CB-CG1 4.15Å; L211-V240 HydrophobicContact CD1-CG1 4.13Å; L211-V240 HydrophobicContact CD2-CG1 3.95Å; L211-V240 HydrophobicContact CG-CG1 4.3Å; F212-V240 WeakPolarHBondContact O-CA 3.49Å; L213-V240 HydrophobicContact CD2-CB 4.43Å; L213-V240 HydrophobicContact CD2-CG1 4.19Å; L213-V240 HydrophobicContact CD2-CG2 3.78Å; V240-L247 PolarHBondContact O-N 3.07Å; V240-G248 PolarHBondContact N-O 3.13Å; V240-G248 PolarHBondContact O-N 2.97Å; V240-F250 HydrophobicContact CG2-CB 3.81Å; V240-F250 HydrophobicContact CG2-CD1 3.77Å; V240-F250 HydrophobicContact CG2-CG 4.23Å; V240-I275 HydrophobicContact CG2-CD1 4.47Å; V240-I275 HydrophobicContact CG2-CG1 4.4Å; V240-I275 HydrophobicContact CG2-CG2 4.09Å
241H92.8Very high91.3Very high43 Ų4332.1 Ų32.120%0.19918%0.181CC..EExtended strand (participates in β ladder)trans-123.2158.4-179.2-62.4-99.1000111.3L211 F212 T239 T245 C246L211-H241 CarbonylContact C-O 3.46Å; L211-H241 WeakPolarHBondContact CA-O 3.47Å; F212-H241 HydrophobicContact CB-CB 4.27Å; F212-H241 HydrophobicContact CD1-CB 4.37Å; F212-H241 PolarHBondContact N-O 3.35Å; F212-H241 PolarHBondContact O-N 3.06Å; T239-H241 VanDerWaalsContact CB-NE2 3.28Å; T239-H241 WeakPolarHBondContact CB-NE2 3.48Å; T239-H241 PolarHBondContact OG1-CD2 3.35Å; T239-H241 PolarHBondContact OG1-NE2 2.96Å; H241-T245 CarbonylContact C-O 2.98Å; H241-T245 VanDerWaalsContact CA-O 3.27Å; H241-T245 WeakPolarHBondContact CA-O 3.16Å; H241-C246 WeakPolarHBondContact ND1-CA 3.36Å
242R92.5Very high92Very high116 Ų11631.6 Ų31.644%0.43818%0.179SC..EExtended strand (participates in β ladder)trans-133.1112.9161.1-179.2-177.8-66.9135.8-1.8107.6E209 N244 T245 L247E209-R242 PolarHBondContact O-NE 3.48Å; E209-R242 PolarHBondContact O-NH2 3.11Å; R242-N244 PolarHBondContact O-N 3.22Å; R242-T245 PolarHBondContact N-O 3.4Å; R242-T245 PolarHBondContact O-N 2.81Å; R242-T245 VanDerWaalsContact O-N 3.16Å; R242-L247 HydrophobicContact CB-CD1 3.67Å; R242-L247 HydrophobicContact CB-CD2 4.5Å; R242-L247 HydrophobicContact CB-CG 4.17Å
243G87.4Confident92.2Very high60 Ų6032.3 Ų32.362%0.61918%0.182SC*.THydrogen-bonded Turntrans57.3-128.3-166.700000110.6T245G243-T245 VanDerWaalsContact C-N 3.32Å
244N86.8Confident92.5Very high174 Ų17432.2 Ų32.293%0.9318%0.181SC*.THydrogen-bonded Turntrans-90.46.1-179.8-64.1-6.5000113.5R242R242-N244 PolarHBondContact O-N 3.22Å
245T89.8Confident92.4Very high88 Ų8832.2 Ų32.254%0.5418%0.181SC..EExtended strand (participates in β ladder)trans-102.2120.8-177-54.70000110.2H241 R242 G243 L247H241-T245 CarbonylContact C-O 2.98Å; H241-T245 VanDerWaalsContact CA-O 3.27Å; H241-T245 WeakPolarHBondContact CA-O 3.16Å; R242-T245 PolarHBondContact N-O 3.4Å; R242-T245 PolarHBondContact O-N 2.81Å; R242-T245 VanDerWaalsContact O-N 3.16Å; G243-T245 VanDerWaalsContact C-N 3.32Å; T245-L247 HydrophobicContact CG2-CD2 4.2Å; T245-L247 PolarHBondContact O-N 3.22Å
246C91.2Very high92.3Very high29 Ų2932.1 Ų32.120%0.19618%0.181CC..EExtended strand (participates in β ladder)trans-73.1118.9169.7-1770000109.3H241 L286H241-C246 WeakPolarHBondContact ND1-CA 3.36Å; C246-L286 HydrophobicContact CB-CD1 4.45Å
247L90.9Very high91.8Very high53 Ų5334.8 Ų34.828%0.27719%0.194SC..EExtended strand (participates in β ladder)trans-91.2-19.3179.5-60-177.2000112.6L211 V240 R242 T245 G277 E278L211-L247 HydrophobicContact CD2-CD1 3.7Å; V240-L247 PolarHBondContact O-N 3.07Å; R242-L247 HydrophobicContact CB-CD1 3.67Å; R242-L247 HydrophobicContact CB-CD2 4.5Å; R242-L247 HydrophobicContact CB-CG 4.17Å; T245-L247 HydrophobicContact CG2-CD2 4.2Å; T245-L247 PolarHBondContact O-N 3.22Å; L247-G277 CarbonylContact O-C 3.51Å; L247-G277 WeakPolarHBondContact O-CA 3.41Å; L247-E278 PolarHBondContact O-N 3.28Å
248G91.3Very high91.1Very high1 Ų139.9 Ų39.91%0.0121%0.214CC..EExtended strand (participates in β ladder)trans155.6-153.2179.700000113.3T239 V240 R276T239-G248 WeakPolarHBondContact CA-O 3.21Å; V240-G248 PolarHBondContact N-O 3.13Å; V240-G248 PolarHBondContact O-N 2.97Å; G248-R276 WeakPolarHBondContact CA-O 3.37Å
249I92.4Very high89.9Confident26 Ų2640.5 Ų40.513%0.13322%0.217CC..EExtended strand (participates in β ladder)trans-121.6153.4-176.964.4175.4000111.3G238 T239 R276 L281 L286 P289G238-I249 CarbonylContact O-C 3.54Å; G238-I249 VanDerWaalsContact O-CA 3.28Å; G238-I249 WeakPolarHBondContact O-CA 3.45Å; G238-I249 WeakPolarHBondContact O-CB 3.47Å; T239-I249 HydrophobicContact CG2-CG2 4.47Å; I249-R276 HydrophobicContact CG1-CB 4.14Å; I249-R276 PolarHBondContact N-O 3.06Å; I249-R276 PolarHBondContact O-N 3.19Å; I249-L281 HydrophobicContact CD1-CD2 3.92Å; I249-L281 HydrophobicContact CG1-CD1 4.43Å; I249-L281 HydrophobicContact CG1-CD2 4.27Å; I249-L281 HydrophobicContact CG2-CD1 4.4Å; I249-L286 HydrophobicContact CG2-CD2 3.92Å; I249-P289 HydrophobicContact CG2-CG 4.02Å
250F93.9Very high87.9Confident5 Ų543.5 Ų43.52%0.02224%0.238CC..EExtended strand (participates in β ladder)trans-127157.1169.977-88.8000111.9F150 L213 P215 V236 A237 G238 T239 V240 Q252 L273 K274 I275F150-F250 HydrophobicContact CD1-CZ 4.49Å; F150-F250 AromaticContact CE1-CE2 3.82Å; F150-F250 HydrophobicContact CE1-CE2 3.82Å; F150-F250 AromaticContact CE1-CZ 3.77Å; F150-F250 HydrophobicContact CE1-CZ 3.77Å; F150-F250 AromaticContact CZ-CE2 3.71Å; F150-F250 HydrophobicContact CZ-CE2 3.71Å; F150-F250 AromaticContact CZ-CZ 3.89Å; F150-F250 HydrophobicContact CZ-CZ 3.89Å; L213-F250 HydrophobicContact CB-CE1 3.96Å; L213-F250 HydrophobicContact CB-CZ 4.19Å; L213-F250 HydrophobicContact CD2-CD1 3.9Å; L213-F250 HydrophobicContact CD2-CE1 4.13Å; L213-F250 HydrophobicContact CD2-CG 4.31Å; P215-F250 HydrophobicContact CB-CZ 4.39Å; V236-F250 HydrophobicContact CG1-CE2 4.45Å; A237-F250 CarbonylContact C-O 3.56Å; A237-F250 VanDerWaalsContact CA-O 3.26Å; A237-F250 WeakPolarHBondContact CA-O 3.29Å; G238-F250 VanDerWaalsContact C-CD1 3.45Å; G238-F250 VanDerWaalsContact CA-CE1 3.42Å; G238-F250 PolarHBondContact N-O 3.49Å; G238-F250 PolarHBondContact O-N 3.44Å; T239-F250 WeakPolarHBondContact O-CE1 3.18Å; V240-F250 HydrophobicContact CG2-CB 3.81Å; V240-F250 HydrophobicContact CG2-CD1 3.77Å; V240-F250 HydrophobicContact CG2-CG 4.23Å; F250-Q252 HydrophobicContact CD2-CB 4.07Å; F250-Q252 HydrophobicContact CE2-CB 4.16Å; F250-L273 HydrophobicContact CB-CD1 4.39Å; F250-L273 HydrophobicContact CD2-CD1 4.24Å; F250-K274 CarbonylContact C-O 3.59Å; F250-K274 WeakPolarHBondContact CA-O 3.34Å; F250-K274 WeakPolarHBondContact CB-O 3.41Å; F250-I275 HydrophobicContact CB-CG1 3.92Å
251E93.1Very high85.6Confident29 Ų2951.6 Ų51.614%0.13627%0.273CS..EExtended strand (participates in β ladder)trans-131.8127.6167.3178175.4-138.900107.3V236 K274 K292V236-E251 CarbonylContact O-C 3.54Å; V236-E251 WeakPolarHBondContact O-CA 3.26Å; E251-K274 HydrophobicContact CB-CB 4.48Å; E251-K274 PolarHBondContact N-O 3.38Å; E251-K274 PolarHBondContact O-N 3.29Å; E251-K292 PolarHBondContact OE1-N 3.38Å
252Q95.3Very high83.9Confident0 Ų053.4 Ų53.40%029%0.287CS..EExtended strand (participates in β ladder)trans-131.2128-178.2-162.8167.51400110.3G235 V236 F250 F254 I271 N272 L273G235-Q252 CarbonylContact C-O 3.51Å; G235-Q252 WeakPolarHBondContact CA-O 2.95Å; V236-Q252 HydrophobicContact CG1-CB 4.08Å; V236-Q252 PolarHBondContact N-O 3.29Å; V236-Q252 PolarHBondContact O-N 2.85Å; F250-Q252 HydrophobicContact CD2-CB 4.07Å; F250-Q252 HydrophobicContact CE2-CB 4.16Å; Q252-F254 HydrophobicContact CB-CE2 4.01Å; Q252-F254 HydrophobicContact CB-CZ 4.32Å; Q252-F254 HydrophobicContact CG-CD2 4.3Å; Q252-F254 HydrophobicContact CG-CE1 4.12Å; Q252-F254 HydrophobicContact CG-CE2 3.58Å; Q252-F254 HydrophobicContact CG-CZ 3.49Å; Q252-F254 VanDerWaalsContact CG-CZ 3.49Å; Q252-I271 HydrophobicContact CG-CG2 3.87Å; Q252-I271 VanDerWaalsContact NE2-CG2 3.33Å; Q252-N272 CarbonylContact C-O 3.58Å; Q252-N272 VanDerWaalsContact CA-O 3.26Å; Q252-N272 WeakPolarHBondContact CA-O 3.38Å; Q252-L273 HydrophobicContact CB-CD1 3.93Å; Q252-L273 HydrophobicContact CG-CB 4.23Å; Q252-L273 HydrophobicContact CG-CD1 3.93Å
253I92.7Very high81.8Confident16 Ų1655.5 Ų55.58%0.08230%0.301CS..EExtended strand (participates in β ladder)trans-117.1125.2179.5-56.1171.2000108M233 V234 F270 I271 N272 F293M233-I253 HydrophobicContact CE-CG2 3.35Å; V234-I253 CarbonylContact O-C 3.52Å; V234-I253 WeakPolarHBondContact O-CA 3.32Å; I253-F270 HydrophobicContact CG2-CE2 4.36Å; I253-I271 CarbonylContact O-C 3.58Å; I253-I271 VanDerWaalsContact O-CA 3.26Å; I253-I271 WeakPolarHBondContact O-CA 3.47Å; I253-N272 HydrophobicContact CB-CB 4.32Å; I253-N272 PolarHBondContact N-O 3.04Å; I253-N272 PolarHBondContact O-N 3.39Å; I253-F293 HydrophobicContact CD1-CB 3.8Å; I253-F293 HydrophobicContact CD1-CD2 4.07Å; I253-F293 HydrophobicContact CD1-CG 4.11Å
254F94.4Very high80.4Confident0 Ų057.6 Ų57.60%030%0.299CS..EExtended strand (participates in β ladder)trans-110.4138.2177.8-58-90.8000110.3F145 F149 F150 M233 V234 V236 Q252 L256 I268 F270 I271F145-F254 HydrophobicContact CE1-CB 4.16Å; F145-F254 HydrophobicContact CE1-CD1 4.01Å; F145-F254 AromaticContact CE1-CD2 3.62Å; F145-F254 HydrophobicContact CE1-CD2 3.62Å; F145-F254 HydrophobicContact CE1-CE1 4.26Å; F145-F254 AromaticContact CE1-CE2 3.89Å; F145-F254 HydrophobicContact CE1-CE2 3.89Å; F145-F254 AromaticContact CE1-CG 3.67Å; F145-F254 HydrophobicContact CE1-CG 3.67Å; F145-F254 HydrophobicContact CE1-CZ 4.18Å; F145-F254 HydrophobicContact CZ-CB 4.24Å; F145-F254 AromaticContact CZ-CD1 3.78Å; F145-F254 HydrophobicContact CZ-CD1 3.78Å; F145-F254 HydrophobicContact CZ-CD2 4.25Å; F145-F254 HydrophobicContact CZ-CE1 4.11Å; F145-F254 AromaticContact CZ-CG 3.84Å; F145-F254 HydrophobicContact CZ-CG 3.84Å; F145-F254 HydrophobicContact CZ-CZ 4.45Å; F149-F254 HydrophobicContact CD1-CE1 4.24Å; F149-F254 AromaticContact CD1-CZ 3.76Å; F149-F254 HydrophobicContact CD1-CZ 3.76Å; F149-F254 HydrophobicContact CD2-CE1 4.18Å; F149-F254 HydrophobicContact CD2-CZ 4.48Å; F149-F254 AromaticContact CE1-CE1 3.86Å; F149-F254 HydrophobicContact CE1-CE1 3.86Å; F149-F254 AromaticContact CE1-CZ 3.55Å; F149-F254 HydrophobicContact CE1-CZ 3.55Å; F149-F254 AromaticContact CE2-CE1 3.76Å; F149-F254 HydrophobicContact CE2-CE1 3.76Å; F149-F254 HydrophobicContact CE2-CZ 4.27Å; F149-F254 HydrophobicContact CG-CE1 4.39Å; F149-F254 HydrophobicContact CG-CZ 4.24Å; F149-F254 AromaticContact CZ-CE1 3.6Å; F149-F254 HydrophobicContact CZ-CE1 3.6Å; F149-F254 AromaticContact CZ-CZ 3.82Å; F149-F254 HydrophobicContact CZ-CZ 3.82Å; F150-F254 HydrophobicContact CZ-CE2 4.31Å; F150-F254 HydrophobicContact CZ-CZ 4.31Å; M233-F254 VanDerWaalsContact CA-O 3.29Å; M233-F254 WeakPolarHBondContact CA-O 3.42Å; V234-F254 HydrophobicContact CB-CB 4.41Å; V234-F254 PolarHBondContact N-O 3.31Å; V234-F254 WeakPolarHBondContact O-CD2 3.05Å; V234-F254 PolarHBondContact O-N 2.92Å; V236-F254 HydrophobicContact CG1-CD2 4.48Å; V236-F254 HydrophobicContact CG1-CE2 3.85Å; Q252-F254 HydrophobicContact CB-CE2 4.01Å; Q252-F254 HydrophobicContact CB-CZ 4.32Å; Q252-F254 HydrophobicContact CG-CD2 4.3Å; Q252-F254 HydrophobicContact CG-CE1 4.12Å; Q252-F254 HydrophobicContact CG-CE2 3.58Å; Q252-F254 HydrophobicContact CG-CZ 3.49Å; Q252-F254 VanDerWaalsContact CG-CZ 3.49Å; F254-L256 HydrophobicContact CB-CD2 4.09Å; F254-L256 HydrophobicContact CB-CG 4.45Å; F254-I268 HydrophobicContact CD1-CD1 4.46Å; F254-I268 HydrophobicContact CD1-CG2 4.22Å; F254-F270 WeakPolarHBondContact CA-O 3.37Å; F254-I271 HydrophobicContact CD1-CD1 4.47Å; F254-I271 HydrophobicContact CD1-CG1 4.03Å; F254-I271 HydrophobicContact CD1-CG2 4.27Å; F254-I271 HydrophobicContact CE1-CD1 4.37Å; F254-I271 HydrophobicContact CE1-CG1 4.33Å; F254-I271 HydrophobicContact CE1-CG2 4.13Å
255G90.4Very high79.9Confident0 Ų051.8 Ų51.80%027%0.269CS..EExtended strand (participates in β ladder)trans-100.2120.6160.500000109.8K269 F270G255-K269 PolarHBondContact O-N 3.38Å; G255-F270 VanDerWaalsContact CA-CE1 3.48Å; G255-F270 PolarHBondContact N-O 3.38Å
256L91.1Very high79.7Confident0 Ų050.7 Ų50.70%026%0.255CS..EExtended strand (participates in β ladder)trans-111.5131.8-179.5-52.5-178.2000109.7L141 F145 V232 V234 F254 W266 K267 I268L141-L256 HydrophobicContact CD2-CD1 4.09Å; F145-L256 HydrophobicContact CB-CD1 4.44Å; F145-L256 HydrophobicContact CD1-CD1 4.24Å; F145-L256 HydrophobicContact CD2-CD1 3.67Å; F145-L256 HydrophobicContact CD2-CD2 4.11Å; F145-L256 HydrophobicContact CE1-CD1 4.49Å; F145-L256 HydrophobicContact CE1-CD2 4.45Å; F145-L256 HydrophobicContact CE2-CD1 3.93Å; F145-L256 HydrophobicContact CE2-CD2 3.48Å; F145-L256 VanDerWaalsContact CE2-CD2 3.48Å; F145-L256 HydrophobicContact CE2-CG 4.36Å; F145-L256 HydrophobicContact CG-CD1 3.84Å; F145-L256 HydrophobicContact CZ-CD1 4.35Å; F145-L256 HydrophobicContact CZ-CD2 3.7Å; V232-L256 HydrophobicContact CB-CB 4.38Å; V232-L256 PolarHBondContact N-O 3.32Å; V232-L256 PolarHBondContact O-N 3.2Å; V234-L256 HydrophobicContact CG2-CD1 3.64Å; V234-L256 HydrophobicContact CG2-CG 4.33Å; F254-L256 HydrophobicContact CB-CD2 4.09Å; F254-L256 HydrophobicContact CB-CG 4.45Å; L256-W266 HydrophobicContact CB-CE3 3.76Å; L256-W266 HydrophobicContact CB-CZ3 4.45Å; L256-K267 WeakPolarHBondContact CA-O 3.32Å; L256-I268 HydrophobicContact CD2-CB 4.41Å; L256-I268 HydrophobicContact CD2-CG1 3.76Å
257I84.8Confident79.6Confident55 Ų5552 Ų5228%0.28226%0.258SS..EExtended strand (participates in β ladder)trans-121.1130.3172.4-60.4175.7000107.5W173 L231 C259 K267 K269W173-I257 HydrophobicContact CZ2-CB 4.45Å; W173-I257 HydrophobicContact CZ2-CG2 4.21Å; L231-I257 HydrophobicContact CD1-CD1 4.37Å; L231-I257 HydrophobicContact CD1-CG1 3.76Å; I257-C259 PolarHBondContact O-N 2.77Å; I257-K267 PolarHBondContact N-O 3.09Å; I257-K267 PolarHBondContact O-N 3.07Å; I257-K269 HydrophobicContact CD1-CB 3.87Å; I257-K269 HydrophobicContact CD1-CD 4.04Å; I257-K269 HydrophobicContact CD1-CG 3.72Å; I257-K269 HydrophobicContact CG1-CB 4.12Å; I257-K269 HydrophobicContact CG1-CG 4.49Å
258R79.5Confident79.7Confident109 Ų10949.5 Ų49.541%0.41125%0.245SC..EExtended strand (participates in β ladder)trans-62.1127.2175.1-174.1174.4174.7154.71.4109P260 N264 T265 W266R258-P260 WeakPolarHBondContact O-CD 3.46Å; R258-N264 PolarHBondContact NH2-OD1 2.95Å; R258-T265 CarbonylContact C-O 3.58Å; R258-T265 WeakPolarHBondContact CA-O 3.21Å; R258-W266 HydrophobicContact CB-CD2 4.16Å; R258-W266 HydrophobicContact CB-CE3 4.06Å; R258-W266 HydrophobicContact CB-CH2 4.02Å; R258-W266 HydrophobicContact CB-CZ2 4.12Å; R258-W266 HydrophobicContact CB-CZ3 3.98Å; R258-W266 VanDerWaalsContact N-CE3 3.3Å
259C69.3Low79.6Confident12 Ų1251.4 Ų51.48%0.08125%0.253CS..  trans-62.9118170.1-172.90000107.7I257 F261 V262 T265I257-C259 PolarHBondContact O-N 2.77Å; C259-F261 PolarHBondContact O-N 2.76Å; C259-V262 VanDerWaalsContact O-O 3.13Å; C259-T265 HydrophobicContact CB-CG2 4.19Å; C259-T265 WeakPolarHBondContact CB-O 3.39Å; C259-T265 PolarHBondContact N-O 2.9Å
260P51.4Low79.4Confident95 Ų9551 Ų5162%0.61725%0.25SC*.THydrogen-bonded Turntrans-73.2-9.2-179.130.1-33.9000112.3R258R258-P260 WeakPolarHBondContact O-CD 3.46Å
261F47.4Very low79.4Confident173 Ų17350.7 Ų50.776%0.75925%0.249SC*.THydrogen-bonded Turntrans-105.5-13.9-171.5-48.5-65.7000113.9C259C259-F261 PolarHBondContact O-N 2.76Å
262V56.8Low79.3Confident81 Ų8150.4 Ų50.449%0.49125%0.248SC..SBendtrans-133.1122.9177.6-172.40000107.9C259 N264 T265C259-V262 VanDerWaalsContact O-O 3.13Å; V262-N264 PolarHBondContact O-N 3.2Å; V262-T265 WeakPolarHBondContact CG1-OG1 3.4Å; V262-T265 PolarHBondContact O-N 3.38Å
263E48.1Very low79.2Confident159 Ų15950.4 Ų50.474%0.74325%0.248SC*.THydrogen-bonded Turntrans-57.5136.5-176.1-165.7169.7-162.400111.1T265E263-T265 PolarHBondContact O-N 3.06Å; E263-T265 PolarHBondContact O-OG1 2.77Å
264N57.6Low79.2Confident105 Ų10552.1 Ų52.156%0.56126%0.255SS*.THydrogen-bonded Turntrans5218.6179.2-65-26.9000116.8R258 V262R258-N264 PolarHBondContact NH2-OD1 2.95Å; V262-N264 PolarHBondContact O-N 3.2Å
265T76.6Confident79Confident51 Ų5153.2 Ų53.231%0.31326%0.26SS..  trans-91.6127.2176.6-59.10000110.2R258 C259 V262 E263R258-T265 CarbonylContact C-O 3.58Å; R258-T265 WeakPolarHBondContact CA-O 3.21Å; C259-T265 HydrophobicContact CB-CG2 4.19Å; C259-T265 WeakPolarHBondContact CB-O 3.39Å; C259-T265 PolarHBondContact N-O 2.9Å; V262-T265 WeakPolarHBondContact CG1-OG1 3.4Å; V262-T265 PolarHBondContact O-N 3.38Å; E263-T265 PolarHBondContact O-N 3.06Å; E263-T265 PolarHBondContact O-OG1 2.77Å
266W84.9Confident78.9Confident65 Ų6556.3 Ų56.325%0.24627%0.272CS..EExtended strand (participates in β ladder)trans-109.6134.8176.1-67.884.5000109.9L141 V232 L256 R258L141-W266 HydrophobicContact CD1-CD2 4.29Å; L141-W266 HydrophobicContact CD1-CH2 4.37Å; L141-W266 HydrophobicContact CD1-CZ2 3.63Å; V232-W266 HydrophobicContact CB-CE3 4.49Å; V232-W266 HydrophobicContact CB-CH2 4.23Å; V232-W266 HydrophobicContact CB-CZ3 3.82Å; V232-W266 HydrophobicContact CG2-CE3 4.43Å; V232-W266 HydrophobicContact CG2-CH2 3.35Å; V232-W266 HydrophobicContact CG2-CZ2 4.36Å; V232-W266 HydrophobicContact CG2-CZ3 3.4Å; L256-W266 HydrophobicContact CB-CE3 3.76Å; L256-W266 HydrophobicContact CB-CZ3 4.45Å; R258-W266 HydrophobicContact CB-CD2 4.16Å; R258-W266 HydrophobicContact CB-CE3 4.06Å; R258-W266 HydrophobicContact CB-CH2 4.02Å; R258-W266 HydrophobicContact CB-CZ2 4.12Å; R258-W266 HydrophobicContact CB-CZ3 3.98Å; R258-W266 VanDerWaalsContact N-CE3 3.3Å
267K89Confident78.7Confident57 Ų5757.2 Ų57.225%0.24828%0.281CS..EExtended strand (participates in β ladder)trans-118145.7176.7-75-167.2175-155.10111.4Q170 W173 L256 I257 K269Q170-K267 VanDerWaalsContact O-CE 3.31Å; Q170-K267 WeakPolarHBondContact O-CE 3.42Å; Q170-K267 PolarHBondContact O-NZ 3.27Å; Q170-K267 VanDerWaalsContact O-NZ 3.12Å; W173-K267 HydrophobicContact CD2-CB 4.28Å; W173-K267 HydrophobicContact CD2-CD 4.49Å; W173-K267 HydrophobicContact CG-CB 4.21Å; W173-K267 HydrophobicContact CZ2-CB 4.37Å; W173-K267 PolarHBondContact NE1-O 3.38Å; L256-K267 WeakPolarHBondContact CA-O 3.32Å; I257-K267 PolarHBondContact N-O 3.09Å; I257-K267 PolarHBondContact O-N 3.07Å; K267-K269 PolarHBondContact O-N 3.41Å
268I93.6Very high78.3Confident1 Ų159.8 Ų59.81%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-80.2118.8-176.6-58.5163.4000109.8F145 F149 H171 F172 W173 V176 F254 L256 I271F145-I268 HydrophobicContact CE2-CD1 4.22Å; F145-I268 HydrophobicContact CE2-CG1 4.04Å; F145-I268 HydrophobicContact CZ-CD1 4.1Å; F145-I268 HydrophobicContact CZ-CG1 4.1Å; F149-I268 HydrophobicContact CD2-CD1 3.86Å; F149-I268 HydrophobicContact CE2-CD1 3.73Å; H171-I268 PolarHBondContact O-N 3.15Å; F172-I268 HydrophobicContact CD1-CB 3.71Å; F172-I268 HydrophobicContact CD1-CD1 3.89Å; F172-I268 HydrophobicContact CD1-CG1 4.39Å; F172-I268 HydrophobicContact CD1-CG2 3.93Å; F172-I268 HydrophobicContact CE1-CB 4.25Å; F172-I268 HydrophobicContact CE1-CD1 3.59Å; F172-I268 HydrophobicContact CE1-CG2 4.31Å; F172-I268 HydrophobicContact CZ-CD1 4.34Å; W173-I268 PolarHBondContact N-O 2.97Å; V176-I268 HydrophobicContact CG2-CG2 4.27Å; F254-I268 HydrophobicContact CD1-CD1 4.46Å; F254-I268 HydrophobicContact CD1-CG2 4.22Å; L256-I268 HydrophobicContact CD2-CB 4.41Å; L256-I268 HydrophobicContact CD2-CG1 3.76Å; I268-I271 HydrophobicContact CG2-CD1 3.79Å; I268-I271 HydrophobicContact CG2-CG1 3.45Å; I268-I271 VanDerWaalsContact CG2-CG1 3.45Å
269K89.3Confident77.8Confident40 Ų4059.6 Ų59.617%0.17431%0.307CS..EExtended strand (participates in β ladder)trans-94.2-35.3-179.7-178.163.1179.8-168.30112.9W173 D175 V176 K177 G255 I257 K267W173-K269 HydrophobicContact CB-CD 4.15Å; W173-K269 HydrophobicContact CG-CD 4.15Å; D175-K269 IonicContact OD1-NZ 3.92Å; D175-K269 PolarHBondContact OD1-NZ 3.47Å; D175-K269 IonicContact OD2-NZ 2.92Å; D175-K269 PolarHBondContact OD2-NZ 3.28Å; V176-K269 WeakPolarHBondContact CA-O 3.37Å; K177-K269 PolarHBondContact N-O 2.9Å; G255-K269 PolarHBondContact O-N 3.38Å; I257-K269 HydrophobicContact CD1-CB 3.87Å; I257-K269 HydrophobicContact CD1-CD 4.04Å; I257-K269 HydrophobicContact CD1-CG 3.72Å; I257-K269 HydrophobicContact CG1-CB 4.12Å; I257-K269 HydrophobicContact CG1-CG 4.49Å; K267-K269 PolarHBondContact O-N 3.41Å
270F88.2Confident77.4Confident17 Ų1761.7 Ų61.78%0.07532%0.322CS..EExtended strand (participates in β ladder)trans-153.8159.7173.365.7-97.8000110.9K177 L231 M233 I253 F254 G255 F301 I305K177-F270 CarbonylContact O-C 3.57Å; K177-F270 VanDerWaalsContact O-CA 3.27Å; K177-F270 WeakPolarHBondContact O-CA 3.5Å; L231-F270 HydrophobicContact CD1-CE1 4.11Å; L231-F270 HydrophobicContact CD2-CE1 4.09Å; M233-F270 HydrophobicContact CE-CE2 4.4Å; M233-F270 HydrophobicContact CE-CZ 4.23Å; M233-F270 HydrophobicContact CG-CZ 4.28Å; M233-F270 HydrophobicContact SD-CZ 4.25Å; I253-F270 HydrophobicContact CG2-CE2 4.36Å; F254-F270 WeakPolarHBondContact CA-O 3.37Å; G255-F270 VanDerWaalsContact CA-CE1 3.48Å; G255-F270 PolarHBondContact N-O 3.38Å; F270-F301 HydrophobicContact CE2-CD1 4.44Å; F270-F301 HydrophobicContact CZ-CB 4.44Å; F270-I305 HydrophobicContact CD1-CD1 3.85Å; F270-I305 HydrophobicContact CE1-CD1 3.8Å
271I94.4Very high78Confident0 Ų058.6 Ų58.60%030%0.3CS..EExtended strand (participates in β ladder)trans-139.6128.2179.5-49.4174.3000108.1F172 K177 L178 R179 V198 L202 Q252 I253 F254 I268 L273F172-I271 HydrophobicContact CD1-CD1 4.22Å; F172-I271 HydrophobicContact CE1-CD1 3.72Å; K177-I271 PolarHBondContact O-N 3.07Å; L178-I271 CarbonylContact C-O 3.59Å; L178-I271 VanDerWaalsContact CA-O 3.29Å; L178-I271 WeakPolarHBondContact CA-O 3.36Å; L178-I271 HydrophobicContact CB-CB 4.45Å; L178-I271 HydrophobicContact CD1-CB 3.74Å; L178-I271 HydrophobicContact CD1-CG2 3.64Å; R179-I271 PolarHBondContact N-O 3.45Å; V198-I271 HydrophobicContact CG1-CD1 3.91Å; L202-I271 HydrophobicContact CD1-CD1 3.69Å; Q252-I271 HydrophobicContact CG-CG2 3.87Å; Q252-I271 VanDerWaalsContact NE2-CG2 3.33Å; I253-I271 CarbonylContact O-C 3.58Å; I253-I271 VanDerWaalsContact O-CA 3.26Å; I253-I271 WeakPolarHBondContact O-CA 3.47Å; F254-I271 HydrophobicContact CD1-CD1 4.47Å; F254-I271 HydrophobicContact CD1-CG1 4.03Å; F254-I271 HydrophobicContact CD1-CG2 4.27Å; F254-I271 HydrophobicContact CE1-CD1 4.37Å; F254-I271 HydrophobicContact CE1-CG1 4.33Å; F254-I271 HydrophobicContact CE1-CG2 4.13Å; I268-I271 HydrophobicContact CG2-CD1 3.79Å; I268-I271 HydrophobicContact CG2-CG1 3.45Å; I268-I271 VanDerWaalsContact CG2-CG1 3.45Å; I271-L273 HydrophobicContact CG2-CB 4.49Å
272N90.6Very high78.6Confident22 Ų2254.3 Ų54.312%0.11830%0.297CS..EExtended strand (participates in β ladder)trans-111.1112.6161.5-63-45.1000107.3R179 Q252 I253 F301R179-N272 WeakPolarHBondContact CB-OD1 3.37Å; R179-N272 CarbonylContact O-C 3.54Å; R179-N272 WeakPolarHBondContact O-CA 3.35Å; Q252-N272 CarbonylContact C-O 3.58Å; Q252-N272 VanDerWaalsContact CA-O 3.26Å; Q252-N272 WeakPolarHBondContact CA-O 3.38Å; I253-N272 HydrophobicContact CB-CB 4.32Å; I253-N272 PolarHBondContact N-O 3.04Å; I253-N272 PolarHBondContact O-N 3.39Å; N272-F301 WeakPolarHBondContact ND2-CE1 3.32Å; N272-F301 WeakPolarHBondContact ND2-CZ 3.37Å
273L94Very high78.5Confident0 Ų056.9 Ų56.90%032%0.315CS..EExtended strand (participates in β ladder)trans-108.8131.1176.9174.360.7000108.8L178 R179 F180 Y181 L202 L205 F250 Q252 I271 I275L178-L273 HydrophobicContact CD1-CB 4.02Å; R179-L273 PolarHBondContact O-N 3.38Å; F180-L273 CarbonylContact C-O 3.57Å; F180-L273 WeakPolarHBondContact CA-O 3.37Å; F180-L273 HydrophobicContact CD2-CB 4Å; F180-L273 HydrophobicContact CD2-CD2 3.76Å; F180-L273 HydrophobicContact CD2-CG 3.74Å; F180-L273 HydrophobicContact CE2-CD2 3.74Å; F180-L273 HydrophobicContact CE2-CG 3.87Å; Y181-L273 PolarHBondContact N-O 2.86Å; L202-L273 HydrophobicContact CD2-CD2 4.29Å; L205-L273 HydrophobicContact CD1-CD2 3.69Å; F250-L273 HydrophobicContact CB-CD1 4.39Å; F250-L273 HydrophobicContact CD2-CD1 4.24Å; Q252-L273 HydrophobicContact CB-CD1 3.93Å; Q252-L273 HydrophobicContact CG-CB 4.23Å; Q252-L273 HydrophobicContact CG-CD1 3.93Å; I271-L273 HydrophobicContact CG2-CB 4.49Å; L273-I275 HydrophobicContact CD1-CG1 4.13Å; L273-I275 HydrophobicContact CD2-CD1 4.27Å; L273-I275 HydrophobicContact CG-CD1 4.47Å; L273-I275 HydrophobicContact CG-CG1 4.26Å
274K91.1Very high78.9Confident52 Ų5253 Ų5323%0.22632%0.318CS..EExtended strand (participates in β ladder)trans-128.9119.6177-178.6172.6-178.5178.50109.9Y181 F250 E251 R276Y181-K274 HydrophobicContact CD2-CB 4.48Å; Y181-K274 CarbonylContact O-C 3.58Å; Y181-K274 VanDerWaalsContact O-CA 3.3Å; Y181-K274 WeakPolarHBondContact O-CA 3.28Å; F250-K274 CarbonylContact C-O 3.59Å; F250-K274 WeakPolarHBondContact CA-O 3.34Å; F250-K274 WeakPolarHBondContact CB-O 3.41Å; E251-K274 HydrophobicContact CB-CB 4.48Å; E251-K274 PolarHBondContact N-O 3.38Å; E251-K274 PolarHBondContact O-N 3.29Å; K274-R276 VanDerWaalsContact CE-NE 3.31Å; K274-R276 VanDerWaalsContact NZ-NH2 3.18Å
275I91.3Very high78.8Confident23 Ų2353.5 Ų53.512%0.11833%0.325CS..EExtended strand (participates in β ladder)trans-114.6131.1177-64.1179.3000109.3F180 Y181 Y182 N183 V240 F250 L273F180-I275 HydrophobicContact CE2-CB 4.31Å; F180-I275 HydrophobicContact CE2-CD1 3.77Å; F180-I275 HydrophobicContact CE2-CG1 3.95Å; F180-I275 HydrophobicContact CZ-CD1 4.01Å; Y181-I275 PolarHBondContact O-N 3.39Å; Y182-I275 WeakPolarHBondContact CA-O 3.31Å; N183-I275 PolarHBondContact N-O 3.24Å; N183-I275 VanDerWaalsContact N-O 3.13Å; V240-I275 HydrophobicContact CG2-CD1 4.47Å; V240-I275 HydrophobicContact CG2-CG1 4.4Å; V240-I275 HydrophobicContact CG2-CG2 4.09Å; F250-I275 HydrophobicContact CB-CG1 3.92Å; L273-I275 HydrophobicContact CD1-CG1 4.13Å; L273-I275 HydrophobicContact CD2-CD1 4.27Å; L273-I275 HydrophobicContact CG-CD1 4.47Å; L273-I275 HydrophobicContact CG-CG1 4.26Å
276R88.8Confident78Confident66 Ų6654.3 Ų54.325%0.24933%0.327CS..EExtended strand (participates in β ladder)trans-123.7119.1176.3-71.3-177.9169-176.3-4.4109.6G248 I249 K274G248-R276 WeakPolarHBondContact CA-O 3.37Å; I249-R276 HydrophobicContact CG1-CB 4.14Å; I249-R276 PolarHBondContact N-O 3.06Å; I249-R276 PolarHBondContact O-N 3.19Å; K274-R276 VanDerWaalsContact CE-NE 3.31Å; K274-R276 VanDerWaalsContact NZ-NH2 3.18Å
277G86.3Confident77.1Confident18 Ų1854.3 Ų54.319%0.18634%0.335CS..EExtended strand (participates in β ladder)trans-69.3155.6175.100000112.5N183 L247 S279 S280N183-G277 PolarHBondContact O-N 3.28Å; L247-G277 CarbonylContact O-C 3.51Å; L247-G277 WeakPolarHBondContact O-CA 3.41Å; G277-S279 VanDerWaalsContact C-N 3.25Å; G277-S279 PolarHBondContact O-N 3.02Å; G277-S280 WeakPolarHBondContact O-CB 3.19Å; G277-S280 PolarHBondContact O-N 3.09Å; G277-S280 PolarHBondContact O-OG 3.45Å
278E77.3Confident76.4Confident110 Ų11057.5 Ų57.551%0.51435%0.349SS..G310 helixtrans-55-37.7179.9-173.4177.2-154.200113.2L247 S280 L281L247-E278 PolarHBondContact O-N 3.28Å; E278-S280 PolarHBondContact O-N 2.86Å; E278-S280 VanDerWaalsContact O-N 3.08Å; E278-L281 WeakPolarHBondContact O-CB 3.49Å; E278-L281 PolarHBondContact O-N 3.11Å
279S67.9Low75.6Confident105 Ų10558.2 Ų58.273%0.73435%0.354SS*.G310 helixtrans-59.8-20.1176.354.50000114.3G277G277-S279 VanDerWaalsContact C-N 3.25Å; G277-S279 PolarHBondContact O-N 3.02Å
280S61Low75Confident56 Ų5658.4 Ų58.439%0.39236%0.363SS..G310 helixtrans-94.8-0.6176.373.10000113.7G277 E278G277-S280 WeakPolarHBondContact O-CB 3.19Å; G277-S280 PolarHBondContact O-N 3.09Å; G277-S280 PolarHBondContact O-OG 3.45Å; E278-S280 PolarHBondContact O-N 2.86Å; E278-S280 VanDerWaalsContact O-N 3.08Å
281L64.6Low74.4Confident30 Ų3058 Ų5816%0.15736%0.362CS..SBendtrans-97.5153.3177-58.5173.8000110.1I249 E278 L286I249-L281 HydrophobicContact CD1-CD2 3.92Å; I249-L281 HydrophobicContact CG1-CD1 4.43Å; I249-L281 HydrophobicContact CG1-CD2 4.27Å; I249-L281 HydrophobicContact CG2-CD1 4.4Å; E278-L281 WeakPolarHBondContact O-CB 3.49Å; E278-L281 PolarHBondContact O-N 3.11Å; L281-L286 HydrophobicContact CD1-CD2 3.51Å; L281-L286 HydrophobicContact CD1-CG 4.38Å
282A59.9Low73.4Confident82 Ų8264.6 Ų64.668%0.67839%0.39SS*.PPolyproline II helixtrans-61.2139.4179.700000110.8G284A282-G284 PolarHBondContact O-N 3.18Å
283P54.2Low72.4Confident136 Ų13664.3 Ų64.388%0.88339%0.388SS*.THydrogen-bonded Turntrans-59.5128.9-177.9-20.530.1000111.9
284G56.8Low70.7Confident77 Ų7769.2 Ų69.279%0.79441%0.411SS*.THydrogen-bonded Turntrans102.4-0.8164.100000117.3A282A282-G284 PolarHBondContact O-N 3.18Å
285T54.5Low68.9Low116 Ų11673.6 Ų73.671%0.71243%0.432SS*.  trans-157.7119.6167.9-32.30000111P287T285-P287 WeakPolarHBondContact O-CD 3.38Å
286L59.7Low67.1Low68 Ų6876.4 Ų76.436%0.35645%0.454SS..  trans-67.6109.9164.8-96.5150.7000107.5C246 I249 L281C246-L286 HydrophobicContact CB-CD1 4.45Å; I249-L286 HydrophobicContact CG2-CD2 3.92Å; L281-L286 HydrophobicContact CD1-CD2 3.51Å; L281-L286 HydrophobicContact CD1-CG 4.38Å
287P65.8Low65.6Low64 Ų6476.3 Ų76.342%0.41646%0.458SS..PPolyproline II helixtrans-63.6140.9179.226.5-32.4000109.3T285 P289T285-P287 WeakPolarHBondContact O-CD 3.38Å; P287-P289 WeakPolarHBondContact O-CD 3.33Å; P287-P289 VanDerWaalsContact O-N 3.12Å
288K74.5Confident64.2Low124 Ų12476.2 Ų76.254%0.53945%0.453SS..PPolyproline II helixtrans-52.5121.3174.5-175.1170.2-178.1170.50108.3D218 A290D218-K288 WeakPolarHBondContact OD2-CE 3.22Å; D218-K288 IonicContact OD2-NZ 2.71Å; D218-K288 PolarHBondContact OD2-NZ 2.96Å; K288-A290 PolarHBondContact O-N 3.41Å; K288-A290 VanDerWaalsContact O-N 3.11Å
289P77.7Confident62.9Low17 Ų1777.8 Ų77.811%0.1146%0.461CS..PPolyproline II helixtrans-59.5120.8-178-21.429.9000109.6N216 A237 G238 T239 I249 P287N216-P289 PolarHBondContact ND2-O 3.37Å; A237-P289 HydrophobicContact CB-CB 3.84Å; G238-P289 WeakPolarHBondContact O-CB 3.19Å; G238-P289 WeakPolarHBondContact O-CG 3.44Å; T239-P289 HydrophobicContact CG2-CG 3.71Å; I249-P289 HydrophobicContact CG2-CG 4.02Å; P287-P289 WeakPolarHBondContact O-CD 3.33Å; P287-P289 VanDerWaalsContact O-N 3.12Å
290A75.9Confident62.3Low44 Ų4475.4 Ų75.436%0.36445%0.447SS..  trans-133.2143-178.700000110H220 A237 K288H220-A290 HydrophobicContact CB-CB 4.5Å; H220-A290 VanDerWaalsContact O-CA 3.26Å; H220-A290 WeakPolarHBondContact O-CA 3.44Å; A237-A290 VanDerWaalsContact CB-C 3.47Å; K288-A290 PolarHBondContact O-N 3.41Å; K288-A290 VanDerWaalsContact O-N 3.11Å
291V77.1Confident61.9Low8 Ų875 Ų755%0.04844%0.439CS..  trans-78126.7179.5179.70000109.1H220 G221 K223 G235 A237 F293H220-V291 PolarHBondContact O-N 3.21Å; H220-V291 VanDerWaalsContact O-N 3.13Å; G221-V291 WeakPolarHBondContact O-CG2 3.44Å; K223-V291 HydrophobicContact CB-CG1 4.28Å; K223-V291 HydrophobicContact CD-CB 4.16Å; K223-V291 HydrophobicContact CD-CG1 4.05Å; K223-V291 WeakPolarHBondContact CE-O 3.42Å; K223-V291 HydrophobicContact CG-CB 4.15Å; K223-V291 HydrophobicContact CG-CG1 4.29Å; K223-V291 PolarHBondContact NZ-O 3.34Å; G235-V291 WeakPolarHBondContact O-CG2 3.32Å; A237-V291 HydrophobicContact CB-CG2 3.86Å; V291-F293 HydrophobicContact CG1-CB 4Å
292K72.7Confident61.2Low139 Ų13976 Ų7660%0.60444%0.441SS*.  trans-98.2-11.6-177.4-60.8-174.3179.5-171.40113.5E251E251-K292 PolarHBondContact OE1-N 3.38Å
293F69.3Low60.3Low16 Ų1676.9 Ų76.97%0.0743%0.434CS..  trans-62.8135173.7168.4-94000111.2K223 M233 I253 V291 D297 L298 F301K223-F293 PolarHBondContact NZ-O 3.09Å; M233-F293 HydrophobicContact CE-CD1 4.45Å; M233-F293 HydrophobicContact CE-CD2 4.11Å; M233-F293 HydrophobicContact CE-CE1 3.79Å; M233-F293 HydrophobicContact CE-CE2 3.33Å; M233-F293 HydrophobicContact CE-CZ 3.18Å; M233-F293 HydrophobicContact SD-CE1 4.37Å; M233-F293 HydrophobicContact SD-CE2 4.13Å; M233-F293 HydrophobicContact SD-CZ 3.6Å; I253-F293 HydrophobicContact CD1-CB 3.8Å; I253-F293 HydrophobicContact CD1-CD2 4.07Å; I253-F293 HydrophobicContact CD1-CG 4.11Å; V291-F293 HydrophobicContact CG1-CB 4Å; F293-D297 HydrophobicContact CD2-CB 3.33Å; F293-D297 HydrophobicContact CE2-CB 3.12Å; F293-D297 HydrophobicContact CG-CB 4.42Å; F293-D297 HydrophobicContact CZ-CB 4.04Å; F293-L298 HydrophobicContact CZ-CB 4.11Å; F293-L298 HydrophobicContact CZ-CD1 4.17Å; F293-F301 HydrophobicContact CD2-CD2 4.38Å; F293-F301 AromaticContact CD2-CE2 3.73Å; F293-F301 HydrophobicContact CD2-CE2 3.73Å; F293-F301 AromaticContact CE2-CD2 3.62Å; F293-F301 HydrophobicContact CE2-CD2 3.62Å; F293-F301 AromaticContact CE2-CE2 3.44Å; F293-F301 HydrophobicContact CE2-CE2 3.44Å; F293-F301 VanDerWaalsContact CE2-CE2 3.44Å; F293-F301 HydrophobicContact CZ-CD2 4.49Å
294E58.6Low59.8Low103 Ų10374 Ų7448%0.48141%0.414SS..  trans-111.1157.9178.3-69.2-56.614300111.5K223 S296 D297K223-E294 IonicContact NZ-OE1 2.98Å; K223-E294 PolarHBondContact NZ-OE1 3.44Å; K223-E294 IonicContact NZ-OE2 3.94Å; E294-S296 PolarHBondContact O-N 2.92Å; E294-S296 VanDerWaalsContact O-N 3.12Å; E294-D297 PolarHBondContact N-OD2 3.4Å; E294-D297 VanDerWaalsContact O-CB 3.31Å; E294-D297 WeakPolarHBondContact O-CB 3.36Å; E294-D297 PolarHBondContact O-N 2.7Å
295Q54Low59.1Low143 Ų14374 Ų7467%0.66840%0.395SS*.THydrogen-bonded Turntrans-61.8-24.8-177.2-168.9167.34.600113.2D297 L298Q295-D297 VanDerWaalsContact C-N 3.31Å; Q295-D297 PolarHBondContact O-N 3.46Å; Q295-L298 WeakPolarHBondContact O-CB 3.24Å; Q295-L298 PolarHBondContact O-N 3.42Å
296S52.6Low58.3Low82 Ų8273.3 Ų73.357%0.57339%0.39SS*.THydrogen-bonded Turntrans-66.6-29173.149.30000113.6E294 L298 E299E294-S296 PolarHBondContact O-N 2.92Å; E294-S296 VanDerWaalsContact O-N 3.12Å; S296-L298 PolarHBondContact O-N 3.13Å; S296-E299 PolarHBondContact O-N 2.8Å
297D57.6Low57.1Low64 Ų6475.8 Ų75.834%0.34240%0.404SS..Hα-helixtrans-69.3-19.4177.7-63.4-33.6000110.9F293 E294 Q295 E299 A300 F301F293-D297 HydrophobicContact CD2-CB 3.33Å; F293-D297 HydrophobicContact CE2-CB 3.12Å; F293-D297 HydrophobicContact CG-CB 4.42Å; F293-D297 HydrophobicContact CZ-CB 4.04Å; E294-D297 PolarHBondContact N-OD2 3.4Å; E294-D297 VanDerWaalsContact O-CB 3.31Å; E294-D297 WeakPolarHBondContact O-CB 3.36Å; E294-D297 PolarHBondContact O-N 2.7Å; Q295-D297 VanDerWaalsContact C-N 3.31Å; Q295-D297 PolarHBondContact O-N 3.46Å; D297-E299 VanDerWaalsContact C-N 3.3Å; D297-E299 PolarHBondContact O-N 2.66Å; D297-A300 WeakPolarHBondContact O-CB 3.31Å; D297-A300 PolarHBondContact O-N 3.33Å; D297-A300 VanDerWaalsContact O-N 3.14Å; D297-F301 HydrophobicContact CB-CD2 4.44Å; D297-F301 HydrophobicContact CB-CE2 4.12Å; D297-F301 WeakPolarHBondContact O-CD2 3.47Å; D297-F301 PolarHBondContact O-N 2.95Å
298L55.9Low55.5Low16 Ų1676.6 Ų76.68%0.08441%0.41CS..Hα-helixtrans-57.8-42.2175.7-154.8117.9000111.2A225 M233 F293 Q295 S296 F301 Y302A225-L298 HydrophobicContact CB-CD1 3.46Å; A225-L298 VanDerWaalsContact CB-CD1 3.46Å; M233-L298 HydrophobicContact CB-CD1 3.98Å; M233-L298 HydrophobicContact CG-CD1 3.79Å; M233-L298 HydrophobicContact CG-CG 4.42Å; M233-L298 HydrophobicContact SD-CB 4.23Å; M233-L298 HydrophobicContact SD-CD1 3.43Å; M233-L298 WeakPolarHBondContact SD-CD1 3.31Å; M233-L298 HydrophobicContact SD-CG 3.66Å; F293-L298 HydrophobicContact CZ-CB 4.11Å; F293-L298 HydrophobicContact CZ-CD1 4.17Å; Q295-L298 WeakPolarHBondContact O-CB 3.24Å; Q295-L298 PolarHBondContact O-N 3.42Å; S296-L298 PolarHBondContact O-N 3.13Å; L298-F301 PolarHBondContact O-N 2.77Å; L298-Y302 HydrophobicContact CD2-CD2 4.31Å; L298-Y302 HydrophobicContact CD2-CE2 3.98Å; L298-Y302 VanDerWaalsContact O-CD2 3.27Å; L298-Y302 WeakPolarHBondContact O-CD2 3.33Å; L298-Y302 PolarHBondContact O-N 3.17Å; L298-Y302 VanDerWaalsContact O-N 3.12Å
299E51.2Low53.4Low143 Ų14374 Ų7467%0.66842%0.419SS*.Hα-helixtrans-67-34.7176.6-66.6-176.9174.100112.3S296 D297 Y302 N303S296-E299 PolarHBondContact O-N 2.8Å; D297-E299 VanDerWaalsContact C-N 3.3Å; D297-E299 PolarHBondContact O-N 2.66Å; E299-Y302 WeakPolarHBondContact O-CB 3.31Å; E299-Y302 PolarHBondContact O-N 2.75Å; E299-N303 PolarHBondContact O-N 3.49Å; E299-N303 PolarHBondContact O-ND2 3.01Å
300A54Low51.1Low55 Ų5578.5 Ų78.546%0.45545%0.446SS..Hα-helixtrans-67.5-39174.900000111.8D297 Y302 N303 V304D297-A300 WeakPolarHBondContact O-CB 3.31Å; D297-A300 PolarHBondContact O-N 3.33Å; D297-A300 VanDerWaalsContact O-N 3.14Å; A300-Y302 VanDerWaalsContact C-N 3.33Å; A300-Y302 PolarHBondContact O-N 3.37Å; A300-N303 PolarHBondContact O-N 3Å; A300-V304 WeakPolarHBondContact O-CG2 3.36Å; A300-V304 PolarHBondContact O-N 2.68Å
301F53.6Low49Very low48 Ų4882.1 Ų82.121%0.21147%0.468CS..Hα-helixtrans-66.9-33.5174.8-73.3-65.3000112.8M233 F270 N272 F293 D297 L298 V304 I305M233-F301 HydrophobicContact CE-CD2 3.74Å; M233-F301 HydrophobicContact CE-CE2 4.13Å; M233-F301 HydrophobicContact CE-CG 4.4Å; M233-F301 HydrophobicContact SD-CB 4.49Å; M233-F301 HydrophobicContact SD-CD2 4.18Å; F270-F301 HydrophobicContact CE2-CD1 4.44Å; F270-F301 HydrophobicContact CZ-CB 4.44Å; N272-F301 WeakPolarHBondContact ND2-CE1 3.32Å; N272-F301 WeakPolarHBondContact ND2-CZ 3.37Å; F293-F301 HydrophobicContact CD2-CD2 4.38Å; F293-F301 AromaticContact CD2-CE2 3.73Å; F293-F301 HydrophobicContact CD2-CE2 3.73Å; F293-F301 AromaticContact CE2-CD2 3.62Å; F293-F301 HydrophobicContact CE2-CD2 3.62Å; F293-F301 AromaticContact CE2-CE2 3.44Å; F293-F301 HydrophobicContact CE2-CE2 3.44Å; F293-F301 VanDerWaalsContact CE2-CE2 3.44Å; F293-F301 HydrophobicContact CZ-CD2 4.49Å; D297-F301 HydrophobicContact CB-CD2 4.44Å; D297-F301 HydrophobicContact CB-CE2 4.12Å; D297-F301 WeakPolarHBondContact O-CD2 3.47Å; D297-F301 PolarHBondContact O-N 2.95Å; L298-F301 PolarHBondContact O-N 2.77Å; F301-V304 PolarHBondContact O-N 3.47Å; F301-I305 WeakPolarHBondContact O-CG1 3.18Å; F301-I305 PolarHBondContact O-N 3.46Å
302Y49.3Very low46.7Very low52 Ų5291.2 Ų91.220%0.20451%0.51CS..Hα-helixtrans-59.4-45.9171.5-98.6-74.1000113S227 L231 L298 E299 A300 V304 I305 T306S227-Y302 VanDerWaalsContact CB-CE2 3.48Å; S227-Y302 WeakPolarHBondContact CB-OH 3.31Å; S227-Y302 PolarHBondContact OG-OH 3.25Å; L231-Y302 HydrophobicContact CD2-CE2 4.15Å; L298-Y302 HydrophobicContact CD2-CD2 4.31Å; L298-Y302 HydrophobicContact CD2-CE2 3.98Å; L298-Y302 VanDerWaalsContact O-CD2 3.27Å; L298-Y302 WeakPolarHBondContact O-CD2 3.33Å; L298-Y302 PolarHBondContact O-N 3.17Å; L298-Y302 VanDerWaalsContact O-N 3.12Å; E299-Y302 WeakPolarHBondContact O-CB 3.31Å; E299-Y302 PolarHBondContact O-N 2.75Å; A300-Y302 VanDerWaalsContact C-N 3.33Å; A300-Y302 PolarHBondContact O-N 3.37Å; Y302-V304 VanDerWaalsContact C-N 3.33Å; Y302-V304 PolarHBondContact O-N 2.62Å; Y302-I305 PolarHBondContact O-N 3.14Å; Y302-T306 PolarHBondContact O-N 3.2Å; Y302-T306 VanDerWaalsContact O-N 3.14Å; Y302-T306 PolarHBondContact O-OG1 3.19Å
303N42Very low44.8Very low99 Ų9990.3 Ų90.353%0.52952%0.516SS..Hα-helixtrans-67.8-32.9-179.2-70.1-33000112.4E299 A300 T306 L307E299-N303 PolarHBondContact O-N 3.49Å; E299-N303 PolarHBondContact O-ND2 3.01Å; A300-N303 PolarHBondContact O-N 3Å; N303-T306 PolarHBondContact O-N 2.94Å; N303-L307 WeakPolarHBondContact O-CB 3.45Å; N303-L307 WeakPolarHBondContact O-CD1 3.5Å; N303-L307 PolarHBondContact O-N 3.18Å
304V43.1Very low42.8Very low76 Ų76101.1 Ų101.146%0.46156%0.557SS.*Hα-helixtrans-70.6-36.3176.6174.90000112.5A300 F301 Y302 T306 C308A300-V304 WeakPolarHBondContact O-CG2 3.36Å; A300-V304 PolarHBondContact O-N 2.68Å; F301-V304 PolarHBondContact O-N 3.47Å; Y302-V304 VanDerWaalsContact C-N 3.33Å; Y302-V304 PolarHBondContact O-N 2.62Å; V304-T306 VanDerWaalsContact C-N 3.31Å; V304-C308 PolarHBondContact O-N 2.98Å
305I43.3Very low41.7Very low76 Ų76104.1 Ų104.139%0.3957%0.57SS.*Hα-helixtrans-68-35.2174.5-65.9171.5000110.5F270 F301 Y302F270-I305 HydrophobicContact CD1-CD1 3.85Å; F270-I305 HydrophobicContact CE1-CD1 3.8Å; F301-I305 WeakPolarHBondContact O-CG1 3.18Å; F301-I305 PolarHBondContact O-N 3.46Å; Y302-I305 PolarHBondContact O-N 3.14Å
306T36.7Very low40.4Very low102 Ų102104.8 Ų104.863%0.62658%0.579SS**Hα-helixtrans-79.7-37-177.8-430000112.8Y302 N303 V304Y302-T306 PolarHBondContact O-N 3.2Å; Y302-T306 VanDerWaalsContact O-N 3.14Å; Y302-T306 PolarHBondContact O-OG1 3.19Å; N303-T306 PolarHBondContact O-N 2.94Å; V304-T306 VanDerWaalsContact C-N 3.31Å
307L33.8Very low39.4Very low121 Ų121108.3 Ų108.363%0.63460%0.596SS**Hα-helixtrans-76.7-22.1-180-99.390.1000114.6N303 G309 T310N303-L307 WeakPolarHBondContact O-CB 3.45Å; N303-L307 WeakPolarHBondContact O-CD1 3.5Å; N303-L307 PolarHBondContact O-N 3.18Å; L307-G309 PolarHBondContact O-N 3.06Å; L307-T310 PolarHBondContact O-N 3.28Å; L307-T310 PolarHBondContact O-OG1 2.95Å
308C32.4Very low38.1Very low81 Ų81114.3 Ų114.355%0.54762%0.619SS.*THydrogen-bonded Turntrans-75.72.7179.1-89.10000114.6K177 V304 T310K177-C308 VanDerWaalsContact NZ-CB 3.32Å; K177-C308 PolarHBondContact NZ-SG 2.72Å; V304-C308 PolarHBondContact O-N 2.98Å; C308-T310 VanDerWaalsContact C-N 3.35Å
309G31.8Very low36.9Very low70 Ų70121.8 Ų121.872%0.72265%0.654SS**THydrogen-bonded Turntrans-83.7-6.7170.100000114.3L307L307-G309 PolarHBondContact O-N 3.06Å
310T28.2Very low35.8Very low110 Ų110124.6 Ų124.668%0.67566%0.664SS**SBendtrans-128.1102.5-179.845.10000109.9L307 C308 E312L307-T310 PolarHBondContact O-N 3.28Å; L307-T310 PolarHBondContact O-OG1 2.95Å; C308-T310 VanDerWaalsContact C-N 3.35Å; T310-E312 PolarHBondContact O-N 3.2Å
311S31.1Very low34.7Very low121 Ų121130 Ų13085%0.84668%0.684SS**  trans-68.5104.8165.1-47.90000108.5
312E29.8Very low33.7Very low198 Ų198135.7 Ų135.793%0.92572%0.717SS**  trans-167.5137.6139-106.8174.2-15700112T310T310-E312 PolarHBondContact O-N 3.2Å
313V33.1Very low32.7Very low121 Ų121138.4 Ų138.473%0.73374%0.744SS**  trans-70.1140.6-169.4171.50000112.1
314R26.6Very low32.1Very low243 Ų243136.9 Ų136.992%0.91775%0.751SS**  trans-162.4123.4130.6-107167.1-160-163.55.7112.7
315H34.7Very low31.6Very low166 Ų166140.3 Ų140.377%0.76977%0.773SS**  trans-38.4131.6159.8-75.1-98000112.1
316N27.7Very low30.9Very low157 Ų157140 Ų14084%0.8479%0.788SS**  trans-169.683.6139-95.1-21.5000109.9
317V30.8Very low30.8Very low156 Ų156141.6 Ų141.695%0.94579%0.793SS**  trans-128.979.9151.1-175.90000106.4
318K30.8Very low31Very low190 Ų190143.6 Ų143.683%0.82680%0.799SS**  trans-134.1133.9155.7-156.8176.3-176.7-179.90107
319Q31.2Very low31.1Very low173 Ų173150.3 Ų150.381%0.80884%0.837SS**  trans82.672.6178.1-66.8176.2-28.500116.8
320F27Very low31.1Very low201 Ų201154.3 Ų154.388%0.88284%0.843SS**SBendtrans-133.552.7138.3-144.6-85.9000109.6
321L32Very low31.2Very low168 Ų168156.6 Ų156.688%0.8885%0.851SS**  trans-151.373.1168.7-89.9166.7000106
322D31.4Very low31.2Very low168 Ų168158.6 Ų158.690%0.89885%0.852SS**  trans-159.585.6144.2-127.2-3.2000108.8
323S30.1Very low31.3Very low110 Ų110156.3 Ų156.377%0.76985%0.847SS**  trans-147.1106.5162.362.80000109.3
324G28.7Very low31.2Very low66 Ų66158.5 Ų158.568%0.6886%0.855SS**  trans105.4127.8165.400000113
325T32.7Very low31.5Very low149 Ų149152.9 Ų152.991%0.91485%0.85SS**  cis-173.715023.9-29.80000110.3
326G28.9Very low31.3Very low70 Ų70151.9 Ų151.972%0.72286%0.856SS**  trans81.9150152.200000116.3
327D34.3Very low31.5Very low134 Ų134151.5 Ų151.572%0.71786%0.857SS**  cis-173152.72.5-141.87000106.6
328Q36.7Very low31.6Very low164 Ų164151.2 Ų151.277%0.76685%0.85SS**  trans45.2114.6152-61.617662.100120.5
329V35.4Very low31.7Very low221 Ų221147.6 Ų147.6100%1.33985%0.852SS**  -157.60103.1171.90000108.7

Retrieved 329 of 329 residues in 260.3 ms (Link to these results)