A0A3Q0KFS1_SCHMA Loading...

Orotidine-5'-phosphate decarboxylase

AlphaFold DB , UniProt , Accession A0A3Q0KFS1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 463 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
1M58.1Low91.3Very high113 Ų11360.8 Ų60.856%0.55728%0.28SS*.  0145.90-174.3171.9-57.500108.3R3 R5 I6 E47M1-R3 PolarHBondContact O-N 2.93Å; M1-R5 HydrophobicContact CG-CB 4.49Å; M1-R5 HydrophobicContact SD-CG 4.36Å; M1-I6 HydrophobicContact CB-CD1 4.47Å; M1-I6 HydrophobicContact CG-CD1 4.42Å; M1-I6 HydrophobicContact CG-CG1 4.19Å; M1-I6 HydrophobicContact SD-CD1 4.04Å; M1-I6 HydrophobicContact SD-CG1 3.5Å; M1-I6 VanDerWaalsContact SD-CG1 3.5Å; M1-E47 HydrophobicContact CE-CB 3.56Å; M1-E47 VanDerWaalsContact CE-CD 3.46Å; M1-E47 HydrophobicContact CE-CG 3.46Å; M1-E47 VanDerWaalsContact CE-CG 3.46Å; M1-E47 WeakPolarHBondContact CE-OE2 3.47Å; M1-E47 HydrophobicContact SD-CB 4.44Å
2E85.4Confident91.7Very high157 Ų15763.8 Ų63.873%0.73430%0.3SS*.  trans-69.9127.5172.5-68.5-176167.600110S4 R5E2-S4 PolarHBondContact O-N 3.28Å; E2-S4 VanDerWaalsContact O-N 3.09Å; E2-R5 PolarHBondContact O-N 3.04Å
3R90.9Very high92Very high99 Ų9963.4 Ų63.437%0.37430%0.298SS..Hα-helixtrans-51.5-33.6179.2-70.8177.786.8-168.91.8111.4M1 R5 I6 A7 L166 F167 E171 I175M1-R3 PolarHBondContact O-N 2.93Å; R3-R5 PolarHBondContact O-N 3.22Å; R3-I6 PolarHBondContact O-N 2.81Å; R3-I6 VanDerWaalsContact O-N 3.16Å; R3-A7 PolarHBondContact O-N 3.4Å; R3-L166 PolarHBondContact NE-O 3.32Å; R3-L166 PolarHBondContact NH2-O 3.15Å; R3-F167 HydrophobicContact CB-CE1 3.83Å; R3-F167 HydrophobicContact CB-CZ 3.82Å; R3-F167 HydrophobicContact CG-CE1 4.37Å; R3-F167 HydrophobicContact CG-CZ 4.28Å; R3-F167 WeakPolarHBondContact O-CZ 3.27Å; R3-E171 IonicContact CZ-OE1 3.86Å; R3-E171 IonicContact CZ-OE2 3.89Å; R3-E171 IonicContact NH1-OE1 3.72Å; R3-E171 PolarHBondContact NH1-OE1 3.28Å; R3-E171 IonicContact NH1-OE2 3.66Å; R3-E171 VanDerWaalsContact NH2-CD 3.27Å; R3-E171 IonicContact NH2-OE1 3.63Å; R3-E171 PolarHBondContact NH2-OE1 3.06Å; R3-E171 IonicContact NH2-OE2 3.47Å; R3-E171 PolarHBondContact NH2-OE2 2.92Å; R3-I175 HydrophobicContact CB-CD1 4.49Å
4S93.3Very high92.2Very high43 Ų4360.5 Ų60.530%0.30129%0.294SS..Hα-helixtrans-59.8-42.2178.1-47.20000114.1E2 I6 A7 L8E2-S4 PolarHBondContact O-N 3.28Å; E2-S4 VanDerWaalsContact O-N 3.09Å; S4-I6 VanDerWaalsContact C-N 3.3Å; S4-I6 PolarHBondContact O-N 3.08Å; S4-A7 PolarHBondContact O-N 2.84Å; S4-L8 VanDerWaalsContact O-CG 3.28Å; S4-L8 WeakPolarHBondContact O-CG 3.48Å; S4-L8 PolarHBondContact O-N 2.98Å
5R95.4Very high92.5Very high119 Ų11956.5 Ų56.545%0.44927%0.274SS..Hα-helixtrans-62.2-39.5176.4177.1179.6151.8173.6-11.2111.9M1 E2 R3 T9 E47M1-R5 HydrophobicContact CG-CB 4.49Å; M1-R5 HydrophobicContact SD-CG 4.36Å; E2-R5 PolarHBondContact O-N 3.04Å; R3-R5 PolarHBondContact O-N 3.22Å; R5-T9 WeakPolarHBondContact O-CB 3.34Å; R5-T9 PolarHBondContact O-N 3.34Å; R5-T9 PolarHBondContact O-OG1 3.48Å; R5-E47 IonicContact CZ-OE2 2.81Å; R5-E47 IonicContact NE-OE2 3.86Å; R5-E47 IonicContact NH2-OE1 3.47Å; R5-E47 PolarHBondContact NH2-OE1 3.16Å; R5-E47 IonicContact NH2-OE2 3.77Å; R5-E47 PolarHBondContact NH2-OE2 2.86Å
6I96.5Very high92.8Very high2 Ų253.4 Ų53.41%0.0126%0.26CS..Hα-helixtrans-64.8-48178.8-64.4174.8000110.1M1 R3 S4 L8 T9 F10 F44 I48 S51 L166 F167M1-I6 HydrophobicContact CB-CD1 4.47Å; M1-I6 HydrophobicContact CG-CD1 4.42Å; M1-I6 HydrophobicContact CG-CG1 4.19Å; M1-I6 HydrophobicContact SD-CD1 4.04Å; M1-I6 HydrophobicContact SD-CG1 3.5Å; M1-I6 VanDerWaalsContact SD-CG1 3.5Å; R3-I6 PolarHBondContact O-N 2.81Å; R3-I6 VanDerWaalsContact O-N 3.16Å; S4-I6 VanDerWaalsContact C-N 3.3Å; S4-I6 PolarHBondContact O-N 3.08Å; I6-L8 PolarHBondContact O-N 2.88Å; I6-T9 PolarHBondContact O-N 2.97Å; I6-F10 HydrophobicContact CG2-CD2 4.04Å; I6-F10 HydrophobicContact CG2-CE1 4.16Å; I6-F10 HydrophobicContact CG2-CE2 3.58Å; I6-F10 HydrophobicContact CG2-CZ 3.64Å; I6-F10 WeakPolarHBondContact O-CG 3.37Å; I6-F10 PolarHBondContact O-N 3.44Å; I6-F44 HydrophobicContact CG1-CE2 4.48Å; I6-F44 HydrophobicContact CG2-CE2 4.35Å; I6-F44 HydrophobicContact CG2-CZ 4.05Å; I6-I48 HydrophobicContact CD1-CD1 4.33Å; I6-I48 HydrophobicContact CG1-CD1 4.4Å; I6-I48 HydrophobicContact CG2-CD1 3.43Å; I6-I48 VanDerWaalsContact CG2-CD1 3.43Å; I6-S51 WeakPolarHBondContact CD1-OG 3.25Å; I6-L166 HydrophobicContact CD1-CD2 4.47Å; I6-F167 HydrophobicContact CB-CE2 4.13Å; I6-F167 HydrophobicContact CB-CZ 4.13Å; I6-F167 HydrophobicContact CG2-CE2 3.63Å; I6-F167 HydrophobicContact CG2-CZ 4.13Å
7A96.9Very high93Very high0 Ų054.2 Ų54.20%026%0.262CS..Hα-helixtrans-56.6-48.6177.400000111.9R3 S4 T9 F10 Y11 L172 I175 L176R3-A7 PolarHBondContact O-N 3.4Å; S4-A7 PolarHBondContact O-N 2.84Å; A7-T9 PolarHBondContact O-N 3.47Å; A7-F10 WeakPolarHBondContact O-CB 3.3Å; A7-F10 PolarHBondContact O-N 3.23Å; A7-Y11 PolarHBondContact O-N 3Å; A7-Y11 VanDerWaalsContact O-N 3.1Å; A7-L172 HydrophobicContact CB-CD1 3.53Å; A7-I175 HydrophobicContact CB-CB 4.1Å; A7-I175 HydrophobicContact CB-CD1 4.17Å; A7-I175 HydrophobicContact CB-CG2 3.84Å; A7-L176 WeakPolarHBondContact O-CD2 3.39Å
8L97.1Very high93.1Very high31 Ų3153.3 Ų53.316%0.16226%0.257CS..Hα-helixtrans-59.6-44.5176.9-69.1177.5000112.4S4 I6 F10 Y11 D12 L176 E179 R181S4-L8 VanDerWaalsContact O-CG 3.28Å; S4-L8 WeakPolarHBondContact O-CG 3.48Å; S4-L8 PolarHBondContact O-N 2.98Å; I6-L8 PolarHBondContact O-N 2.88Å; L8-F10 VanDerWaalsContact C-N 3.34Å; L8-F10 PolarHBondContact O-N 3.25Å; L8-Y11 PolarHBondContact O-N 3.01Å; L8-D12 VanDerWaalsContact O-CG 3.29Å; L8-D12 PolarHBondContact O-N 3.29Å; L8-L176 HydrophobicContact CD2-CD2 4.33Å; L8-E179 HydrophobicContact CD1-CG 4.24Å; L8-E179 HydrophobicContact CD2-CB 3.6Å; L8-E179 HydrophobicContact CD2-CG 3.97Å; L8-E179 HydrophobicContact CG-CG 4.38Å; L8-R181 HydrophobicContact CD2-CG 3.52Å
9T96.5Very high93.1Very high35 Ų3552.4 Ų52.422%0.21526%0.263CS..Hα-helixtrans-66.9-36.3179.2-50.80000111.6R5 I6 A7 Y11 D12 M13 F44R5-T9 WeakPolarHBondContact O-CB 3.34Å; R5-T9 PolarHBondContact O-N 3.34Å; R5-T9 PolarHBondContact O-OG1 3.48Å; I6-T9 PolarHBondContact O-N 2.97Å; A7-T9 PolarHBondContact O-N 3.47Å; T9-Y11 VanDerWaalsContact C-N 3.33Å; T9-Y11 PolarHBondContact O-N 2.9Å; T9-D12 PolarHBondContact O-N 2.92Å; T9-M13 HydrophobicContact CG2-CG 4.21Å; T9-M13 HydrophobicContact CG2-SD 3.95Å; T9-M13 VanDerWaalsContact O-CB 3.3Å; T9-M13 WeakPolarHBondContact O-CB 3.49Å; T9-M13 VanDerWaalsContact O-CG 3.29Å; T9-M13 WeakPolarHBondContact O-CG 3.08Å; T9-M13 PolarHBondContact O-N 3.12Å; T9-F44 VanDerWaalsContact CB-CZ 3.46Å; T9-F44 HydrophobicContact CG2-CD1 3.79Å; T9-F44 HydrophobicContact CG2-CD2 3.69Å; T9-F44 HydrophobicContact CG2-CE1 3.65Å; T9-F44 HydrophobicContact CG2-CE2 3.57Å; T9-F44 HydrophobicContact CG2-CG 3.8Å; T9-F44 HydrophobicContact CG2-CZ 3.55Å
10F97.2Very high93.1Very high0 Ų059.1 Ų59.10%029%0.29CS..Hα-helixtrans-57.9-46.3171.3-75.5-24.7000111.5I6 A7 L8 G14 V15 V16 L35 L38 F44 I48 I145 I146 F167 L172I6-F10 HydrophobicContact CG2-CD2 4.04Å; I6-F10 HydrophobicContact CG2-CE1 4.16Å; I6-F10 HydrophobicContact CG2-CE2 3.58Å; I6-F10 HydrophobicContact CG2-CZ 3.64Å; I6-F10 WeakPolarHBondContact O-CG 3.37Å; I6-F10 PolarHBondContact O-N 3.44Å; A7-F10 WeakPolarHBondContact O-CB 3.3Å; A7-F10 PolarHBondContact O-N 3.23Å; L8-F10 VanDerWaalsContact C-N 3.34Å; L8-F10 PolarHBondContact O-N 3.25Å; F10-G14 PolarHBondContact O-N 3.14Å; F10-V15 HydrophobicContact CB-CB 3.93Å; F10-V15 HydrophobicContact CB-CG1 4.23Å; F10-V15 HydrophobicContact CB-CG2 4.33Å; F10-V15 HydrophobicContact CD1-CB 4.26Å; F10-V15 HydrophobicContact CD1-CG1 4.24Å; F10-V15 HydrophobicContact CD1-CG2 3.92Å; F10-V15 HydrophobicContact CG-CB 4.33Å; F10-V15 HydrophobicContact CG-CG1 4.24Å; F10-V15 HydrophobicContact CG-CG2 4.46Å; F10-V15 VanDerWaalsContact O-CB 3.23Å; F10-V15 WeakPolarHBondContact O-CB 3.29Å; F10-V15 PolarHBondContact O-N 2.76Å; F10-V16 HydrophobicContact CB-CG2 4.37Å; F10-L35 HydrophobicContact CD1-CD2 4.23Å; F10-L35 HydrophobicContact CE1-CD2 3.77Å; F10-L35 HydrophobicContact CZ-CD2 3.97Å; F10-L38 HydrophobicContact CD1-CD2 4.27Å; F10-L38 HydrophobicContact CE1-CD1 4.35Å; F10-L38 HydrophobicContact CE1-CD2 3.97Å; F10-F44 AromaticContact CD1-CE1 3.49Å; F10-F44 HydrophobicContact CD1-CE1 3.49Å; F10-F44 VanDerWaalsContact CD1-CE1 3.49Å; F10-F44 AromaticContact CD1-CZ 3.66Å; F10-F44 HydrophobicContact CD1-CZ 3.66Å; F10-F44 AromaticContact CE1-CE1 3.58Å; F10-F44 HydrophobicContact CE1-CE1 3.58Å; F10-F44 AromaticContact CE1-CZ 3.69Å; F10-F44 HydrophobicContact CE1-CZ 3.69Å; F10-F44 HydrophobicContact CG-CZ 4.46Å; F10-I48 HydrophobicContact CE1-CD1 3.7Å; F10-I48 HydrophobicContact CE1-CG1 4.14Å; F10-I48 HydrophobicContact CZ-CD1 3.54Å; F10-I48 HydrophobicContact CZ-CG1 4.3Å; F10-I145 HydrophobicContact CE2-CG2 4.19Å; F10-I145 HydrophobicContact CZ-CG2 3.76Å; F10-I146 HydrophobicContact CD2-CD1 4.34Å; F10-I146 HydrophobicContact CE2-CD1 4.18Å; F10-F167 HydrophobicContact CE2-CD2 4.07Å; F10-F167 HydrophobicContact CE2-CE2 4.06Å; F10-L172 HydrophobicContact CD2-CD1 4.18Å
11Y97Very high93Very high70 Ų7059.6 Ų59.628%0.27529%0.289SS..Hα-helixtrans-64.3-51177.8-179.1-88000112A7 L8 T9 M13 G14 V16 F18 L176 R181 I182A7-Y11 PolarHBondContact O-N 3Å; A7-Y11 VanDerWaalsContact O-N 3.1Å; L8-Y11 PolarHBondContact O-N 3.01Å; T9-Y11 VanDerWaalsContact C-N 3.33Å; T9-Y11 PolarHBondContact O-N 2.9Å; Y11-M13 PolarHBondContact O-N 3.19Å; Y11-G14 WeakPolarHBondContact O-CA 3.44Å; Y11-G14 PolarHBondContact O-N 3.46Å; Y11-V16 HydrophobicContact CD2-CB 4.47Å; Y11-F18 HydrophobicContact CE2-CE2 4.24Å; Y11-L176 HydrophobicContact CD2-CD1 4.16Å; Y11-L176 HydrophobicContact CD2-CD2 4.4Å; Y11-L176 HydrophobicContact CG-CD2 4.12Å; Y11-R181 HydrophobicContact CD1-CB 3.9Å; Y11-R181 HydrophobicContact CD1-CG 4.02Å; Y11-R181 HydrophobicContact CD2-CB 4.33Å; Y11-R181 HydrophobicContact CE1-CB 4.04Å; Y11-R181 HydrophobicContact CE1-CG 4.4Å; Y11-R181 HydrophobicContact CE2-CB 4.45Å; Y11-R181 WeakPolarHBondContact CE2-O 3.31Å; Y11-R181 HydrophobicContact CG-CB 4.05Å; Y11-R181 HydrophobicContact CG-CG 4.43Å; Y11-R181 PolarHBondContact OH-O 3.44Å; Y11-I182 HydrophobicContact CD2-CG2 4.03Å; Y11-I182 HydrophobicContact CE2-CG2 3.63Å
12D96Very high94.1Very high97 Ų9761.8 Ų61.852%0.51930%0.298SS..Hα-helixtrans-64-29.6-175.9-66-17.3000112.1L8 T9 G14 R181L8-D12 VanDerWaalsContact O-CG 3.29Å; L8-D12 PolarHBondContact O-N 3.29Å; T9-D12 PolarHBondContact O-N 2.92Å; D12-G14 VanDerWaalsContact C-N 3.31Å; D12-R181 IonicContact OD1-CZ 2.85Å; D12-R181 IonicContact OD1-NE 2.75Å; D12-R181 PolarHBondContact OD1-NE 3.06Å; D12-R181 IonicContact OD1-NH2 3.61Å; D12-R181 IonicContact OD2-NE 3.89Å; D12-R181 IonicContact OD2-NH2 2.84Å
13M95.3Very high93.6Very high58 Ų5855.7 Ų55.729%0.28627%0.27SS..THydrogen-bonded Turntrans-78.9-10.6172.9-72.5-175.162.700113.9T9 Y11 V15 I37 L38 S41 F44T9-M13 HydrophobicContact CG2-CG 4.21Å; T9-M13 HydrophobicContact CG2-SD 3.95Å; T9-M13 VanDerWaalsContact O-CB 3.3Å; T9-M13 WeakPolarHBondContact O-CB 3.49Å; T9-M13 VanDerWaalsContact O-CG 3.29Å; T9-M13 WeakPolarHBondContact O-CG 3.08Å; T9-M13 PolarHBondContact O-N 3.12Å; Y11-M13 PolarHBondContact O-N 3.19Å; M13-V15 HydrophobicContact CB-CG2 4.46Å; M13-I37 HydrophobicContact CB-CD1 4.34Å; M13-I37 WeakPolarHBondContact O-CD1 3.42Å; M13-L38 HydrophobicContact CE-CD2 4.48Å; M13-S41 VanDerWaalsContact CE-CB 3.47Å; M13-F44 HydrophobicContact CE-CD1 4.48Å; M13-F44 HydrophobicContact SD-CD1 3.44Å; M13-F44 WeakPolarHBondContact SD-CD1 3.44Å; M13-F44 HydrophobicContact SD-CE1 3.92Å; M13-F44 HydrophobicContact SD-CG 4.25Å
14G95.4Very high92.4Very high23 Ų2360.8 Ų60.824%0.23730%0.295CS..THydrogen-bonded Turntrans78.325.1-17500000114.1F10 Y11 D12 V16 K17 I37F10-G14 PolarHBondContact O-N 3.14Å; Y11-G14 WeakPolarHBondContact O-CA 3.44Å; Y11-G14 PolarHBondContact O-N 3.46Å; D12-G14 VanDerWaalsContact C-N 3.31Å; G14-V16 VanDerWaalsContact C-N 3.3Å; G14-K17 WeakPolarHBondContact O-CE 3.44Å; G14-K17 WeakPolarHBondContact O-CG 3.45Å; G14-I37 VanDerWaalsContact C-CD1 3.48Å
15V96.3Very high91.1Very high0 Ų062.1 Ų62.10%031%0.305CS..SBendtrans-65.3-40.5169.2171.60000109.4F10 M13 I33 D34 L35 I37 L38F10-V15 HydrophobicContact CB-CB 3.93Å; F10-V15 HydrophobicContact CB-CG1 4.23Å; F10-V15 HydrophobicContact CB-CG2 4.33Å; F10-V15 HydrophobicContact CD1-CB 4.26Å; F10-V15 HydrophobicContact CD1-CG1 4.24Å; F10-V15 HydrophobicContact CD1-CG2 3.92Å; F10-V15 HydrophobicContact CG-CB 4.33Å; F10-V15 HydrophobicContact CG-CG1 4.24Å; F10-V15 HydrophobicContact CG-CG2 4.46Å; F10-V15 VanDerWaalsContact O-CB 3.23Å; F10-V15 WeakPolarHBondContact O-CB 3.29Å; F10-V15 PolarHBondContact O-N 2.76Å; M13-V15 HydrophobicContact CB-CG2 4.46Å; V15-I33 HydrophobicContact CG1-CG2 4.08Å; V15-I33 CarbonylContact O-C 3.54Å; V15-I33 WeakPolarHBondContact O-CA 3.3Å; V15-D34 PolarHBondContact O-N 3.45Å; V15-L35 HydrophobicContact CG1-CD2 3.51Å; V15-L35 HydrophobicContact CG1-CG 3.93Å; V15-L35 HydrophobicContact CG2-CD2 4.38Å; V15-I37 HydrophobicContact CB-CD1 4.36Å; V15-I37 HydrophobicContact CG2-CD1 3.66Å; V15-I37 HydrophobicContact CG2-CG1 3.8Å; V15-L38 HydrophobicContact CG2-CD2 4.33Å
16V97Very high89.9Confident7 Ų758.3 Ų58.34%0.04230%0.302CS..EExtended strand (participates in β ladder)trans-95.3115.8177.4-173.70000109F10 Y11 G14 F18 I31 I33 L172 L176F10-V16 HydrophobicContact CB-CG2 4.37Å; Y11-V16 HydrophobicContact CD2-CB 4.47Å; G14-V16 VanDerWaalsContact C-N 3.3Å; V16-F18 HydrophobicContact CG1-CE2 3.74Å; V16-F18 HydrophobicContact CG1-CZ 4.02Å; V16-I31 HydrophobicContact CG1-CD1 3.88Å; V16-I31 HydrophobicContact CG1-CG1 4.3Å; V16-I33 HydrophobicContact CB-CD1 4.36Å; V16-I33 HydrophobicContact CG1-CD1 4.19Å; V16-I33 HydrophobicContact CG2-CD1 4.01Å; V16-L172 HydrophobicContact CG2-CD2 3.89Å; V16-L176 HydrophobicContact CB-CD1 4.5Å; V16-L176 HydrophobicContact CG1-CD1 4.3Å; V16-L176 HydrophobicContact CG2-CD1 4.19Å
17K96Very high89.1Confident67 Ų6760.5 Ų60.529%0.29131%0.313SS..EExtended strand (participates in β ladder)trans-122.1128.7-178.8-54.2179.4-173.7168.40110.2G14 Y21 I31 Y32 D34G14-K17 WeakPolarHBondContact O-CE 3.44Å; G14-K17 WeakPolarHBondContact O-CG 3.45Å; K17-Y21 HydrophobicContact CB-CE2 4.37Å; K17-Y21 WeakPolarHBondContact CB-OH 3.37Å; K17-I31 CarbonylContact O-C 3.58Å; K17-I31 WeakPolarHBondContact O-CA 3.35Å; K17-Y32 HydrophobicContact CD-CD1 4.35Å; K17-Y32 PolarHBondContact N-O 3.38Å; K17-Y32 PolarHBondContact O-N 3.45Å; K17-D34 IonicContact NZ-OD2 2.72Å; K17-D34 PolarHBondContact NZ-OD2 3.34Å
18F95.9Very high88.6Confident38 Ų3865.7 Ų65.717%0.16734%0.34CS..EExtended strand (participates in β ladder)trans-97.4150173.9-65.1-88.1000110.7Y11 V16 Y21 P30 I31 L173 I182 Q186Y11-F18 HydrophobicContact CE2-CE2 4.24Å; V16-F18 HydrophobicContact CG1-CE2 3.74Å; V16-F18 HydrophobicContact CG1-CZ 4.02Å; F18-Y21 PolarHBondContact O-OH 3.37Å; F18-P30 CarbonylContact C-O 3.4Å; F18-P30 WeakPolarHBondContact CA-O 3.44Å; F18-I31 HydrophobicContact CE1-CD1 3.92Å; F18-I31 HydrophobicContact CE1-CG1 4.38Å; F18-I31 HydrophobicContact CZ-CD1 4.07Å; F18-L173 HydrophobicContact CE1-CD2 4.21Å; F18-L173 HydrophobicContact CZ-CD2 3.86Å; F18-I182 HydrophobicContact CD2-CG2 4.42Å; F18-I182 HydrophobicContact CE2-CB 4.38Å; F18-I182 HydrophobicContact CE2-CG2 3.39Å; F18-I182 HydrophobicContact CZ-CB 4.3Å; F18-I182 HydrophobicContact CZ-CD1 4.27Å; F18-I182 HydrophobicContact CZ-CG2 3.61Å; F18-Q186 HydrophobicContact CB-CG 4.42Å; F18-Q186 HydrophobicContact CD1-CB 3.86Å; F18-Q186 HydrophobicContact CD1-CG 3.93Å; F18-Q186 HydrophobicContact CE1-CB 3.8Å; F18-Q186 HydrophobicContact CE1-CG 4.36Å; F18-Q186 HydrophobicContact CG-CB 4.39Å; F18-Q186 HydrophobicContact CG-CG 4.05Å; F18-Q186 HydrophobicContact CZ-CB 4.29Å
19G93.2Very high88.3Confident36 Ų3664.2 Ų64.237%0.37133%0.332SS..EExtended strand (participates in β ladder)trans139.5-169.2-175.500000112.4Y21 P30G19-Y21 WeakPolarHBondContact O-CD2 3.39Å; G19-P30 PolarHBondContact N-O 2.91Å; G19-P30 CarbonylContact O-C 3.56Å; G19-P30 WeakPolarHBondContact O-CA 3.41Å
20K92Very high88.2Confident187 Ų18763 Ų6381%0.81333%0.325SS*.EExtended strand (participates in β ladder)trans-96.1107.4-178.4-65.7-177.4-179.2-179.10111.2I28K20-I28 HydrophobicContact CB-CG2 3.89Å; K20-I28 HydrophobicContact CG-CG2 4.22Å
21Y91Very high88.1Confident70 Ų7063 Ų6328%0.27533%0.325SS..EExtended strand (participates in β ladder)trans-119.7122.9-178.5-59.5-85.7000111.6K17 F18 G19 L23 I28 S29 Y32K17-Y21 HydrophobicContact CB-CE2 4.37Å; K17-Y21 WeakPolarHBondContact CB-OH 3.37Å; F18-Y21 PolarHBondContact O-OH 3.37Å; G19-Y21 WeakPolarHBondContact O-CD2 3.39Å; Y21-L23 PolarHBondContact O-N 3.44Å; Y21-I28 CarbonylContact O-C 3.58Å; Y21-I28 WeakPolarHBondContact O-CA 3.44Å; Y21-S29 PolarHBondContact N-O 3.15Å; Y21-S29 PolarHBondContact O-N 2.64Å; Y21-Y32 HydrophobicContact CD1-CG 4.04Å; Y21-Y32 HydrophobicContact CE1-CG 4.36Å; Y21-Y32 HydrophobicContact CG-CG 4.22Å
22Q82Confident88Confident158 Ų15863.2 Ų63.274%0.73833%0.326SS*.EExtended strand (participates in β ladder)trans-75.9118.9174.8-166.8175.117.500110.2
23L75.5Confident88Confident29 Ų2959.2 Ų59.215%0.15230%0.304CS..  trans-76.4165.7173.5-60.2-177.3000110.8Y21 S25 G26 I27 F193Y21-L23 PolarHBondContact O-N 3.44Å; L23-S25 PolarHBondContact O-N 2.97Å; L23-S25 VanDerWaalsContact O-N 3.09Å; L23-G26 PolarHBondContact O-N 2.79Å; L23-I27 WeakPolarHBondContact CB-O 3.41Å; L23-I27 PolarHBondContact N-O 3.31Å; L23-F193 HydrophobicContact CD1-CZ 3.96Å
24K64.8Low88Confident207 Ų20757.3 Ų57.390%0.930%0.295SS*.THydrogen-bonded Turntrans-57-24.4173.7-70.1-175.4179.8176.50113.5G26K24-G26 PolarHBondContact O-N 2.94Å
25S65.7Low88Confident71 Ų7156.3 Ų56.350%0.49729%0.285SS..THydrogen-bonded Turntrans-77.1-3.4174.7540000113.9L23 I27L23-S25 PolarHBondContact O-N 2.97Å; L23-S25 VanDerWaalsContact O-N 3.09Å; S25-I27 PolarHBondContact O-N 3.17Å; S25-I27 WeakPolarHBondContact OG-CG1 3.48Å
26G69.9Low88Confident39 Ų3962.6 Ų62.640%0.40231%0.308SS..SBendtrans82.2-12.2-172.700000114.2L23 K24L23-G26 PolarHBondContact O-N 2.79Å; K24-G26 PolarHBondContact O-N 2.94Å
27I79.8Confident87.8Confident47 Ų4764.2 Ų64.224%0.24132%0.316CS..PPolyproline II helixtrans-67.8136.6177.5-57.5174.3000109.9L23 S25 F193 P198L23-I27 WeakPolarHBondContact CB-O 3.41Å; L23-I27 PolarHBondContact N-O 3.31Å; S25-I27 PolarHBondContact O-N 3.17Å; S25-I27 WeakPolarHBondContact OG-CG1 3.48Å; I27-F193 HydrophobicContact CG2-CE2 3.76Å; I27-F193 HydrophobicContact CG2-CZ 4.3Å; I27-P198 HydrophobicContact CD1-CG 3.81Å
28I86.7Confident87.8Confident109 Ų10961.1 Ų61.156%0.55930%0.303SS*.EExtended strand (participates in β ladder)trans-83.8119.5172.3-58.3174.1000108.6K20 Y21 F193K20-I28 HydrophobicContact CB-CG2 3.89Å; K20-I28 HydrophobicContact CG-CG2 4.22Å; Y21-I28 CarbonylContact O-C 3.58Å; Y21-I28 WeakPolarHBondContact O-CA 3.44Å; I28-F193 WeakPolarHBondContact O-CE2 3.36Å
29S91.4Very high87.8Confident0 Ų064 Ų640%032%0.319CS..EExtended strand (participates in β ladder)trans-100.5139.2176.1-167.30000110.7Y21 I31 R148 F193Y21-S29 PolarHBondContact N-O 3.15Å; Y21-S29 PolarHBondContact O-N 2.64Å; S29-I31 PolarHBondContact O-N 3Å; S29-I31 PolarHBondContact OG-O 3.1Å; S29-I31 VanDerWaalsContact OG-O 3.1Å; S29-R148 PolarHBondContact OG-NH2 3.48Å; S29-F193 WeakPolarHBondContact OG-CE1 3.45Å; S29-F193 VanDerWaalsContact OG-CZ 3.26Å; S29-F193 WeakPolarHBondContact OG-CZ 2.91Å
30P94.9Very high87.9Confident11 Ų1167 Ų677%0.07134%0.335CS..EExtended strand (participates in β ladder)trans-73-8.8174.132-36.2000112.7F18 G19 E189 F193F18-P30 CarbonylContact C-O 3.4Å; F18-P30 WeakPolarHBondContact CA-O 3.44Å; G19-P30 PolarHBondContact N-O 2.91Å; G19-P30 CarbonylContact O-C 3.56Å; G19-P30 WeakPolarHBondContact O-CA 3.41Å; P30-E189 HydrophobicContact CB-CG 3.93Å; P30-E189 HydrophobicContact CG-CG 4.25Å; P30-F193 VanDerWaalsContact CD-CD2 3.47Å; P30-F193 VanDerWaalsContact CD-CG 3.4Å; P30-F193 HydrophobicContact CG-CB 3.75Å; P30-F193 HydrophobicContact CG-CD1 4.4Å; P30-F193 HydrophobicContact CG-CD2 4.39Å; P30-F193 HydrophobicContact CG-CG 3.93Å
31I95.2Very high88.1Confident0 Ų059.8 Ų59.80%031%0.308CS..EExtended strand (participates in β ladder)trans-138.5136.1-172.8-169.7165.4000112.5V16 K17 F18 S29 I33 R148 L169 L173 T190V16-I31 HydrophobicContact CG1-CD1 3.88Å; V16-I31 HydrophobicContact CG1-CG1 4.3Å; K17-I31 CarbonylContact O-C 3.58Å; K17-I31 WeakPolarHBondContact O-CA 3.35Å; F18-I31 HydrophobicContact CE1-CD1 3.92Å; F18-I31 HydrophobicContact CE1-CG1 4.38Å; F18-I31 HydrophobicContact CZ-CD1 4.07Å; S29-I31 PolarHBondContact O-N 3Å; S29-I31 PolarHBondContact OG-O 3.1Å; S29-I31 VanDerWaalsContact OG-O 3.1Å; I31-I33 HydrophobicContact CD1-CD1 4.27Å; I31-I33 HydrophobicContact CG1-CD1 4.25Å; I31-R148 PolarHBondContact O-NH1 3Å; I31-R148 VanDerWaalsContact O-NH1 3.15Å; I31-L169 HydrophobicContact CD1-CD1 3.98Å; I31-L169 HydrophobicContact CG2-CD2 4.19Å; I31-L173 HydrophobicContact CD1-CD2 3.89Å; I31-T190 HydrophobicContact CB-CG2 4.09Å; I31-T190 HydrophobicContact CD1-CG2 4.04Å; I31-T190 HydrophobicContact CG2-CG2 3.59Å
32Y94.8Very high88.4Confident74 Ų7460.8 Ų60.829%0.2932%0.323SS..EExtended strand (participates in β ladder)trans-125.6135.7173.4-174.9-107.9000110.9K17 Y21 D34 R36K17-Y32 HydrophobicContact CD-CD1 4.35Å; K17-Y32 PolarHBondContact N-O 3.38Å; K17-Y32 PolarHBondContact O-N 3.45Å; Y21-Y32 HydrophobicContact CD1-CG 4.04Å; Y21-Y32 HydrophobicContact CE1-CG 4.36Å; Y21-Y32 HydrophobicContact CG-CG 4.22Å; Y32-D34 HydrophobicContact CD1-CB 4.05Å; Y32-D34 HydrophobicContact CE1-CB 3.63Å; Y32-R36 PolarHBondContact OH-NH2 2.88Å
33I95.5Very high89Confident12 Ų1260.4 Ų60.46%0.06232%0.319CS..EExtended strand (participates in β ladder)trans-111.8120.6179.3-56.7-59.7000107.9V15 V16 I31 L35 V118 I146 L169V15-I33 HydrophobicContact CG1-CG2 4.08Å; V15-I33 CarbonylContact O-C 3.54Å; V15-I33 WeakPolarHBondContact O-CA 3.3Å; V16-I33 HydrophobicContact CB-CD1 4.36Å; V16-I33 HydrophobicContact CG1-CD1 4.19Å; V16-I33 HydrophobicContact CG2-CD1 4.01Å; I31-I33 HydrophobicContact CD1-CD1 4.27Å; I31-I33 HydrophobicContact CG1-CD1 4.25Å; I33-L35 HydrophobicContact CG2-CD1 4.44Å; I33-L35 HydrophobicContact CG2-CG 4.18Å; I33-V118 HydrophobicContact CB-CG2 4.23Å; I33-V118 HydrophobicContact CG2-CG2 3.63Å; I33-I146 HydrophobicContact CG2-CD1 3.58Å; I33-L169 HydrophobicContact CD1-CD1 4.07Å; I33-L169 HydrophobicContact CG1-CD1 4.39Å
34D95Very high90Very high18 Ų1859.3 Ų59.310%0.09631%0.312CS..  trans-125.781.3-175.8-164.59.5000111.3V15 K17 Y32 R36 I37V15-D34 PolarHBondContact O-N 3.45Å; K17-D34 IonicContact NZ-OD2 2.72Å; K17-D34 PolarHBondContact NZ-OD2 3.34Å; Y32-D34 HydrophobicContact CD1-CB 4.05Å; Y32-D34 HydrophobicContact CE1-CB 3.63Å; D34-R36 PolarHBondContact O-N 3.42Å; D34-R36 IonicContact OD1-CZ 2.72Å; D34-R36 IonicContact OD1-NE 3.82Å; D34-R36 PolarHBondContact OD1-NE 3.32Å; D34-R36 IonicContact OD1-NH2 3.47Å; D34-R36 PolarHBondContact OD1-NH2 3.44Å; D34-R36 IonicContact OD2-NH2 2.8Å; D34-I37 WeakPolarHBondContact O-CG1 3.49Å
35L95.8Very high91.5Very high2 Ų250.7 Ų50.71%0.0128%0.276CS..G310 helixtrans-75.7-5.5-179.5-72.8166.8000113.4F10 V15 I33 I37 L38 D117 V118 I145 I146F10-L35 HydrophobicContact CD1-CD2 4.23Å; F10-L35 HydrophobicContact CE1-CD2 3.77Å; F10-L35 HydrophobicContact CZ-CD2 3.97Å; V15-L35 HydrophobicContact CG1-CD2 3.51Å; V15-L35 HydrophobicContact CG1-CG 3.93Å; V15-L35 HydrophobicContact CG2-CD2 4.38Å; I33-L35 HydrophobicContact CG2-CD1 4.44Å; I33-L35 HydrophobicContact CG2-CG 4.18Å; L35-I37 PolarHBondContact O-N 3.39Å; L35-L38 HydrophobicContact CB-CD1 4.18Å; L35-L38 HydrophobicContact CD2-CD1 3.58Å; L35-L38 HydrophobicContact CD2-CG 4.12Å; L35-L38 HydrophobicContact CG-CD1 4.46Å; L35-L38 VanDerWaalsContact O-CB 3.29Å; L35-L38 WeakPolarHBondContact O-CB 3.37Å; L35-L38 VanDerWaalsContact O-CG 3.26Å; L35-L38 WeakPolarHBondContact O-CG 3.44Å; L35-L38 PolarHBondContact O-N 3.15Å; L35-L38 VanDerWaalsContact O-N 3.12Å; L35-D117 HydrophobicContact CB-CB 4.03Å; L35-D117 HydrophobicContact CD1-CB 3.73Å; L35-D117 WeakPolarHBondContact CD1-O 3.33Å; L35-V118 HydrophobicContact CD1-CG2 3.58Å; L35-V118 HydrophobicContact CG-CG2 4.26Å; L35-I145 HydrophobicContact CD1-CB 3.81Å; L35-I145 HydrophobicContact CD1-CD1 4.04Å; L35-I145 HydrophobicContact CD1-CG1 4.47Å; L35-I145 HydrophobicContact CD1-CG2 3.95Å; L35-I145 HydrophobicContact CD2-CG2 4.32Å; L35-I146 HydrophobicContact CD1-CD1 4.15Å; L35-I146 HydrophobicContact CD1-CG1 4.37Å; L35-I146 HydrophobicContact CD2-CD1 4.37Å; L35-I146 HydrophobicContact CG-CD1 4.48Å
36R95Very high93Very high132 Ų13249.6 Ų49.650%0.49826%0.264SS..G310 helixtrans-61.2-27.3176.9-71.7175.3-67.1-175.7-2.9113Y32 D34 L38 I39 A70Y32-R36 PolarHBondContact OH-NH2 2.88Å; D34-R36 PolarHBondContact O-N 3.42Å; D34-R36 IonicContact OD1-CZ 2.72Å; D34-R36 IonicContact OD1-NE 3.82Å; D34-R36 PolarHBondContact OD1-NE 3.32Å; D34-R36 IonicContact OD1-NH2 3.47Å; D34-R36 PolarHBondContact OD1-NH2 3.44Å; D34-R36 IonicContact OD2-NH2 2.8Å; R36-L38 PolarHBondContact O-N 3.46Å; R36-I39 WeakPolarHBondContact O-CG1 3.23Å; R36-A70 HydrophobicContact CG-CB 3.65Å
37I94.8Very high94.2Very high41 Ų4148.9 Ų48.921%0.2125%0.251CS..G310 helixtrans-71-14.2-179.870.8-174.6000113M13 G14 V15 D34 L35 I39 S40M13-I37 HydrophobicContact CB-CD1 4.34Å; M13-I37 WeakPolarHBondContact O-CD1 3.42Å; G14-I37 VanDerWaalsContact C-CD1 3.48Å; V15-I37 HydrophobicContact CB-CD1 4.36Å; V15-I37 HydrophobicContact CG2-CD1 3.66Å; V15-I37 HydrophobicContact CG2-CG1 3.8Å; D34-I37 WeakPolarHBondContact O-CG1 3.49Å; L35-I37 PolarHBondContact O-N 3.39Å; I37-I39 PolarHBondContact O-N 2.85Å; I37-I39 VanDerWaalsContact O-N 3.14Å; I37-S40 VanDerWaalsContact O-CB 3.27Å; I37-S40 WeakPolarHBondContact O-CB 3.28Å; I37-S40 PolarHBondContact O-N 3.42Å; I37-S40 PolarHBondContact O-OG 3.03Å
38L94.5Very high95Very high2 Ų246.6 Ų46.61%0.0124%0.239CC..G310 helixtrans-56.4-30.6179.5-72.3-178.8000113.1F10 M13 V15 L35 R36 S40 S41 F44 I48 I74F10-L38 HydrophobicContact CD1-CD2 4.27Å; F10-L38 HydrophobicContact CE1-CD1 4.35Å; F10-L38 HydrophobicContact CE1-CD2 3.97Å; M13-L38 HydrophobicContact CE-CD2 4.48Å; V15-L38 HydrophobicContact CG2-CD2 4.33Å; L35-L38 HydrophobicContact CB-CD1 4.18Å; L35-L38 HydrophobicContact CD2-CD1 3.58Å; L35-L38 HydrophobicContact CD2-CG 4.12Å; L35-L38 HydrophobicContact CG-CD1 4.46Å; L35-L38 VanDerWaalsContact O-CB 3.29Å; L35-L38 WeakPolarHBondContact O-CB 3.37Å; L35-L38 VanDerWaalsContact O-CG 3.26Å; L35-L38 WeakPolarHBondContact O-CG 3.44Å; L35-L38 PolarHBondContact O-N 3.15Å; L35-L38 VanDerWaalsContact O-N 3.12Å; R36-L38 PolarHBondContact O-N 3.46Å; L38-S40 PolarHBondContact O-N 3.43Å; L38-S41 CarbonylContact O-C 3.46Å; L38-S41 PolarHBondContact O-N 3.31Å; L38-F44 HydrophobicContact CD2-CD1 3.53Å; L38-F44 HydrophobicContact CD2-CE1 3.55Å; L38-I48 HydrophobicContact CD1-CG1 4.47Å; L38-I74 HydrophobicContact CD1-CD1 3.58Å
39I95.6Very high95.5Very high100 Ų10041.4 Ų41.451%0.51321%0.212SC..G310 helixtrans-58.7-21.9175.970-174.9000113R36 I37 S41 M45 P73R36-I39 WeakPolarHBondContact O-CG1 3.23Å; I37-I39 PolarHBondContact O-N 2.85Å; I37-I39 VanDerWaalsContact O-N 3.14Å; I39-S41 VanDerWaalsContact C-N 3.28Å; I39-M45 HydrophobicContact CG2-SD 4.28Å; I39-P73 HydrophobicContact CG2-CB 3.8Å; I39-P73 HydrophobicContact CG2-CG 3.54Å
40S96.5Very high95.7Very high99 Ų9946.4 Ų46.469%0.69224%0.236SC*.G310 helixtrans-80.9-6.7177.9-49.40000113I37 L38I37-S40 VanDerWaalsContact O-CB 3.27Å; I37-S40 WeakPolarHBondContact O-CB 3.28Å; I37-S40 PolarHBondContact O-N 3.42Å; I37-S40 PolarHBondContact O-OG 3.03Å; L38-S40 PolarHBondContact O-N 3.43Å
41S95.8Very high95.8Very high35 Ų3546.9 Ų46.925%0.24524%0.239CC..  trans-129.182.2175.3-173.30000110.2M13 L38 I39 K43 F44 M45M13-S41 VanDerWaalsContact CE-CB 3.47Å; L38-S41 CarbonylContact O-C 3.46Å; L38-S41 PolarHBondContact O-N 3.31Å; I39-S41 VanDerWaalsContact C-N 3.28Å; S41-K43 VanDerWaalsContact C-N 3.28Å; S41-K43 PolarHBondContact O-N 3.03Å; S41-F44 PolarHBondContact O-N 2.84Å; S41-F44 VanDerWaalsContact OG-CB 3.25Å; S41-F44 WeakPolarHBondContact OG-CB 3.29Å; S41-M45 WeakPolarHBondContact O-CB 3.37Å; S41-M45 PolarHBondContact O-N 3.03Å
42P96.4Very high95.9Very high91 Ų9146.9 Ų46.959%0.59124%0.239SC*.Hα-helixtrans-54.7-41.1-175.8-28.535.7000113.6M45 D46P42-M45 PolarHBondContact O-N 2.99Å; P42-D46 WeakPolarHBondContact O-CB 3.26Å; P42-D46 PolarHBondContact O-N 3.03Å
43K95.8Very high95.9Very high150 Ų15044.7 Ų44.765%0.65223%0.232SC*.Hα-helixtrans-62.1-44.7176.9-176.8-178.6177.7-178.20111.9S41 D46 E47S41-K43 VanDerWaalsContact C-N 3.28Å; S41-K43 PolarHBondContact O-N 3.03Å; K43-D46 WeakPolarHBondContact O-CB 3.48Å; K43-D46 PolarHBondContact O-N 2.89Å; K43-E47 WeakPolarHBondContact CE-OE1 3.48Å; K43-E47 VanDerWaalsContact O-CG 3.3Å; K43-E47 WeakPolarHBondContact O-CG 3.38Å; K43-E47 PolarHBondContact O-N 2.9Å; K43-E47 VanDerWaalsContact O-N 3.08Å
44F96Very high95.8Very high5 Ų548.1 Ų48.12%0.02226%0.263CS..Hα-helixtrans-73.4-36.5-179.2-174.4-125000111.8I6 T9 F10 M13 L38 S41 D46 E47 I48I6-F44 HydrophobicContact CG1-CE2 4.48Å; I6-F44 HydrophobicContact CG2-CE2 4.35Å; I6-F44 HydrophobicContact CG2-CZ 4.05Å; T9-F44 VanDerWaalsContact CB-CZ 3.46Å; T9-F44 HydrophobicContact CG2-CD1 3.79Å; T9-F44 HydrophobicContact CG2-CD2 3.69Å; T9-F44 HydrophobicContact CG2-CE1 3.65Å; T9-F44 HydrophobicContact CG2-CE2 3.57Å; T9-F44 HydrophobicContact CG2-CG 3.8Å; T9-F44 HydrophobicContact CG2-CZ 3.55Å; F10-F44 AromaticContact CD1-CE1 3.49Å; F10-F44 HydrophobicContact CD1-CE1 3.49Å; F10-F44 VanDerWaalsContact CD1-CE1 3.49Å; F10-F44 AromaticContact CD1-CZ 3.66Å; F10-F44 HydrophobicContact CD1-CZ 3.66Å; F10-F44 AromaticContact CE1-CE1 3.58Å; F10-F44 HydrophobicContact CE1-CE1 3.58Å; F10-F44 AromaticContact CE1-CZ 3.69Å; F10-F44 HydrophobicContact CE1-CZ 3.69Å; F10-F44 HydrophobicContact CG-CZ 4.46Å; M13-F44 HydrophobicContact CE-CD1 4.48Å; M13-F44 HydrophobicContact SD-CD1 3.44Å; M13-F44 WeakPolarHBondContact SD-CD1 3.44Å; M13-F44 HydrophobicContact SD-CE1 3.92Å; M13-F44 HydrophobicContact SD-CG 4.25Å; L38-F44 HydrophobicContact CD2-CD1 3.53Å; L38-F44 HydrophobicContact CD2-CE1 3.55Å; S41-F44 PolarHBondContact O-N 2.84Å; S41-F44 VanDerWaalsContact OG-CB 3.25Å; S41-F44 WeakPolarHBondContact OG-CB 3.29Å; F44-D46 VanDerWaalsContact C-N 3.27Å; F44-D46 PolarHBondContact O-N 3.1Å; F44-E47 HydrophobicContact CD2-CB 4.4Å; F44-E47 WeakPolarHBondContact O-CB 3.44Å; F44-E47 PolarHBondContact O-N 3.25Å; F44-E47 VanDerWaalsContact O-N 3.15Å; F44-I48 HydrophobicContact CE1-CD1 4.38Å; F44-I48 HydrophobicContact CE1-CG1 4.36Å; F44-I48 HydrophobicContact CE2-CD1 4.08Å; F44-I48 HydrophobicContact CE2-CG1 4.48Å; F44-I48 HydrophobicContact CZ-CD1 3.88Å; F44-I48 HydrophobicContact CZ-CG1 4.29Å; F44-I48 WeakPolarHBondContact O-CG1 3.44Å; F44-I48 PolarHBondContact O-N 2.88Å
45M96.7Very high95.8Very high26 Ų2649.8 Ų49.813%0.12827%0.271CS..Hα-helixtrans-58.3-40.5171.7-173.6172.162.700111.7I39 S41 P42 I48 A49 P73 I74I39-M45 HydrophobicContact CG2-SD 4.28Å; S41-M45 WeakPolarHBondContact O-CB 3.37Å; S41-M45 PolarHBondContact O-N 3.03Å; P42-M45 PolarHBondContact O-N 2.99Å; M45-I48 PolarHBondContact O-N 3.41Å; M45-A49 PolarHBondContact O-N 3.45Å; M45-P73 HydrophobicContact SD-CB 3.61Å; M45-I74 HydrophobicContact CG-CG1 3.92Å; M45-I74 HydrophobicContact SD-CG1 4.46Å
46D96.2Very high95.7Very high48 Ų4850.2 Ų50.226%0.25727%0.274SS..Hα-helixtrans-61.5-45.6173-164.973000112.2P42 K43 F44 I48 A49 Q50 H81P42-D46 WeakPolarHBondContact O-CB 3.26Å; P42-D46 PolarHBondContact O-N 3.03Å; K43-D46 WeakPolarHBondContact O-CB 3.48Å; K43-D46 PolarHBondContact O-N 2.89Å; F44-D46 VanDerWaalsContact C-N 3.27Å; F44-D46 PolarHBondContact O-N 3.1Å; D46-I48 VanDerWaalsContact C-N 3.33Å; D46-I48 PolarHBondContact O-N 3.06Å; D46-A49 WeakPolarHBondContact O-CB 3.42Å; D46-A49 PolarHBondContact O-N 3.19Å; D46-A49 VanDerWaalsContact O-N 3.17Å; D46-Q50 WeakPolarHBondContact O-CG 3.33Å; D46-Q50 PolarHBondContact O-N 3.3Å; D46-Q50 PolarHBondContact OD2-NE2 3.37Å; D46-H81 IonicContact OD1-CD2 3.58Å; D46-H81 IonicContact OD1-CE1 3.48Å; D46-H81 PolarHBondContact OD1-CE1 3.33Å; D46-H81 IonicContact OD1-NE2 3.61Å; D46-H81 PolarHBondContact OD1-NE2 3.04Å; D46-H81 IonicContact OD2-NE2 2.8Å
47E95.3Very high95.2Very high24 Ų2446.3 Ų46.311%0.11227%0.265CS..Hα-helixtrans-60.3-39.6176.2-71.2172.7-178.700112.1M1 R5 K43 F44 S51M1-E47 HydrophobicContact CE-CB 3.56Å; M1-E47 VanDerWaalsContact CE-CD 3.46Å; M1-E47 HydrophobicContact CE-CG 3.46Å; M1-E47 VanDerWaalsContact CE-CG 3.46Å; M1-E47 WeakPolarHBondContact CE-OE2 3.47Å; M1-E47 HydrophobicContact SD-CB 4.44Å; R5-E47 IonicContact CZ-OE2 2.81Å; R5-E47 IonicContact NE-OE2 3.86Å; R5-E47 IonicContact NH2-OE1 3.47Å; R5-E47 PolarHBondContact NH2-OE1 3.16Å; R5-E47 IonicContact NH2-OE2 3.77Å; R5-E47 PolarHBondContact NH2-OE2 2.86Å; K43-E47 WeakPolarHBondContact CE-OE1 3.48Å; K43-E47 VanDerWaalsContact O-CG 3.3Å; K43-E47 WeakPolarHBondContact O-CG 3.38Å; K43-E47 PolarHBondContact O-N 2.9Å; K43-E47 VanDerWaalsContact O-N 3.08Å; F44-E47 HydrophobicContact CD2-CB 4.4Å; F44-E47 WeakPolarHBondContact O-CB 3.44Å; F44-E47 PolarHBondContact O-N 3.25Å; F44-E47 VanDerWaalsContact O-N 3.15Å; E47-S51 PolarHBondContact O-N 2.91Å; E47-S51 VanDerWaalsContact O-N 3.11Å; E47-S51 PolarHBondContact O-OG 3.18Å
48I97.1Very high94.6Very high0 Ų052 Ų520%030%0.296CS..Hα-helixtrans-64.8-47.6172.9-63.3-54.4000110.6I6 F10 L38 F44 M45 D46 Q50 S51 L52 I74 I145 L166I6-I48 HydrophobicContact CD1-CD1 4.33Å; I6-I48 HydrophobicContact CG1-CD1 4.4Å; I6-I48 HydrophobicContact CG2-CD1 3.43Å; I6-I48 VanDerWaalsContact CG2-CD1 3.43Å; F10-I48 HydrophobicContact CE1-CD1 3.7Å; F10-I48 HydrophobicContact CE1-CG1 4.14Å; F10-I48 HydrophobicContact CZ-CD1 3.54Å; F10-I48 HydrophobicContact CZ-CG1 4.3Å; L38-I48 HydrophobicContact CD1-CG1 4.47Å; F44-I48 HydrophobicContact CE1-CD1 4.38Å; F44-I48 HydrophobicContact CE1-CG1 4.36Å; F44-I48 HydrophobicContact CE2-CD1 4.08Å; F44-I48 HydrophobicContact CE2-CG1 4.48Å; F44-I48 HydrophobicContact CZ-CD1 3.88Å; F44-I48 HydrophobicContact CZ-CG1 4.29Å; F44-I48 WeakPolarHBondContact O-CG1 3.44Å; F44-I48 PolarHBondContact O-N 2.88Å; M45-I48 PolarHBondContact O-N 3.41Å; D46-I48 VanDerWaalsContact C-N 3.33Å; D46-I48 PolarHBondContact O-N 3.06Å; I48-Q50 VanDerWaalsContact C-N 3.32Å; I48-Q50 PolarHBondContact O-N 3.41Å; I48-S51 WeakPolarHBondContact O-CA 3.5Å; I48-S51 WeakPolarHBondContact O-CB 3.42Å; I48-S51 PolarHBondContact O-N 3.4Å; I48-L52 HydrophobicContact CG2-CD1 4.24Å; I48-L52 HydrophobicContact CG2-CG 4.28Å; I48-L52 WeakPolarHBondContact O-CG 3.42Å; I48-L52 PolarHBondContact O-N 3.09Å; I48-I74 HydrophobicContact CG2-CD1 4.32Å; I48-I74 HydrophobicContact CG2-CG2 4.39Å; I48-I145 HydrophobicContact CG2-CD1 3.97Å; I48-I145 HydrophobicContact CG2-CG1 4.33Å; I48-I145 HydrophobicContact CG2-CG2 4.48Å; I48-L166 HydrophobicContact CD1-CD2 4.4Å
49A97.2Very high94Very high0 Ų059 Ų590%033%0.333CS..Hα-helixtrans-57.5-44.2179.100000111.9M45 D46 S51 L52 I53 C77 I78M45-A49 PolarHBondContact O-N 3.45Å; D46-A49 WeakPolarHBondContact O-CB 3.42Å; D46-A49 PolarHBondContact O-N 3.19Å; D46-A49 VanDerWaalsContact O-N 3.17Å; A49-S51 VanDerWaalsContact C-N 3.31Å; A49-S51 PolarHBondContact O-N 3.39Å; A49-L52 PolarHBondContact O-N 3.4Å; A49-I53 WeakPolarHBondContact O-CB 3.49Å; A49-I53 VanDerWaalsContact O-CG1 3.24Å; A49-I53 WeakPolarHBondContact O-CG1 3.24Å; A49-I53 PolarHBondContact O-N 3.32Å; A49-C77 HydrophobicContact CB-CB 3.51Å; A49-I78 HydrophobicContact CB-CG1 3.95Å
50Q96.3Very high93.7Very high105 Ų10556.6 Ų56.649%0.49133%0.333SS..Hα-helixtrans-60.9-37.9173.8-68.1-17836.300112.9D46 I48 I53 A54D46-Q50 WeakPolarHBondContact O-CG 3.33Å; D46-Q50 PolarHBondContact O-N 3.3Å; D46-Q50 PolarHBondContact OD2-NE2 3.37Å; I48-Q50 VanDerWaalsContact C-N 3.32Å; I48-Q50 PolarHBondContact O-N 3.41Å; Q50-I53 WeakPolarHBondContact O-CB 3.35Å; Q50-I53 PolarHBondContact O-N 3.37Å; Q50-A54 PolarHBondContact O-N 3.46Å
51S96.4Very high93.6Very high21 Ų2153.2 Ų53.215%0.14731%0.307CS..Hα-helixtrans-67.6-39.1177-540000111.8I6 E47 I48 A49 A54I6-S51 WeakPolarHBondContact CD1-OG 3.25Å; E47-S51 PolarHBondContact O-N 2.91Å; E47-S51 VanDerWaalsContact O-N 3.11Å; E47-S51 PolarHBondContact O-OG 3.18Å; I48-S51 WeakPolarHBondContact O-CA 3.5Å; I48-S51 WeakPolarHBondContact O-CB 3.42Å; I48-S51 PolarHBondContact O-N 3.4Å; A49-S51 VanDerWaalsContact C-N 3.31Å; A49-S51 PolarHBondContact O-N 3.39Å; S51-A54 PolarHBondContact O-N 2.87Å
52L96.7Very high93.7Very high0 Ų054.9 Ų54.90%031%0.313CS..Hα-helixtrans-70.4-34174.7-61.2-176.9000112.4I48 A49 A54 L55 L56 I74 I78 I115 I143 I145 L166I48-L52 HydrophobicContact CG2-CD1 4.24Å; I48-L52 HydrophobicContact CG2-CG 4.28Å; I48-L52 WeakPolarHBondContact O-CG 3.42Å; I48-L52 PolarHBondContact O-N 3.09Å; A49-L52 PolarHBondContact O-N 3.4Å; L52-A54 PolarHBondContact O-N 3.36Å; L52-L55 HydrophobicContact CD2-CD1 4.21Å; L52-L55 WeakPolarHBondContact O-CA 3.43Å; L52-L55 WeakPolarHBondContact O-CB 3.46Å; L52-L55 PolarHBondContact O-N 2.95Å; L52-L56 PolarHBondContact O-N 3.04Å; L52-I74 HydrophobicContact CD1-CG2 3.57Å; L52-I78 HydrophobicContact CB-CD1 3.88Å; L52-I78 HydrophobicContact CD1-CD1 3.96Å; L52-I115 HydrophobicContact CD1-CG2 4.38Å; L52-I143 HydrophobicContact CB-CG2 4.14Å; L52-I143 HydrophobicContact CD2-CG2 3.88Å; L52-I143 HydrophobicContact CG-CG2 4.42Å; L52-I145 HydrophobicContact CD1-CD1 4.35Å; L52-I145 HydrophobicContact CD1-CG1 3.87Å; L52-I145 HydrophobicContact CD2-CG1 4.21Å; L52-L166 HydrophobicContact CD2-CB 3.82Å; L52-L166 HydrophobicContact CD2-CD2 4.16Å; L52-L166 HydrophobicContact CD2-CG 4.48Å
53I96Very high93.8Very high27 Ų2750.6 Ų50.614%0.13829%0.285CS..Hα-helixtrans-57.1-37.8174.3-79165000111.5A49 Q50 L55 L56 I78 H81 K82A49-I53 WeakPolarHBondContact O-CB 3.49Å; A49-I53 VanDerWaalsContact O-CG1 3.24Å; A49-I53 WeakPolarHBondContact O-CG1 3.24Å; A49-I53 PolarHBondContact O-N 3.32Å; Q50-I53 WeakPolarHBondContact O-CB 3.35Å; Q50-I53 PolarHBondContact O-N 3.37Å; I53-L55 PolarHBondContact O-N 3.31Å; I53-L56 HydrophobicContact CG1-CD1 4.27Å; I53-L56 WeakPolarHBondContact O-CB 3.32Å; I53-L56 PolarHBondContact O-N 3.34Å; I53-I78 HydrophobicContact CD1-CG2 4.43Å; I53-I78 HydrophobicContact CG1-CB 4.4Å; I53-I78 HydrophobicContact CG1-CG1 4.24Å; I53-I78 HydrophobicContact CG1-CG2 3.81Å; I53-H81 HydrophobicContact CD1-CB 3.47Å; I53-H81 VanDerWaalsContact CD1-CB 3.47Å; I53-K82 HydrophobicContact CD1-CD 4.27Å; I53-K82 HydrophobicContact CD1-CG 3.91Å; I53-K82 HydrophobicContact CG1-CD 4.2Å; I53-K82 HydrophobicContact CG1-CG 3.83Å; I53-K82 HydrophobicContact CG2-CD 3.6Å; I53-K82 HydrophobicContact CG2-CG 4.18Å
54A93.8Very high93.9Very high85 Ų8543.4 Ų43.470%0.70225%0.254SS*.THydrogen-bonded Turntrans-67.5-17.2176.900000113.3Q50 S51 L52Q50-A54 PolarHBondContact O-N 3.46Å; S51-A54 PolarHBondContact O-N 2.87Å; L52-A54 PolarHBondContact O-N 3.36Å
55L94Very high94Very high52 Ų5243.2 Ų43.227%0.27225%0.253SS..THydrogen-bonded Turntrans-92.9-9.8176.9-55.3177.9000113L52 I53 I143 T164 L166L52-L55 HydrophobicContact CD2-CD1 4.21Å; L52-L55 WeakPolarHBondContact O-CA 3.43Å; L52-L55 WeakPolarHBondContact O-CB 3.46Å; L52-L55 PolarHBondContact O-N 2.95Å; I53-L55 PolarHBondContact O-N 3.31Å; L55-I143 HydrophobicContact CB-CD1 4.09Å; L55-I143 HydrophobicContact CB-CG2 4.31Å; L55-I143 HydrophobicContact CD1-CG2 4.3Å; L55-I143 WeakPolarHBondContact O-CD1 3.29Å; L55-T164 HydrophobicContact CB-CG2 4.09Å; L55-T164 HydrophobicContact CD1-CG2 4.22Å; L55-T164 HydrophobicContact CD2-CG2 4.06Å; L55-T164 HydrophobicContact CG-CG2 4.35Å; L55-L166 HydrophobicContact CD1-CB 4.2Å; L55-L166 HydrophobicContact CD1-CD1 4.34Å
56L93.5Very high94Very high12 Ų1242 Ų426%0.06325%0.247CC..SBendtrans-67.3143.9178.6-68.4173.2000110.8L52 I53 I61 I78 K82 V113 I143L52-L56 PolarHBondContact O-N 3.04Å; I53-L56 HydrophobicContact CG1-CD1 4.27Å; I53-L56 WeakPolarHBondContact O-CB 3.32Å; I53-L56 PolarHBondContact O-N 3.34Å; L56-I61 HydrophobicContact CB-CD1 3.99Å; L56-I61 HydrophobicContact CD2-CD1 4.09Å; L56-I61 HydrophobicContact CG-CD1 4.44Å; L56-I78 HydrophobicContact CD1-CG2 3.91Å; L56-K82 HydrophobicContact CD1-CG 4.34Å; L56-V113 HydrophobicContact CD2-CG1 3.97Å; L56-I143 HydrophobicContact CD2-CG1 3.99Å
57P85.5Confident93.9Very high49 Ų4940 Ų4032%0.31824%0.236SC..  trans-51.3143.2167.4-26.633000112.4N59 I61 H141P57-N59 VanDerWaalsContact C-N 3.27Å; P57-N59 PolarHBondContact O-N 2.84Å; P57-I61 HydrophobicContact CB-CD1 4.41Å; P57-I61 HydrophobicContact CG-CD1 4.43Å; P57-H141 WeakPolarHBondContact CG-ND1 3.13Å
58N81.5Confident93.7Very high160 Ų16039.3 Ų39.386%0.85624%0.235SC*.SBendtrans-60.1-32.5-174.6-73.6-22.4000113.8
59N81Confident93.4Very high150 Ų15047 Ų4780%0.80227%0.265SS*.SBendtrans-148.6164.4-177.3-73.9-35.2000111.7P57P57-N59 VanDerWaalsContact C-N 3.27Å; P57-N59 PolarHBondContact O-N 2.84Å
60G89.1Confident93.2Very high49 Ų4947.9 Ų47.951%0.50527%0.271SS..  trans87.122.7167.800000115.3N111G60-N111 VanDerWaalsContact O-CB 3.29Å; G60-N111 WeakPolarHBondContact O-CB 3.45Å; G60-N111 PolarHBondContact O-ND2 3.41Å
61I95.7Very high93.2Very high28 Ų2842.9 Ų42.914%0.14425%0.249CC..  trans-101.6115.1176-52.6169.9000108.1L56 P57 L63 I64 I84 V113L56-I61 HydrophobicContact CB-CD1 3.99Å; L56-I61 HydrophobicContact CD2-CD1 4.09Å; L56-I61 HydrophobicContact CG-CD1 4.44Å; P57-I61 HydrophobicContact CB-CD1 4.41Å; P57-I61 HydrophobicContact CG-CD1 4.43Å; I61-L63 WeakPolarHBondContact CG2-O 3.28Å; I61-I64 HydrophobicContact CG2-CG1 4.44Å; I61-I84 HydrophobicContact CB-CD1 4.34Å; I61-I84 HydrophobicContact CG2-CD1 4.2Å; I61-I84 HydrophobicContact CG2-CG2 4.22Å; I61-V113 HydrophobicContact CD1-CG2 3.93Å; I61-V113 HydrophobicContact CG1-CG2 3.89Å; I61-V113 HydrophobicContact CG2-CB 4.36Å; I61-V113 HydrophobicContact CG2-CG2 3.93Å
62D97.6Very high93.2Very high70 Ų7043 Ų4337%0.37425%0.247SC..  trans-94.3-31.1177.5-60.1-58000111.9P85 Q110 N111D62-P85 WeakPolarHBondContact O-CD 3.43Å; D62-Q110 HydrophobicContact CB-CB 3.82Å; D62-Q110 HydrophobicContact CB-CG 3.95Å; D62-Q110 WeakPolarHBondContact OD2-CA 3.35Å; D62-N111 PolarHBondContact N-O 3.29Å; D62-N111 PolarHBondContact OD2-N 3.37Å
63L98.1Very high93.3Very high1 Ų144.9 Ų44.91%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-139.6152.3-173-61.5174.9000111.9I61 P85 V87 W106 Q110 N111 C112 V113 I137I61-L63 WeakPolarHBondContact CG2-O 3.28Å; L63-P85 CarbonylContact C-O 3.58Å; L63-P85 WeakPolarHBondContact CA-O 3.16Å; L63-P85 HydrophobicContact CD2-CB 3.97Å; L63-V87 HydrophobicContact CD1-CG1 4.18Å; L63-V87 HydrophobicContact CD2-CG1 4.17Å; L63-W106 HydrophobicContact CD1-CB 3.79Å; L63-Q110 HydrophobicContact CD1-CB 3.9Å; L63-Q110 HydrophobicContact CG-CB 4.22Å; L63-N111 PolarHBondContact N-O 3.02Å; L63-C112 HydrophobicContact CB-CB 3.88Å; L63-C112 VanDerWaalsContact O-CA 3.29Å; L63-C112 WeakPolarHBondContact O-CA 3.25Å; L63-V113 PolarHBondContact O-N 3.3Å; L63-I137 HydrophobicContact CD1-CD1 4.14Å; L63-I137 HydrophobicContact CD1-CG1 4.49Å; L63-I137 HydrophobicContact CD1-CG2 4.07Å
64I98Very high93.3Very high0 Ų043.7 Ų43.70%025%0.253CS..EExtended strand (participates in β ladder)trans-118.5137.2167.6-64.9177.3000109.2I61 A75 I78 I84 P85 M86 V87 V113 I115I61-I64 HydrophobicContact CG2-CG1 4.44Å; I64-A75 HydrophobicContact CG2-CB 4.17Å; I64-I78 HydrophobicContact CD1-CB 4.25Å; I64-I78 HydrophobicContact CD1-CG2 3.46Å; I64-I78 VanDerWaalsContact CD1-CG2 3.46Å; I64-I84 HydrophobicContact CD1-CB 4.01Å; I64-I84 HydrophobicContact CD1-CD1 4.2Å; I64-I84 HydrophobicContact CD1-CG2 4.11Å; I64-I84 HydrophobicContact CG1-CB 4.3Å; I64-I84 HydrophobicContact CG1-CG2 3.84Å; I64-P85 PolarHBondContact N-O 3.26Å; I64-M86 CarbonylContact O-C 3.48Å; I64-M86 VanDerWaalsContact O-CA 3.28Å; I64-M86 WeakPolarHBondContact O-CA 3.44Å; I64-M86 WeakPolarHBondContact O-CG 3.24Å; I64-V87 PolarHBondContact O-N 2.97Å; I64-V113 WeakPolarHBondContact CA-O 3.41Å; I64-I115 HydrophobicContact CG2-CD1 4.32Å; I64-I115 HydrophobicContact CG2-CG1 3.51Å
65C97.9Very high93.5Very high0 Ų039.6 Ų39.60%022%0.22CC..EExtended strand (participates in β ladder)trans-124.9111.1174.9-1720000110.8V87 C112 V113 I114 I115 L132C65-V87 WeakPolarHBondContact CA-O 3.31Å; C65-V87 HydrophobicContact CB-CG2 3.82Å; C65-C112 VanDerWaalsContact CB-SG 3.54Å; C65-V113 PolarHBondContact N-O 3.11Å; C65-I114 CarbonylContact O-C 3.56Å; C65-I114 VanDerWaalsContact O-CA 3.29Å; C65-I114 WeakPolarHBondContact O-CA 3.26Å; C65-I115 PolarHBondContact O-N 2.8Å; C65-L132 HydrophobicContact CB-CD1 3.97Å
66G97Very high93.7Very high0 Ų039.1 Ų39.10%022%0.223CC..EExtended strand (participates in β ladder)trans-79.7136171.500000111.2L72 I115G66-L72 WeakPolarHBondContact O-CD2 3.28Å; G66-I115 WeakPolarHBondContact CA-O 3.48Å
67V94.3Very high93.9Very high6 Ų639.8 Ų39.84%0.03623%0.228CC..PPolyproline II helixtrans-74.6128.9172.9-174.90000110.3A71 I114 I115 E116 V125 V128V67-A71 WeakPolarHBondContact O-CB 3.27Å; V67-A71 PolarHBondContact O-N 2.9Å; V67-I114 HydrophobicContact CG2-CG2 3.56Å; V67-I115 PolarHBondContact N-O 3.36Å; V67-E116 WeakPolarHBondContact CB-OE1 3.47Å; V67-E116 WeakPolarHBondContact CB-OE2 3.49Å; V67-E116 VanDerWaalsContact CG1-OE2 3.25Å; V67-E116 WeakPolarHBondContact CG1-OE2 3.38Å; V67-E116 HydrophobicContact CG2-CB 4.05Å; V67-E116 HydrophobicContact CG2-CG 4.46Å; V67-E116 WeakPolarHBondContact CG2-OE2 3.34Å; V67-V125 HydrophobicContact CG2-CG2 4.41Å; V67-V128 HydrophobicContact CG1-CG2 4.12Å; V67-V128 HydrophobicContact CG2-CG2 4.12Å
68P91.2Very high94.5Very high11 Ų1137.4 Ų37.47%0.07121%0.213CC..THydrogen-bonded Turntrans-71.7139.7-177.3-17.426.6000115L72 C89 K91P68-L72 HydrophobicContact CB-CD1 4.11Å; P68-L72 HydrophobicContact CG-CD2 4.47Å; P68-C89 WeakPolarHBondContact CD-O 3.35Å; P68-C89 WeakPolarHBondContact CG-O 3.38Å; P68-K91 VanDerWaalsContact O-CE 3.26Å; P68-K91 WeakPolarHBondContact O-CE 3.47Å; P68-K91 PolarHBondContact O-NZ 3.26Å
69Y90.3Very high95.3Very high162 Ų16230.9 Ų30.964%0.63518%0.18SC*.THydrogen-bonded Turncis-110.4-20.60.9-63.9-74.8000113.1A71 L72 P73Y69-A71 VanDerWaalsContact C-N 3.35Å; Y69-A71 PolarHBondContact O-N 2.87Å; Y69-L72 HydrophobicContact CD1-CD1 3.96Å; Y69-L72 PolarHBondContact O-N 2.92Å; Y69-P73 WeakPolarHBondContact O-CD 3.39Å
70A93.2Very high96.1Very high17 Ų1729.3 Ų29.314%0.1418%0.176CC..THydrogen-bonded Turntrans-68.3-32.5-16900000113.1R36 P73 D117R36-A70 HydrophobicContact CG-CB 3.65Å; A70-P73 WeakPolarHBondContact O-CD 3.38Å; A70-D117 HydrophobicContact CB-CB 4.11Å; A70-D117 VanDerWaalsContact CB-CG 3.46Å; A70-D117 WeakPolarHBondContact CB-OD2 3.41Å
71A96.8Very high96.5Very high1 Ų131 Ų311%0.00817%0.17CC..THydrogen-bonded Turntrans-83.9-15.4-18000000113.7V67 Y69 I74 A75 I115 D117V67-A71 WeakPolarHBondContact O-CB 3.27Å; V67-A71 PolarHBondContact O-N 2.9Å; Y69-A71 VanDerWaalsContact C-N 3.35Å; Y69-A71 PolarHBondContact O-N 2.87Å; A71-I74 PolarHBondContact O-N 2.97Å; A71-A75 VanDerWaalsContact O-CB 3.31Å; A71-A75 WeakPolarHBondContact O-CB 3.26Å; A71-A75 PolarHBondContact O-N 3.06Å; A71-I115 VanDerWaalsContact CB-O 3.24Å; A71-I115 WeakPolarHBondContact CB-O 3.22Å; A71-D117 HydrophobicContact CB-CB 4.5Å
72L96.7Very high96.5Very high23 Ų2334.5 Ų34.512%0.1218%0.184CC..Hα-helixtrans-59.7-46-176.1-58.9176.4000113.7G66 P68 Y69 I74 A75 A76 M86 M88G66-L72 WeakPolarHBondContact O-CD2 3.28Å; P68-L72 HydrophobicContact CB-CD1 4.11Å; P68-L72 HydrophobicContact CG-CD2 4.47Å; Y69-L72 HydrophobicContact CD1-CD1 3.96Å; Y69-L72 PolarHBondContact O-N 2.92Å; L72-I74 VanDerWaalsContact C-N 3.31Å; L72-I74 PolarHBondContact O-N 3.36Å; L72-A75 PolarHBondContact O-N 3.32Å; L72-A76 WeakPolarHBondContact O-CB 3.46Å; L72-A76 PolarHBondContact O-N 3.39Å; L72-M86 HydrophobicContact CB-CE 4.49Å; L72-M86 HydrophobicContact CD2-CE 3.87Å; L72-M88 HydrophobicContact CD1-CE 3.86Å; L72-M88 HydrophobicContact CD1-CG 4.38Å; L72-M88 HydrophobicContact CD1-SD 3.7Å; L72-M88 HydrophobicContact CD2-CE 4.01Å; L72-M88 HydrophobicContact CD2-CG 3.79Å; L72-M88 HydrophobicContact CD2-SD 4.13Å; L72-M88 HydrophobicContact CG-CE 4.44Å
73P97.4Very high96.5Very high39 Ų3938.3 Ų38.325%0.25321%0.205SC..Hα-helixtrans-61.1-40.3179.3-24.336.6000112.5I39 M45 Y69 A70 A76 C77I39-P73 HydrophobicContact CG2-CB 3.8Å; I39-P73 HydrophobicContact CG2-CG 3.54Å; M45-P73 HydrophobicContact SD-CB 3.61Å; Y69-P73 WeakPolarHBondContact O-CD 3.39Å; A70-P73 WeakPolarHBondContact O-CD 3.38Å; P73-A76 WeakPolarHBondContact O-CB 3.35Å; P73-A76 PolarHBondContact O-N 2.61Å; P73-C77 PolarHBondContact O-N 2.93Å; P73-C77 PolarHBondContact O-SG 3.34Å
74I97.6Very high96.4Very high2 Ų239.4 Ų39.41%0.0121%0.21CC..Hα-helixtrans-73.3-41.9-179-63.7168.9000110.5L38 M45 I48 L52 A71 L72 A76 C77 I78 I145L38-I74 HydrophobicContact CD1-CD1 3.58Å; M45-I74 HydrophobicContact CG-CG1 3.92Å; M45-I74 HydrophobicContact SD-CG1 4.46Å; I48-I74 HydrophobicContact CG2-CD1 4.32Å; I48-I74 HydrophobicContact CG2-CG2 4.39Å; L52-I74 HydrophobicContact CD1-CG2 3.57Å; A71-I74 PolarHBondContact O-N 2.97Å; L72-I74 VanDerWaalsContact C-N 3.31Å; L72-I74 PolarHBondContact O-N 3.36Å; I74-A76 PolarHBondContact O-N 3.08Å; I74-C77 WeakPolarHBondContact O-CB 3.2Å; I74-C77 PolarHBondContact O-N 3.36Å; I74-I78 HydrophobicContact CG2-CD1 4.24Å; I74-I78 WeakPolarHBondContact O-CG1 3.36Å; I74-I78 PolarHBondContact O-N 3.17Å; I74-I145 HydrophobicContact CD1-CD1 3.27Å
75A97.9Very high96.4Very high0 Ų042.9 Ų42.90%023%0.233CC..Hα-helixtrans-57.2-39.6171.500000111.9I64 A71 L72 I78 S79 M86 I115I64-A75 HydrophobicContact CG2-CB 4.17Å; A71-A75 VanDerWaalsContact O-CB 3.31Å; A71-A75 WeakPolarHBondContact O-CB 3.26Å; A71-A75 PolarHBondContact O-N 3.06Å; L72-A75 PolarHBondContact O-N 3.32Å; A75-I78 PolarHBondContact O-N 3.36Å; A75-S79 WeakPolarHBondContact O-CB 3.26Å; A75-S79 PolarHBondContact O-N 3.31Å; A75-M86 HydrophobicContact CB-CE 3.58Å; A75-M86 HydrophobicContact CB-SD 3.99Å; A75-I115 HydrophobicContact CB-CB 4.07Å; A75-I115 HydrophobicContact CB-CG1 4.18Å; A75-I115 HydrophobicContact CB-CG2 4.37Å
76A98Very high96.4Very high42 Ų4245.1 Ų45.135%0.34724%0.244SC..Hα-helixtrans-65.3-42.9175.800000111.9L72 P73 I74 I78 S79 V80 M86L72-A76 WeakPolarHBondContact O-CB 3.46Å; L72-A76 PolarHBondContact O-N 3.39Å; P73-A76 WeakPolarHBondContact O-CB 3.35Å; P73-A76 PolarHBondContact O-N 2.61Å; I74-A76 PolarHBondContact O-N 3.08Å; A76-I78 PolarHBondContact O-N 2.95Å; A76-S79 WeakPolarHBondContact O-CB 3.34Å; A76-S79 PolarHBondContact O-N 3.12Å; A76-V80 WeakPolarHBondContact O-CG2 3.27Å; A76-V80 PolarHBondContact O-N 3.27Å; A76-M86 HydrophobicContact CB-SD 4.15Å
77C98Very high96.4Very high25 Ų2545.2 Ų45.217%0.16924%0.244CC..Hα-helixtrans-59.2-46.1173.1-70.40000111.8A49 P73 I74 S79 V80 H81A49-C77 HydrophobicContact CB-CB 3.51Å; P73-C77 PolarHBondContact O-N 2.93Å; P73-C77 PolarHBondContact O-SG 3.34Å; I74-C77 WeakPolarHBondContact O-CB 3.2Å; I74-C77 PolarHBondContact O-N 3.36Å; C77-S79 VanDerWaalsContact C-N 3.34Å; C77-S79 PolarHBondContact O-N 2.83Å; C77-V80 PolarHBondContact O-N 2.89Å; C77-H81 PolarHBondContact O-CD2 3.16Å; C77-H81 PolarHBondContact O-N 2.86Å
78I98.1Very high96.4Very high0 Ų048 Ų480%026%0.258CS..Hα-helixtrans-60.5-45.2177.4-62.7169000110.8A49 L52 I53 L56 I64 I74 A75 A76 V80 H81 K82 I115A49-I78 HydrophobicContact CB-CG1 3.95Å; L52-I78 HydrophobicContact CB-CD1 3.88Å; L52-I78 HydrophobicContact CD1-CD1 3.96Å; I53-I78 HydrophobicContact CD1-CG2 4.43Å; I53-I78 HydrophobicContact CG1-CB 4.4Å; I53-I78 HydrophobicContact CG1-CG1 4.24Å; I53-I78 HydrophobicContact CG1-CG2 3.81Å; L56-I78 HydrophobicContact CD1-CG2 3.91Å; I64-I78 HydrophobicContact CD1-CB 4.25Å; I64-I78 HydrophobicContact CD1-CG2 3.46Å; I64-I78 VanDerWaalsContact CD1-CG2 3.46Å; I74-I78 HydrophobicContact CG2-CD1 4.24Å; I74-I78 WeakPolarHBondContact O-CG1 3.36Å; I74-I78 PolarHBondContact O-N 3.17Å; A75-I78 PolarHBondContact O-N 3.36Å; A76-I78 PolarHBondContact O-N 2.95Å; I78-V80 VanDerWaalsContact C-N 3.34Å; I78-V80 PolarHBondContact O-N 3.47Å; I78-H81 PolarHBondContact O-N 3.06Å; I78-K82 HydrophobicContact CG2-CG 4.48Å; I78-K82 PolarHBondContact O-N 3.28Å; I78-I115 HydrophobicContact CD1-CD1 3.94Å; I78-I115 HydrophobicContact CD1-CG1 4.18Å; I78-I115 HydrophobicContact CD1-CG2 4.21Å
79S98.1Very high96.2Very high22 Ų2247.7 Ų47.715%0.15426%0.256CS..Hα-helixtrans-55.8-47.3177.4172.40000111.8A75 A76 C77 N83 I84A75-S79 WeakPolarHBondContact O-CB 3.26Å; A75-S79 PolarHBondContact O-N 3.31Å; A76-S79 WeakPolarHBondContact O-CB 3.34Å; A76-S79 PolarHBondContact O-N 3.12Å; C77-S79 VanDerWaalsContact C-N 3.34Å; C77-S79 PolarHBondContact O-N 2.83Å; S79-N83 VanDerWaalsContact O-CA 3.28Å; S79-N83 WeakPolarHBondContact O-CA 3.41Å; S79-N83 PolarHBondContact O-N 3.28Å; S79-I84 WeakPolarHBondContact CA-O 3.46Å; S79-I84 WeakPolarHBondContact CB-O 2.91Å; S79-I84 PolarHBondContact O-N 3.29Å; S79-I84 VanDerWaalsContact O-N 3.08Å; S79-I84 PolarHBondContact OG-O 3.22Å
80V97.9Very high95.5Very high118 Ų11843.3 Ų43.372%0.71524%0.238SC*.Hα-helixtrans-64-48.1178171.40000111.5A76 C77 I78 K82 N83A76-V80 WeakPolarHBondContact O-CG2 3.27Å; A76-V80 PolarHBondContact O-N 3.27Å; C77-V80 PolarHBondContact O-N 2.89Å; I78-V80 VanDerWaalsContact C-N 3.34Å; I78-V80 PolarHBondContact O-N 3.47Å; V80-K82 PolarHBondContact O-N 2.94Å; V80-N83 PolarHBondContact O-N 3.36Å
81H97.2Very high94.2Very high84 Ų8449.1 Ų49.139%0.38926%0.26SS..Hα-helixtrans-65.1-38.3-177.7-82.1-60.9000113.9D46 I53 C77 I78D46-H81 IonicContact OD1-CD2 3.58Å; D46-H81 IonicContact OD1-CE1 3.48Å; D46-H81 PolarHBondContact OD1-CE1 3.33Å; D46-H81 IonicContact OD1-NE2 3.61Å; D46-H81 PolarHBondContact OD1-NE2 3.04Å; D46-H81 IonicContact OD2-NE2 2.8Å; I53-H81 HydrophobicContact CD1-CB 3.47Å; I53-H81 VanDerWaalsContact CD1-CB 3.47Å; C77-H81 PolarHBondContact O-CD2 3.16Å; C77-H81 PolarHBondContact O-N 2.86Å; I78-H81 PolarHBondContact O-N 3.06Å
82K95.9Very high92.6Very high102 Ų10256.3 Ų56.344%0.44329%0.294SS..Hα-helixtrans-94.6-4.1-177.8-62.1-68.2-95.4-172.10113.1I53 L56 I78 V80 I84I53-K82 HydrophobicContact CD1-CD 4.27Å; I53-K82 HydrophobicContact CD1-CG 3.91Å; I53-K82 HydrophobicContact CG1-CD 4.2Å; I53-K82 HydrophobicContact CG1-CG 3.83Å; I53-K82 HydrophobicContact CG2-CD 3.6Å; I53-K82 HydrophobicContact CG2-CG 4.18Å; L56-K82 HydrophobicContact CD1-CG 4.34Å; I78-K82 HydrophobicContact CG2-CG 4.48Å; I78-K82 PolarHBondContact O-N 3.28Å; V80-K82 PolarHBondContact O-N 2.94Å; K82-I84 HydrophobicContact CB-CD1 3.59Å; K82-I84 HydrophobicContact CB-CG1 3.73Å; K82-I84 HydrophobicContact CG-CD1 4.41Å; K82-I84 PolarHBondContact O-N 3.46Å
83N96.6Very high90.6Very high149 Ų14956.5 Ų56.580%0.79730%0.299SS*.THydrogen-bonded Turntrans51.643.4-172-168.138.7000111.9S79 V80S79-N83 VanDerWaalsContact O-CA 3.28Å; S79-N83 WeakPolarHBondContact O-CA 3.41Å; S79-N83 PolarHBondContact O-N 3.28Å; V80-N83 PolarHBondContact O-N 3.36Å
84I97.1Very high88.2Confident24 Ų2460.5 Ų60.512%0.12331%0.312CS..  trans-106.5126.9178.4-60171.4000108.1I61 I64 S79 K82I61-I84 HydrophobicContact CB-CD1 4.34Å; I61-I84 HydrophobicContact CG2-CD1 4.2Å; I61-I84 HydrophobicContact CG2-CG2 4.22Å; I64-I84 HydrophobicContact CD1-CB 4.01Å; I64-I84 HydrophobicContact CD1-CD1 4.2Å; I64-I84 HydrophobicContact CD1-CG2 4.11Å; I64-I84 HydrophobicContact CG1-CB 4.3Å; I64-I84 HydrophobicContact CG1-CG2 3.84Å; S79-I84 WeakPolarHBondContact CA-O 3.46Å; S79-I84 WeakPolarHBondContact CB-O 2.91Å; S79-I84 PolarHBondContact O-N 3.29Å; S79-I84 VanDerWaalsContact O-N 3.08Å; S79-I84 PolarHBondContact OG-O 3.22Å; K82-I84 HydrophobicContact CB-CD1 3.59Å; K82-I84 HydrophobicContact CB-CG1 3.73Å; K82-I84 HydrophobicContact CG-CD1 4.41Å; K82-I84 PolarHBondContact O-N 3.46Å
85P98Very high85.6Confident74 Ų7465.2 Ų65.248%0.48135%0.345SS..  trans-56.1143176.7-22.831.2000112.8D62 L63 I64D62-P85 WeakPolarHBondContact O-CD 3.43Å; L63-P85 CarbonylContact C-O 3.58Å; L63-P85 WeakPolarHBondContact CA-O 3.16Å; L63-P85 HydrophobicContact CD2-CB 3.97Å; I64-P85 PolarHBondContact N-O 3.26Å
86M97.8Very high82.7Confident46 Ų4674.8 Ų74.823%0.22738%0.383CS..EExtended strand (participates in β ladder)trans-108.9138.8177.9-176.4178.1170.200110.6I64 L72 A75 A76I64-M86 CarbonylContact O-C 3.48Å; I64-M86 VanDerWaalsContact O-CA 3.28Å; I64-M86 WeakPolarHBondContact O-CA 3.44Å; I64-M86 WeakPolarHBondContact O-CG 3.24Å; L72-M86 HydrophobicContact CB-CE 4.49Å; L72-M86 HydrophobicContact CD2-CE 3.87Å; A75-M86 HydrophobicContact CB-CE 3.58Å; A75-M86 HydrophobicContact CB-SD 3.99Å; A76-M86 HydrophobicContact CB-SD 4.15Å
87V96.9Very high80.2Confident2 Ų275.9 Ų75.91%0.01240%0.399CS..EExtended strand (participates in β ladder)trans-113.5160.2165.6-65.80000109.9L63 I64 C65 I102 E103 W106 L132L63-V87 HydrophobicContact CD1-CG1 4.18Å; L63-V87 HydrophobicContact CD2-CG1 4.17Å; I64-V87 PolarHBondContact O-N 2.97Å; C65-V87 WeakPolarHBondContact CA-O 3.31Å; C65-V87 HydrophobicContact CB-CG2 3.82Å; V87-I102 HydrophobicContact CB-CG2 3.85Å; V87-I102 HydrophobicContact CG1-CG2 4.22Å; V87-I102 HydrophobicContact CG2-CG2 4.38Å; V87-E103 CarbonylContact C-O 3.6Å; V87-E103 VanDerWaalsContact CA-O 3.24Å; V87-E103 WeakPolarHBondContact CA-O 3.48Å; V87-E103 WeakPolarHBondContact CB-O 3.48Å; V87-W106 HydrophobicContact CG1-CB 4.13Å; V87-W106 HydrophobicContact CG1-CG 4.48Å; V87-L132 HydrophobicContact CG2-CD2 4.13Å
88M93.6Very high77.8Confident65 Ų6579.7 Ų79.732%0.3242%0.421SS..EExtended strand (participates in β ladder)trans-137.3124.5178.8179.5-173-45.300110.5L72 I102 E103L72-M88 HydrophobicContact CD1-CE 3.86Å; L72-M88 HydrophobicContact CD1-CG 4.38Å; L72-M88 HydrophobicContact CD1-SD 3.7Å; L72-M88 HydrophobicContact CD2-CE 4.01Å; L72-M88 HydrophobicContact CD2-CG 3.79Å; L72-M88 HydrophobicContact CD2-SD 4.13Å; L72-M88 HydrophobicContact CG-CE 4.44Å; M88-I102 WeakPolarHBondContact O-CA 3.3Å; M88-E103 HydrophobicContact CB-CB 4.38Å; M88-E103 PolarHBondContact N-O 2.67Å; M88-E103 PolarHBondContact O-N 3.31Å
89C86.3Confident75.7Confident4 Ų485.6 Ų85.63%0.02745%0.447CS..EExtended strand (participates in β ladder)trans-87.2118.5173.4-67.80000109.8P68 V128 L131P68-C89 WeakPolarHBondContact CD-O 3.35Å; P68-C89 WeakPolarHBondContact CG-O 3.38Å; C89-V128 HydrophobicContact CB-CG1 4.36Å; C89-V128 HydrophobicContact CB-CG2 4.24Å; C89-L131 HydrophobicContact CB-CD2 3.7Å
90R76Confident74.1Confident71 Ų7189.5 Ų89.527%0.26846%0.463SS..  trans-78.9148.7177.5-65.317958.9-178.3-5.5111.1E92 K94 I101 E103R90-E92 VanDerWaalsContact C-N 3.31Å; R90-K94 VanDerWaalsContact NH1-CD 3.34Å; R90-K94 VanDerWaalsContact NH1-CG 3.3Å; R90-I101 PolarHBondContact N-O 2.88Å; R90-E103 WeakPolarHBondContact CD-OE1 3.24Å; R90-E103 HydrophobicContact CG-CG 3.95Å; R90-E103 IonicContact CZ-OE1 2.73Å; R90-E103 IonicContact NE-OE1 3.27Å; R90-E103 IonicContact NH1-OE1 3.46Å; R90-E103 PolarHBondContact NH1-OE1 2.83Å
91K66.9Low72.9Confident138 Ų13886 Ų8660%0.644%0.439SS*.SBendtrans-70.6-28.7173.9-71.9-173178.6174.40113P68P68-K91 VanDerWaalsContact O-CE 3.26Å; P68-K91 WeakPolarHBondContact O-CE 3.47Å; P68-K91 PolarHBondContact O-NZ 3.26Å
92E62.8Low72.4Confident153 Ų15382.2 Ų82.272%0.71542%0.422SS*.SBendtrans-135.5134-176.3-64.5170.5-169.600109.3R90R90-E92 VanDerWaalsContact C-N 3.31Å
93A54Low72.1Confident27 Ų2780.2 Ų80.222%0.22341%0.414CS..  trans-69.9140.917000000109.9
94K47Very low71.9Confident122 Ų12275 Ų7553%0.5340%0.395SS..  trans-64.2143.4172-75.9176.9172.6161.30109.7R90 Y96R90-K94 VanDerWaalsContact NH1-CD 3.34Å; R90-K94 VanDerWaalsContact NH1-CG 3.3Å; K94-Y96 VanDerWaalsContact CB-O 3.3Å; K94-Y96 WeakPolarHBondContact CB-O 3.09Å; K94-Y96 PolarHBondContact O-N 2.92Å
95S42.6Very low71.7Confident102 Ų10281.3 Ų81.371%0.71343%0.428SS*.SBendtrans-67.4-21.5165.631.30000113.3
96Y37.8Very low71.5Confident200 Ų20081.6 Ų81.678%0.78442%0.42SS*.SBendtrans-139.1131.6179.5-65.1-86.2000111.9K94K94-Y96 VanDerWaalsContact CB-O 3.3Å; K94-Y96 WeakPolarHBondContact CB-O 3.09Å; K94-Y96 PolarHBondContact O-N 2.92Å
97G46.5Very low71.3Confident66 Ų6686.8 Ų86.868%0.6844%0.441SS*.SBendtrans121.1-169.6177.900000114.4K99G97-K99 PolarHBondContact O-N 3.37Å; G97-K99 VanDerWaalsContact O-N 3.11Å
98T45.8Very low70.9Confident104 Ų10492.9 Ų92.964%0.63847%0.473SS*.  trans-57.2117.5171.444.40000108.4Q100T98-Q100 PolarHBondContact O-N 2.9Å
99K54.5Low70.7Confident124 Ų12492.4 Ų92.454%0.53949%0.485SS..  trans-66.623.4-178.2-69.5-179.6165.9-156.50114.3G97 I101 D362G97-K99 PolarHBondContact O-N 3.37Å; G97-K99 VanDerWaalsContact O-N 3.11Å; K99-I101 PolarHBondContact O-N 3.41Å; K99-D362 WeakPolarHBondContact CB-OD2 3.31Å; K99-D362 WeakPolarHBondContact CD-OD1 3.43Å; K99-D362 WeakPolarHBondContact CE-OD1 3.43Å; K99-D362 IonicContact NZ-OD1 3.01Å; K99-D362 PolarHBondContact NZ-OD1 3.46Å
100Q64.1Low71.2Confident105 Ų10594.1 Ų94.149%0.49149%0.493SS..  trans-81.6120.3-176.1-66.8-179.2-9.300109.2T98 I102T98-Q100 PolarHBondContact O-N 2.9Å; Q100-I102 VanDerWaalsContact C-N 3.29Å
101I73.1Confident72.2Confident43 Ų4392.8 Ų92.822%0.22149%0.491CS..SBendtrans-76.7-24.8174.1-49.4175.5000110.1R90 K99 L131R90-I101 PolarHBondContact N-O 2.88Å; K99-I101 PolarHBondContact O-N 3.41Å; I101-L131 HydrophobicContact CB-CD1 4.17Å; I101-L131 HydrophobicContact CB-CD2 4.12Å; I101-L131 HydrophobicContact CD1-CD1 4.11Å; I101-L131 HydrophobicContact CG2-CD1 4.12Å; I101-L131 HydrophobicContact CG2-CD2 3.42Å; I101-L131 VanDerWaalsContact CG2-CD2 3.42Å; I101-L131 HydrophobicContact CG2-CG 4.39Å
102I86.2Confident73.6Confident5 Ų586.2 Ų86.23%0.02646%0.462CS..EExtended strand (participates in β ladder)trans-101.2112.3174.9-55.7173.8000108.7V87 M88 Q100 L131 L132 S135 I137V87-I102 HydrophobicContact CB-CG2 3.85Å; V87-I102 HydrophobicContact CG1-CG2 4.22Å; V87-I102 HydrophobicContact CG2-CG2 4.38Å; M88-I102 WeakPolarHBondContact O-CA 3.3Å; Q100-I102 VanDerWaalsContact C-N 3.29Å; I102-L131 HydrophobicContact CD1-CG 4.4Å; I102-L131 HydrophobicContact CG1-CD2 4.26Å; I102-L131 HydrophobicContact CG1-CG 4.19Å; I102-L132 HydrophobicContact CD1-CD2 4.04Å; I102-S135 VanDerWaalsContact CD1-CB 3.46Å; I102-S135 WeakPolarHBondContact CD1-OG 3.42Å; I102-I137 HydrophobicContact CD1-CD1 4.06Å
103E90.3Very high75.3Confident61 Ų6179 Ų7929%0.28543%0.429SS..EExtended strand (participates in β ladder)trans-84.4141.9172.7-56.9-78.5-174.600109.7V87 M88 R90V87-E103 CarbonylContact C-O 3.6Å; V87-E103 VanDerWaalsContact CA-O 3.24Å; V87-E103 WeakPolarHBondContact CA-O 3.48Å; V87-E103 WeakPolarHBondContact CB-O 3.48Å; M88-E103 HydrophobicContact CB-CB 4.38Å; M88-E103 PolarHBondContact N-O 2.67Å; M88-E103 PolarHBondContact O-N 3.31Å; R90-E103 WeakPolarHBondContact CD-OE1 3.24Å; R90-E103 HydrophobicContact CG-CG 3.95Å; R90-E103 IonicContact CZ-OE1 2.73Å; R90-E103 IonicContact NE-OE1 3.27Å; R90-E103 IonicContact NH1-OE1 3.46Å; R90-E103 PolarHBondContact NH1-OE1 2.83Å
104G92.1Very high77.4Confident39 Ų3977.8 Ų77.840%0.40242%0.418SS..SBendtrans116.5170.8-179.400000113.6
105I93.6Very high79.8Confident157 Ų15772 Ų7281%0.80539%0.393SS*.  trans-94.9118.6178.3-58.1172.9000108.6
106W94.3Very high82.4Confident80 Ų8067.7 Ų67.730%0.30336%0.362SS..  trans-142.1163.1179.760-91.6000111.6L63 V87 Q110 S135 I137L63-W106 HydrophobicContact CD1-CB 3.79Å; V87-W106 HydrophobicContact CG1-CB 4.13Å; V87-W106 HydrophobicContact CG1-CG 4.48Å; W106-Q110 VanDerWaalsContact CA-OE1 3.28Å; W106-S135 WeakPolarHBondContact CH2-O 3.28Å; W106-S135 WeakPolarHBondContact CZ3-O 3.36Å; W106-I137 HydrophobicContact CB-CD1 4.07Å; W106-I137 HydrophobicContact CD2-CD1 3.71Å; W106-I137 HydrophobicContact CD2-CG1 4.09Å; W106-I137 HydrophobicContact CE3-CD1 3.87Å; W106-I137 HydrophobicContact CE3-CG1 3.69Å; W106-I137 HydrophobicContact CG-CD1 3.79Å; W106-I137 HydrophobicContact CG-CG1 4.5Å; W106-I137 HydrophobicContact CZ3-CG1 4.21Å
107K92Very high85.2Confident155 Ų15559.3 Ų59.367%0.67433%0.33SS*.  trans-129147.4177.6-63177.5-177.2175.30109.3G109 Q110K107-G109 PolarHBondContact O-N 2.95Å; K107-Q110 HydrophobicContact CB-CG 4.2Å; K107-Q110 WeakPolarHBondContact O-CB 3.46Å; K107-Q110 WeakPolarHBondContact O-CG 3.39Å; K107-Q110 PolarHBondContact O-N 2.9Å; K107-Q110 PolarHBondContact O-OE1 3.22Å
108N89.5Confident87.6Confident130 Ų13057.4 Ų57.470%0.69531%0.306SS*.THydrogen-bonded Turntrans-57.5137.9173.8-170.9-29.8000110.3G136N108-G136 PolarHBondContact OD1-O 3.06Å
109G89.7Confident89.8Confident55 Ų5552.6 Ų52.657%0.56728%0.276SS*.THydrogen-bonded Turntrans89.5-6.2179.300000115.1K107 G136K107-G109 PolarHBondContact O-N 2.95Å; G109-G136 PolarHBondContact N-O 2.92Å
110Q96.6Very high91.4Very high40 Ų4049 Ų4919%0.18726%0.264CS..  trans-66.8143.1176.3-75.4-173.2-59.400112D62 L63 W106 K107 I137 Y138D62-Q110 HydrophobicContact CB-CB 3.82Å; D62-Q110 HydrophobicContact CB-CG 3.95Å; D62-Q110 WeakPolarHBondContact OD2-CA 3.35Å; L63-Q110 HydrophobicContact CD1-CB 3.9Å; L63-Q110 HydrophobicContact CG-CB 4.22Å; W106-Q110 VanDerWaalsContact CA-OE1 3.28Å; K107-Q110 HydrophobicContact CB-CG 4.2Å; K107-Q110 WeakPolarHBondContact O-CB 3.46Å; K107-Q110 WeakPolarHBondContact O-CG 3.39Å; K107-Q110 PolarHBondContact O-N 2.9Å; K107-Q110 PolarHBondContact O-OE1 3.22Å; Q110-I137 WeakPolarHBondContact O-CG2 3.49Å; Q110-Y138 PolarHBondContact O-N 2.88Å
111N96Very high92.4Very high43 Ų4345.2 Ų45.223%0.2325%0.25CC..EExtended strand (participates in β ladder)trans-90.7124.2176.6-174.216.8000111.6G60 D62 L63 Y138G60-N111 VanDerWaalsContact O-CB 3.29Å; G60-N111 WeakPolarHBondContact O-CB 3.45Å; G60-N111 PolarHBondContact O-ND2 3.41Å; D62-N111 PolarHBondContact N-O 3.29Å; D62-N111 PolarHBondContact OD2-N 3.37Å; L63-N111 PolarHBondContact N-O 3.02Å; N111-Y138 CarbonylContact C-O 3.45Å; N111-Y138 WeakPolarHBondContact CA-O 3.47Å; N111-Y138 HydrophobicContact CB-CD1 4.07Å; N111-Y138 WeakPolarHBondContact OD1-CD1 3.08Å
112C97.4Very high93.1Very high0 Ų043.3 Ų43.30%024%0.241CC..EExtended strand (participates in β ladder)trans-118.4130.9-175.8-172.80000112.4L63 C65 L132 I137 Y138 T139L63-C112 HydrophobicContact CB-CB 3.88Å; L63-C112 VanDerWaalsContact O-CA 3.29Å; L63-C112 WeakPolarHBondContact O-CA 3.25Å; C65-C112 VanDerWaalsContact CB-SG 3.54Å; C112-L132 HydrophobicContact CB-CD1 4.39Å; C112-I137 HydrophobicContact CB-CG2 3.45Å; C112-I137 VanDerWaalsContact CB-CG2 3.45Å; C112-Y138 PolarHBondContact N-O 2.95Å; C112-T139 WeakPolarHBondContact O-CA 3.35Å; C112-T139 WeakPolarHBondContact O-CB 3.36Å; C112-T139 PolarHBondContact O-OG1 3.05Å
113V97.8Very high92.9Very high2 Ų245 Ų451%0.01225%0.253CS..EExtended strand (participates in β ladder)trans-96.8131170.1175.30000109.9L56 I61 L63 I64 C65 I115 I143L56-V113 HydrophobicContact CD2-CG1 3.97Å; I61-V113 HydrophobicContact CD1-CG2 3.93Å; I61-V113 HydrophobicContact CG1-CG2 3.89Å; I61-V113 HydrophobicContact CG2-CB 4.36Å; I61-V113 HydrophobicContact CG2-CG2 3.93Å; L63-V113 PolarHBondContact O-N 3.3Å; I64-V113 WeakPolarHBondContact CA-O 3.41Å; C65-V113 PolarHBondContact N-O 3.11Å; V113-I115 HydrophobicContact CG1-CD1 4.14Å; V113-I143 HydrophobicContact CG1-CG1 3.88Å
114I98.1Very high92.8Very high0 Ų044.3 Ų44.30%026%0.255CS..EExtended strand (participates in β ladder)trans-88136.1177-61.4169.5000109.6C65 V67 V125 V128 A129 L132 T139 H141 A142 I143C65-I114 CarbonylContact O-C 3.56Å; C65-I114 VanDerWaalsContact O-CA 3.29Å; C65-I114 WeakPolarHBondContact O-CA 3.26Å; V67-I114 HydrophobicContact CG2-CG2 3.56Å; I114-V125 HydrophobicContact CD1-CG1 4.16Å; I114-V125 HydrophobicContact CG2-CG1 4.19Å; I114-V128 HydrophobicContact CD1-CB 4.43Å; I114-V128 HydrophobicContact CD1-CG1 3.97Å; I114-V128 HydrophobicContact CG1-CG1 4.15Å; I114-V128 HydrophobicContact CG2-CG1 4.36Å; I114-A129 HydrophobicContact CD1-CB 3.61Å; I114-L132 HydrophobicContact CD1-CD1 4.16Å; I114-L132 HydrophobicContact CG1-CD1 3.97Å; I114-T139 HydrophobicContact CD1-CG2 4.38Å; I114-H141 PolarHBondContact N-O 3.11Å; I114-A142 HydrophobicContact CB-CB 4.09Å; I114-A142 CarbonylContact O-C 3.53Å; I114-A142 VanDerWaalsContact O-CA 3.24Å; I114-A142 WeakPolarHBondContact O-CA 3.18Å; I114-I143 PolarHBondContact O-N 2.76Å
115I98.2Very high92.8Very high0 Ų042.5 Ų42.50%024%0.236CC..EExtended strand (participates in β ladder)trans-112.9127.4173.7-50.4-60.6000108.4L52 I64 C65 G66 V67 A71 A75 I78 V113 I143L52-I115 HydrophobicContact CD1-CG2 4.38Å; I64-I115 HydrophobicContact CG2-CD1 4.32Å; I64-I115 HydrophobicContact CG2-CG1 3.51Å; C65-I115 PolarHBondContact O-N 2.8Å; G66-I115 WeakPolarHBondContact CA-O 3.48Å; V67-I115 PolarHBondContact N-O 3.36Å; A71-I115 VanDerWaalsContact CB-O 3.24Å; A71-I115 WeakPolarHBondContact CB-O 3.22Å; A75-I115 HydrophobicContact CB-CB 4.07Å; A75-I115 HydrophobicContact CB-CG1 4.18Å; A75-I115 HydrophobicContact CB-CG2 4.37Å; I78-I115 HydrophobicContact CD1-CD1 3.94Å; I78-I115 HydrophobicContact CD1-CG1 4.18Å; I78-I115 HydrophobicContact CD1-CG2 4.21Å; V113-I115 HydrophobicContact CG1-CD1 4.14Å; I115-I143 WeakPolarHBondContact CA-O 3.21Å; I115-I143 HydrophobicContact CD1-CB 3.91Å; I115-I143 HydrophobicContact CD1-CG1 4.37Å
116E97.2Very high92.4Very high12 Ų1235.1 Ų35.16%0.05620%0.198CC..EExtended strand (participates in β ladder)trans-133.4150.3178.7177.470.1-72.400109.9V67 S124 V125 I143 I144 I145V67-E116 WeakPolarHBondContact CB-OE1 3.47Å; V67-E116 WeakPolarHBondContact CB-OE2 3.49Å; V67-E116 VanDerWaalsContact CG1-OE2 3.25Å; V67-E116 WeakPolarHBondContact CG1-OE2 3.38Å; V67-E116 HydrophobicContact CG2-CB 4.05Å; V67-E116 HydrophobicContact CG2-CG 4.46Å; V67-E116 WeakPolarHBondContact CG2-OE2 3.34Å; E116-S124 WeakPolarHBondContact OE2-CB 3.44Å; E116-V125 HydrophobicContact CB-CG2 3.78Å; E116-V125 HydrophobicContact CG-CG2 3.81Å; E116-I143 PolarHBondContact N-O 2.83Å; E116-I144 HydrophobicContact CB-CD1 3.59Å; E116-I144 HydrophobicContact CG-CD1 4.21Å; E116-I144 WeakPolarHBondContact O-CA 3.48Å; E116-I145 PolarHBondContact O-N 2.96Å
117D96.6Very high91.9Very high24 Ų2434.6 Ų34.613%0.12821%0.207CC..EExtended strand (participates in β ladder)trans-82.5-56.6-178.973.9-43.2000111.3L35 A70 A71 I145 I146L35-D117 HydrophobicContact CB-CB 4.03Å; L35-D117 HydrophobicContact CD1-CB 3.73Å; L35-D117 WeakPolarHBondContact CD1-O 3.33Å; A70-D117 HydrophobicContact CB-CB 4.11Å; A70-D117 VanDerWaalsContact CB-CG 3.46Å; A70-D117 WeakPolarHBondContact CB-OD2 3.41Å; A71-D117 HydrophobicContact CB-CB 4.5Å; D117-I145 HydrophobicContact CB-CD1 4.34Å; D117-I145 VanDerWaalsContact O-CB 3.27Å; D117-I145 WeakPolarHBondContact O-CB 3.12Å; D117-I145 PolarHBondContact O-N 3.36Å; D117-I146 PolarHBondContact O-N 3.06Å
118V95.5Very high91.7Very high26 Ų2627.8 Ų27.816%0.15818%0.178CC..EExtended strand (participates in β ladder)trans-132.6129.9-177.7-173.60000110.4I33 L35 I146 R148I33-V118 HydrophobicContact CB-CG2 4.23Å; I33-V118 HydrophobicContact CG2-CG2 3.63Å; L35-V118 HydrophobicContact CD1-CG2 3.58Å; L35-V118 HydrophobicContact CG-CG2 4.26Å; V118-I146 WeakPolarHBondContact CA-O 3.4Å; V118-R148 HydrophobicContact CG1-CG 3.7Å
119I92.4Very high91.7Very high3 Ų321.6 Ų21.62%0.01515%0.145CC..EExtended strand (participates in β ladder)trans-103.5133.3169.7-168.6173.6000111.6G122 I144 I146 D147 R148 L156 I163I119-G122 VanDerWaalsContact CD1-CA 3.46Å; I119-I144 HydrophobicContact CB-CG2 4.12Å; I119-I144 HydrophobicContact CG2-CG1 4.44Å; I119-I144 HydrophobicContact CG2-CG2 3.93Å; I119-I146 PolarHBondContact N-O 3.35Å; I119-D147 HydrophobicContact CG2-CB 3.86Å; I119-D147 WeakPolarHBondContact CG2-OD1 3.43Å; I119-R148 VanDerWaalsContact O-CB 3.3Å; I119-R148 WeakPolarHBondContact O-CB 3.47Å; I119-R148 PolarHBondContact O-N 2.92Å; I119-L156 HydrophobicContact CD1-CD1 3.34Å; I119-L156 HydrophobicContact CD1-CG 4.38Å; I119-I163 HydrophobicContact CD1-CD1 3.6Å
120T89.3Confident91.3Very high48 Ų4821.3 Ų21.329%0.29413%0.129SC..SBendtrans-112.3-77.7166.9-470000109.7R148 Q150 G152 P200T120-R148 WeakPolarHBondContact OG1-CD 3.42Å; T120-Q150 HydrophobicContact CG2-CB 3.98Å; T120-Q150 HydrophobicContact CG2-CG 4.49Å; T120-Q150 CarbonylContact O-C 3.07Å; T120-Q150 VanDerWaalsContact O-O 3.06Å; T120-G152 WeakPolarHBondContact O-CA 3.45Å; T120-G152 PolarHBondContact O-N 3.34Å; T120-P200 HydrophobicContact CG2-CG 4.11Å
121S83.9Confident90.6Very high26 Ų2620.4 Ų20.418%0.18213%0.126CC..SBendtrans-92.7-13.8177.465.10000114.4S123 Y155S121-S123 VanDerWaalsContact C-N 3.3Å; S121-S123 PolarHBondContact O-N 3.41Å; S121-S123 PolarHBondContact OG-OG 3.16Å; S121-S123 VanDerWaalsContact OG-OG 3.12Å; S121-Y155 WeakPolarHBondContact O-CD1 3.09Å
122G87.9Confident90.2Very high3 Ų318.4 Ų18.43%0.03112%0.115CC..SBendtrans82.3-3-17500000115.9I119 S124 V125 C126I119-G122 VanDerWaalsContact CD1-CA 3.46Å; G122-S124 VanDerWaalsContact C-N 3.29Å; G122-S124 PolarHBondContact O-N 2.93Å; G122-V125 PolarHBondContact O-N 3.22Å; G122-C126 WeakPolarHBondContact O-CB 3.47Å; G122-C126 PolarHBondContact O-N 3.42Å
123S83Confident89.7Confident41 Ų4121.3 Ų21.329%0.28713%0.126SC..Hα-helixtrans-54.1-37.8-179.253.70000115S121 S127S121-S123 VanDerWaalsContact C-N 3.3Å; S121-S123 PolarHBondContact O-N 3.41Å; S121-S123 PolarHBondContact OG-OG 3.16Å; S121-S123 VanDerWaalsContact OG-OG 3.12Å; S123-S127 WeakPolarHBondContact O-CB 3.25Å; S123-S127 PolarHBondContact O-N 2.87Å; S123-S127 PolarHBondContact O-OG 3.42Å
124S87.5Confident88.6Confident47 Ų4724 Ų2433%0.32914%0.138SC..Hα-helixtrans-70.6-47-177.3-60.20000111.6E116 G122 C126 S127 V128E116-S124 WeakPolarHBondContact OE2-CB 3.44Å; G122-S124 VanDerWaalsContact C-N 3.29Å; G122-S124 PolarHBondContact O-N 2.93Å; S124-C126 PolarHBondContact O-N 3.3Å; S124-S127 PolarHBondContact O-N 3.37Å; S124-V128 WeakPolarHBondContact O-CG2 3.45Å; S124-V128 PolarHBondContact O-N 3.15Å; S124-V128 VanDerWaalsContact O-N 3.09Å
125V92.3Very high87.7Confident1 Ų125.8 Ų25.81%0.00615%0.15CC..Hα-helixtrans-60.3-44.7172.2175.70000111.3V67 I114 E116 G122 S127 V128 A129 A142 I144 L156 I161V67-V125 HydrophobicContact CG2-CG2 4.41Å; I114-V125 HydrophobicContact CD1-CG1 4.16Å; I114-V125 HydrophobicContact CG2-CG1 4.19Å; E116-V125 HydrophobicContact CB-CG2 3.78Å; E116-V125 HydrophobicContact CG-CG2 3.81Å; G122-V125 PolarHBondContact O-N 3.22Å; V125-S127 PolarHBondContact O-N 2.77Å; V125-V128 PolarHBondContact O-N 3.06Å; V125-A129 WeakPolarHBondContact O-CB 3.39Å; V125-A129 PolarHBondContact O-N 3.42Å; V125-A142 HydrophobicContact CG1-CB 3.66Å; V125-I144 HydrophobicContact CG2-CD1 4.14Å; V125-L156 HydrophobicContact CB-CD1 3.81Å; V125-L156 HydrophobicContact CB-CD2 4.11Å; V125-L156 HydrophobicContact CG1-CD1 3.75Å; V125-L156 HydrophobicContact CG1-CD2 3.96Å; V125-L156 HydrophobicContact CG2-CD1 4.34Å; V125-I161 HydrophobicContact CG1-CG2 4.22Å
126C85.8Confident87Confident2 Ų226.7 Ų26.71%0.01416%0.16CC..Hα-helixtrans-59.9-45.5178.4-178.20000111.6G122 S124 V128 A129 Q130 Y155 L156G122-C126 WeakPolarHBondContact O-CB 3.47Å; G122-C126 PolarHBondContact O-N 3.42Å; S124-C126 PolarHBondContact O-N 3.3Å; C126-V128 VanDerWaalsContact C-N 3.34Å; C126-V128 PolarHBondContact O-N 2.86Å; C126-A129 PolarHBondContact O-N 2.75Å; C126-Q130 WeakPolarHBondContact O-CB 3.41Å; C126-Q130 VanDerWaalsContact O-CG 3.31Å; C126-Q130 WeakPolarHBondContact O-CG 3.23Å; C126-Q130 PolarHBondContact O-N 2.88Å; C126-Q130 PolarHBondContact SG-NE2 3.02Å; C126-Q130 VanDerWaalsContact SG-NE2 3.43Å; C126-Y155 HydrophobicContact CB-CE1 3.69Å; C126-Y155 PolarHBondContact SG-OH 2.61Å; C126-Y155 VanDerWaalsContact SG-OH 3.35Å; C126-L156 HydrophobicContact CB-CD2 3.76Å
127S82.7Confident86.7Confident69 Ų6926.1 Ų26.148%0.48316%0.157SC..Hα-helixtrans-61.3-42.8179-56.30000111.8S123 S124 V125 L131S123-S127 WeakPolarHBondContact O-CB 3.25Å; S123-S127 PolarHBondContact O-N 2.87Å; S123-S127 PolarHBondContact O-OG 3.42Å; S124-S127 PolarHBondContact O-N 3.37Å; V125-S127 PolarHBondContact O-N 2.77Å; S127-L131 PolarHBondContact O-N 3.1Å; S127-L131 VanDerWaalsContact O-N 3.11Å
128V89.3Confident86.5Confident12 Ų1230.2 Ų30.27%0.07317%0.172CC..Hα-helixtrans-65.3-45.4175.7168.90000110.9V67 C89 I114 S124 V125 C126 Q130 L131 L132V67-V128 HydrophobicContact CG1-CG2 4.12Å; V67-V128 HydrophobicContact CG2-CG2 4.12Å; C89-V128 HydrophobicContact CB-CG1 4.36Å; C89-V128 HydrophobicContact CB-CG2 4.24Å; I114-V128 HydrophobicContact CD1-CB 4.43Å; I114-V128 HydrophobicContact CD1-CG1 3.97Å; I114-V128 HydrophobicContact CG1-CG1 4.15Å; I114-V128 HydrophobicContact CG2-CG1 4.36Å; S124-V128 WeakPolarHBondContact O-CG2 3.45Å; S124-V128 PolarHBondContact O-N 3.15Å; S124-V128 VanDerWaalsContact O-N 3.09Å; V125-V128 PolarHBondContact O-N 3.06Å; C126-V128 VanDerWaalsContact C-N 3.34Å; C126-V128 PolarHBondContact O-N 2.86Å; V128-Q130 VanDerWaalsContact C-N 3.34Å; V128-Q130 PolarHBondContact O-N 3.45Å; V128-L131 PolarHBondContact O-N 3.19Å; V128-L132 HydrophobicContact CG1-CD1 3.96Å; V128-L132 HydrophobicContact CG1-CG 4.37Å; V128-L132 VanDerWaalsContact O-CG 3.31Å; V128-L132 WeakPolarHBondContact O-CG 3.46Å; V128-L132 PolarHBondContact O-N 2.97Å
129A89.5Confident86.3Confident0 Ų029 Ų290%016%0.164CC..Hα-helixtrans-60.9-42.8178.400000112.4I114 V125 C126 L132 R133 T139 I161I114-A129 HydrophobicContact CD1-CB 3.61Å; V125-A129 WeakPolarHBondContact O-CB 3.39Å; V125-A129 PolarHBondContact O-N 3.42Å; C126-A129 PolarHBondContact O-N 2.75Å; A129-L132 PolarHBondContact O-N 3.35Å; A129-R133 WeakPolarHBondContact O-CB 3.35Å; A129-R133 WeakPolarHBondContact O-CG 3.38Å; A129-R133 PolarHBondContact O-N 2.9Å; A129-T139 HydrophobicContact CB-CG2 3.91Å; A129-I161 HydrophobicContact CB-CD1 3.33Å; A129-I161 HydrophobicContact CB-CG1 4.18Å
130Q80.6Confident86.4Confident48 Ų4832.2 Ų32.222%0.22418%0.179CC..Hα-helixtrans-60.9-45.7175.8-75.3174.4-5.600111.4C126 V128 R133 Q134C126-Q130 WeakPolarHBondContact O-CB 3.41Å; C126-Q130 VanDerWaalsContact O-CG 3.31Å; C126-Q130 WeakPolarHBondContact O-CG 3.23Å; C126-Q130 PolarHBondContact O-N 2.88Å; C126-Q130 PolarHBondContact SG-NE2 3.02Å; C126-Q130 VanDerWaalsContact SG-NE2 3.43Å; V128-Q130 VanDerWaalsContact C-N 3.34Å; V128-Q130 PolarHBondContact O-N 3.45Å; Q130-R133 PolarHBondContact O-N 3.12Å; Q130-Q134 WeakPolarHBondContact O-CB 3.29Å; Q130-Q134 WeakPolarHBondContact O-CG 3.45Å; Q130-Q134 PolarHBondContact O-N 3.29Å
131L81.7Confident86.7Confident22 Ų2230.7 Ų30.712%0.11517%0.169CC..Hα-helixtrans-63.4-42.9178.7178.964.8000112.6C89 I101 I102 S127 V128 Q134 S135C89-L131 HydrophobicContact CB-CD2 3.7Å; I101-L131 HydrophobicContact CB-CD1 4.17Å; I101-L131 HydrophobicContact CB-CD2 4.12Å; I101-L131 HydrophobicContact CD1-CD1 4.11Å; I101-L131 HydrophobicContact CG2-CD1 4.12Å; I101-L131 HydrophobicContact CG2-CD2 3.42Å; I101-L131 VanDerWaalsContact CG2-CD2 3.42Å; I101-L131 HydrophobicContact CG2-CG 4.39Å; I102-L131 HydrophobicContact CD1-CG 4.4Å; I102-L131 HydrophobicContact CG1-CD2 4.26Å; I102-L131 HydrophobicContact CG1-CG 4.19Å; S127-L131 PolarHBondContact O-N 3.1Å; S127-L131 VanDerWaalsContact O-N 3.11Å; V128-L131 PolarHBondContact O-N 3.19Å; L131-Q134 PolarHBondContact O-N 3.34Å; L131-S135 PolarHBondContact O-N 2.68Å; L131-S135 VanDerWaalsContact O-N 3.14Å; L131-S135 PolarHBondContact O-OG 2.84Å
132L88.4Confident87.3Confident0 Ų029.4 Ų29.40%016%0.16CC..Hα-helixtrans-59.3-51.1174.4-70172.2000110.5C65 V87 I102 C112 I114 V128 A129 Q134 S135 G136 I137 T139C65-L132 HydrophobicContact CB-CD1 3.97Å; V87-L132 HydrophobicContact CG2-CD2 4.13Å; I102-L132 HydrophobicContact CD1-CD2 4.04Å; C112-L132 HydrophobicContact CB-CD1 4.39Å; I114-L132 HydrophobicContact CD1-CD1 4.16Å; I114-L132 HydrophobicContact CG1-CD1 3.97Å; V128-L132 HydrophobicContact CG1-CD1 3.96Å; V128-L132 HydrophobicContact CG1-CG 4.37Å; V128-L132 VanDerWaalsContact O-CG 3.31Å; V128-L132 WeakPolarHBondContact O-CG 3.46Å; V128-L132 PolarHBondContact O-N 2.97Å; A129-L132 PolarHBondContact O-N 3.35Å; L132-Q134 PolarHBondContact O-N 3Å; L132-S135 PolarHBondContact O-N 3.27Å; L132-G136 PolarHBondContact O-N 3.29Å; L132-I137 CarbonylContact C-O 3.45Å; L132-I137 HydrophobicContact CB-CB 4.14Å; L132-I137 HydrophobicContact CB-CG2 4.34Å; L132-I137 HydrophobicContact CD2-CB 4.42Å; L132-I137 HydrophobicContact CD2-CD1 3.81Å; L132-I137 HydrophobicContact CD2-CG2 4.32Å; L132-I137 WeakPolarHBondContact O-CB 3.46Å; L132-I137 PolarHBondContact O-N 2.74Å; L132-T139 HydrophobicContact CB-CG2 4Å; L132-T139 HydrophobicContact CD1-CG2 4.06Å
133R85.9Confident87.8Confident62 Ų6229.3 Ų29.323%0.23416%0.159CC..Hα-helixtrans-59.7-44.7178.6-71169.9-176.1175.9-2.4112A129 Q130 S135 G136 I137 T139 Q159 N160 T430A129-R133 WeakPolarHBondContact O-CB 3.35Å; A129-R133 WeakPolarHBondContact O-CG 3.38Å; A129-R133 PolarHBondContact O-N 2.9Å; Q130-R133 PolarHBondContact O-N 3.12Å; R133-S135 PolarHBondContact O-N 2.9Å; R133-G136 PolarHBondContact O-N 2.85Å; R133-I137 VanDerWaalsContact CA-O 3.26Å; R133-I137 WeakPolarHBondContact CA-O 3.39Å; R133-I137 PolarHBondContact N-O 2.82Å; R133-T139 HydrophobicContact CG-CG2 3.99Å; R133-T139 VanDerWaalsContact CZ-O 3.28Å; R133-T139 PolarHBondContact NE-O 2.82Å; R133-T139 PolarHBondContact NH2-O 2.9Å; R133-Q159 PolarHBondContact NH1-O 2.95Å; R133-Q159 PolarHBondContact NH2-O 3.33Å; R133-N160 PolarHBondContact NH2-O 3.39Å; R133-T430 WeakPolarHBondContact O-CG2 3.48Å
134Q75.4Confident88.5Confident57 Ų5727.3 Ų27.327%0.26615%0.145SC..Hα-helixtrans-57.4-31.7175.5-78.3173.3-4.900112.8Q130 L131 L132 G136Q130-Q134 WeakPolarHBondContact O-CB 3.29Å; Q130-Q134 WeakPolarHBondContact O-CG 3.45Å; Q130-Q134 PolarHBondContact O-N 3.29Å; L131-Q134 PolarHBondContact O-N 3.34Å; L132-Q134 PolarHBondContact O-N 3Å; Q134-G136 VanDerWaalsContact C-N 3.28Å
135S78.5Confident89Confident38 Ų3825.1 Ų25.127%0.26613%0.129SC..THydrogen-bonded Turntrans-85.30.2177.1-54.30000113.2I102 W106 L131 L132 R133I102-S135 VanDerWaalsContact CD1-CB 3.46Å; I102-S135 WeakPolarHBondContact CD1-OG 3.42Å; W106-S135 WeakPolarHBondContact CH2-O 3.28Å; W106-S135 WeakPolarHBondContact CZ3-O 3.36Å; L131-S135 PolarHBondContact O-N 2.68Å; L131-S135 VanDerWaalsContact O-N 3.14Å; L131-S135 PolarHBondContact O-OG 2.84Å; L132-S135 PolarHBondContact O-N 3.27Å; R133-S135 PolarHBondContact O-N 2.9Å
136G82.5Confident89.2Confident19 Ų1925.1 Ų25.120%0.19613%0.129CC..THydrogen-bonded Turntrans84.113.7-177.200000114.1N108 G109 L132 R133 Q134N108-G136 PolarHBondContact OD1-O 3.06Å; G109-G136 PolarHBondContact N-O 2.92Å; L132-G136 PolarHBondContact O-N 3.29Å; R133-G136 PolarHBondContact O-N 2.85Å; Q134-G136 VanDerWaalsContact C-N 3.28Å
137I92.1Very high89.7Confident1 Ų125.6 Ų25.61%0.00513%0.132CC..  trans-90.4125.4171.8-59.3172.4000108.2L63 I102 W106 Q110 C112 L132 R133L63-I137 HydrophobicContact CD1-CD1 4.14Å; L63-I137 HydrophobicContact CD1-CG1 4.49Å; L63-I137 HydrophobicContact CD1-CG2 4.07Å; I102-I137 HydrophobicContact CD1-CD1 4.06Å; W106-I137 HydrophobicContact CB-CD1 4.07Å; W106-I137 HydrophobicContact CD2-CD1 3.71Å; W106-I137 HydrophobicContact CD2-CG1 4.09Å; W106-I137 HydrophobicContact CE3-CD1 3.87Å; W106-I137 HydrophobicContact CE3-CG1 3.69Å; W106-I137 HydrophobicContact CG-CD1 3.79Å; W106-I137 HydrophobicContact CG-CG1 4.5Å; W106-I137 HydrophobicContact CZ3-CG1 4.21Å; Q110-I137 WeakPolarHBondContact O-CG2 3.49Å; C112-I137 HydrophobicContact CB-CG2 3.45Å; C112-I137 VanDerWaalsContact CB-CG2 3.45Å; L132-I137 CarbonylContact C-O 3.45Å; L132-I137 HydrophobicContact CB-CB 4.14Å; L132-I137 HydrophobicContact CB-CG2 4.34Å; L132-I137 HydrophobicContact CD2-CB 4.42Å; L132-I137 HydrophobicContact CD2-CD1 3.81Å; L132-I137 HydrophobicContact CD2-CG2 4.32Å; L132-I137 WeakPolarHBondContact O-CB 3.46Å; L132-I137 PolarHBondContact O-N 2.74Å; R133-I137 VanDerWaalsContact CA-O 3.26Å; R133-I137 WeakPolarHBondContact CA-O 3.39Å; R133-I137 PolarHBondContact N-O 2.82Å
138Y91.6Very high90.2Very high110 Ų11022.6 Ų22.643%0.43111%0.11SC..EExtended strand (participates in β ladder)trans-77.3137177179-107.2000110.3Q110 N111 C112 E140Q110-Y138 PolarHBondContact O-N 2.88Å; N111-Y138 CarbonylContact C-O 3.45Å; N111-Y138 WeakPolarHBondContact CA-O 3.47Å; N111-Y138 HydrophobicContact CB-CD1 4.07Å; N111-Y138 WeakPolarHBondContact OD1-CD1 3.08Å; C112-Y138 PolarHBondContact N-O 2.95Å; Y138-E140 HydrophobicContact CE1-CG 4.23Å; Y138-E140 HydrophobicContact CE2-CG 3.82Å; Y138-E140 VanDerWaalsContact CE2-OE1 3.24Å; Y138-E140 WeakPolarHBondContact CE2-OE1 3.41Å; Y138-E140 PolarHBondContact OH-OE1 2.9Å; Y138-E140 PolarHBondContact OH-OE2 3.45Å
139T93Very high90.4Very high0 Ų025.6 Ų25.60%012%0.123CC..EExtended strand (participates in β ladder)trans-155.5127.6175.7-176.60000110.3C112 I114 A129 L132 R133C112-T139 WeakPolarHBondContact O-CA 3.35Å; C112-T139 WeakPolarHBondContact O-CB 3.36Å; C112-T139 PolarHBondContact O-OG1 3.05Å; I114-T139 HydrophobicContact CD1-CG2 4.38Å; A129-T139 HydrophobicContact CB-CG2 3.91Å; L132-T139 HydrophobicContact CB-CG2 4Å; L132-T139 HydrophobicContact CD1-CG2 4.06Å; R133-T139 HydrophobicContact CG-CG2 3.99Å; R133-T139 VanDerWaalsContact CZ-O 3.28Å; R133-T139 PolarHBondContact NE-O 2.82Å; R133-T139 PolarHBondContact NH2-O 2.9Å
140E92.7Very high90.3Very high70 Ų7026.1 Ų26.133%0.32713%0.125SC..EExtended strand (participates in β ladder)trans-137.84.8179.4-72.3-170.6-177.900113Y138 I161 R162Y138-E140 HydrophobicContact CE1-CG 4.23Å; Y138-E140 HydrophobicContact CE2-CG 3.82Å; Y138-E140 VanDerWaalsContact CE2-OE1 3.24Å; Y138-E140 WeakPolarHBondContact CE2-OE1 3.41Å; Y138-E140 PolarHBondContact OH-OE1 2.9Å; Y138-E140 PolarHBondContact OH-OE2 3.45Å; E140-I161 CarbonylContact O-C 3.52Å; E140-I161 WeakPolarHBondContact O-CA 3.18Å; E140-R162 PolarHBondContact O-N 3.48Å
141H95.5Very high90.6Very high16 Ų1624.9 Ų24.97%0.07413%0.126CC..EExtended strand (participates in β ladder)trans-138.4129.8-176.3-162.5-178.5000110.7P57 I114 I143 R162 T164P57-H141 WeakPolarHBondContact CG-ND1 3.13Å; I114-H141 PolarHBondContact N-O 3.11Å; H141-I143 WeakPolarHBondContact NE2-CD1 3.38Å; H141-R162 WeakPolarHBondContact CA-O 3.36Å; H141-R162 PolarHBondContact CD2-O 3.42Å; H141-R162 VanDerWaalsContact CD2-O 3.28Å; H141-T164 PolarHBondContact NE2-OG1 2.94Å
142A97.3Very high90.8Very high0 Ų023.9 Ų23.90%012%0.12CC..EExtended strand (participates in β ladder)trans-117.2136.7168.600000110.9I114 V125 I144 I161 R162 I163 T164I114-A142 HydrophobicContact CB-CB 4.09Å; I114-A142 CarbonylContact O-C 3.53Å; I114-A142 VanDerWaalsContact O-CA 3.24Å; I114-A142 WeakPolarHBondContact O-CA 3.18Å; V125-A142 HydrophobicContact CG1-CB 3.66Å; A142-I144 HydrophobicContact CB-CD1 3.97Å; A142-I161 HydrophobicContact CB-CG2 3.99Å; A142-R162 PolarHBondContact N-O 2.87Å; A142-I163 WeakPolarHBondContact O-CA 3.44Å; A142-T164 PolarHBondContact O-N 3.03Å
143I97.9Very high90.9Very high0 Ų026 Ų260%013%0.134CC..EExtended strand (participates in β ladder)trans-106.3128.1171.6-57-60.9000108.3L52 L55 L56 V113 I114 I115 E116 H141 T164L52-I143 HydrophobicContact CB-CG2 4.14Å; L52-I143 HydrophobicContact CD2-CG2 3.88Å; L52-I143 HydrophobicContact CG-CG2 4.42Å; L55-I143 HydrophobicContact CB-CD1 4.09Å; L55-I143 HydrophobicContact CB-CG2 4.31Å; L55-I143 HydrophobicContact CD1-CG2 4.3Å; L55-I143 WeakPolarHBondContact O-CD1 3.29Å; L56-I143 HydrophobicContact CD2-CG1 3.99Å; V113-I143 HydrophobicContact CG1-CG1 3.88Å; I114-I143 PolarHBondContact O-N 2.76Å; I115-I143 WeakPolarHBondContact CA-O 3.21Å; I115-I143 HydrophobicContact CD1-CB 3.91Å; I115-I143 HydrophobicContact CD1-CG1 4.37Å; E116-I143 PolarHBondContact N-O 2.83Å; H141-I143 WeakPolarHBondContact NE2-CD1 3.38Å; I143-T164 WeakPolarHBondContact CA-O 3.46Å
144I97.9Very high90.9Very high0 Ų025.6 Ų25.60%014%0.144CC..EExtended strand (participates in β ladder)trans-121.7147.5-172.6-39.3-66000109.5E116 I119 V125 A142 I163 T164 S165 L166E116-I144 HydrophobicContact CB-CD1 3.59Å; E116-I144 HydrophobicContact CG-CD1 4.21Å; E116-I144 WeakPolarHBondContact O-CA 3.48Å; I119-I144 HydrophobicContact CB-CG2 4.12Å; I119-I144 HydrophobicContact CG2-CG1 4.44Å; I119-I144 HydrophobicContact CG2-CG2 3.93Å; V125-I144 HydrophobicContact CG2-CD1 4.14Å; A142-I144 HydrophobicContact CB-CD1 3.97Å; I144-I163 HydrophobicContact CD1-CG2 4.47Å; I144-I163 HydrophobicContact CG1-CG2 3.51Å; I144-T164 PolarHBondContact N-O 3.21Å; I144-S165 CarbonylContact O-C 3.59Å; I144-S165 VanDerWaalsContact O-CA 3.23Å; I144-S165 WeakPolarHBondContact O-CA 3.06Å; I144-L166 PolarHBondContact O-N 3.49Å
145I97.8Very high91.3Very high1 Ų124.3 Ų24.31%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-79.3-55.3173.2-52.7172.4000109.7F10 L35 I48 L52 I74 E116 D117 L166 F167F10-I145 HydrophobicContact CE2-CG2 4.19Å; F10-I145 HydrophobicContact CZ-CG2 3.76Å; L35-I145 HydrophobicContact CD1-CB 3.81Å; L35-I145 HydrophobicContact CD1-CD1 4.04Å; L35-I145 HydrophobicContact CD1-CG1 4.47Å; L35-I145 HydrophobicContact CD1-CG2 3.95Å; L35-I145 HydrophobicContact CD2-CG2 4.32Å; I48-I145 HydrophobicContact CG2-CD1 3.97Å; I48-I145 HydrophobicContact CG2-CG1 4.33Å; I48-I145 HydrophobicContact CG2-CG2 4.48Å; L52-I145 HydrophobicContact CD1-CD1 4.35Å; L52-I145 HydrophobicContact CD1-CG1 3.87Å; L52-I145 HydrophobicContact CD2-CG1 4.21Å; I74-I145 HydrophobicContact CD1-CD1 3.27Å; E116-I145 PolarHBondContact O-N 2.96Å; D117-I145 HydrophobicContact CB-CD1 4.34Å; D117-I145 VanDerWaalsContact O-CB 3.27Å; D117-I145 WeakPolarHBondContact O-CB 3.12Å; D117-I145 PolarHBondContact O-N 3.36Å; I145-L166 HydrophobicContact CG2-CD2 4.29Å; I145-L166 WeakPolarHBondContact O-CB 3.37Å; I145-L166 PolarHBondContact O-N 3.49Å; I145-F167 PolarHBondContact O-N 2.89Å
146I97.7Very high91.7Very high0 Ų022.5 Ų22.50%013%0.125CC..EExtended strand (participates in β ladder)trans-126.6120.9-177.8-61.8172.5000110.9F10 I33 L35 D117 V118 I119 F167 L172F10-I146 HydrophobicContact CD2-CD1 4.34Å; F10-I146 HydrophobicContact CE2-CD1 4.18Å; I33-I146 HydrophobicContact CG2-CD1 3.58Å; L35-I146 HydrophobicContact CD1-CD1 4.15Å; L35-I146 HydrophobicContact CD1-CG1 4.37Å; L35-I146 HydrophobicContact CD2-CD1 4.37Å; L35-I146 HydrophobicContact CG-CD1 4.48Å; D117-I146 PolarHBondContact O-N 3.06Å; V118-I146 WeakPolarHBondContact CA-O 3.4Å; I119-I146 PolarHBondContact N-O 3.35Å; I146-F167 WeakPolarHBondContact CA-O 3.4Å; I146-F167 HydrophobicContact CG1-CB 4.45Å; I146-L172 HydrophobicContact CD1-CD2 3.8Å; I146-L172 HydrophobicContact CG1-CD2 4.5Å
147D96Very high92Very high12 Ų1229.1 Ų29.16%0.06415%0.148CC..EExtended strand (participates in β ladder)trans-88.7118.7164.8-179.913.3000110.7I119 E149 P153 F167 T168 L169I119-D147 HydrophobicContact CG2-CB 3.86Å; I119-D147 WeakPolarHBondContact CG2-OD1 3.43Å; D147-E149 PolarHBondContact O-N 2.74Å; D147-E149 PolarHBondContact OD1-N 3.21Å; D147-P153 WeakPolarHBondContact OD2-CG 3.29Å; D147-F167 PolarHBondContact N-O 2.83Å; D147-T168 CarbonylContact O-C 3.54Å; D147-T168 WeakPolarHBondContact O-CA 3.46Å; D147-L169 WeakPolarHBondContact O-CB 3.33Å; D147-L169 PolarHBondContact O-N 2.93Å
148R93.5Very high91.3Very high7 Ų735 Ų353%0.02618%0.179CC..  trans-73.6-5.3176.5-69.7-175.554.9109.81.4113.8S29 I31 V118 I119 T120 Q150 L169 L194S29-R148 PolarHBondContact OG-NH2 3.48Å; I31-R148 PolarHBondContact O-NH1 3Å; I31-R148 VanDerWaalsContact O-NH1 3.15Å; V118-R148 HydrophobicContact CG1-CG 3.7Å; I119-R148 VanDerWaalsContact O-CB 3.3Å; I119-R148 WeakPolarHBondContact O-CB 3.47Å; I119-R148 PolarHBondContact O-N 2.92Å; T120-R148 WeakPolarHBondContact OG1-CD 3.42Å; R148-Q150 HydrophobicContact CB-CG 4.22Å; R148-Q150 WeakPolarHBondContact O-CG 3.22Å; R148-Q150 PolarHBondContact O-N 3.4Å; R148-L169 HydrophobicContact CG-CD2 4.42Å; R148-L194 WeakPolarHBondContact O-CD2 3.49Å
149E92.3Very high90.8Very high74 Ų7431.5 Ų31.535%0.34617%0.167SC..  trans63.425.2179.3-62.3172.1115.600113.3D147 G151 T168 L169 T170D147-E149 PolarHBondContact O-N 2.74Å; D147-E149 PolarHBondContact OD1-N 3.21Å; E149-G151 PolarHBondContact O-N 2.89Å; E149-T168 HydrophobicContact CG-CG2 4.34Å; E149-T168 WeakPolarHBondContact OE1-CB 3.07Å; E149-T168 PolarHBondContact OE1-OG1 3.31Å; E149-T168 PolarHBondContact OE2-OG1 3.48Å; E149-L169 PolarHBondContact OE2-N 3.45Å; E149-T170 WeakPolarHBondContact OE2-CB 3.38Å; E149-T170 PolarHBondContact OE2-N 3.44Å; E149-T170 PolarHBondContact OE2-OG1 3.49Å
150Q87.9Confident90.5Very high11 Ų1137 Ų375%0.05120%0.196CC..SBendtrans-101.944.6179.6-59.6-173.9-90.300110.6T120 R148 G152 L194 P200T120-Q150 HydrophobicContact CG2-CB 3.98Å; T120-Q150 HydrophobicContact CG2-CG 4.49Å; T120-Q150 CarbonylContact O-C 3.07Å; T120-Q150 VanDerWaalsContact O-O 3.06Å; R148-Q150 HydrophobicContact CB-CG 4.22Å; R148-Q150 WeakPolarHBondContact O-CG 3.22Å; R148-Q150 PolarHBondContact O-N 3.4Å; Q150-G152 PolarHBondContact O-N 2.87Å; Q150-L194 HydrophobicContact CG-CD2 4.02Å; Q150-P200 HydrophobicContact CB-CG 3.84Å; Q150-P200 WeakPolarHBondContact O-CD 3.31Å; Q150-P200 WeakPolarHBondContact O-CG 3.31Å
151G86.2Confident90.4Very high23 Ų2333.8 Ų33.824%0.23718%0.181CC..SBendtrans83.6-7.4171.500000117.4E149 A154 Y155E149-G151 PolarHBondContact O-N 2.89Å; G151-A154 PolarHBondContact O-N 2.84Å; G151-Y155 PolarHBondContact O-N 3.34Å; G151-Y155 VanDerWaalsContact O-N 3.16Å
152G87.7Confident90.3Very high0 Ų040 Ų400%020%0.204CC..Hα-helixtrans-50.9-48.2177.800000115.5T120 Q150 A154 Y155 L156T120-G152 WeakPolarHBondContact O-CA 3.45Å; T120-G152 PolarHBondContact O-N 3.34Å; Q150-G152 PolarHBondContact O-N 2.87Å; G152-A154 PolarHBondContact O-N 2.95Å; G152-Y155 PolarHBondContact O-N 3.09Å; G152-L156 PolarHBondContact O-N 3.47Å
153P90.3Very high90.2Very high45 Ų4541.6 Ų41.629%0.29221%0.212SC..Hα-helixtrans-59.2-41.8177.2-26.133.4000115D147 K157 I163D147-P153 WeakPolarHBondContact OD2-CG 3.29Å; P153-K157 WeakPolarHBondContact O-CB 3.47Å; P153-K157 PolarHBondContact O-N 3.15Å; P153-I163 HydrophobicContact CB-CD1 4.17Å; P153-I163 HydrophobicContact CG-CD1 4.26Å
154A86Confident90.1Very high54 Ų5443.7 Ų43.745%0.44623%0.226SC..Hα-helixtrans-65.6-46.4178.800000110.9G151 G152 L156 K157 D158G151-A154 PolarHBondContact O-N 2.84Å; G152-A154 PolarHBondContact O-N 2.95Å; A154-L156 PolarHBondContact O-N 3.46Å; A154-K157 WeakPolarHBondContact O-CB 3.21Å; A154-K157 PolarHBondContact O-N 3.16Å; A154-D158 PolarHBondContact O-N 3.08Å; A154-D158 VanDerWaalsContact O-N 3.15Å
155Y82.5Confident90.1Very high30 Ų3045.1 Ų45.112%0.11824%0.236CC..Hα-helixtrans-59.7-47.1177.7170-115.1000112.6S121 C126 G151 G152 K157 D158 Q159 V202S121-Y155 WeakPolarHBondContact O-CD1 3.09Å; C126-Y155 HydrophobicContact CB-CE1 3.69Å; C126-Y155 PolarHBondContact SG-OH 2.61Å; C126-Y155 VanDerWaalsContact SG-OH 3.35Å; G151-Y155 PolarHBondContact O-N 3.34Å; G151-Y155 VanDerWaalsContact O-N 3.16Å; G152-Y155 PolarHBondContact O-N 3.09Å; Y155-K157 VanDerWaalsContact C-N 3.32Å; Y155-K157 PolarHBondContact O-N 3.2Å; Y155-D158 WeakPolarHBondContact O-CB 3.43Å; Y155-D158 PolarHBondContact O-N 3.25Å; Y155-Q159 HydrophobicContact CD2-CG 4.45Å; Y155-Q159 HydrophobicContact CE2-CG 4.01Å; Y155-Q159 WeakPolarHBondContact O-CG 3.3Å; Y155-Q159 PolarHBondContact O-N 2.73Å; Y155-V202 HydrophobicContact CD2-CB 4.35Å; Y155-V202 HydrophobicContact CD2-CG1 3.37Å; Y155-V202 HydrophobicContact CD2-CG2 4.09Å; Y155-V202 HydrophobicContact CE2-CG1 3.37Å; Y155-V202 HydrophobicContact CG-CG1 4.32Å; Y155-V202 HydrophobicContact CG-CG2 4.45Å
156L87.4Confident90Very high0 Ų045.7 Ų45.70%024%0.239CC..Hα-helixtrans-69.1-31.7-179.4-76.5175.3000112.5I119 V125 C126 G152 A154 D158 Q159 N160 I161 I163I119-L156 HydrophobicContact CD1-CD1 3.34Å; I119-L156 HydrophobicContact CD1-CG 4.38Å; V125-L156 HydrophobicContact CB-CD1 3.81Å; V125-L156 HydrophobicContact CB-CD2 4.11Å; V125-L156 HydrophobicContact CG1-CD1 3.75Å; V125-L156 HydrophobicContact CG1-CD2 3.96Å; V125-L156 HydrophobicContact CG2-CD1 4.34Å; C126-L156 HydrophobicContact CB-CD2 3.76Å; G152-L156 PolarHBondContact O-N 3.47Å; A154-L156 PolarHBondContact O-N 3.46Å; L156-D158 VanDerWaalsContact C-N 3.33Å; L156-D158 PolarHBondContact O-N 3.06Å; L156-Q159 CarbonylContact O-C 3.51Å; L156-Q159 WeakPolarHBondContact O-CA 3.36Å; L156-Q159 PolarHBondContact O-N 3Å; L156-N160 PolarHBondContact O-N 2.84Å; L156-I161 CarbonylContact C-O 3.51Å; L156-I161 VanDerWaalsContact C-O 3.25Å; L156-I161 HydrophobicContact CB-CB 4.11Å; L156-I161 HydrophobicContact CB-CG2 4.4Å; L156-I161 HydrophobicContact CD2-CB 4.3Å; L156-I161 HydrophobicContact CD2-CD1 3.68Å; L156-I161 HydrophobicContact CD2-CG2 4.47Å; L156-I161 WeakPolarHBondContact O-CA 3.39Å; L156-I161 WeakPolarHBondContact O-CB 3.43Å; L156-I161 PolarHBondContact O-N 3.23Å; L156-I163 HydrophobicContact CB-CD1 3.94Å; L156-I163 HydrophobicContact CB-CG1 4.26Å; L156-I163 HydrophobicContact CD1-CD1 3.37Å; L156-I163 HydrophobicContact CD1-CG1 3.99Å; L156-I163 HydrophobicContact CG-CD1 4.23Å
157K88.1Confident90Very high157 Ų15745.7 Ų45.768%0.68324%0.239SC*.Hα-helixtrans-59.4-43.8170.9-175.3-178.9177.2-176.40111.5P153 A154 Y155 Q159 N160 I161P153-K157 WeakPolarHBondContact O-CB 3.47Å; P153-K157 PolarHBondContact O-N 3.15Å; A154-K157 WeakPolarHBondContact O-CB 3.21Å; A154-K157 PolarHBondContact O-N 3.16Å; Y155-K157 VanDerWaalsContact C-N 3.32Å; Y155-K157 PolarHBondContact O-N 3.2Å; K157-Q159 PolarHBondContact O-N 3.47Å; K157-N160 WeakPolarHBondContact O-CA 3.19Å; K157-N160 PolarHBondContact O-N 2.96Å; K157-I161 PolarHBondContact N-O 3.18Å
158D78.9Confident90.1Very high124 Ų12446.3 Ų46.366%0.66324%0.243SC*.Hα-helixtrans-63.9-24175.4-64.7-17.1000112.3A154 Y155 L156 N160A154-D158 PolarHBondContact O-N 3.08Å; A154-D158 VanDerWaalsContact O-N 3.15Å; Y155-D158 WeakPolarHBondContact O-CB 3.43Å; Y155-D158 PolarHBondContact O-N 3.25Å; L156-D158 VanDerWaalsContact C-N 3.33Å; L156-D158 PolarHBondContact O-N 3.06Å; D158-N160 VanDerWaalsContact C-N 3.3Å
159Q80.2Confident90.2Very high38 Ų3846 Ų4618%0.17824%0.242CC..THydrogen-bonded Turntrans-89.813.5173.1-58-60.2-58.200113.4R133 Y155 L156 K157 I161R133-Q159 PolarHBondContact NH1-O 2.95Å; R133-Q159 PolarHBondContact NH2-O 3.33Å; Y155-Q159 HydrophobicContact CD2-CG 4.45Å; Y155-Q159 HydrophobicContact CE2-CG 4.01Å; Y155-Q159 WeakPolarHBondContact O-CG 3.3Å; Y155-Q159 PolarHBondContact O-N 2.73Å; L156-Q159 CarbonylContact O-C 3.51Å; L156-Q159 WeakPolarHBondContact O-CA 3.36Å; L156-Q159 PolarHBondContact O-N 3Å; K157-Q159 PolarHBondContact O-N 3.47Å; Q159-I161 VanDerWaalsContact C-N 3.34Å; Q159-I161 HydrophobicContact CB-CD1 4.17Å; Q159-I161 PolarHBondContact O-N 3.09Å
160N87.6Confident90.4Very high115 Ų11544 Ų4462%0.61524%0.235SC*.THydrogen-bonded Turntrans56.942.3-175.7-59.6-56.7000113.1R133 L156 K157 D158R133-N160 PolarHBondContact NH2-O 3.39Å; L156-N160 PolarHBondContact O-N 2.84Å; K157-N160 WeakPolarHBondContact O-CA 3.19Å; K157-N160 PolarHBondContact O-N 2.96Å; D158-N160 VanDerWaalsContact C-N 3.3Å
161I89.9Confident90.9Very high2 Ų246.4 Ų46.41%0.0125%0.246CC..  trans-124.3109.7176-60.2159.4000107.8V125 A129 E140 A142 L156 K157 Q159V125-I161 HydrophobicContact CG1-CG2 4.22Å; A129-I161 HydrophobicContact CB-CD1 3.33Å; A129-I161 HydrophobicContact CB-CG1 4.18Å; E140-I161 CarbonylContact O-C 3.52Å; E140-I161 WeakPolarHBondContact O-CA 3.18Å; A142-I161 HydrophobicContact CB-CG2 3.99Å; L156-I161 CarbonylContact C-O 3.51Å; L156-I161 VanDerWaalsContact C-O 3.25Å; L156-I161 HydrophobicContact CB-CB 4.11Å; L156-I161 HydrophobicContact CB-CG2 4.4Å; L156-I161 HydrophobicContact CD2-CB 4.3Å; L156-I161 HydrophobicContact CD2-CD1 3.68Å; L156-I161 HydrophobicContact CD2-CG2 4.47Å; L156-I161 WeakPolarHBondContact O-CA 3.39Å; L156-I161 WeakPolarHBondContact O-CB 3.43Å; L156-I161 PolarHBondContact O-N 3.23Å; K157-I161 PolarHBondContact N-O 3.18Å; Q159-I161 VanDerWaalsContact C-N 3.34Å; Q159-I161 HydrophobicContact CB-CD1 4.17Å; Q159-I161 PolarHBondContact O-N 3.09Å
162R93.1Very high91.4Very high146 Ų14645.3 Ų45.355%0.55124%0.235SC*.EExtended strand (participates in β ladder)trans-71.9144.2171.4-155.9-171.5-43.7117.38.2109.2E140 H141 A142E140-R162 PolarHBondContact O-N 3.48Å; H141-R162 WeakPolarHBondContact CA-O 3.36Å; H141-R162 PolarHBondContact CD2-O 3.42Å; H141-R162 VanDerWaalsContact CD2-O 3.28Å; A142-R162 PolarHBondContact N-O 2.87Å
163I94.8Very high91.9Very high34 Ų3445.3 Ų45.317%0.17424%0.235CC..EExtended strand (participates in β ladder)trans-117.6140.3175.7-60.8-178000110.2I119 A142 I144 P153 L156I119-I163 HydrophobicContact CD1-CD1 3.6Å; A142-I163 WeakPolarHBondContact O-CA 3.44Å; I144-I163 HydrophobicContact CD1-CG2 4.47Å; I144-I163 HydrophobicContact CG1-CG2 3.51Å; P153-I163 HydrophobicContact CB-CD1 4.17Å; P153-I163 HydrophobicContact CG-CD1 4.26Å; L156-I163 HydrophobicContact CB-CD1 3.94Å; L156-I163 HydrophobicContact CB-CG1 4.26Å; L156-I163 HydrophobicContact CD1-CD1 3.37Å; L156-I163 HydrophobicContact CD1-CG1 3.99Å; L156-I163 HydrophobicContact CG-CD1 4.23Å
164T96.2Very high92.3Very high45 Ų4547.3 Ų47.328%0.27624%0.24SC..EExtended strand (participates in β ladder)trans-125.2122.3159-46.80000108.6L55 H141 A142 I143 I144L55-T164 HydrophobicContact CB-CG2 4.09Å; L55-T164 HydrophobicContact CD1-CG2 4.22Å; L55-T164 HydrophobicContact CD2-CG2 4.06Å; L55-T164 HydrophobicContact CG-CG2 4.35Å; H141-T164 PolarHBondContact NE2-OG1 2.94Å; A142-T164 PolarHBondContact O-N 3.03Å; I143-T164 WeakPolarHBondContact CA-O 3.46Å; I144-T164 PolarHBondContact N-O 3.21Å
165S97.1Very high92.8Very high30 Ų3045.8 Ų45.821%0.2122%0.224CC..EExtended strand (participates in β ladder)trans-102.5149.4176.553.10000111.7I144I144-S165 CarbonylContact O-C 3.59Å; I144-S165 VanDerWaalsContact O-CA 3.23Å; I144-S165 WeakPolarHBondContact O-CA 3.06Å
166L97.1Very high93.5Very high13 Ų1344.3 Ų44.37%0.06822%0.218CC..EExtended strand (participates in β ladder)trans-75.5-31.8171.7-178.963.5000111.8R3 I6 I48 L52 L55 I144 I145R3-L166 PolarHBondContact NE-O 3.32Å; R3-L166 PolarHBondContact NH2-O 3.15Å; I6-L166 HydrophobicContact CD1-CD2 4.47Å; I48-L166 HydrophobicContact CD1-CD2 4.4Å; L52-L166 HydrophobicContact CD2-CB 3.82Å; L52-L166 HydrophobicContact CD2-CD2 4.16Å; L52-L166 HydrophobicContact CD2-CG 4.48Å; L55-L166 HydrophobicContact CD1-CB 4.2Å; L55-L166 HydrophobicContact CD1-CD1 4.34Å; I144-L166 PolarHBondContact O-N 3.49Å; I145-L166 HydrophobicContact CG2-CD2 4.29Å; I145-L166 WeakPolarHBondContact O-CB 3.37Å; I145-L166 PolarHBondContact O-N 3.49Å
167F97.8Very high94Very high0 Ų047.2 Ų47.20%023%0.232CC..EExtended strand (participates in β ladder)trans-142.6143171.8-70-80.7000110.2R3 I6 F10 I145 I146 D147 E171 L172 I175R3-F167 HydrophobicContact CB-CE1 3.83Å; R3-F167 HydrophobicContact CB-CZ 3.82Å; R3-F167 HydrophobicContact CG-CE1 4.37Å; R3-F167 HydrophobicContact CG-CZ 4.28Å; R3-F167 WeakPolarHBondContact O-CZ 3.27Å; I6-F167 HydrophobicContact CB-CE2 4.13Å; I6-F167 HydrophobicContact CB-CZ 4.13Å; I6-F167 HydrophobicContact CG2-CE2 3.63Å; I6-F167 HydrophobicContact CG2-CZ 4.13Å; F10-F167 HydrophobicContact CE2-CD2 4.07Å; F10-F167 HydrophobicContact CE2-CE2 4.06Å; I145-F167 PolarHBondContact O-N 2.89Å; I146-F167 WeakPolarHBondContact CA-O 3.4Å; I146-F167 HydrophobicContact CG1-CB 4.45Å; D147-F167 PolarHBondContact N-O 2.83Å; F167-E171 HydrophobicContact CD1-CB 4.5Å; F167-L172 HydrophobicContact CB-CB 4.38Å; F167-L172 HydrophobicContact CD1-CB 4.46Å; F167-I175 HydrophobicContact CE1-CD1 3.83Å
168T97Very high94.4Very high25 Ų2546.3 Ų46.315%0.15323%0.23CC..EExtended strand (participates in β ladder)trans-81.7158.8148.5820000110D147 E149 T170 E171 L172D147-T168 CarbonylContact O-C 3.54Å; D147-T168 WeakPolarHBondContact O-CA 3.46Å; E149-T168 HydrophobicContact CG-CG2 4.34Å; E149-T168 WeakPolarHBondContact OE1-CB 3.07Å; E149-T168 PolarHBondContact OE1-OG1 3.31Å; E149-T168 PolarHBondContact OE2-OG1 3.48Å; T168-T170 VanDerWaalsContact C-N 3.28Å; T168-T170 PolarHBondContact O-N 3.35Å; T168-E171 PolarHBondContact N-OE2 3.11Å; T168-E171 PolarHBondContact O-N 2.84Å; T168-E171 WeakPolarHBondContact OG1-CG 3.42Å; T168-E171 PolarHBondContact OG1-N 2.89Å; T168-L172 PolarHBondContact O-N 2.88Å
169L96.6Very high95.2Very high0 Ų044.6 Ų44.60%022%0.218CC..Hα-helixtrans-65-36.9179.8-176.358000111.1I31 I33 D147 R148 E149 L172 L173 L194I31-L169 HydrophobicContact CD1-CD1 3.98Å; I31-L169 HydrophobicContact CG2-CD2 4.19Å; I33-L169 HydrophobicContact CD1-CD1 4.07Å; I33-L169 HydrophobicContact CG1-CD1 4.39Å; D147-L169 WeakPolarHBondContact O-CB 3.33Å; D147-L169 PolarHBondContact O-N 2.93Å; R148-L169 HydrophobicContact CG-CD2 4.42Å; E149-L169 PolarHBondContact OE2-N 3.45Å; L169-L172 HydrophobicContact CD1-CD2 4.36Å; L169-L172 PolarHBondContact O-N 3.09Å; L169-L173 HydrophobicContact CD1-CD1 4.43Å; L169-L173 HydrophobicContact CD1-CG 4.36Å; L169-L173 HydrophobicContact CG-CD1 4.06Å; L169-L173 HydrophobicContact CG-CG 4.47Å; L169-L173 WeakPolarHBondContact O-CB 3.46Å; L169-L173 VanDerWaalsContact O-CG 3.22Å; L169-L173 WeakPolarHBondContact O-CG 3.41Å; L169-L173 PolarHBondContact O-N 3.43Å; L169-L194 HydrophobicContact CB-CD1 4.37Å; L169-L194 HydrophobicContact CD2-CD1 4.1Å; L169-L194 HydrophobicContact CD2-CD2 4.12Å; L169-L194 HydrophobicContact CG-CD1 4.27Å
170T96.5Very high96Very high33 Ų3349.7 Ų49.720%0.20225%0.246CC..Hα-helixtrans-60.1-50.6173-57.90000111.4E149 T168 L172 L173 E174 I191E149-T170 WeakPolarHBondContact OE2-CB 3.38Å; E149-T170 PolarHBondContact OE2-N 3.44Å; E149-T170 PolarHBondContact OE2-OG1 3.49Å; T168-T170 VanDerWaalsContact C-N 3.28Å; T168-T170 PolarHBondContact O-N 3.35Å; T170-L172 VanDerWaalsContact C-N 3.27Å; T170-L172 PolarHBondContact O-N 3.23Å; T170-L173 PolarHBondContact O-N 3.38Å; T170-L173 VanDerWaalsContact O-N 3.12Å; T170-E174 HydrophobicContact CG2-CG 4.4Å; T170-E174 WeakPolarHBondContact O-CG 3.41Å; T170-E174 PolarHBondContact O-N 2.94Å; T170-I191 HydrophobicContact CG2-CD1 4Å
171E97.4Very high96.4Very high60 Ų6048.6 Ų48.628%0.2823%0.234SC..Hα-helixtrans-57.9-40.9177.4-72.3177.4130.400111.9R3 F167 T168 I175R3-E171 IonicContact CZ-OE1 3.86Å; R3-E171 IonicContact CZ-OE2 3.89Å; R3-E171 IonicContact NH1-OE1 3.72Å; R3-E171 PolarHBondContact NH1-OE1 3.28Å; R3-E171 IonicContact NH1-OE2 3.66Å; R3-E171 VanDerWaalsContact NH2-CD 3.27Å; R3-E171 IonicContact NH2-OE1 3.63Å; R3-E171 PolarHBondContact NH2-OE1 3.06Å; R3-E171 IonicContact NH2-OE2 3.47Å; R3-E171 PolarHBondContact NH2-OE2 2.92Å; F167-E171 HydrophobicContact CD1-CB 4.5Å; T168-E171 PolarHBondContact N-OE2 3.11Å; T168-E171 PolarHBondContact O-N 2.84Å; T168-E171 WeakPolarHBondContact OG1-CG 3.42Å; T168-E171 PolarHBondContact OG1-N 2.89Å; E171-I175 WeakPolarHBondContact O-CG1 3.34Å; E171-I175 PolarHBondContact O-N 3.44Å
172L97.8Very high96.7Very high1 Ų148.9 Ų48.91%0.00524%0.235CC..Hα-helixtrans-63.2-45177.417960.2000111.4A7 F10 V16 I146 F167 T168 L169 T170 L176A7-L172 HydrophobicContact CB-CD1 3.53Å; F10-L172 HydrophobicContact CD2-CD1 4.18Å; V16-L172 HydrophobicContact CG2-CD2 3.89Å; I146-L172 HydrophobicContact CD1-CD2 3.8Å; I146-L172 HydrophobicContact CG1-CD2 4.5Å; F167-L172 HydrophobicContact CB-CB 4.38Å; F167-L172 HydrophobicContact CD1-CB 4.46Å; T168-L172 PolarHBondContact O-N 2.88Å; L169-L172 HydrophobicContact CD1-CD2 4.36Å; L169-L172 PolarHBondContact O-N 3.09Å; T170-L172 VanDerWaalsContact C-N 3.27Å; T170-L172 PolarHBondContact O-N 3.23Å; L172-L176 HydrophobicContact CD1-CD1 4.36Å; L172-L176 HydrophobicContact CG-CD1 4.28Å; L172-L176 VanDerWaalsContact O-CG 3.28Å; L172-L176 WeakPolarHBondContact O-CG 3.37Å; L172-L176 PolarHBondContact O-N 3.43Å; L172-L176 VanDerWaalsContact O-N 3.16Å
173L97.7Very high96.9Very high0 Ų045.4 Ų45.40%023%0.23CC..Hα-helixtrans-67.2-39.7179.7-71.1168.3000112.5F18 I31 L169 T170 I175 L176 H177 I182 F187 T190 I191F18-L173 HydrophobicContact CE1-CD2 4.21Å; F18-L173 HydrophobicContact CZ-CD2 3.86Å; I31-L173 HydrophobicContact CD1-CD2 3.89Å; L169-L173 HydrophobicContact CD1-CD1 4.43Å; L169-L173 HydrophobicContact CD1-CG 4.36Å; L169-L173 HydrophobicContact CG-CD1 4.06Å; L169-L173 HydrophobicContact CG-CG 4.47Å; L169-L173 WeakPolarHBondContact O-CB 3.46Å; L169-L173 VanDerWaalsContact O-CG 3.22Å; L169-L173 WeakPolarHBondContact O-CG 3.41Å; L169-L173 PolarHBondContact O-N 3.43Å; T170-L173 PolarHBondContact O-N 3.38Å; T170-L173 VanDerWaalsContact O-N 3.12Å; L173-I175 VanDerWaalsContact C-N 3.35Å; L173-I175 PolarHBondContact O-N 2.84Å; L173-L176 PolarHBondContact O-N 3.24Å; L173-H177 WeakPolarHBondContact O-CB 3.24Å; L173-H177 PolarHBondContact O-N 2.73Å; L173-I182 HydrophobicContact CB-CD1 4.38Å; L173-I182 HydrophobicContact CD2-CD1 3.78Å; L173-F187 HydrophobicContact CB-CD2 3.86Å; L173-F187 HydrophobicContact CB-CE2 3.92Å; L173-T190 HydrophobicContact CD1-CG2 3.45Å; L173-T190 VanDerWaalsContact CD1-CG2 3.45Å; L173-I191 HydrophobicContact CD1-CD1 4.22Å
174E97.8Very high97Very high86 Ų8650.3 Ų50.340%0.40225%0.25SS..Hα-helixtrans-59-46.4177.6-75.7176.1169.500111.3T170 H177 Q178 F187T170-E174 HydrophobicContact CG2-CG 4.4Å; T170-E174 WeakPolarHBondContact O-CG 3.41Å; T170-E174 PolarHBondContact O-N 2.94Å; E174-H177 PolarHBondContact O-N 3.42Å; E174-Q178 WeakPolarHBondContact O-CB 3.32Å; E174-Q178 VanDerWaalsContact O-CG 3.26Å; E174-Q178 WeakPolarHBondContact O-CG 3.39Å; E174-Q178 PolarHBondContact O-N 3.24Å; E174-F187 HydrophobicContact CG-CE2 3.99Å; E174-F187 HydrophobicContact CG-CZ 4.17Å
175I97.7Very high97Very high22 Ų2255.4 Ų55.411%0.11327%0.271CS..Hα-helixtrans-64.2-45.1177.8-60.7164.8000110.7R3 A7 F167 E171 L173 H177 Q178 E179R3-I175 HydrophobicContact CB-CD1 4.49Å; A7-I175 HydrophobicContact CB-CB 4.1Å; A7-I175 HydrophobicContact CB-CD1 4.17Å; A7-I175 HydrophobicContact CB-CG2 3.84Å; F167-I175 HydrophobicContact CE1-CD1 3.83Å; E171-I175 WeakPolarHBondContact O-CG1 3.34Å; E171-I175 PolarHBondContact O-N 3.44Å; L173-I175 VanDerWaalsContact C-N 3.35Å; L173-I175 PolarHBondContact O-N 2.84Å; I175-H177 VanDerWaalsContact C-N 3.26Å; I175-H177 PolarHBondContact O-N 3.16Å; I175-Q178 PolarHBondContact O-N 2.97Å; I175-E179 HydrophobicContact CG2-CG 4.35Å; I175-E179 WeakPolarHBondContact O-CB 3.21Å; I175-E179 WeakPolarHBondContact O-CG 3.38Å; I175-E179 PolarHBondContact O-N 3.14Å
176L97.9Very high97Very high0 Ų056.3 Ų56.30%027%0.272CS..Hα-helixtrans-62.9-33.8178.5-69.1177.7000112.7A7 L8 Y11 V16 L172 L173 N180 R181 I182A7-L176 WeakPolarHBondContact O-CD2 3.39Å; L8-L176 HydrophobicContact CD2-CD2 4.33Å; Y11-L176 HydrophobicContact CD2-CD1 4.16Å; Y11-L176 HydrophobicContact CD2-CD2 4.4Å; Y11-L176 HydrophobicContact CG-CD2 4.12Å; V16-L176 HydrophobicContact CB-CD1 4.5Å; V16-L176 HydrophobicContact CG1-CD1 4.3Å; V16-L176 HydrophobicContact CG2-CD1 4.19Å; L172-L176 HydrophobicContact CD1-CD1 4.36Å; L172-L176 HydrophobicContact CG-CD1 4.28Å; L172-L176 VanDerWaalsContact O-CG 3.28Å; L172-L176 WeakPolarHBondContact O-CG 3.37Å; L172-L176 PolarHBondContact O-N 3.43Å; L172-L176 VanDerWaalsContact O-N 3.16Å; L173-L176 PolarHBondContact O-N 3.24Å; L176-N180 PolarHBondContact O-N 2.96Å; L176-R181 HydrophobicContact CB-CB 4.35Å; L176-R181 HydrophobicContact CD2-CB 4.01Å; L176-R181 HydrophobicContact CD2-CG 4.32Å; L176-R181 PolarHBondContact O-N 3.32Å; L176-I182 HydrophobicContact CB-CD1 3.98Å; L176-I182 HydrophobicContact CB-CG1 3.99Å; L176-I182 HydrophobicContact CB-CG2 4.13Å; L176-I182 HydrophobicContact CD1-CG2 4.44Å; L176-I182 PolarHBondContact O-N 3.32Å
177H97.3Very high97Very high61 Ų6157.3 Ų57.328%0.28228%0.276SS..Hα-helixtrans-72.5-46.2176.9-174.651.1000111.6L173 E174 I175 E179 N180 I182 F187L173-H177 WeakPolarHBondContact O-CB 3.24Å; L173-H177 PolarHBondContact O-N 2.73Å; E174-H177 PolarHBondContact O-N 3.42Å; I175-H177 VanDerWaalsContact C-N 3.26Å; I175-H177 PolarHBondContact O-N 3.16Å; H177-E179 PolarHBondContact O-N 3.23Å; H177-N180 PolarHBondContact O-N 3.06Å; H177-I182 HydrophobicContact CB-CD1 4.19Å; H177-I182 HydrophobicContact CB-CG1 3.99Å; H177-F187 HydrophobicContact CB-CD2 3.87Å; H177-F187 HydrophobicContact CB-CE2 4.43Å; H177-F187 HydrophobicContact CB-CG 4.37Å
178Q96.8Very high97Very high137 Ų13761 Ų6164%0.6430%0.296SS*.Hα-helixtrans-58.7-36.9177.3-73.3172.69.900112.2E174 I175 N180E174-Q178 WeakPolarHBondContact O-CB 3.32Å; E174-Q178 VanDerWaalsContact O-CG 3.26Å; E174-Q178 WeakPolarHBondContact O-CG 3.39Å; E174-Q178 PolarHBondContact O-N 3.24Å; I175-Q178 PolarHBondContact O-N 2.97Å; Q178-N180 VanDerWaalsContact C-N 3.28Å; Q178-N180 PolarHBondContact O-N 3.47Å
179E96Very high96.9Very high88 Ų8864.8 Ų64.841%0.41131%0.311SS..THydrogen-bonded Turntrans-88.513.3178.4-63.4-69.2163.400113.7L8 I175 H177 R181L8-E179 HydrophobicContact CD1-CG 4.24Å; L8-E179 HydrophobicContact CD2-CB 3.6Å; L8-E179 HydrophobicContact CD2-CG 3.97Å; L8-E179 HydrophobicContact CG-CG 4.38Å; I175-E179 HydrophobicContact CG2-CG 4.35Å; I175-E179 WeakPolarHBondContact O-CB 3.21Å; I175-E179 WeakPolarHBondContact O-CG 3.38Å; I175-E179 PolarHBondContact O-N 3.14Å; H177-E179 PolarHBondContact O-N 3.23Å; E179-R181 PolarHBondContact O-N 2.93Å; E179-R181 VanDerWaalsContact O-N 3.15Å
180N95.1Very high96.8Very high145 Ų14564.8 Ų64.878%0.77531%0.311SS*.THydrogen-bonded Turntrans55.528.4177.6-56.6-75.4000114.9L176 H177 Q178L176-N180 PolarHBondContact O-N 2.96Å; H177-N180 PolarHBondContact O-N 3.06Å; Q178-N180 VanDerWaalsContact C-N 3.28Å; Q178-N180 PolarHBondContact O-N 3.47Å
181R96.1Very high96.8Very high93 Ų9364.7 Ų64.735%0.35131%0.309SS..SBendtrans-82.8-26174.3-74-61.3-168.2-860.6113.1L8 Y11 D12 L176 E179L8-R181 HydrophobicContact CD2-CG 3.52Å; Y11-R181 HydrophobicContact CD1-CB 3.9Å; Y11-R181 HydrophobicContact CD1-CG 4.02Å; Y11-R181 HydrophobicContact CD2-CB 4.33Å; Y11-R181 HydrophobicContact CE1-CB 4.04Å; Y11-R181 HydrophobicContact CE1-CG 4.4Å; Y11-R181 HydrophobicContact CE2-CB 4.45Å; Y11-R181 WeakPolarHBondContact CE2-O 3.31Å; Y11-R181 HydrophobicContact CG-CB 4.05Å; Y11-R181 HydrophobicContact CG-CG 4.43Å; Y11-R181 PolarHBondContact OH-O 3.44Å; D12-R181 IonicContact OD1-CZ 2.85Å; D12-R181 IonicContact OD1-NE 2.75Å; D12-R181 PolarHBondContact OD1-NE 3.06Å; D12-R181 IonicContact OD1-NH2 3.61Å; D12-R181 IonicContact OD2-NE 3.89Å; D12-R181 IonicContact OD2-NH2 2.84Å; L176-R181 HydrophobicContact CB-CB 4.35Å; L176-R181 HydrophobicContact CD2-CB 4.01Å; L176-R181 HydrophobicContact CD2-CG 4.32Å; L176-R181 PolarHBondContact O-N 3.32Å; E179-R181 PolarHBondContact O-N 2.93Å; E179-R181 VanDerWaalsContact O-N 3.15Å
182I97Very high96.6Very high7 Ų767.5 Ų67.54%0.03633%0.326CS..SBendtrans-123.7146.3176.963.3175000110.5Y11 F18 L173 L176 H177 Q186 F187Y11-I182 HydrophobicContact CD2-CG2 4.03Å; Y11-I182 HydrophobicContact CE2-CG2 3.63Å; F18-I182 HydrophobicContact CD2-CG2 4.42Å; F18-I182 HydrophobicContact CE2-CB 4.38Å; F18-I182 HydrophobicContact CE2-CG2 3.39Å; F18-I182 HydrophobicContact CZ-CB 4.3Å; F18-I182 HydrophobicContact CZ-CD1 4.27Å; F18-I182 HydrophobicContact CZ-CG2 3.61Å; L173-I182 HydrophobicContact CB-CD1 4.38Å; L173-I182 HydrophobicContact CD2-CD1 3.78Å; L176-I182 HydrophobicContact CB-CD1 3.98Å; L176-I182 HydrophobicContact CB-CG1 3.99Å; L176-I182 HydrophobicContact CB-CG2 4.13Å; L176-I182 HydrophobicContact CD1-CG2 4.44Å; L176-I182 PolarHBondContact O-N 3.32Å; H177-I182 HydrophobicContact CB-CD1 4.19Å; H177-I182 HydrophobicContact CB-CG1 3.99Å; I182-Q186 HydrophobicContact CB-CB 4.39Å; I182-F187 HydrophobicContact CD1-CB 4.08Å; I182-F187 HydrophobicContact CD1-CD2 4.19Å
183T97.2Very high96.3Very high74 Ų7468.3 Ų68.345%0.45433%0.329SS..  trans-68.9157174.462.80000110.5E185 Q186 F187T183-E185 PolarHBondContact O-N 2.66Å; T183-Q186 PolarHBondContact O-N 3.36Å; T183-Q186 WeakPolarHBondContact OG1-CB 3.19Å; T183-Q186 VanDerWaalsContact OG1-CG 3.27Å; T183-Q186 WeakPolarHBondContact OG1-CG 3.45Å; T183-Q186 PolarHBondContact OG1-N 2.83Å; T183-Q186 PolarHBondContact OG1-OE1 3.16Å; T183-Q186 VanDerWaalsContact OG1-OE1 3.06Å; T183-F187 PolarHBondContact O-N 2.84Å; T183-F187 VanDerWaalsContact O-N 3.12Å
184K96.9Very high95.9Very high136 Ų13669.4 Ų69.459%0.59134%0.335SS*.Hα-helixtrans-58.5-37.3172.6-173.4175.1178.9-179.50112F187 D188K184-F187 PolarHBondContact O-N 3.47Å; K184-D188 WeakPolarHBondContact CE-OD2 3.46Å; K184-D188 WeakPolarHBondContact CG-OD2 3.42Å; K184-D188 WeakPolarHBondContact O-CB 3.26Å; K184-D188 VanDerWaalsContact O-CG 3.31Å; K184-D188 PolarHBondContact O-N 3.47Å
185E96.5Very high95.3Very high153 Ų15372.8 Ų72.872%0.71535%0.35SS*.Hα-helixtrans-59.8-47.9176.4-176.2178.5-172.700112T183 F187 D188 E189T183-E185 PolarHBondContact O-N 2.66Å; E185-F187 VanDerWaalsContact C-N 3.33Å; E185-F187 PolarHBondContact O-N 2.69Å; E185-D188 PolarHBondContact O-N 3.48Å; E185-E189 VanDerWaalsContact O-CB 3.25Å; E185-E189 WeakPolarHBondContact O-CB 3.44Å; E185-E189 PolarHBondContact O-N 3.35Å
186Q97.2Very high94.6Very high49 Ų4975.6 Ų75.623%0.22937%0.372CS..Hα-helixtrans-61.5-39.9176.6-76.3167.1-38.500112.8F18 I182 T183 T190F18-Q186 HydrophobicContact CB-CG 4.42Å; F18-Q186 HydrophobicContact CD1-CB 3.86Å; F18-Q186 HydrophobicContact CD1-CG 3.93Å; F18-Q186 HydrophobicContact CE1-CB 3.8Å; F18-Q186 HydrophobicContact CE1-CG 4.36Å; F18-Q186 HydrophobicContact CG-CB 4.39Å; F18-Q186 HydrophobicContact CG-CG 4.05Å; F18-Q186 HydrophobicContact CZ-CB 4.29Å; I182-Q186 HydrophobicContact CB-CB 4.39Å; T183-Q186 PolarHBondContact O-N 3.36Å; T183-Q186 WeakPolarHBondContact OG1-CB 3.19Å; T183-Q186 VanDerWaalsContact OG1-CG 3.27Å; T183-Q186 WeakPolarHBondContact OG1-CG 3.45Å; T183-Q186 PolarHBondContact OG1-N 2.83Å; T183-Q186 PolarHBondContact OG1-OE1 3.16Å; T183-Q186 VanDerWaalsContact OG1-OE1 3.06Å; Q186-T190 WeakPolarHBondContact O-CB 3.34Å; Q186-T190 PolarHBondContact O-N 3.32Å; Q186-T190 PolarHBondContact O-OG1 2.89Å
187F97.5Very high93.4Very high34 Ų3476.5 Ų76.515%0.14938%0.378CS..Hα-helixtrans-63.1-56.6175.5-179.9-89.7000110.6L173 E174 H177 I182 T183 K184 E185 E189 T190 I191L173-F187 HydrophobicContact CB-CD2 3.86Å; L173-F187 HydrophobicContact CB-CE2 3.92Å; E174-F187 HydrophobicContact CG-CE2 3.99Å; E174-F187 HydrophobicContact CG-CZ 4.17Å; H177-F187 HydrophobicContact CB-CD2 3.87Å; H177-F187 HydrophobicContact CB-CE2 4.43Å; H177-F187 HydrophobicContact CB-CG 4.37Å; I182-F187 HydrophobicContact CD1-CB 4.08Å; I182-F187 HydrophobicContact CD1-CD2 4.19Å; T183-F187 PolarHBondContact O-N 2.84Å; T183-F187 VanDerWaalsContact O-N 3.12Å; K184-F187 PolarHBondContact O-N 3.47Å; E185-F187 VanDerWaalsContact C-N 3.33Å; E185-F187 PolarHBondContact O-N 2.69Å; F187-E189 PolarHBondContact O-N 3.32Å; F187-T190 PolarHBondContact O-N 3.16Å; F187-T190 VanDerWaalsContact O-N 3.16Å; F187-I191 HydrophobicContact CD1-CG1 4.1Å; F187-I191 HydrophobicContact CE1-CG1 3.75Å; F187-I191 HydrophobicContact CE2-CD1 4.41Å; F187-I191 HydrophobicContact CE2-CG1 4.2Å; F187-I191 HydrophobicContact CG-CG1 4.47Å; F187-I191 HydrophobicContact CZ-CD1 4.19Å; F187-I191 HydrophobicContact CZ-CG1 3.8Å; F187-I191 WeakPolarHBondContact O-CG1 3.23Å; F187-I191 PolarHBondContact O-N 2.87Å
188D96.3Very high91.9Very high78 Ų7877.7 Ų77.742%0.41739%0.392SS..Hα-helixtrans-61.3-43.3-176.4-70.3-19000111.7K184 E185 T190 I191 L192K184-D188 WeakPolarHBondContact CE-OD2 3.46Å; K184-D188 WeakPolarHBondContact CG-OD2 3.42Å; K184-D188 WeakPolarHBondContact O-CB 3.26Å; K184-D188 VanDerWaalsContact O-CG 3.31Å; K184-D188 PolarHBondContact O-N 3.47Å; E185-D188 PolarHBondContact O-N 3.48Å; D188-T190 VanDerWaalsContact C-N 3.32Å; D188-T190 PolarHBondContact O-N 3.24Å; D188-I191 PolarHBondContact O-N 3.12Å; D188-L192 VanDerWaalsContact O-CB 3.22Å; D188-L192 WeakPolarHBondContact O-CB 2.86Å; D188-L192 PolarHBondContact O-N 3.06Å
189E95.6Very high90.3Very high104 Ų10479 Ų7949%0.48640%0.395SS..Hα-helixtrans-60.7-41.5176.9-174.1-176.2-168.500111.4P30 E185 F187 F193P30-E189 HydrophobicContact CB-CG 3.93Å; P30-E189 HydrophobicContact CG-CG 4.25Å; E185-E189 VanDerWaalsContact O-CB 3.25Å; E185-E189 WeakPolarHBondContact O-CB 3.44Å; E185-E189 PolarHBondContact O-N 3.35Å; F187-E189 PolarHBondContact O-N 3.32Å; E189-F193 WeakPolarHBondContact O-CB 3.18Å; E189-F193 PolarHBondContact O-N 3.21Å
190T95.2Very high88.5Confident0 Ų076 Ų760%038%0.383CS..Hα-helixtrans-73-42.8-178.5-55.10000112I31 L173 Q186 F187 D188 L192 F193 L194I31-T190 HydrophobicContact CB-CG2 4.09Å; I31-T190 HydrophobicContact CD1-CG2 4.04Å; I31-T190 HydrophobicContact CG2-CG2 3.59Å; L173-T190 HydrophobicContact CD1-CG2 3.45Å; L173-T190 VanDerWaalsContact CD1-CG2 3.45Å; Q186-T190 WeakPolarHBondContact O-CB 3.34Å; Q186-T190 PolarHBondContact O-N 3.32Å; Q186-T190 PolarHBondContact O-OG1 2.89Å; F187-T190 PolarHBondContact O-N 3.16Å; F187-T190 VanDerWaalsContact O-N 3.16Å; D188-T190 VanDerWaalsContact C-N 3.32Å; D188-T190 PolarHBondContact O-N 3.24Å; T190-L192 VanDerWaalsContact C-N 3.33Å; T190-F193 WeakPolarHBondContact O-CB 3.16Å; T190-F193 PolarHBondContact O-N 3.47Å; T190-L194 WeakPolarHBondContact O-CG 3.33Å; T190-L194 PolarHBondContact O-N 3.4Å
191I95.2Very high86.4Confident31 Ų3177.6 Ų77.616%0.15939%0.386CS..Hα-helixtrans-62-44.1175.1-66.2-60.1000110.2T170 L173 F187 D188 F193 L194 H195T170-I191 HydrophobicContact CG2-CD1 4Å; L173-I191 HydrophobicContact CD1-CD1 4.22Å; F187-I191 HydrophobicContact CD1-CG1 4.1Å; F187-I191 HydrophobicContact CE1-CG1 3.75Å; F187-I191 HydrophobicContact CE2-CD1 4.41Å; F187-I191 HydrophobicContact CE2-CG1 4.2Å; F187-I191 HydrophobicContact CG-CG1 4.47Å; F187-I191 HydrophobicContact CZ-CD1 4.19Å; F187-I191 HydrophobicContact CZ-CG1 3.8Å; F187-I191 WeakPolarHBondContact O-CG1 3.23Å; F187-I191 PolarHBondContact O-N 2.87Å; D188-I191 PolarHBondContact O-N 3.12Å; I191-F193 VanDerWaalsContact C-N 3.31Å; I191-F193 PolarHBondContact O-N 3.02Å; I191-L194 PolarHBondContact O-N 2.68Å; I191-L194 VanDerWaalsContact O-N 3.15Å; I191-H195 PolarHBondContact O-CD2 2.94Å; I191-H195 PolarHBondContact O-N 3.39Å; I191-H195 VanDerWaalsContact O-N 3.08Å
192L93Very high84.3Confident119 Ų11976.6 Ų76.662%0.62339%0.39SS*.Hα-helixtrans-59.7-42.7174.6-174.767.4000111.4D188 T190 L194 H195 S196D188-L192 VanDerWaalsContact O-CB 3.22Å; D188-L192 WeakPolarHBondContact O-CB 2.86Å; D188-L192 PolarHBondContact O-N 3.06Å; T190-L192 VanDerWaalsContact C-N 3.33Å; L192-L194 VanDerWaalsContact C-N 3.35Å; L192-L194 PolarHBondContact O-N 3.16Å; L192-H195 PolarHBondContact O-N 3.44Å; L192-S196 VanDerWaalsContact O-CB 3.23Å; L192-S196 WeakPolarHBondContact O-CB 3.4Å; L192-S196 PolarHBondContact O-N 3.44Å; L192-S196 PolarHBondContact O-OG 3.46Å
193F91.7Very high82.2Confident18 Ų1879.7 Ų79.78%0.07941%0.411CS..Hα-helixtrans-59.6-42174.6168.8-94000112.4L23 I27 I28 S29 P30 E189 T190 I191 S196 S197L23-F193 HydrophobicContact CD1-CZ 3.96Å; I27-F193 HydrophobicContact CG2-CE2 3.76Å; I27-F193 HydrophobicContact CG2-CZ 4.3Å; I28-F193 WeakPolarHBondContact O-CE2 3.36Å; S29-F193 WeakPolarHBondContact OG-CE1 3.45Å; S29-F193 VanDerWaalsContact OG-CZ 3.26Å; S29-F193 WeakPolarHBondContact OG-CZ 2.91Å; P30-F193 VanDerWaalsContact CD-CD2 3.47Å; P30-F193 VanDerWaalsContact CD-CG 3.4Å; P30-F193 HydrophobicContact CG-CB 3.75Å; P30-F193 HydrophobicContact CG-CD1 4.4Å; P30-F193 HydrophobicContact CG-CD2 4.39Å; P30-F193 HydrophobicContact CG-CG 3.93Å; E189-F193 WeakPolarHBondContact O-CB 3.18Å; E189-F193 PolarHBondContact O-N 3.21Å; T190-F193 WeakPolarHBondContact O-CB 3.16Å; T190-F193 PolarHBondContact O-N 3.47Å; I191-F193 VanDerWaalsContact C-N 3.31Å; I191-F193 PolarHBondContact O-N 3.02Å; F193-S196 PolarHBondContact O-N 3.35Å; F193-S197 WeakPolarHBondContact CD2-OG 3.45Å; F193-S197 WeakPolarHBondContact CE2-OG 2.84Å; F193-S197 WeakPolarHBondContact CZ-OG 3.09Å; F193-S197 WeakPolarHBondContact O-CB 3.32Å; F193-S197 PolarHBondContact O-N 3Å; F193-S197 PolarHBondContact O-OG 3.01Å
194L89.7Confident80.1Confident23 Ų2380.9 Ų80.912%0.1242%0.422CS..Hα-helixtrans-64.9-38.8178.5-70.7179.9000112.6R148 Q150 L169 T190 I191 L192R148-L194 WeakPolarHBondContact O-CD2 3.49Å; Q150-L194 HydrophobicContact CG-CD2 4.02Å; L169-L194 HydrophobicContact CB-CD1 4.37Å; L169-L194 HydrophobicContact CD2-CD1 4.1Å; L169-L194 HydrophobicContact CD2-CD2 4.12Å; L169-L194 HydrophobicContact CG-CD1 4.27Å; T190-L194 WeakPolarHBondContact O-CG 3.33Å; T190-L194 PolarHBondContact O-N 3.4Å; I191-L194 PolarHBondContact O-N 2.68Å; I191-L194 VanDerWaalsContact O-N 3.15Å; L192-L194 VanDerWaalsContact C-N 3.35Å; L192-L194 PolarHBondContact O-N 3.16Å
195H85.7Confident78.3Confident156 Ų15680.1 Ų80.172%0.72242%0.42SS*.Hα-helixtrans-79.3-27.4178-69.8-61.6000114.2I191 L192I191-H195 PolarHBondContact O-CD2 2.94Å; I191-H195 PolarHBondContact O-N 3.39Å; I191-H195 VanDerWaalsContact O-N 3.08Å; L192-H195 PolarHBondContact O-N 3.44Å
196S83.7Confident77.1Confident82 Ų8275.1 Ų75.157%0.57340%0.398SS*.Hα-helixtrans-97-21.2-176.961.50000114.2L192 F193L192-S196 VanDerWaalsContact O-CB 3.23Å; L192-S196 WeakPolarHBondContact O-CB 3.4Å; L192-S196 PolarHBondContact O-N 3.44Å; L192-S196 PolarHBondContact O-OG 3.46Å; F193-S196 PolarHBondContact O-N 3.35Å
197S72.3Confident76.2Confident19 Ų1979.9 Ų79.913%0.13342%0.418CS..SBendtrans-62.4131.5176.2-70.40000109.4F193 K199F193-S197 WeakPolarHBondContact CD2-OG 3.45Å; F193-S197 WeakPolarHBondContact CE2-OG 2.84Å; F193-S197 WeakPolarHBondContact CZ-OG 3.09Å; F193-S197 WeakPolarHBondContact O-CB 3.32Å; F193-S197 PolarHBondContact O-N 3Å; F193-S197 PolarHBondContact O-OG 3.01Å; S197-K199 PolarHBondContact O-N 3.45Å
198P64.6Low75.7Confident86 Ų8678.4 Ų78.456%0.55841%0.412SS*.PPolyproline II helixtrans-54.3139.7165.224.4-31.4000107.5I27 P200I27-P198 HydrophobicContact CD1-CG 3.81Å; P198-P200 VanDerWaalsContact O-N 3.09Å
199K64.4Low75.2Confident165 Ų16579 Ų7972%0.71742%0.419SS*.PPolyproline II helixtrans-48127.8164.8-73.1-177.3-179.1177.80105.6S197 E201S197-K199 PolarHBondContact O-N 3.45Å; K199-E201 PolarHBondContact O-N 3.38Å; K199-E201 VanDerWaalsContact O-N 3.13Å
200P57.1Low75Confident23 Ų2374.3 Ų74.315%0.14940%0.397CS..  trans-44.4129.9173.6-21.730.3000106.8T120 Q150 P198 V202T120-P200 HydrophobicContact CG2-CG 4.11Å; Q150-P200 HydrophobicContact CB-CG 3.84Å; Q150-P200 WeakPolarHBondContact O-CD 3.31Å; Q150-P200 WeakPolarHBondContact O-CG 3.31Å; P198-P200 VanDerWaalsContact O-N 3.09Å; P200-V202 VanDerWaalsContact C-N 3.32Å; P200-V202 PolarHBondContact O-N 3.26Å
201E51.7Low74.6Confident180 Ų18076.8 Ų76.884%0.84141%0.414SS*.  trans-50.6110.4170.4-74.9-177.2168.400105.5K199K199-E201 PolarHBondContact O-N 3.38Å; K199-E201 VanDerWaalsContact O-N 3.13Å
202V51.6Low74.6Confident72 Ų7275.6 Ų75.644%0.43641%0.408SS..  trans-46129.2158.6175.60000103.1Y155 P200 S204Y155-V202 HydrophobicContact CD2-CB 4.35Å; Y155-V202 HydrophobicContact CD2-CG1 3.37Å; Y155-V202 HydrophobicContact CD2-CG2 4.09Å; Y155-V202 HydrophobicContact CE2-CG1 3.37Å; Y155-V202 HydrophobicContact CG-CG1 4.32Å; Y155-V202 HydrophobicContact CG-CG2 4.45Å; P200-V202 VanDerWaalsContact C-N 3.32Å; P200-V202 PolarHBondContact O-N 3.26Å; V202-S204 VanDerWaalsContact C-N 3.3Å; V202-S204 WeakPolarHBondContact O-CA 3.45Å; V202-S204 PolarHBondContact O-N 3.12Å
203P53.8Low74.5Confident72 Ų7270 Ų7047%0.46838%0.378SS..  trans-47.6108.7177.8-22.530.3000105.6E205P203-E205 PolarHBondContact O-N 2.73Å
204S51.6Low74.5Confident98 Ų9873.8 Ų73.869%0.68540%0.4SS*.  trans-52.4126.4-174.652.90000103.8V202 L206V202-S204 VanDerWaalsContact C-N 3.3Å; V202-S204 WeakPolarHBondContact O-CA 3.45Å; V202-S204 PolarHBondContact O-N 3.12Å; S204-L206 PolarHBondContact O-N 3.32Å
205E60.6Low74.6Confident121 Ų12176.6 Ų76.657%0.56541%0.409SS*.  trans-43.6118.2177.2-71.1-173.1151.500106.5P203 K207 S395P203-E205 PolarHBondContact O-N 2.73Å; E205-K207 VanDerWaalsContact C-N 3.29Å; E205-K207 PolarHBondContact O-N 3.3Å; E205-S395 WeakPolarHBondContact OE1-CB 3.38Å
206L70.4Confident75.1Confident48 Ų4869.2 Ų69.225%0.25137%0.374SS..  trans-59.4100.1-170.4175.476.4000106.6S204 F208 K373 T376 I391 S396S204-L206 PolarHBondContact O-N 3.32Å; L206-F208 HydrophobicContact CD2-CD2 4.48Å; L206-F208 HydrophobicContact CD2-CE2 3.53Å; L206-F208 HydrophobicContact CD2-CZ 3.7Å; L206-F208 HydrophobicContact CG-CD2 4.42Å; L206-F208 HydrophobicContact CG-CE2 3.92Å; L206-F208 HydrophobicContact CG-CZ 4.37Å; L206-K373 HydrophobicContact CD1-CB 4.45Å; L206-K373 HydrophobicContact CD2-CB 4.3Å; L206-K373 HydrophobicContact CD2-CG 3.7Å; L206-T376 HydrophobicContact CD1-CG2 3.69Å; L206-T376 HydrophobicContact CD2-CG2 4.5Å; L206-T376 HydrophobicContact CG-CG2 3.98Å; L206-I391 HydrophobicContact CD2-CG1 4.49Å; L206-I391 HydrophobicContact CD2-CG2 4.48Å; L206-S396 WeakPolarHBondContact O-CA 3.41Å; L206-S396 WeakPolarHBondContact O-CB 3.47Å
207K79.1Confident75.4Confident149 Ų14968 Ų6865%0.64836%0.362SS*.  trans-88.3121.6-174.3-170.9173.6-178.6178.60108.2E205E205-K207 VanDerWaalsContact C-N 3.29Å; E205-K207 PolarHBondContact O-N 3.3Å
208F87Confident76.4Confident2 Ų273.1 Ų73.11%0.00938%0.384CS..  trans-82125.1172.5-71.9-101.3000109.3L206 L213 I372 T376 I379 I391 S396 N397 I398L206-F208 HydrophobicContact CD2-CD2 4.48Å; L206-F208 HydrophobicContact CD2-CE2 3.53Å; L206-F208 HydrophobicContact CD2-CZ 3.7Å; L206-F208 HydrophobicContact CG-CD2 4.42Å; L206-F208 HydrophobicContact CG-CE2 3.92Å; L206-F208 HydrophobicContact CG-CZ 4.37Å; F208-L213 HydrophobicContact CB-CD1 3.22Å; F208-L213 HydrophobicContact CG-CD1 4.22Å; F208-I372 HydrophobicContact CE1-CG2 3.59Å; F208-I372 HydrophobicContact CZ-CG2 3.47Å; F208-I372 VanDerWaalsContact CZ-CG2 3.47Å; F208-T376 HydrophobicContact CD1-CG2 3.95Å; F208-T376 HydrophobicContact CE1-CG2 3.95Å; F208-T376 HydrophobicContact CG-CG2 4.25Å; F208-T376 HydrophobicContact CZ-CG2 4.32Å; F208-I379 HydrophobicContact CD1-CB 3.85Å; F208-I379 HydrophobicContact CD1-CG2 4.27Å; F208-I379 HydrophobicContact CE1-CB 3.73Å; F208-I379 HydrophobicContact CE1-CG1 4.17Å; F208-I379 HydrophobicContact CE1-CG2 3.92Å; F208-I391 HydrophobicContact CZ-CD1 4.47Å; F208-S396 WeakPolarHBondContact CD2-O 3.48Å; F208-N397 PolarHBondContact N-OD1 3.18Å; F208-N397 PolarHBondContact O-ND2 2.84Å; F208-N397 PolarHBondContact O-OD1 2.88Å; F208-I398 HydrophobicContact CD1-CD1 3.74Å; F208-I398 HydrophobicContact CD2-CB 4.07Å; F208-I398 HydrophobicContact CD2-CD1 4.28Å; F208-I398 HydrophobicContact CD2-CG2 4.14Å; F208-I398 HydrophobicContact CE1-CD1 3.51Å; F208-I398 HydrophobicContact CE2-CB 4.22Å; F208-I398 HydrophobicContact CE2-CD1 4.03Å; F208-I398 HydrophobicContact CE2-CG2 3.89Å; F208-I398 HydrophobicContact CG-CB 4.31Å; F208-I398 HydrophobicContact CG-CD1 4.12Å; F208-I398 HydrophobicContact CZ-CD1 3.64Å; F208-I398 HydrophobicContact CZ-CG2 4.44Å
209T86.4Confident77.9Confident92 Ų9269.7 Ų69.756%0.56436%0.36SS*.  trans-103.47.7-175.159.10000112.5S211 T376 D377T209-S211 PolarHBondContact O-N 2.87Å; T209-T376 PolarHBondContact N-O 3.17Å; T209-D377 WeakPolarHBondContact OG1-CA 3.48Å
210C89.8Confident79.3Confident4 Ų462.1 Ų62.13%0.02733%0.327CS..  trans-60.3124.1173.8175.70000111.1Q212 L213 A346 T376 D377 I379C210-Q212 PolarHBondContact O-N 3.37Å; C210-L213 HydrophobicContact CB-CD1 4.04Å; C210-L213 HydrophobicContact CB-CG 4.13Å; C210-L213 WeakPolarHBondContact O-CB 3.32Å; C210-L213 PolarHBondContact O-N 3.43Å; C210-L213 VanDerWaalsContact O-N 3.13Å; C210-A346 WeakPolarHBondContact SG-CB 3.43Å; C210-T376 PolarHBondContact N-O 2.69Å; C210-D377 WeakPolarHBondContact CA-O 3.47Å; C210-I379 WeakPolarHBondContact CB-O 3.46Å
211S88.1Confident81Confident52 Ų5267.9 Ų67.936%0.36435%0.353SS..Hα-helixtrans-60.5-27-176.852.40000113.9T209 L213 Q344T209-S211 PolarHBondContact O-N 2.87Å; S211-L213 VanDerWaalsContact C-N 3.28Å; S211-L213 PolarHBondContact O-N 3.05Å; S211-Q344 PolarHBondContact OG-OE1 3.33Å
212Q93.9Very high83Confident7 Ų763.8 Ų63.83%0.03334%0.344CS..Hα-helixtrans-73-18.4-180-62.6-62.6-11.600113.5C210 L216 M314 Q344 A346C210-Q212 PolarHBondContact O-N 3.37Å; Q212-L216 WeakPolarHBondContact O-CB 3.5Å; Q212-L216 PolarHBondContact O-N 3.25Å; Q212-M314 HydrophobicContact CB-CE 3.65Å; Q212-Q344 PolarHBondContact NE2-O 3.15Å; Q212-A346 HydrophobicContact CB-CB 4.09Å; Q212-A346 HydrophobicContact CG-CB 3.97Å
213L92.5Very high85.1Confident0 Ų061.7 Ų61.70%033%0.329CS..Hα-helixtrans-69.1-42.4178.3-67.9174.6000112.2F208 C210 S211 R215 L216 N217 G380 I398F208-L213 HydrophobicContact CB-CD1 3.22Å; F208-L213 HydrophobicContact CG-CD1 4.22Å; C210-L213 HydrophobicContact CB-CD1 4.04Å; C210-L213 HydrophobicContact CB-CG 4.13Å; C210-L213 WeakPolarHBondContact O-CB 3.32Å; C210-L213 PolarHBondContact O-N 3.43Å; C210-L213 VanDerWaalsContact O-N 3.13Å; S211-L213 VanDerWaalsContact C-N 3.28Å; S211-L213 PolarHBondContact O-N 3.05Å; L213-R215 VanDerWaalsContact C-N 3.33Å; L213-R215 PolarHBondContact O-N 3.28Å; L213-L216 PolarHBondContact O-N 3.48Å; L213-N217 WeakPolarHBondContact O-CB 3.32Å; L213-N217 VanDerWaalsContact O-CG 3.3Å; L213-N217 PolarHBondContact O-N 2.82Å; L213-N217 PolarHBondContact O-ND2 3.44Å; L213-N217 VanDerWaalsContact O-ND2 3.17Å; L213-G380 WeakPolarHBondContact CD2-O 3.4Å; L213-I398 HydrophobicContact CD2-CG1 4.44Å
214D90.3Very high87.1Confident99 Ų9963.3 Ų63.353%0.52933%0.33SS..Hα-helixtrans-64.6-41.6177.8-70.9-22.2000110.9N217 Q218D214-N217 PolarHBondContact O-N 3.46Å; D214-Q218 VanDerWaalsContact O-CG 3.3Å; D214-Q218 WeakPolarHBondContact O-CG 3.21Å; D214-Q218 PolarHBondContact O-N 3.36Å
215R92.7Very high89.2Confident81 Ų8158.6 Ų58.631%0.30630%0.297SS..Hα-helixtrans-64.6-42.7176.2-169176.6164.4-154.6-9.5111.9L213 N217 Q218 I219 L283 D313L213-R215 VanDerWaalsContact C-N 3.33Å; L213-R215 PolarHBondContact O-N 3.28Å; R215-N217 PolarHBondContact O-N 2.88Å; R215-Q218 PolarHBondContact O-N 2.96Å; R215-I219 HydrophobicContact CG-CD1 4.11Å; R215-I219 WeakPolarHBondContact O-CD1 3.13Å; R215-I219 VanDerWaalsContact O-CG1 3.26Å; R215-I219 WeakPolarHBondContact O-CG1 3.26Å; R215-I219 PolarHBondContact O-N 3.48Å; R215-L283 HydrophobicContact CB-CD2 4.42Å; R215-L283 HydrophobicContact CG-CD2 3.88Å; R215-D313 IonicContact CZ-OD1 3.57Å; R215-D313 IonicContact CZ-OD2 2.68Å; R215-D313 IonicContact NH1-OD1 3.07Å; R215-D313 PolarHBondContact NH1-OD1 3.08Å; R215-D313 IonicContact NH1-OD2 3.77Å; R215-D313 IonicContact NH2-OD1 3.65Å; R215-D313 IonicContact NH2-OD2 2.68Å
216L94.8Very high90.9Very high1 Ų154.8 Ų54.81%0.00528%0.277CS..Hα-helixtrans-57.7-48.4173.317862.3000111.1Q212 L213 Q218 I219 I220 C251 L283 W401Q212-L216 WeakPolarHBondContact O-CB 3.5Å; Q212-L216 PolarHBondContact O-N 3.25Å; L213-L216 PolarHBondContact O-N 3.48Å; L216-Q218 PolarHBondContact O-N 3.33Å; L216-I219 PolarHBondContact O-N 2.83Å; L216-I220 HydrophobicContact CD1-CD1 3.9Å; L216-I220 HydrophobicContact CD1-CG1 4.12Å; L216-I220 HydrophobicContact CD2-CD1 4.36Å; L216-I220 HydrophobicContact CG-CD1 3.73Å; L216-I220 HydrophobicContact CG-CG1 4.34Å; L216-I220 VanDerWaalsContact O-CG1 3.29Å; L216-I220 WeakPolarHBondContact O-CG1 3.32Å; L216-I220 PolarHBondContact O-N 3.35Å; L216-C251 HydrophobicContact CD1-CB 4.21Å; L216-L283 HydrophobicContact CB-CD1 3.86Å; L216-L283 HydrophobicContact CD1-CD1 4.08Å; L216-W401 HydrophobicContact CD1-CH2 4.28Å; L216-W401 HydrophobicContact CD1-CZ2 4.26Å; L216-W401 HydrophobicContact CD2-CZ2 3.74Å
217N91.7Very high92.2Very high57 Ų5752.5 Ų52.531%0.30527%0.266SS..Hα-helixtrans-62.4-41.7-179.2-74.3-32.7000112.2L213 D214 R215 I219 I220 Q221L213-N217 WeakPolarHBondContact O-CB 3.32Å; L213-N217 VanDerWaalsContact O-CG 3.3Å; L213-N217 PolarHBondContact O-N 2.82Å; L213-N217 PolarHBondContact O-ND2 3.44Å; L213-N217 VanDerWaalsContact O-ND2 3.17Å; D214-N217 PolarHBondContact O-N 3.46Å; R215-N217 PolarHBondContact O-N 2.88Å; N217-I219 PolarHBondContact O-N 2.83Å; N217-I220 PolarHBondContact O-N 3.35Å; N217-Q221 WeakPolarHBondContact O-CB 3.47Å; N217-Q221 PolarHBondContact O-N 2.82Å
218Q92.6Very high93.1Very high127 Ų12745.4 Ų45.459%0.59324%0.235SC*.Hα-helixtrans-59.9-45.1174.2-73.5172.12.500111.9D214 R215 L216 Q221 S222D214-Q218 VanDerWaalsContact O-CG 3.3Å; D214-Q218 WeakPolarHBondContact O-CG 3.21Å; D214-Q218 PolarHBondContact O-N 3.36Å; R215-Q218 PolarHBondContact O-N 2.96Å; L216-Q218 PolarHBondContact O-N 3.33Å; Q218-Q221 PolarHBondContact O-N 3.47Å; Q218-S222 WeakPolarHBondContact O-CB 3.37Å; Q218-S222 PolarHBondContact O-N 2.72Å; Q218-S222 PolarHBondContact O-OG 2.77Å
219I95.9Very high93.6Very high13 Ų1345.3 Ų45.37%0.06723%0.234CC..Hα-helixtrans-64.2-46.2177.8-68.8164.6000111R215 L216 N217 Q221 S222 K223 C251 G281 L283R215-I219 HydrophobicContact CG-CD1 4.11Å; R215-I219 WeakPolarHBondContact O-CD1 3.13Å; R215-I219 VanDerWaalsContact O-CG1 3.26Å; R215-I219 WeakPolarHBondContact O-CG1 3.26Å; R215-I219 PolarHBondContact O-N 3.48Å; L216-I219 PolarHBondContact O-N 2.83Å; N217-I219 PolarHBondContact O-N 2.83Å; I219-Q221 VanDerWaalsContact C-N 3.29Å; I219-Q221 PolarHBondContact O-N 2.91Å; I219-S222 PolarHBondContact O-N 2.96Å; I219-S222 PolarHBondContact O-OG 3.36Å; I219-K223 HydrophobicContact CG2-CD 3.81Å; I219-K223 WeakPolarHBondContact O-CB 3.37Å; I219-K223 PolarHBondContact O-N 2.65Å; I219-C251 HydrophobicContact CG2-CB 3.83Å; I219-G281 VanDerWaalsContact CG2-O 3.28Å; I219-G281 WeakPolarHBondContact CG2-O 3.28Å; I219-L283 HydrophobicContact CD1-CD2 3.77Å; I219-L283 HydrophobicContact CD1-CG 3.89Å
220I94.3Very high94.2Very high6 Ų641.2 Ų41.23%0.03121%0.21CC..Hα-helixtrans-58.5-45.2177.4-70170.7000109.9L216 N217 Q224 S225 R226 C251 V437L216-I220 HydrophobicContact CD1-CD1 3.9Å; L216-I220 HydrophobicContact CD1-CG1 4.12Å; L216-I220 HydrophobicContact CD2-CD1 4.36Å; L216-I220 HydrophobicContact CG-CD1 3.73Å; L216-I220 HydrophobicContact CG-CG1 4.34Å; L216-I220 VanDerWaalsContact O-CG1 3.29Å; L216-I220 WeakPolarHBondContact O-CG1 3.32Å; L216-I220 PolarHBondContact O-N 3.35Å; N217-I220 PolarHBondContact O-N 3.35Å; I220-Q224 WeakPolarHBondContact O-CA 3.24Å; I220-Q224 PolarHBondContact O-N 2.91Å; I220-S225 VanDerWaalsContact CG1-O 3.32Å; I220-S225 WeakPolarHBondContact CG1-O 3.38Å; I220-S225 PolarHBondContact O-N 2.82Å; I220-R226 HydrophobicContact CD1-CG 4.25Å; I220-R226 HydrophobicContact CG1-CG 4.38Å; I220-R226 HydrophobicContact CG2-CG 3.9Å; I220-C251 HydrophobicContact CG1-CB 4Å; I220-V437 HydrophobicContact CD1-CG2 4.4Å
221Q92Very high94.5Very high145 Ų14541.1 Ų41.168%0.67821%0.209SC*.Hα-helixtrans-66.9-44.8-179.2-175.1178.53.500112.2N217 Q218 I219 Q224N217-Q221 WeakPolarHBondContact O-CB 3.47Å; N217-Q221 PolarHBondContact O-N 2.82Å; Q218-Q221 PolarHBondContact O-N 3.47Å; I219-Q221 VanDerWaalsContact C-N 3.29Å; I219-Q221 PolarHBondContact O-N 2.91Å; Q221-Q224 PolarHBondContact O-NE2 3Å
222S95Very high94.9Very high93 Ų9342.1 Ų42.165%0.6521%0.211SC*.Hα-helixtrans-69.4-37.6-177.668.20000112.4Q218 I219Q218-S222 WeakPolarHBondContact O-CB 3.37Å; Q218-S222 PolarHBondContact O-N 2.72Å; Q218-S222 PolarHBondContact O-OG 2.77Å; I219-S222 PolarHBondContact O-N 2.96Å; I219-S222 PolarHBondContact O-OG 3.36Å
223K95.3Very high94.9Very high29 Ų2942.8 Ų42.813%0.12621%0.214CC..Hα-helixtrans-98.2-10.9-174.1-61.9176.874.5166.60113.8I219 S225 G247 S248 V250 H280 G281I219-K223 HydrophobicContact CG2-CD 3.81Å; I219-K223 WeakPolarHBondContact O-CB 3.37Å; I219-K223 PolarHBondContact O-N 2.65Å; K223-S225 PolarHBondContact O-N 2.82Å; K223-G247 PolarHBondContact NZ-O 3.44Å; K223-S248 VanDerWaalsContact CE-C 3.47Å; K223-S248 WeakPolarHBondContact CE-O 3.41Å; K223-V250 WeakPolarHBondContact CE-O 3.48Å; K223-V250 PolarHBondContact NZ-O 3.02Å; K223-H280 PolarHBondContact NZ-O 3.37Å; K223-G281 VanDerWaalsContact CD-O 3.27Å; K223-G281 WeakPolarHBondContact CD-O 3.37Å; K223-G281 PolarHBondContact NZ-O 3.11Å
224Q94.6Very high95.1Very high105 Ų10547 Ų4749%0.49124%0.236SC..THydrogen-bonded Turntrans47.254.6-168-62.2-64.9-53.100109.5I220 Q221 R458 I462I220-Q224 WeakPolarHBondContact O-CA 3.24Å; I220-Q224 PolarHBondContact O-N 2.91Å; Q221-Q224 PolarHBondContact O-NE2 3Å; Q224-R458 WeakPolarHBondContact O-CG 3.32Å; Q224-I462 WeakPolarHBondContact O-CG1 3.27Å
225S96.3Very high95.2Very high0 Ų045.7 Ų45.70%023%0.229CC..  trans-136.3124.7-177.4-178.50000110.8I220 K223 L227 E249 C251I220-S225 VanDerWaalsContact CG1-O 3.32Å; I220-S225 WeakPolarHBondContact CG1-O 3.38Å; I220-S225 PolarHBondContact O-N 2.82Å; K223-S225 PolarHBondContact O-N 2.82Å; S225-L227 PolarHBondContact OG-N 3.37Å; S225-E249 VanDerWaalsContact CB-O 3.28Å; S225-E249 WeakPolarHBondContact CB-O 3.43Å; S225-E249 PolarHBondContact OG-O 3.13Å; S225-C251 WeakPolarHBondContact O-CB 3.46Å; S225-C251 PolarHBondContact OG-N 3.15Å
226R95.4Very high95.2Very high40 Ų4042.9 Ų42.915%0.15122%0.221CC..  trans-111.828.3166.8-77.2174.7164.383.67.7110.3I220 S434 I436 V437 M438 S461 I462I220-R226 HydrophobicContact CD1-CG 4.25Å; I220-R226 HydrophobicContact CG1-CG 4.38Å; I220-R226 HydrophobicContact CG2-CG 3.9Å; R226-S434 PolarHBondContact NE-O 3.47Å; R226-S434 VanDerWaalsContact NE-O 3.11Å; R226-S434 VanDerWaalsContact NH2-CA 3.33Å; R226-S434 PolarHBondContact NH2-O 3.24Å; R226-I436 WeakPolarHBondContact CB-O 2.94Å; R226-I436 WeakPolarHBondContact CD-O 3.29Å; R226-I436 WeakPolarHBondContact CG-O 3.39Å; R226-V437 CarbonylContact O-C 3.43Å; R226-V437 WeakPolarHBondContact O-CA 3.39Å; R226-V437 WeakPolarHBondContact O-CG1 3.45Å; R226-M438 PolarHBondContact O-N 2.98Å; R226-S461 PolarHBondContact N-OG 3.15Å; R226-I462 HydrophobicContact CB-CD1 4.14Å; R226-I462 HydrophobicContact CG-CD1 3.79Å
227L97.6Very high95.1Very high0 Ų048.7 Ų48.70%025%0.251CS..EExtended strand (participates in β ladder)trans-97.7121.9-179.9176.361.1000110.2S225 V229 V250 C251 V440 I444 A454 R458S225-L227 PolarHBondContact OG-N 3.37Å; L227-V229 HydrophobicContact CD1-CG2 4.13Å; L227-V229 HydrophobicContact CD2-CG2 4Å; L227-V229 HydrophobicContact CG-CG2 3.89Å; L227-V250 HydrophobicContact CD2-CG1 4.08Å; L227-V250 HydrophobicContact CG-CG1 4.19Å; L227-V250 CarbonylContact O-C 3.48Å; L227-V250 WeakPolarHBondContact O-CA 3.45Å; L227-V250 WeakPolarHBondContact O-CB 3.47Å; L227-C251 PolarHBondContact O-N 2.94Å; L227-C251 PolarHBondContact O-SG 3.29Å; L227-C251 VanDerWaalsContact O-SG 3.35Å; L227-V440 HydrophobicContact CD1-CB 3.94Å; L227-V440 HydrophobicContact CD1-CG2 3.56Å; L227-I444 HydrophobicContact CD1-CD1 4.22Å; L227-I444 HydrophobicContact CD2-CD1 4.02Å; L227-A454 HydrophobicContact CD2-CB 4.37Å; L227-A454 VanDerWaalsContact CD2-O 3.29Å; L227-A454 WeakPolarHBondContact CD2-O 3.12Å; L227-R458 HydrophobicContact CD2-CB 4.43Å
228C98.5Very high95.3Very high0 Ų051 Ų510%026%0.259CS..EExtended strand (participates in β ladder)trans-104.6130.1162.2176.90000109.3A252 W401 V437 M438 I439 V440C228-A252 VanDerWaalsContact CA-O 3.24Å; C228-A252 WeakPolarHBondContact CA-O 3.22Å; C228-A252 HydrophobicContact CB-CB 4.14Å; C228-W401 HydrophobicContact CB-CE3 4.12Å; C228-W401 HydrophobicContact CB-CZ3 3.67Å; C228-V437 HydrophobicContact CB-CG1 3.75Å; C228-M438 PolarHBondContact N-O 2.85Å; C228-M438 VanDerWaalsContact O-O 3.09Å; C228-I439 HydrophobicContact CB-CG1 4.07Å; C228-I439 CarbonylContact O-C 3.53Å; C228-I439 VanDerWaalsContact O-CA 3.31Å; C228-I439 WeakPolarHBondContact O-CA 3.29Å; C228-V440 PolarHBondContact O-N 3.41Å
229V98.6Very high95.4Very high0 Ų045.1 Ų45.10%023%0.231CC..EExtended strand (participates in β ladder)trans-103.4124.9176.3178.30000111L227 M231 I246 V250 A252 I253 K254 V440 I444 T445L227-V229 HydrophobicContact CD1-CG2 4.13Å; L227-V229 HydrophobicContact CD2-CG2 4Å; L227-V229 HydrophobicContact CG-CG2 3.89Å; V229-M231 HydrophobicContact CG1-CE 4.24Å; V229-M231 PolarHBondContact O-N 2.91Å; V229-I246 HydrophobicContact CB-CD1 3.72Å; V229-I246 HydrophobicContact CG1-CD1 3.67Å; V229-I246 HydrophobicContact CG2-CD1 3.77Å; V229-V250 HydrophobicContact CB-CG1 4.27Å; V229-V250 HydrophobicContact CG2-CG1 3.56Å; V229-A252 PolarHBondContact N-O 3.31Å; V229-A252 VanDerWaalsContact N-O 3.07Å; V229-I253 HydrophobicContact CB-CD1 4Å; V229-K254 PolarHBondContact O-N 2.84Å; V229-V440 CarbonylContact C-O 3.55Å; V229-V440 VanDerWaalsContact CA-O 3.23Å; V229-V440 WeakPolarHBondContact CA-O 3.29Å; V229-I444 HydrophobicContact CG1-CG2 4.36Å; V229-I444 HydrophobicContact CG2-CD1 3.57Å; V229-T445 HydrophobicContact CG1-CG2 4.39Å
230A97.9Very high95.5Very high7 Ų746.7 Ų46.76%0.05824%0.239CC..EExtended strand (participates in β ladder)trans-80.2100170.900000109.3D232 K254 I439 V440 G441A230-D232 PolarHBondContact O-N 3.46Å; A230-K254 CarbonylContact C-O 3.5Å; A230-K254 WeakPolarHBondContact CA-O 3.1Å; A230-K254 VanDerWaalsContact CB-CE 3.41Å; A230-I439 HydrophobicContact CB-CG2 4.07Å; A230-V440 PolarHBondContact N-O 3.2Å; A230-G441 WeakPolarHBondContact O-CA 3.18Å
231M97.1Very high95.6Very high2 Ų252.3 Ų52.31%0.0127%0.266CS..  trans-95.865.2-174.6-163.27178.700110.1V229 I233 L239 L242 I246 I253 K254 L255 T445V229-M231 HydrophobicContact CG1-CE 4.24Å; V229-M231 PolarHBondContact O-N 2.91Å; M231-I233 HydrophobicContact CG-CG1 3.73Å; M231-I233 PolarHBondContact O-N 2.95Å; M231-I233 HydrophobicContact SD-CD1 4.41Å; M231-I233 HydrophobicContact SD-CG1 3.72Å; M231-L239 HydrophobicContact CB-CD1 4.02Å; M231-L239 HydrophobicContact CG-CD1 3.28Å; M231-L242 HydrophobicContact CE-CB 4.18Å; M231-L242 HydrophobicContact SD-CB 4.06Å; M231-I246 HydrophobicContact CE-CD1 3.39Å; M231-I246 HydrophobicContact CE-CG1 3.92Å; M231-I253 HydrophobicContact CB-CG2 4.01Å; M231-I253 HydrophobicContact CE-CD1 4.41Å; M231-K254 PolarHBondContact N-O 2.76Å; M231-L255 HydrophobicContact CB-CD2 4.02Å; M231-T445 HydrophobicContact SD-CG2 3.88Å
232D95.6Very high95.9Very high73 Ų7346.3 Ų46.339%0.3924%0.238SC..  trans-79.160.3-178.8-57.2-26.6000110.3A230 K254 H256 I259A230-D232 PolarHBondContact O-N 3.46Å; D232-K254 IonicContact OD1-NZ 3.03Å; D232-H256 IonicContact OD1-CD2 3.03Å; D232-H256 PolarHBondContact OD1-CD2 3.41Å; D232-I259 HydrophobicContact CB-CD1 4.17Å
233I94.9Very high96Very high21 Ų2141.9 Ų41.911%0.10821%0.207CC..  trans-100.1125-175.3-57.5-63.8000110M231 D235 K238 L239 L242 L260 T445M231-I233 HydrophobicContact CG-CG1 3.73Å; M231-I233 PolarHBondContact O-N 2.95Å; M231-I233 HydrophobicContact SD-CD1 4.41Å; M231-I233 HydrophobicContact SD-CG1 3.72Å; I233-D235 WeakPolarHBondContact CG2-O 3.29Å; I233-K238 HydrophobicContact CG2-CB 4.03Å; I233-K238 HydrophobicContact CG2-CD 4.4Å; I233-K238 HydrophobicContact CG2-CG 4.14Å; I233-L239 HydrophobicContact CB-CB 4.16Å; I233-L239 HydrophobicContact CB-CD1 4.36Å; I233-L239 HydrophobicContact CG2-CB 4.17Å; I233-L242 HydrophobicContact CD1-CD1 3.98Å; I233-L242 HydrophobicContact CG1-CD1 4.24Å; I233-L260 WeakPolarHBondContact O-CD2 3.49Å; I233-T445 HydrophobicContact CD1-CG2 4.45Å
234L95.2Very high96.2Very high87 Ų8743.2 Ų43.246%0.45522%0.216SC..SBendtrans-72.5-33.9-176.6-64.6-178.9000114.3I259 L261L234-I259 HydrophobicContact CD2-CB 4.14Å; L234-I259 HydrophobicContact CD2-CD1 3.84Å; L234-I259 HydrophobicContact CD2-CG1 3.96Å; L234-I259 VanDerWaalsContact CD2-O 3.31Å; L234-I259 WeakPolarHBondContact CD2-O 3.14Å; L234-L261 HydrophobicContact CB-CD1 3.75Å; L234-L261 HydrophobicContact CB-CG 3.92Å; L234-L261 HydrophobicContact CD1-CD1 4.28Å; L234-L261 PolarHBondContact O-N 2.98Å
235D94.1Very high96.3Very high72 Ų7241.5 Ų41.539%0.38521%0.208SC..  trans-89.1119.1-179177.4-17.7000110I233 I237 K238 L239I233-D235 WeakPolarHBondContact CG2-O 3.29Å; D235-I237 VanDerWaalsContact C-N 3.33Å; D235-I237 PolarHBondContact O-N 3.32Å; D235-I237 WeakPolarHBondContact OD1-CB 3.25Å; D235-I237 PolarHBondContact OD1-N 3.47Å; D235-K238 HydrophobicContact CB-CB 3.89Å; D235-K238 PolarHBondContact O-N 3.28Å; D235-K238 PolarHBondContact OD1-N 3.2Å; D235-L239 WeakPolarHBondContact O-CB 3.44Å; D235-L239 PolarHBondContact O-N 3.06Å
236P92.4Very high96.4Very high22 Ų2241.5 Ų41.514%0.14321%0.208CC..Hα-helixtrans-65.3-30.5-177.626.4-34.8000114.4L240 L260 I269P236-L240 WeakPolarHBondContact O-CG 3.45Å; P236-L240 PolarHBondContact O-N 3.35Å; P236-L260 HydrophobicContact CB-CD1 4.42Å; P236-L260 HydrophobicContact CB-CD2 4.2Å; P236-I269 HydrophobicContact CB-CD1 3.4Å; P236-I269 HydrophobicContact CB-CG1 3.83Å; P236-I269 HydrophobicContact CB-CG2 4.36Å; P236-I269 HydrophobicContact CG-CD1 4.06Å
237I92.9Very high96.6Very high124 Ų12439.6 Ų39.664%0.63620%0.2SC*.Hα-helixtrans-70.3-47.3177.1-63.5173.9000108.9D235 L239 L240 Q241D235-I237 VanDerWaalsContact C-N 3.33Å; D235-I237 PolarHBondContact O-N 3.32Å; D235-I237 WeakPolarHBondContact OD1-CB 3.25Å; D235-I237 PolarHBondContact OD1-N 3.47Å; I237-L239 VanDerWaalsContact C-N 3.3Å; I237-L239 PolarHBondContact O-N 3Å; I237-L240 PolarHBondContact O-N 3.07Å; I237-Q241 PolarHBondContact O-N 3.13Å
238K94.3Very high96.5Very high106 Ų10641.2 Ų41.246%0.46121%0.212SC..Hα-helixtrans-62.9-38.2176.7-169.5172.8179.6176.70111.6I233 D235 L240 Q241 L242I233-K238 HydrophobicContact CG2-CB 4.03Å; I233-K238 HydrophobicContact CG2-CD 4.4Å; I233-K238 HydrophobicContact CG2-CG 4.14Å; D235-K238 HydrophobicContact CB-CB 3.89Å; D235-K238 PolarHBondContact O-N 3.28Å; D235-K238 PolarHBondContact OD1-N 3.2Å; K238-L240 PolarHBondContact O-N 3.23Å; K238-Q241 PolarHBondContact O-N 2.92Å; K238-L242 HydrophobicContact CD-CD1 4.38Å; K238-L242 HydrophobicContact CG-CD1 3.81Å; K238-L242 HydrophobicContact CG-CG 4.05Å; K238-L242 WeakPolarHBondContact O-CB 3.47Å; K238-L242 VanDerWaalsContact O-CG 3.29Å; K238-L242 WeakPolarHBondContact O-CG 3.49Å; K238-L242 PolarHBondContact O-N 2.94Å
239L96Very high96.5Very high3 Ų342 Ų422%0.01622%0.215CC..Hα-helixtrans-55.3-51.9174.3170.459.8000111.1M231 I233 D235 I237 T243 L255 L260 L273M231-L239 HydrophobicContact CB-CD1 4.02Å; M231-L239 HydrophobicContact CG-CD1 3.28Å; I233-L239 HydrophobicContact CB-CB 4.16Å; I233-L239 HydrophobicContact CB-CD1 4.36Å; I233-L239 HydrophobicContact CG2-CB 4.17Å; D235-L239 WeakPolarHBondContact O-CB 3.44Å; D235-L239 PolarHBondContact O-N 3.06Å; I237-L239 VanDerWaalsContact C-N 3.3Å; I237-L239 PolarHBondContact O-N 3Å; L239-T243 WeakPolarHBondContact O-CB 3.49Å; L239-T243 PolarHBondContact O-N 3.35Å; L239-T243 PolarHBondContact O-OG1 2.89Å; L239-L255 HydrophobicContact CD1-CD2 3.83Å; L239-L260 HydrophobicContact CD2-CD2 4.08Å; L239-L273 HydrophobicContact CD2-CD1 4.39Å; L239-L273 HydrophobicContact CD2-CD2 4.45Å; L239-L273 HydrophobicContact CG-CD2 4.32Å
240L96.5Very high96.5Very high45 Ų4542 Ų4224%0.23622%0.215CC..Hα-helixtrans-64-44.4179.1-70.2173.2000111.9P236 I237 K238 T243 D244 L273 L276P236-L240 WeakPolarHBondContact O-CG 3.45Å; P236-L240 PolarHBondContact O-N 3.35Å; I237-L240 PolarHBondContact O-N 3.07Å; K238-L240 PolarHBondContact O-N 3.23Å; L240-T243 PolarHBondContact O-N 3.38Å; L240-D244 WeakPolarHBondContact O-CB 3.39Å; L240-D244 PolarHBondContact O-N 3.34Å; L240-L273 HydrophobicContact CD2-CD2 4.07Å; L240-L273 HydrophobicContact CD2-CG 3.94Å; L240-L276 HydrophobicContact CB-CD1 4.47Å; L240-L276 HydrophobicContact CD2-CD1 3.97Å; L240-L276 WeakPolarHBondContact O-CD1 3.23Å
241Q97Very high96.5Very high125 Ų12541.7 Ų41.758%0.58421%0.213SC*.Hα-helixtrans-59.6-51.6179.3-179.2-177.4-12.900111.9I237 K238 T243 D244 E245I237-Q241 PolarHBondContact O-N 3.13Å; K238-Q241 PolarHBondContact O-N 2.92Å; Q241-T243 VanDerWaalsContact C-N 3.34Å; Q241-T243 PolarHBondContact O-N 3.26Å; Q241-D244 PolarHBondContact O-N 2.79Å; Q241-E245 PolarHBondContact O-N 2.76Å
242L97.9Very high96.6Very high19 Ų1941.6 Ų41.610%0.09921%0.212CC..Hα-helixtrans-67.5-36.4-178.8-66.1-179.1000111.7M231 I233 K238 D244 E245 I246 I450M231-L242 HydrophobicContact CE-CB 4.18Å; M231-L242 HydrophobicContact SD-CB 4.06Å; I233-L242 HydrophobicContact CD1-CD1 3.98Å; I233-L242 HydrophobicContact CG1-CD1 4.24Å; K238-L242 HydrophobicContact CD-CD1 4.38Å; K238-L242 HydrophobicContact CG-CD1 3.81Å; K238-L242 HydrophobicContact CG-CG 4.05Å; K238-L242 WeakPolarHBondContact O-CB 3.47Å; K238-L242 VanDerWaalsContact O-CG 3.29Å; K238-L242 WeakPolarHBondContact O-CG 3.49Å; K238-L242 PolarHBondContact O-N 2.94Å; L242-D244 VanDerWaalsContact C-N 3.33Å; L242-E245 PolarHBondContact O-N 3.1Å; L242-I246 WeakPolarHBondContact O-CG1 3.43Å; L242-I246 PolarHBondContact O-N 3.4Å; L242-I246 VanDerWaalsContact O-N 3.15Å; L242-I450 HydrophobicContact CB-CD1 4.04Å; L242-I450 HydrophobicContact CD1-CD1 4.2Å; L242-I450 HydrophobicContact CD2-CD1 4Å; L242-I450 HydrophobicContact CD2-CG2 4.19Å; L242-I450 HydrophobicContact CG-CD1 4.31Å
243T98.3Very high96.7Very high0 Ų038.2 Ų38.20%019%0.194CC..Hα-helixtrans-62.5-41.2174.2-59.70000111.3L239 L240 Q241 E245 G247 I253 L273 L276 F282L239-T243 WeakPolarHBondContact O-CB 3.49Å; L239-T243 PolarHBondContact O-N 3.35Å; L239-T243 PolarHBondContact O-OG1 2.89Å; L240-T243 PolarHBondContact O-N 3.38Å; Q241-T243 VanDerWaalsContact C-N 3.34Å; Q241-T243 PolarHBondContact O-N 3.26Å; T243-E245 VanDerWaalsContact C-N 3.32Å; T243-E245 PolarHBondContact O-N 2.67Å; T243-G247 WeakPolarHBondContact O-CA 3.2Å; T243-G247 PolarHBondContact O-N 2.77Å; T243-I253 HydrophobicContact CG2-CG1 4.26Å; T243-L273 HydrophobicContact CG2-CD2 4.42Å; T243-L276 HydrophobicContact CG2-CB 4.29Å; T243-L276 HydrophobicContact CG2-CD1 3.85Å; T243-F282 HydrophobicContact CG2-CE1 4.23Å; T243-F282 HydrophobicContact CG2-CE2 4.45Å; T243-F282 HydrophobicContact CG2-CZ 3.65Å
244D98.4Very high96.9Very high57 Ų5737.8 Ų37.831%0.30519%0.191SC..Hα-helixtrans-64.5-37.9176.2-16529.8000111.9L240 Q241 L242 L276 K279 H280L240-D244 WeakPolarHBondContact O-CB 3.39Å; L240-D244 PolarHBondContact O-N 3.34Å; Q241-D244 PolarHBondContact O-N 2.79Å; L242-D244 VanDerWaalsContact C-N 3.33Å; D244-L276 HydrophobicContact CB-CD1 4.21Å; D244-L276 HydrophobicContact CB-CD2 3.66Å; D244-L276 WeakPolarHBondContact OD1-CD2 3.34Å; D244-K279 VanDerWaalsContact CG-NZ 3.3Å; D244-K279 WeakPolarHBondContact OD1-CE 3.2Å; D244-K279 IonicContact OD1-NZ 2.66Å; D244-K279 PolarHBondContact OD1-NZ 3.34Å; D244-K279 IonicContact OD2-NZ 3.51Å; D244-K279 PolarHBondContact OD2-NZ 3.16Å; D244-K279 VanDerWaalsContact OD2-NZ 3.07Å; D244-H280 PolarHBondContact O-CE1 3.49Å; D244-H280 PolarHBondContact O-NE2 3.5Å; D244-H280 IonicContact OD1-CD2 2.82Å; D244-H280 IonicContact OD1-CE1 3.97Å; D244-H280 IonicContact OD1-NE2 3.54Å; D244-H280 PolarHBondContact OD1-NE2 3.03Å
245E98.3Very high97Very high69 Ų6933.7 Ų33.732%0.32217%0.17SC..Hα-helixtrans-67.4-42.5-178-172.7174.8167.400113.2Q241 L242 T243 I450 R451Q241-E245 PolarHBondContact O-N 2.76Å; L242-E245 PolarHBondContact O-N 3.1Å; T243-E245 VanDerWaalsContact C-N 3.32Å; T243-E245 PolarHBondContact O-N 2.67Å; E245-I450 HydrophobicContact CB-CG2 4.44Å; E245-I450 HydrophobicContact CG-CG2 3.96Å; E245-I450 WeakPolarHBondContact OE1-CG2 3.41Å; E245-R451 HydrophobicContact CG-CB 4.16Å; E245-R451 PolarHBondContact O-NE 3.17Å; E245-R451 VanDerWaalsContact O-NE 3.15Å
246I98.2Very high97.1Very high0 Ų032.3 Ų32.30%016%0.161CC..Hα-helixtrans-95.8-6.5-178.371.6166000114.2V229 M231 L242 S248 E249 V250 I253 I450 A454V229-I246 HydrophobicContact CB-CD1 3.72Å; V229-I246 HydrophobicContact CG1-CD1 3.67Å; V229-I246 HydrophobicContact CG2-CD1 3.77Å; M231-I246 HydrophobicContact CE-CD1 3.39Å; M231-I246 HydrophobicContact CE-CG1 3.92Å; L242-I246 WeakPolarHBondContact O-CG1 3.43Å; L242-I246 PolarHBondContact O-N 3.4Å; L242-I246 VanDerWaalsContact O-N 3.15Å; I246-S248 PolarHBondContact O-N 3.35Å; I246-E249 WeakPolarHBondContact O-CB 3.36Å; I246-E249 PolarHBondContact O-N 3.01Å; I246-V250 HydrophobicContact CD1-CG1 4.08Å; I246-V250 HydrophobicContact CG1-CG1 4.45Å; I246-I253 HydrophobicContact CD1-CD1 3.89Å; I246-I253 HydrophobicContact CG1-CD1 4.32Å; I246-I450 HydrophobicContact CG2-CB 4.25Å; I246-I450 HydrophobicContact CG2-CD1 3.94Å; I246-I450 HydrophobicContact CG2-CG1 3.71Å; I246-I450 HydrophobicContact CG2-CG2 3.84Å; I246-A454 HydrophobicContact CB-CB 4.08Å; I246-A454 HydrophobicContact CG2-CB 3.97Å
247G98.2Very high97.2Very high0 Ų031.4 Ų31.40%016%0.155CC..G310 helixtrans-51.5-37.6-169.600000113K223 T243 E249 H280K223-G247 PolarHBondContact NZ-O 3.44Å; T243-G247 WeakPolarHBondContact O-CA 3.2Å; T243-G247 PolarHBondContact O-N 2.77Å; G247-E249 PolarHBondContact O-N 2.87Å; G247-H280 VanDerWaalsContact C-CB 3.49Å
248S97.3Very high97.2Very high34 Ų3428.5 Ų28.524%0.23814%0.141CC..G310 helixtrans-66.4-17.8178.757.70000115K223 I246K223-S248 VanDerWaalsContact CE-C 3.47Å; K223-S248 WeakPolarHBondContact CE-O 3.41Å; I246-S248 PolarHBondContact O-N 3.35Å
249E97.9Very high97.2Very high17 Ų1726.4 Ų26.48%0.07913%0.134CC..G310 helixtrans-97.3-13.9-171.6-53.7-48.3126.100113.8S225 I246 G247 A454 R458S225-E249 VanDerWaalsContact CB-O 3.28Å; S225-E249 WeakPolarHBondContact CB-O 3.43Å; S225-E249 PolarHBondContact OG-O 3.13Å; I246-E249 WeakPolarHBondContact O-CB 3.36Å; I246-E249 PolarHBondContact O-N 3.01Å; G247-E249 PolarHBondContact O-N 2.87Å; E249-A454 HydrophobicContact CB-CB 3.93Å; E249-A454 HydrophobicContact CG-CB 4.12Å; E249-R458 WeakPolarHBondContact O-CD 3.49Å; E249-R458 IonicContact OE1-NH1 2.9Å; E249-R458 IonicContact OE2-CZ 3.55Å; E249-R458 IonicContact OE2-NE 3.36Å; E249-R458 PolarHBondContact OE2-NE 3Å; E249-R458 IonicContact OE2-NH1 2.9Å; E249-R458 PolarHBondContact OE2-NH1 2.82Å; E249-R458 IonicContact OE2-NH2 3.27Å; E249-R458 PolarHBondContact OE2-NH2 3.37Å
250V98.4Very high97Very high0 Ų027.2 Ų27.20%014%0.138CC..  trans-113.5148.4-166.3-56.20000113K223 L227 V229 I246 I253 F282K223-V250 WeakPolarHBondContact CE-O 3.48Å; K223-V250 PolarHBondContact NZ-O 3.02Å; L227-V250 HydrophobicContact CD2-CG1 4.08Å; L227-V250 HydrophobicContact CG-CG1 4.19Å; L227-V250 CarbonylContact O-C 3.48Å; L227-V250 WeakPolarHBondContact O-CA 3.45Å; L227-V250 WeakPolarHBondContact O-CB 3.47Å; V229-V250 HydrophobicContact CB-CG1 4.27Å; V229-V250 HydrophobicContact CG2-CG1 3.56Å; I246-V250 HydrophobicContact CD1-CG1 4.08Å; I246-V250 HydrophobicContact CG1-CG1 4.45Å; V250-I253 HydrophobicContact CB-CD1 4.42Å; V250-I253 HydrophobicContact CG1-CD1 4.32Å; V250-I253 HydrophobicContact CG2-CD1 3.75Å; V250-I253 HydrophobicContact CG2-CG1 4.01Å; V250-F282 HydrophobicContact CG2-CB 3.97Å; V250-F282 HydrophobicContact CG2-CD1 4.23Å; V250-F282 HydrophobicContact CG2-CG 4.2Å
251C97.9Very high96.5Very high0 Ų031.7 Ų31.70%016%0.162CC..SBendtrans-85.6-23.7166.766.20000112.8L216 I219 I220 S225 L227 F282 L283L216-C251 HydrophobicContact CD1-CB 4.21Å; I219-C251 HydrophobicContact CG2-CB 3.83Å; I220-C251 HydrophobicContact CG1-CB 4Å; S225-C251 WeakPolarHBondContact O-CB 3.46Å; S225-C251 PolarHBondContact OG-N 3.15Å; L227-C251 PolarHBondContact O-N 2.94Å; L227-C251 PolarHBondContact O-SG 3.29Å; L227-C251 VanDerWaalsContact O-SG 3.35Å; C251-F282 WeakPolarHBondContact O-CA 3.43Å; C251-L283 PolarHBondContact O-N 2.78Å
252A98.6Very high95.5Very high0 Ų028 Ų280%015%0.15CC..EExtended strand (participates in β ladder)trans-151.1153.9178.600000112.4C228 V229 L283 I285 W401C228-A252 VanDerWaalsContact CA-O 3.24Å; C228-A252 WeakPolarHBondContact CA-O 3.22Å; C228-A252 HydrophobicContact CB-CB 4.14Å; V229-A252 PolarHBondContact N-O 3.31Å; V229-A252 VanDerWaalsContact N-O 3.07Å; A252-L283 CarbonylContact C-O 3.54Å; A252-L283 WeakPolarHBondContact CA-O 3.34Å; A252-L283 HydrophobicContact CB-CB 4.1Å; A252-I285 HydrophobicContact CB-CD1 3.87Å; A252-I285 HydrophobicContact CB-CG1 4.3Å; A252-W401 HydrophobicContact CB-CH2 3.85Å; A252-W401 HydrophobicContact CB-CZ3 3.93Å
253I98.7Very high94Very high1 Ų132.2 Ų32.21%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-115.7125.5167.6-65.1-65.7000107.7V229 M231 T243 I246 V250 L255 F282 L283 I285V229-I253 HydrophobicContact CB-CD1 4Å; M231-I253 HydrophobicContact CB-CG2 4.01Å; M231-I253 HydrophobicContact CE-CD1 4.41Å; T243-I253 HydrophobicContact CG2-CG1 4.26Å; I246-I253 HydrophobicContact CD1-CD1 3.89Å; I246-I253 HydrophobicContact CG1-CD1 4.32Å; V250-I253 HydrophobicContact CB-CD1 4.42Å; V250-I253 HydrophobicContact CG1-CD1 4.32Å; V250-I253 HydrophobicContact CG2-CD1 3.75Å; V250-I253 HydrophobicContact CG2-CG1 4.01Å; I253-L255 HydrophobicContact CG2-CD2 3.67Å; I253-L255 HydrophobicContact CG2-CG 4.08Å; I253-F282 HydrophobicContact CB-CD2 4.11Å; I253-F282 HydrophobicContact CB-CE2 4.01Å; I253-F282 HydrophobicContact CG1-CD2 3.75Å; I253-F282 HydrophobicContact CG1-CE1 4.46Å; I253-F282 HydrophobicContact CG1-CE2 3.69Å; I253-F282 HydrophobicContact CG1-CG 4.19Å; I253-F282 HydrophobicContact CG1-CZ 4.07Å; I253-L283 PolarHBondContact N-O 3.01Å; I253-I285 PolarHBondContact O-N 3.48Å
254K98.5Very high92.7Very high12 Ų1238.2 Ų38.25%0.05221%0.209CC..EExtended strand (participates in β ladder)trans-101.8131175.4-174-166.972.965.20109.5V229 A230 M231 D232 I285 D287 I439V229-K254 PolarHBondContact O-N 2.84Å; A230-K254 CarbonylContact C-O 3.5Å; A230-K254 WeakPolarHBondContact CA-O 3.1Å; A230-K254 VanDerWaalsContact CB-CE 3.41Å; M231-K254 PolarHBondContact N-O 2.76Å; D232-K254 IonicContact OD1-NZ 3.03Å; K254-I285 CarbonylContact C-O 3.36Å; K254-I285 VanDerWaalsContact CA-O 3.31Å; K254-I285 WeakPolarHBondContact CA-O 3.4Å; K254-I285 HydrophobicContact CB-CB 4.22Å; K254-I285 HydrophobicContact CG-CB 4.23Å; K254-I285 HydrophobicContact CG-CG2 4.11Å; K254-D287 HydrophobicContact CD-CB 3.76Å; K254-D287 WeakPolarHBondContact CD-OD2 3.34Å; K254-D287 VanDerWaalsContact CE-OD2 3.31Å; K254-D287 WeakPolarHBondContact CE-OD2 3.17Å; K254-D287 HydrophobicContact CG-CB 3.73Å; K254-D287 IonicContact NZ-OD2 3.23Å; K254-D287 PolarHBondContact NZ-OD2 3.03Å; K254-I439 HydrophobicContact CD-CG2 4.3Å
255L97.6Very high92.1Very high2 Ų239 Ų391%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-120.5159.3-173.5-59.5173.9000111.2M231 L239 I253 L273 I284 I285 E286 D287 W311M231-L255 HydrophobicContact CB-CD2 4.02Å; L239-L255 HydrophobicContact CD1-CD2 3.83Å; I253-L255 HydrophobicContact CG2-CD2 3.67Å; I253-L255 HydrophobicContact CG2-CG 4.08Å; L255-L273 HydrophobicContact CD1-CD1 3.7Å; L255-L273 HydrophobicContact CD1-CD2 4.29Å; L255-I284 HydrophobicContact CD1-CG2 3.86Å; L255-I285 PolarHBondContact N-O 2.8Å; L255-E286 WeakPolarHBondContact CB-OE2 3.37Å; L255-D287 WeakPolarHBondContact O-CB 2.96Å; L255-D287 PolarHBondContact O-N 3.19Å; L255-W311 HydrophobicContact CD1-CZ3 4.23Å
256H96.1Very high91.7Very high43 Ų4336.8 Ų36.820%0.19921%0.205CC..  trans-120.683.4157-93.2-71.9000106.1D232 D258 I259 D287D232-H256 IonicContact OD1-CD2 3.03Å; D232-H256 PolarHBondContact OD1-CD2 3.41Å; H256-D258 IonicContact CG-OD1 3.85Å; H256-D258 IonicContact ND1-OD1 2.71Å; H256-D258 PolarHBondContact ND1-OD1 3.25Å; H256-D258 PolarHBondContact O-N 3.22Å; H256-D258 VanDerWaalsContact O-N 3.13Å; H256-I259 HydrophobicContact CB-CD1 4.12Å; H256-I259 HydrophobicContact CB-CG1 4.04Å; H256-I259 HydrophobicContact CB-CG2 4.13Å; H256-I259 VanDerWaalsContact O-CG1 3.31Å; H256-I259 WeakPolarHBondContact O-CG1 3.49Å; H256-I259 PolarHBondContact O-N 3.22Å; H256-D287 PolarHBondContact CE1-O 2.71Å; H256-D287 PolarHBondContact ND1-O 2.93Å; H256-D287 PolarHBondContact NE2-O 2.94Å; H256-D287 IonicContact NE2-OD2 2.81Å; H256-D287 PolarHBondContact NE2-OD2 3.2Å
257L94Very high91.4Very high3 Ų341.9 Ų41.92%0.01623%0.229CC..G310 helixtrans-66.1-20.1-175.1-161.269.6000111.9I259 L260 I269 I270 L273 E286 Y306 W311L257-I259 VanDerWaalsContact C-N 3.25Å; L257-I259 PolarHBondContact O-N 2.95Å; L257-L260 HydrophobicContact CD1-CD1 3.41Å; L257-L260 VanDerWaalsContact CD1-CD1 3.41Å; L257-L260 HydrophobicContact CD1-CG 4.17Å; L257-L260 HydrophobicContact CG-CD1 4.02Å; L257-L260 PolarHBondContact O-N 3.44Å; L257-I269 HydrophobicContact CD1-CG2 4.44Å; L257-I270 HydrophobicContact CD2-CD1 4.03Å; L257-I270 HydrophobicContact CD2-CG1 3.77Å; L257-L273 HydrophobicContact CD1-CD1 4.22Å; L257-E286 PolarHBondContact N-OE1 3.22Å; L257-E286 PolarHBondContact N-OE2 2.83Å; L257-Y306 HydrophobicContact CD2-CD1 3.48Å; L257-Y306 VanDerWaalsContact CD2-CD1 3.48Å; L257-Y306 HydrophobicContact CD2-CE1 4.04Å; L257-Y306 HydrophobicContact CD2-CG 3.96Å; L257-Y306 HydrophobicContact CG-CD1 3.98Å; L257-Y306 HydrophobicContact CG-CE1 4.04Å; L257-Y306 HydrophobicContact CG-CG 4.49Å; L257-Y306 PolarHBondContact O-OH 3.33Å; L257-W311 HydrophobicContact CB-CH2 4.36Å; L257-W311 HydrophobicContact CD2-CH2 3.88Å; L257-W311 HydrophobicContact CD2-CZ2 3.53Å
258D93.2Very high91.1Very high63 Ų6347.9 Ų47.934%0.33726%0.258SS..G310 helixtrans-70.8-9.8178.965.2-59.9000115.4H256 R288 Y306H256-D258 IonicContact CG-OD1 3.85Å; H256-D258 IonicContact ND1-OD1 2.71Å; H256-D258 PolarHBondContact ND1-OD1 3.25Å; H256-D258 PolarHBondContact O-N 3.22Å; H256-D258 VanDerWaalsContact O-N 3.13Å; D258-R288 IonicContact OD1-NH1 3.74Å; D258-R288 PolarHBondContact OD1-NH1 2.98Å; D258-R288 IonicContact OD2-CZ 3.37Å; D258-R288 IonicContact OD2-NH1 3.77Å; D258-R288 PolarHBondContact OD2-NH1 3.06Å; D258-Y306 HydrophobicContact CB-CE2 4.42Å
259I94.1Very high90.9Very high62 Ų6246.9 Ų46.932%0.31825%0.25SC..G310 helixtrans-98.81.2178.373172.2000114D232 L234 H256 L257 L261D232-I259 HydrophobicContact CB-CD1 4.17Å; L234-I259 HydrophobicContact CD2-CB 4.14Å; L234-I259 HydrophobicContact CD2-CD1 3.84Å; L234-I259 HydrophobicContact CD2-CG1 3.96Å; L234-I259 VanDerWaalsContact CD2-O 3.31Å; L234-I259 WeakPolarHBondContact CD2-O 3.14Å; H256-I259 HydrophobicContact CB-CD1 4.12Å; H256-I259 HydrophobicContact CB-CG1 4.04Å; H256-I259 HydrophobicContact CB-CG2 4.13Å; H256-I259 VanDerWaalsContact O-CG1 3.31Å; H256-I259 WeakPolarHBondContact O-CG1 3.49Å; H256-I259 PolarHBondContact O-N 3.22Å; L257-I259 VanDerWaalsContact C-N 3.25Å; L257-I259 PolarHBondContact O-N 2.95Å; I259-L261 PolarHBondContact O-N 3.19Å
260L91.3Very high90.8Very high20 Ų2047 Ų4711%0.10525%0.251CS..  trans-61.3131.5-179.2-72.6-179.3000111.6I233 P236 L239 L257 S262 I269I233-L260 WeakPolarHBondContact O-CD2 3.49Å; P236-L260 HydrophobicContact CB-CD1 4.42Å; P236-L260 HydrophobicContact CB-CD2 4.2Å; L239-L260 HydrophobicContact CD2-CD2 4.08Å; L257-L260 HydrophobicContact CD1-CD1 3.41Å; L257-L260 VanDerWaalsContact CD1-CD1 3.41Å; L257-L260 HydrophobicContact CD1-CG 4.17Å; L257-L260 HydrophobicContact CG-CD1 4.02Å; L257-L260 PolarHBondContact O-N 3.44Å; L260-S262 PolarHBondContact O-N 3.02Å; L260-S262 VanDerWaalsContact O-N 3.11Å; L260-I269 HydrophobicContact CD1-CD1 4.12Å; L260-I269 HydrophobicContact CD1-CG2 4.2Å
261L86.1Confident90.7Very high138 Ų13852.2 Ų52.272%0.72328%0.275SS*.SBendtrans-67.4-11.8-177.4-73.3169.7000114.2L234 I259L234-L261 HydrophobicContact CB-CD1 3.75Å; L234-L261 HydrophobicContact CB-CG 3.92Å; L234-L261 HydrophobicContact CD1-CD1 4.28Å; L234-L261 PolarHBondContact O-N 2.98Å; I259-L261 PolarHBondContact O-N 3.19Å
262S76.3Confident90.6Very high48 Ų4853 Ų5334%0.33628%0.284SS..  trans-142.3131.7179.81750000111.7L260 T264L260-S262 PolarHBondContact O-N 3.02Å; L260-S262 VanDerWaalsContact O-N 3.11Å; S262-T264 PolarHBondContact OG-N 3.19Å; S262-T264 PolarHBondContact OG-OG1 3.4Å
263N66.6Low90.6Very high108 Ų10853.1 Ų53.158%0.57828%0.284SS*.  trans-108.518.5175.570.6-7.3000112.5N265 P266N263-N265 PolarHBondContact O-N 2.71Å; N263-P266 WeakPolarHBondContact O-CD 3.48Å
264T70.5Confident90.5Very high125 Ų12554.5 Ų54.577%0.76729%0.294SS*.SBendtrans-67-20.9-172.9-18.10000112.9S262S262-T264 PolarHBondContact OG-N 3.19Å; S262-T264 PolarHBondContact OG-OG1 3.4Å
265N86.3Confident90.5Very high74 Ų7458.3 Ų58.340%0.39632%0.315SS..  trans-156.572.1172.7-163.3-19000112.7N263 E267 M268 I269N263-N265 PolarHBondContact O-N 2.71Å; N265-E267 PolarHBondContact O-N 3.43Å; N265-M268 HydrophobicContact CB-CB 4.26Å; N265-M268 VanDerWaalsContact CG-CB 3.5Å; N265-M268 PolarHBondContact O-N 2.85Å; N265-M268 WeakPolarHBondContact OD1-CB 3.22Å; N265-M268 PolarHBondContact OD1-N 2.91Å; N265-M268 VanDerWaalsContact OD1-N 3.07Å; N265-I269 PolarHBondContact O-N 3.17Å
266P89.5Confident90.5Very high22 Ų2259.1 Ų59.114%0.14332%0.319CS..Hα-helixtrans-61.2-33.3179.826.2-35.8000112N263 M268 I269 I270 V305 Y306N263-P266 WeakPolarHBondContact O-CD 3.48Å; P266-M268 PolarHBondContact O-N 2.7Å; P266-I269 PolarHBondContact O-N 3.09Å; P266-I270 HydrophobicContact CB-CD1 4.44Å; P266-I270 WeakPolarHBondContact O-CB 3.42Å; P266-I270 WeakPolarHBondContact O-CD1 3.34Å; P266-I270 VanDerWaalsContact O-CG1 3.22Å; P266-I270 WeakPolarHBondContact O-CG1 3.45Å; P266-I270 PolarHBondContact O-N 3.17Å; P266-V305 HydrophobicContact CG-CG1 4.03Å; P266-Y306 HydrophobicContact CB-CD1 4.01Å; P266-Y306 HydrophobicContact CB-CE1 4.05Å
267E91.5Very high90.6Very high108 Ų10857.3 Ų57.351%0.50531%0.311SS..Hα-helixtrans-62.5-41.9-179.2-64.1-172.516000111.9N265 I269 I270 Q271 R307N265-E267 PolarHBondContact O-N 3.43Å; E267-I269 VanDerWaalsContact C-N 3.34Å; E267-I269 PolarHBondContact O-N 2.81Å; E267-I270 PolarHBondContact O-N 2.99Å; E267-Q271 VanDerWaalsContact O-CB 3.29Å; E267-Q271 WeakPolarHBondContact O-CB 3.38Å; E267-Q271 PolarHBondContact O-N 3.24Å; E267-R307 IonicContact OE1-CZ 2.89Å; E267-R307 IonicContact OE1-NH1 2.88Å; E267-R307 IonicContact OE1-NH2 3.95Å; E267-R307 PolarHBondContact OE1-NH2 3.27Å
268M93Very high90.7Very high125 Ų12562.9 Ų62.962%0.61635%0.345SS*.Hα-helixtrans-65.7-37.9176.6-171.517974.700112.2N265 P266 G272N265-M268 HydrophobicContact CB-CB 4.26Å; N265-M268 VanDerWaalsContact CG-CB 3.5Å; N265-M268 PolarHBondContact O-N 2.85Å; N265-M268 WeakPolarHBondContact OD1-CB 3.22Å; N265-M268 PolarHBondContact OD1-N 2.91Å; N265-M268 VanDerWaalsContact OD1-N 3.07Å; P266-M268 PolarHBondContact O-N 2.7Å; M268-G272 PolarHBondContact O-N 3.07Å
269I93.7Very high90.9Very high13 Ų1366.2 Ų66.27%0.06736%0.357CS..Hα-helixtrans-67.7-47.8177.8-61.7160.6000110P236 L257 L260 N265 P266 E267 Q271 G272 L273P236-I269 HydrophobicContact CB-CD1 3.4Å; P236-I269 HydrophobicContact CB-CG1 3.83Å; P236-I269 HydrophobicContact CB-CG2 4.36Å; P236-I269 HydrophobicContact CG-CD1 4.06Å; L257-I269 HydrophobicContact CD1-CG2 4.44Å; L260-I269 HydrophobicContact CD1-CD1 4.12Å; L260-I269 HydrophobicContact CD1-CG2 4.2Å; N265-I269 PolarHBondContact O-N 3.17Å; P266-I269 PolarHBondContact O-N 3.09Å; E267-I269 VanDerWaalsContact C-N 3.34Å; E267-I269 PolarHBondContact O-N 2.81Å; I269-Q271 VanDerWaalsContact C-N 3.34Å; I269-Q271 PolarHBondContact O-N 3.25Å; I269-G272 PolarHBondContact O-N 3.23Å; I269-G272 VanDerWaalsContact O-N 3.16Å; I269-L273 HydrophobicContact CG2-CD1 4.21Å; I269-L273 WeakPolarHBondContact O-CG 3.49Å; I269-L273 PolarHBondContact O-N 3.31Å
270I95.2Very high91.1Very high21 Ų2164.9 Ų64.911%0.10835%0.349CS..Hα-helixtrans-58-47.4176-70.6163000110.2L257 P266 E267 G272 L273 C274 W311L257-I270 HydrophobicContact CD2-CD1 4.03Å; L257-I270 HydrophobicContact CD2-CG1 3.77Å; P266-I270 HydrophobicContact CB-CD1 4.44Å; P266-I270 WeakPolarHBondContact O-CB 3.42Å; P266-I270 WeakPolarHBondContact O-CD1 3.34Å; P266-I270 VanDerWaalsContact O-CG1 3.22Å; P266-I270 WeakPolarHBondContact O-CG1 3.45Å; P266-I270 PolarHBondContact O-N 3.17Å; E267-I270 PolarHBondContact O-N 2.99Å; I270-G272 VanDerWaalsContact C-N 3.3Å; I270-G272 PolarHBondContact O-N 3.1Å; I270-L273 PolarHBondContact O-N 3.22Å; I270-C274 PolarHBondContact O-N 2.88Å; I270-C274 PolarHBondContact O-SG 2.93Å; I270-W311 HydrophobicContact CG1-CD2 4.48Å; I270-W311 HydrophobicContact CG1-CZ2 4.45Å; I270-W311 HydrophobicContact CG2-CB 3.74Å; I270-W311 HydrophobicContact CG2-CD2 3.9Å; I270-W311 HydrophobicContact CG2-CG 3.44Å; I270-W311 VanDerWaalsContact CG2-CG 3.44Å
271Q95.7Very high91.4Very high108 Ų10865.3 Ų65.351%0.50536%0.358SS..Hα-helixtrans-61.5-39.9177.6-173.661.960.600111.8E267 I269 C274 N275E267-Q271 VanDerWaalsContact O-CB 3.29Å; E267-Q271 WeakPolarHBondContact O-CB 3.38Å; E267-Q271 PolarHBondContact O-N 3.24Å; I269-Q271 VanDerWaalsContact C-N 3.34Å; I269-Q271 PolarHBondContact O-N 3.25Å; Q271-C274 PolarHBondContact O-N 3.13Å; Q271-N275 PolarHBondContact NE2-OD1 3.2Å; Q271-N275 WeakPolarHBondContact O-CB 3.27Å; Q271-N275 PolarHBondContact O-N 3.48Å; Q271-N275 PolarHBondContact O-ND2 2.75Å; Q271-N275 PolarHBondContact O-OD1 2.66Å
272G96.7Very high91.9Very high17 Ų1758.8 Ų58.818%0.17532%0.324CS..Hα-helixtrans-58.8-47.9173.200000112.1M268 I269 I270 N275 L276M268-G272 PolarHBondContact O-N 3.07Å; I269-G272 PolarHBondContact O-N 3.23Å; I269-G272 VanDerWaalsContact O-N 3.16Å; I270-G272 VanDerWaalsContact C-N 3.3Å; I270-G272 PolarHBondContact O-N 3.1Å; G272-N275 PolarHBondContact O-N 3.49Å; G272-L276 VanDerWaalsContact O-CG 3.32Å; G272-L276 WeakPolarHBondContact O-CG 3.34Å; G272-L276 PolarHBondContact O-N 3.47Å
273L97.3Very high93Very high2 Ų256.5 Ų56.51%0.0131%0.308CS..Hα-helixtrans-61.5-44.1176.8-70165.5000112L239 L240 T243 L255 L257 I269 I270 N275 L276 S277 I284L239-L273 HydrophobicContact CD2-CD1 4.39Å; L239-L273 HydrophobicContact CD2-CD2 4.45Å; L239-L273 HydrophobicContact CG-CD2 4.32Å; L240-L273 HydrophobicContact CD2-CD2 4.07Å; L240-L273 HydrophobicContact CD2-CG 3.94Å; T243-L273 HydrophobicContact CG2-CD2 4.42Å; L255-L273 HydrophobicContact CD1-CD1 3.7Å; L255-L273 HydrophobicContact CD1-CD2 4.29Å; L257-L273 HydrophobicContact CD1-CD1 4.22Å; I269-L273 HydrophobicContact CG2-CD1 4.21Å; I269-L273 WeakPolarHBondContact O-CG 3.49Å; I269-L273 PolarHBondContact O-N 3.31Å; I270-L273 PolarHBondContact O-N 3.22Å; L273-N275 PolarHBondContact O-N 2.85Å; L273-L276 PolarHBondContact O-N 3.32Å; L273-S277 WeakPolarHBondContact O-CB 3.29Å; L273-S277 PolarHBondContact O-N 2.85Å; L273-I284 HydrophobicContact CB-CD1 4.36Å
274C96.8Very high94.5Very high31 Ų3151.6 Ų51.621%0.20928%0.282CS..Hα-helixtrans-60.6-43.8174.7-67.30000111.9I270 Q271 L276 S277 V278I270-C274 PolarHBondContact O-N 2.88Å; I270-C274 PolarHBondContact O-SG 2.93Å; Q271-C274 PolarHBondContact O-N 3.13Å; C274-L276 VanDerWaalsContact C-N 3.32Å; C274-L276 PolarHBondContact O-N 2.88Å; C274-S277 WeakPolarHBondContact O-CB 3.26Å; C274-S277 PolarHBondContact O-N 3.41Å; C274-V278 WeakPolarHBondContact O-CG2 3.45Å; C274-V278 PolarHBondContact O-N 3.38Å
275N98.4Very high95.8Very high91 Ų9145.7 Ų45.749%0.48725%0.245SC..Hα-helixtrans-62.3-40.8177.2-69.4-11.1000111.4Q271 G272 L273 V278 K279Q271-N275 PolarHBondContact NE2-OD1 3.2Å; Q271-N275 WeakPolarHBondContact O-CB 3.27Å; Q271-N275 PolarHBondContact O-N 3.48Å; Q271-N275 PolarHBondContact O-ND2 2.75Å; Q271-N275 PolarHBondContact O-OD1 2.66Å; G272-N275 PolarHBondContact O-N 3.49Å; L273-N275 PolarHBondContact O-N 2.85Å; N275-V278 PolarHBondContact O-N 2.91Å; N275-K279 VanDerWaalsContact O-CB 3.27Å; N275-K279 WeakPolarHBondContact O-CB 3.38Å; N275-K279 PolarHBondContact O-N 3.09Å
276L98.4Very high96.4Very high19 Ų1942.1 Ų42.110%0.09923%0.227CC..Hα-helixtrans-67.6-39.7176.3-68.3176.8000112.3L240 T243 D244 G272 L273 C274 V278 K279 H280 F282L240-L276 HydrophobicContact CB-CD1 4.47Å; L240-L276 HydrophobicContact CD2-CD1 3.97Å; L240-L276 WeakPolarHBondContact O-CD1 3.23Å; T243-L276 HydrophobicContact CG2-CB 4.29Å; T243-L276 HydrophobicContact CG2-CD1 3.85Å; D244-L276 HydrophobicContact CB-CD1 4.21Å; D244-L276 HydrophobicContact CB-CD2 3.66Å; D244-L276 WeakPolarHBondContact OD1-CD2 3.34Å; G272-L276 VanDerWaalsContact O-CG 3.32Å; G272-L276 WeakPolarHBondContact O-CG 3.34Å; G272-L276 PolarHBondContact O-N 3.47Å; L273-L276 PolarHBondContact O-N 3.32Å; C274-L276 VanDerWaalsContact C-N 3.32Å; C274-L276 PolarHBondContact O-N 2.88Å; L276-V278 VanDerWaalsContact C-N 3.31Å; L276-V278 PolarHBondContact O-N 3.25Å; L276-K279 HydrophobicContact CD2-CD 4.2Å; L276-K279 PolarHBondContact O-N 3.36Å; L276-H280 WeakPolarHBondContact O-CB 3.5Å; L276-H280 PolarHBondContact O-CD2 3.1Å; L276-H280 PolarHBondContact O-N 2.81Å; L276-F282 HydrophobicContact CB-CE1 4.31Å; L276-F282 HydrophobicContact CB-CZ 3.97Å; L276-F282 VanDerWaalsContact O-CE1 3.27Å; L276-F282 WeakPolarHBondContact O-CE1 3.38Å
277S97.9Very high96.8Very high6 Ų641.7 Ų41.74%0.04222%0.223CC..Hα-helixtrans-58.6-42.6174.2165.30000111.7L273 C274 G281 F282L273-S277 WeakPolarHBondContact O-CB 3.29Å; L273-S277 PolarHBondContact O-N 2.85Å; C274-S277 WeakPolarHBondContact O-CB 3.26Å; C274-S277 PolarHBondContact O-N 3.41Å; S277-G281 VanDerWaalsContact O-CA 3.23Å; S277-G281 WeakPolarHBondContact O-CA 3.23Å; S277-G281 PolarHBondContact O-N 3.41Å; S277-F282 VanDerWaalsContact CA-CZ 3.42Å; S277-F282 VanDerWaalsContact N-CZ 3.32Å; S277-F282 PolarHBondContact O-N 3.18Å; S277-F282 PolarHBondContact OG-O 2.75Å
278V96.1Very high97.1Very high120 Ų12040.8 Ų40.873%0.72722%0.215SC*.Hα-helixtrans-69.2-47.1174.6174.70000111.3C274 N275 L276 H280C274-V278 WeakPolarHBondContact O-CG2 3.45Å; C274-V278 PolarHBondContact O-N 3.38Å; N275-V278 PolarHBondContact O-N 2.91Å; L276-V278 VanDerWaalsContact C-N 3.31Å; L276-V278 PolarHBondContact O-N 3.25Å; V278-H280 VanDerWaalsContact C-N 3.31Å; V278-H280 PolarHBondContact O-N 3.22Å
279K98.1Very high97.3Very high132 Ų13237.8 Ų37.857%0.57420%0.199SC*.Hα-helixtrans-56.4-43.7-178.9177.2-176.8175-174.40112.3D244 N275 L276D244-K279 VanDerWaalsContact CG-NZ 3.3Å; D244-K279 WeakPolarHBondContact OD1-CE 3.2Å; D244-K279 IonicContact OD1-NZ 2.66Å; D244-K279 PolarHBondContact OD1-NZ 3.34Å; D244-K279 IonicContact OD2-NZ 3.51Å; D244-K279 PolarHBondContact OD2-NZ 3.16Å; D244-K279 VanDerWaalsContact OD2-NZ 3.07Å; N275-K279 VanDerWaalsContact O-CB 3.27Å; N275-K279 WeakPolarHBondContact O-CB 3.38Å; N275-K279 PolarHBondContact O-N 3.09Å; L276-K279 HydrophobicContact CD2-CD 4.2Å; L276-K279 PolarHBondContact O-N 3.36Å
280H97.9Very high97.5Very high35 Ų3537.5 Ų37.516%0.16220%0.197CC..Hα-helixtrans-107.7-8-171.5-67.6-69.7000114.7K223 D244 G247 L276 V278 F282K223-H280 PolarHBondContact NZ-O 3.37Å; D244-H280 PolarHBondContact O-CE1 3.49Å; D244-H280 PolarHBondContact O-NE2 3.5Å; D244-H280 IonicContact OD1-CD2 2.82Å; D244-H280 IonicContact OD1-CE1 3.97Å; D244-H280 IonicContact OD1-NE2 3.54Å; D244-H280 PolarHBondContact OD1-NE2 3.03Å; G247-H280 VanDerWaalsContact C-CB 3.49Å; L276-H280 WeakPolarHBondContact O-CB 3.5Å; L276-H280 PolarHBondContact O-CD2 3.1Å; L276-H280 PolarHBondContact O-N 2.81Å; V278-H280 VanDerWaalsContact C-N 3.31Å; V278-H280 PolarHBondContact O-N 3.22Å; H280-F282 HydrophobicContact CB-CD1 3.76Å; H280-F282 HydrophobicContact CB-CE1 3.87Å
281G96.6Very high97.6Very high29 Ų2938.7 Ų38.730%0.29921%0.21SC..THydrogen-bonded Turntrans6474.1-178.800000112.5I219 K223 S277I219-G281 VanDerWaalsContact CG2-O 3.28Å; I219-G281 WeakPolarHBondContact CG2-O 3.28Å; K223-G281 VanDerWaalsContact CD-O 3.27Å; K223-G281 WeakPolarHBondContact CD-O 3.37Å; K223-G281 PolarHBondContact NZ-O 3.11Å; S277-G281 VanDerWaalsContact O-CA 3.23Å; S277-G281 WeakPolarHBondContact O-CA 3.23Å; S277-G281 PolarHBondContact O-N 3.41Å
282F98.3Very high97.7Very high1 Ų136.6 Ų36.60%0.00420%0.202CC..  trans-141.4156.4171.260.2-104.7000111T243 V250 C251 I253 L276 S277 H280 I284T243-F282 HydrophobicContact CG2-CE1 4.23Å; T243-F282 HydrophobicContact CG2-CE2 4.45Å; T243-F282 HydrophobicContact CG2-CZ 3.65Å; V250-F282 HydrophobicContact CG2-CB 3.97Å; V250-F282 HydrophobicContact CG2-CD1 4.23Å; V250-F282 HydrophobicContact CG2-CG 4.2Å; C251-F282 WeakPolarHBondContact O-CA 3.43Å; I253-F282 HydrophobicContact CB-CD2 4.11Å; I253-F282 HydrophobicContact CB-CE2 4.01Å; I253-F282 HydrophobicContact CG1-CD2 3.75Å; I253-F282 HydrophobicContact CG1-CE1 4.46Å; I253-F282 HydrophobicContact CG1-CE2 3.69Å; I253-F282 HydrophobicContact CG1-CG 4.19Å; I253-F282 HydrophobicContact CG1-CZ 4.07Å; L276-F282 HydrophobicContact CB-CE1 4.31Å; L276-F282 HydrophobicContact CB-CZ 3.97Å; L276-F282 VanDerWaalsContact O-CE1 3.27Å; L276-F282 WeakPolarHBondContact O-CE1 3.38Å; S277-F282 VanDerWaalsContact CA-CZ 3.42Å; S277-F282 VanDerWaalsContact N-CZ 3.32Å; S277-F282 PolarHBondContact O-N 3.18Å; S277-F282 PolarHBondContact OG-O 2.75Å; H280-F282 HydrophobicContact CB-CD1 3.76Å; H280-F282 HydrophobicContact CB-CE1 3.87Å; F282-I284 HydrophobicContact CD2-CG1 4.37Å; F282-I284 HydrophobicContact CE2-CG1 4.01Å
283L98.2Very high97.8Very high0 Ų041 Ų410%022%0.221CC..EExtended strand (participates in β ladder)trans-81.4146171.3-60.6-172.6000111.6R215 L216 I219 C251 A252 I253 D313 M314R215-L283 HydrophobicContact CB-CD2 4.42Å; R215-L283 HydrophobicContact CG-CD2 3.88Å; L216-L283 HydrophobicContact CB-CD1 3.86Å; L216-L283 HydrophobicContact CD1-CD1 4.08Å; I219-L283 HydrophobicContact CD1-CD2 3.77Å; I219-L283 HydrophobicContact CD1-CG 3.89Å; C251-L283 PolarHBondContact O-N 2.78Å; A252-L283 CarbonylContact C-O 3.54Å; A252-L283 WeakPolarHBondContact CA-O 3.34Å; A252-L283 HydrophobicContact CB-CB 4.1Å; I253-L283 PolarHBondContact N-O 3.01Å; L283-D313 WeakPolarHBondContact CA-OD2 3.36Å; L283-D313 HydrophobicContact CB-CB 4.12Å; L283-D313 HydrophobicContact CD2-CB 4.1Å; L283-M314 HydrophobicContact CD1-CE 3.9Å
284I98.5Very high97.8Very high4 Ų441.8 Ų41.82%0.02123%0.229CC..EExtended strand (participates in β ladder)trans-99.6126.5172.9-57.4172.9000109.1L255 L273 F282 W311 C312 D313 M314L255-I284 HydrophobicContact CD1-CG2 3.86Å; L273-I284 HydrophobicContact CB-CD1 4.36Å; F282-I284 HydrophobicContact CD2-CG1 4.37Å; F282-I284 HydrophobicContact CE2-CG1 4.01Å; I284-W311 HydrophobicContact CG2-CE3 3.86Å; I284-W311 HydrophobicContact CG2-CZ3 3.52Å; I284-C312 HydrophobicContact CG2-CB 4.41Å; I284-D313 PolarHBondContact N-OD2 3.1Å; I284-D313 WeakPolarHBondContact O-CA 3.18Å; I284-D313 WeakPolarHBondContact O-CB 3.3Å; I284-D313 PolarHBondContact O-N 3.34Å; I284-M314 PolarHBondContact O-N 3.45Å
285I98.6Very high97.9Very high1 Ų145.6 Ų45.61%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-119.3130.6179.2-53-178.8000109.1A252 I253 K254 L255 M314 T316 L348 W401A252-I285 HydrophobicContact CB-CD1 3.87Å; A252-I285 HydrophobicContact CB-CG1 4.3Å; I253-I285 PolarHBondContact O-N 3.48Å; K254-I285 CarbonylContact C-O 3.36Å; K254-I285 VanDerWaalsContact CA-O 3.31Å; K254-I285 WeakPolarHBondContact CA-O 3.4Å; K254-I285 HydrophobicContact CB-CB 4.22Å; K254-I285 HydrophobicContact CG-CB 4.23Å; K254-I285 HydrophobicContact CG-CG2 4.11Å; L255-I285 PolarHBondContact N-O 2.8Å; I285-M314 CarbonylContact C-O 3.57Å; I285-M314 VanDerWaalsContact CA-O 3.27Å; I285-M314 WeakPolarHBondContact CA-O 3.34Å; I285-M314 HydrophobicContact CG1-CB 4.13Å; I285-M314 HydrophobicContact CG2-CB 4.27Å; I285-T316 HydrophobicContact CG2-CG2 4.38Å; I285-L348 HydrophobicContact CD1-CD2 4.42Å; I285-L348 HydrophobicContact CG2-CD2 4.28Å; I285-W401 HydrophobicContact CD1-CE3 4Å; I285-W401 HydrophobicContact CD1-CH2 3.36Å; I285-W401 HydrophobicContact CD1-CZ2 4.21Å; I285-W401 HydrophobicContact CD1-CZ3 3.21Å
286E98Very high97.9Very high0 Ų043.4 Ų43.40%023%0.234CC..EExtended strand (participates in β ladder)trans-105.8114.2178-171.241.9-143.900109.3L255 L257 R288 I308 W311 C312 M314 I315 T316L255-E286 WeakPolarHBondContact CB-OE2 3.37Å; L257-E286 PolarHBondContact N-OE1 3.22Å; L257-E286 PolarHBondContact N-OE2 2.83Å; E286-R288 VanDerWaalsContact C-N 3.28Å; E286-R288 HydrophobicContact CG-CG 3.68Å; E286-R288 PolarHBondContact O-N 2.82Å; E286-R288 VanDerWaalsContact OE1-CD 3.26Å; E286-R288 WeakPolarHBondContact OE1-CD 3.35Å; E286-I308 HydrophobicContact CG-CB 4.17Å; E286-I308 HydrophobicContact CG-CD1 4.42Å; E286-I308 HydrophobicContact CG-CG2 3.91Å; E286-W311 HydrophobicContact CB-CH2 4.22Å; E286-W311 HydrophobicContact CG-CH2 3.99Å; E286-W311 HydrophobicContact CG-CZ2 4.45Å; E286-W311 WeakPolarHBondContact OE2-CH2 3.44Å; E286-C312 HydrophobicContact CB-CB 4.02Å; E286-M314 PolarHBondContact N-O 2.88Å; E286-I315 WeakPolarHBondContact O-CA 3.28Å; E286-T316 PolarHBondContact O-N 3.33Å; E286-T316 VanDerWaalsContact O-N 3.1Å
287D97.9Very high97.9Very high13 Ų1342.5 Ų42.57%0.0723%0.229CC..EExtended strand (participates in β ladder)trans-86.554.7-168.2-166.66.1000113.5K254 L255 H256 K289 T316K254-D287 HydrophobicContact CD-CB 3.76Å; K254-D287 WeakPolarHBondContact CD-OD2 3.34Å; K254-D287 VanDerWaalsContact CE-OD2 3.31Å; K254-D287 WeakPolarHBondContact CE-OD2 3.17Å; K254-D287 HydrophobicContact CG-CB 3.73Å; K254-D287 IonicContact NZ-OD2 3.23Å; K254-D287 PolarHBondContact NZ-OD2 3.03Å; L255-D287 WeakPolarHBondContact O-CB 2.96Å; L255-D287 PolarHBondContact O-N 3.19Å; H256-D287 PolarHBondContact CE1-O 2.71Å; H256-D287 PolarHBondContact ND1-O 2.93Å; H256-D287 PolarHBondContact NE2-O 2.94Å; H256-D287 IonicContact NE2-OD2 2.81Å; H256-D287 PolarHBondContact NE2-OD2 3.2Å; D287-K289 PolarHBondContact O-N 2.9Å; D287-K289 WeakPolarHBondContact OD1-CG 3.46Å; D287-K289 IonicContact OD1-NZ 3.79Å; D287-K289 PolarHBondContact OD1-NZ 3.4Å; D287-K289 IonicContact OD2-NZ 2.64Å; D287-K289 PolarHBondContact OD2-NZ 2.71Å; D287-T316 WeakPolarHBondContact CA-OG1 3.21Å; D287-T316 HydrophobicContact CB-CG2 4.37Å; D287-T316 WeakPolarHBondContact OD1-CB 3.36Å; D287-T316 VanDerWaalsContact OD1-CG2 3.26Å; D287-T316 WeakPolarHBondContact OD1-CG2 3.22Å; D287-T316 PolarHBondContact OD1-OG1 3.44Å
288R97.2Very high97.9Very high89 Ų8944.4 Ų44.434%0.33624%0.236SC..EExtended strand (participates in β ladder)trans-81.2-12.8-173.1-62.6-70.6-65.3137.8-6.3114.8D258 E286 L290 I308 I315 T316D258-R288 IonicContact OD1-NH1 3.74Å; D258-R288 PolarHBondContact OD1-NH1 2.98Å; D258-R288 IonicContact OD2-CZ 3.37Å; D258-R288 IonicContact OD2-NH1 3.77Å; D258-R288 PolarHBondContact OD2-NH1 3.06Å; E286-R288 VanDerWaalsContact C-N 3.28Å; E286-R288 HydrophobicContact CG-CG 3.68Å; E286-R288 PolarHBondContact O-N 2.82Å; E286-R288 VanDerWaalsContact OE1-CD 3.26Å; E286-R288 WeakPolarHBondContact OE1-CD 3.35Å; R288-L290 HydrophobicContact CB-CD2 3.62Å; R288-L290 HydrophobicContact CB-CG 4.03Å; R288-L290 PolarHBondContact O-N 2.72Å; R288-I308 HydrophobicContact CG-CD1 4.02Å; R288-I315 HydrophobicContact CB-CG2 4.24Å; R288-T316 PolarHBondContact N-OG1 3.42Å; R288-T316 VanDerWaalsContact N-OG1 3.15Å
289K97Very high98Very high62 Ų6242 Ų4227%0.2722%0.219SC..EExtended strand (participates in β ladder)trans45.248.4-177.6-58.4-177.1-177.859.20111.7D287 A291 T316 V350D287-K289 PolarHBondContact O-N 2.9Å; D287-K289 WeakPolarHBondContact OD1-CG 3.46Å; D287-K289 IonicContact OD1-NZ 3.79Å; D287-K289 PolarHBondContact OD1-NZ 3.4Å; D287-K289 IonicContact OD2-NZ 2.64Å; D287-K289 PolarHBondContact OD2-NZ 2.71Å; K289-A291 PolarHBondContact O-N 3.01Å; K289-T316 CarbonylContact C-O 3.57Å; K289-T316 WeakPolarHBondContact CA-O 3.41Å; K289-T316 WeakPolarHBondContact CA-OG1 3.43Å; K289-T316 WeakPolarHBondContact CG-OG1 3.17Å; K289-T316 PolarHBondContact N-O 3.25Å; K289-T316 PolarHBondContact N-OG1 2.97Å; K289-V350 HydrophobicContact CG-CG2 4.41Å
290L98.3Very high98Very high6 Ų639.1 Ų39.13%0.03121%0.208CC..EExtended strand (participates in β ladder)trans-56.1130.8-174.7-55.7179.8000110.4R288 V297 Q300 L301 I315 T316 V317 H318R288-L290 HydrophobicContact CB-CD2 3.62Å; R288-L290 HydrophobicContact CB-CG 4.03Å; R288-L290 PolarHBondContact O-N 2.72Å; L290-V297 HydrophobicContact CB-CG2 4.45Å; L290-V297 HydrophobicContact CD1-CG1 4.07Å; L290-Q300 HydrophobicContact CD2-CB 4.33Å; L290-L301 HydrophobicContact CD1-CD2 3.78Å; L290-L301 HydrophobicContact CD1-CG 4.05Å; L290-I315 HydrophobicContact CD1-CG2 3.91Å; L290-I315 HydrophobicContact CG-CG2 4.09Å; L290-T316 PolarHBondContact N-O 3.22Å; L290-V317 HydrophobicContact CB-CG1 4.11Å; L290-V317 CarbonylContact O-C 3.58Å; L290-V317 WeakPolarHBondContact O-CA 3.26Å; L290-H318 PolarHBondContact O-N 3.44Å
291A97.9Very high98Very high47 Ų4737.5 Ų37.539%0.38820%0.2SC..  trans-14744.4-173.200000111K289 H318K289-A291 PolarHBondContact O-N 3.01Å; A291-H318 HydrophobicContact CB-CB 3.94Å
292D98.3Very high97.9Very high63 Ų6336.6 Ų36.634%0.33719%0.188SC..SBendtrans-122.2170.5-178.4-148.6-60.3000111.2T296 V297 P321D292-T296 HydrophobicContact CB-CG2 3.96Å; D292-T296 VanDerWaalsContact CG-CB 3.42Å; D292-T296 VanDerWaalsContact CG-CG2 3.44Å; D292-T296 WeakPolarHBondContact OD1-CB 3.39Å; D292-T296 PolarHBondContact OD1-OG1 3.46Å; D292-V297 HydrophobicContact CB-CG2 4.21Å; D292-V297 VanDerWaalsContact O-CG2 3.29Å; D292-V297 WeakPolarHBondContact O-CG2 3.09Å; D292-P321 WeakPolarHBondContact O-CB 3.26Å; D292-P321 WeakPolarHBondContact O-CG 3.29Å
293I97.6Very high97.8Very high111 Ų11141.1 Ų41.157%0.56921%0.209SC*.  trans-62.8154.1176.461.9167.5000110.9Q295 T296 V297I293-Q295 PolarHBondContact O-N 3.13Å; I293-T296 WeakPolarHBondContact CG1-OG1 3.1Å; I293-T296 PolarHBondContact O-N 3.39Å; I293-V297 PolarHBondContact O-N 3.02Å
294G97.7Very high97.5Very high18 Ų1844.1 Ų44.119%0.18624%0.24CC..Hα-helixtrans-53.6-35.5-171.400000115.2V297 Y298 G324 A328G294-V297 PolarHBondContact O-N 3.43Å; G294-Y298 WeakPolarHBondContact O-CB 3.49Å; G294-Y298 PolarHBondContact O-N 3.5Å; G294-G324 VanDerWaalsContact CA-O 3.28Å; G294-G324 WeakPolarHBondContact CA-O 3.41Å; G294-A328 WeakPolarHBondContact O-CB 3.38Å
295Q98.2Very high97.1Very high110 Ų11048.1 Ų48.151%0.51426%0.264SS..Hα-helixtrans-68.5-38.7177.6-173.75761.100112.6I293 N299I293-Q295 PolarHBondContact O-N 3.13Å; Q295-N299 PolarHBondContact O-N 2.86Å; Q295-N299 PolarHBondContact O-ND2 3.15Å
296T98.4Very high96.8Very high45 Ų4550.3 Ų50.328%0.27627%0.273SS..Hα-helixtrans-68.8-44.6175.4-49.50000110.4D292 I293 Y298 N299 Q300D292-T296 HydrophobicContact CB-CG2 3.96Å; D292-T296 VanDerWaalsContact CG-CB 3.42Å; D292-T296 VanDerWaalsContact CG-CG2 3.44Å; D292-T296 WeakPolarHBondContact OD1-CB 3.39Å; D292-T296 PolarHBondContact OD1-OG1 3.46Å; I293-T296 WeakPolarHBondContact CG1-OG1 3.1Å; I293-T296 PolarHBondContact O-N 3.39Å; T296-Y298 VanDerWaalsContact C-N 3.31Å; T296-Y298 PolarHBondContact O-N 3.35Å; T296-N299 WeakPolarHBondContact O-CB 3.26Å; T296-N299 PolarHBondContact O-N 3.41Å; T296-N299 VanDerWaalsContact O-N 3.08Å; T296-Q300 HydrophobicContact CG2-CG 4.27Å; T296-Q300 WeakPolarHBondContact O-CG 3.5Å; T296-Q300 PolarHBondContact O-N 2.61Å
297V98.4Very high96.6Very high0 Ų054.6 Ų54.60%029%0.289CS..Hα-helixtrans-57.5-44.5175.71710000111.1L290 D292 I293 G294 N299 Q300 L301 L325 A328 F329L290-V297 HydrophobicContact CB-CG2 4.45Å; L290-V297 HydrophobicContact CD1-CG1 4.07Å; D292-V297 HydrophobicContact CB-CG2 4.21Å; D292-V297 VanDerWaalsContact O-CG2 3.29Å; D292-V297 WeakPolarHBondContact O-CG2 3.09Å; I293-V297 PolarHBondContact O-N 3.02Å; G294-V297 PolarHBondContact O-N 3.43Å; V297-N299 VanDerWaalsContact C-N 3.29Å; V297-N299 PolarHBondContact O-N 2.84Å; V297-Q300 PolarHBondContact O-N 2.8Å; V297-L301 HydrophobicContact CG1-CD1 3.69Å; V297-L301 HydrophobicContact CG1-CG 4.18Å; V297-L301 WeakPolarHBondContact O-CB 3.46Å; V297-L301 VanDerWaalsContact O-CG 3.24Å; V297-L301 WeakPolarHBondContact O-CG 3.19Å; V297-L301 PolarHBondContact O-N 2.72Å; V297-L325 HydrophobicContact CG1-CG 4.29Å; V297-L325 HydrophobicContact CG2-CD1 4.1Å; V297-L325 HydrophobicContact CG2-CG 4.2Å; V297-A328 HydrophobicContact CB-CB 4.08Å; V297-A328 HydrophobicContact CG1-CB 3.83Å; V297-F329 HydrophobicContact CG1-CD2 4.46Å; V297-F329 HydrophobicContact CG1-CE2 4.19Å
298Y98.5Very high96.5Very high47 Ų4754.3 Ų54.318%0.18429%0.288CS..Hα-helixtrans-53.9-47174.8176.6-89.7000111.6G294 T296 L301 L302 K331 V332G294-Y298 WeakPolarHBondContact O-CB 3.49Å; G294-Y298 PolarHBondContact O-N 3.5Å; T296-Y298 VanDerWaalsContact C-N 3.31Å; T296-Y298 PolarHBondContact O-N 3.35Å; Y298-L301 PolarHBondContact O-N 2.79Å; Y298-L302 HydrophobicContact CE1-CD2 4.2Å; Y298-L302 HydrophobicContact CE2-CD2 4.48Å; Y298-L302 PolarHBondContact O-N 2.84Å; Y298-L302 VanDerWaalsContact O-N 3.1Å; Y298-L302 WeakPolarHBondContact OH-CD2 3.41Å; Y298-K331 HydrophobicContact CD2-CB 3.88Å; Y298-K331 HydrophobicContact CE2-CB 3.87Å; Y298-V332 HydrophobicContact CD2-CG2 3.57Å; Y298-V332 HydrophobicContact CE2-CG2 3.9Å; Y298-V332 HydrophobicContact CG-CG2 4.32Å
299N98.3Very high96.5Very high70 Ų7050.1 Ų50.137%0.37427%0.272SS..Hα-helixtrans-68.5-39.5178.4-67.6-25.8000112.4Q295 T296 V297 L301 H303Q295-N299 PolarHBondContact O-N 2.86Å; Q295-N299 PolarHBondContact O-ND2 3.15Å; T296-N299 WeakPolarHBondContact O-CB 3.26Å; T296-N299 PolarHBondContact O-N 3.41Å; T296-N299 VanDerWaalsContact O-N 3.08Å; V297-N299 VanDerWaalsContact C-N 3.29Å; V297-N299 PolarHBondContact O-N 2.84Å; N299-L301 VanDerWaalsContact C-N 3.27Å; N299-L301 PolarHBondContact O-N 3.47Å; N299-H303 WeakPolarHBondContact O-CA 3.26Å; N299-H303 VanDerWaalsContact O-CB 3.26Å; N299-H303 WeakPolarHBondContact O-CB 3.37Å; N299-H303 PolarHBondContact O-N 3.27Å
300Q98Very high96.4Very high71 Ų7150.3 Ų50.333%0.33227%0.274SS..Hα-helixtrans-64.5-32.9177.7-73.4172.2-37.300112.4L290 T296 V297L290-Q300 HydrophobicContact CD2-CB 4.33Å; T296-Q300 HydrophobicContact CG2-CG 4.27Å; T296-Q300 WeakPolarHBondContact O-CG 3.5Å; T296-Q300 PolarHBondContact O-N 2.61Å; V297-Q300 PolarHBondContact O-N 2.8Å
301L97.9Very high96.2Very high0 Ų051 Ų510%028%0.276CS..Hα-helixtrans-76.4-49.4179.1-73172.5000111.9L290 V297 Y298 N299 R307 I308 A309 I315 F329 V332 I345L290-L301 HydrophobicContact CD1-CD2 3.78Å; L290-L301 HydrophobicContact CD1-CG 4.05Å; V297-L301 HydrophobicContact CG1-CD1 3.69Å; V297-L301 HydrophobicContact CG1-CG 4.18Å; V297-L301 WeakPolarHBondContact O-CB 3.46Å; V297-L301 VanDerWaalsContact O-CG 3.24Å; V297-L301 WeakPolarHBondContact O-CG 3.19Å; V297-L301 PolarHBondContact O-N 2.72Å; Y298-L301 PolarHBondContact O-N 2.79Å; N299-L301 VanDerWaalsContact C-N 3.27Å; N299-L301 PolarHBondContact O-N 3.47Å; L301-R307 CarbonylContact O-C 3.57Å; L301-I308 HydrophobicContact CD2-CD1 4.04Å; L301-I308 HydrophobicContact CD2-CG1 4.16Å; L301-I308 PolarHBondContact O-N 2.72Å; L301-A309 HydrophobicContact CB-CB 4.07Å; L301-A309 WeakPolarHBondContact O-CB 3.28Å; L301-A309 PolarHBondContact O-N 2.8Å; L301-I315 HydrophobicContact CD2-CB 4.49Å; L301-I315 HydrophobicContact CD2-CD1 3.96Å; L301-I315 HydrophobicContact CD2-CG1 3.98Å; L301-I315 HydrophobicContact CD2-CG2 4.47Å; L301-F329 HydrophobicContact CD1-CD2 3.85Å; L301-F329 HydrophobicContact CD1-CE2 3.83Å; L301-F329 HydrophobicContact CD1-CG 4.25Å; L301-F329 HydrophobicContact CD1-CZ 4.2Å; L301-F329 HydrophobicContact CD2-CZ 4.28Å; L301-V332 HydrophobicContact CB-CG1 4.39Å; L301-V332 HydrophobicContact CB-CG2 3.92Å; L301-V332 HydrophobicContact CD1-CG2 4.04Å; L301-I345 HydrophobicContact CB-CD1 4.49Å; L301-I345 HydrophobicContact CD1-CD1 3.91Å; L301-I345 HydrophobicContact CD2-CD1 3.78Å; L301-I345 HydrophobicContact CG-CD1 4.28Å
302L95.9Very high96.2Very high11 Ų1148.7 Ų48.76%0.05826%0.257CS..Hα-helixtrans-92.8-23.5-170.2-168.964.2000114.1Y298 K335 L336Y298-L302 HydrophobicContact CE1-CD2 4.2Å; Y298-L302 HydrophobicContact CE2-CD2 4.48Å; Y298-L302 PolarHBondContact O-N 2.84Å; Y298-L302 VanDerWaalsContact O-N 3.1Å; Y298-L302 WeakPolarHBondContact OH-CD2 3.41Å; L302-K335 HydrophobicContact CD2-CG 3.86Å; L302-L336 HydrophobicContact CD1-CD2 4.23Å
303H95.4Very high96.1Very high95 Ų9545.9 Ų45.944%0.4424%0.242SC..SBendtrans-117.9-165.9-174.1-54.5-46.2000111.6N299N299-H303 WeakPolarHBondContact O-CA 3.26Å; N299-H303 VanDerWaalsContact O-CB 3.26Å; N299-H303 WeakPolarHBondContact O-CB 3.37Å; N299-H303 PolarHBondContact O-N 3.27Å
304G91Very high96.2Very high63 Ų6340.6 Ų40.665%0.64922%0.215SC*.THydrogen-bonded Turntrans78.8-179.1-174.500000112.9Y306 R307G304-Y306 VanDerWaalsContact C-N 3.28Å; G304-Y306 PolarHBondContact O-N 2.76Å; G304-R307 WeakPolarHBondContact O-CG 2.97Å
305V90.5Very high96.2Very high88 Ų8839.8 Ų39.853%0.53321%0.206SC..THydrogen-bonded Turntrans-61.7-38-174.9177.60000111.8P266P266-V305 HydrophobicContact CG-CG1 4.03Å
306Y93Very high96.2Very high48 Ų4834.6 Ų34.619%0.18818%0.182CC..THydrogen-bonded Turntrans-97.4-15.4-171.4-56.4-63.1000114.7L257 D258 P266 G304 I308 W311L257-Y306 HydrophobicContact CD2-CD1 3.48Å; L257-Y306 VanDerWaalsContact CD2-CD1 3.48Å; L257-Y306 HydrophobicContact CD2-CE1 4.04Å; L257-Y306 HydrophobicContact CD2-CG 3.96Å; L257-Y306 HydrophobicContact CG-CD1 3.98Å; L257-Y306 HydrophobicContact CG-CE1 4.04Å; L257-Y306 HydrophobicContact CG-CG 4.49Å; L257-Y306 PolarHBondContact O-OH 3.33Å; D258-Y306 HydrophobicContact CB-CE2 4.42Å; P266-Y306 HydrophobicContact CB-CD1 4.01Å; P266-Y306 HydrophobicContact CB-CE1 4.05Å; G304-Y306 VanDerWaalsContact C-N 3.28Å; G304-Y306 PolarHBondContact O-N 2.76Å; Y306-I308 VanDerWaalsContact C-N 3.25Å; Y306-I308 PolarHBondContact O-N 2.75Å; Y306-I308 VanDerWaalsContact O-N 3.15Å; Y306-W311 PolarHBondContact O-NE1 3.2Å
307R94.4Very high96.2Very high90 Ų9032.4 Ų32.434%0.3417%0.169SC..  trans4153.2-178.3-55.9-174.2-63.6-112.1-7.1112.3E267 L301 G304 A309 E310E267-R307 IonicContact OE1-CZ 2.89Å; E267-R307 IonicContact OE1-NH1 2.88Å; E267-R307 IonicContact OE1-NH2 3.95Å; E267-R307 PolarHBondContact OE1-NH2 3.27Å; L301-R307 CarbonylContact O-C 3.57Å; G304-R307 WeakPolarHBondContact O-CG 2.97Å; R307-A309 PolarHBondContact O-N 3.2Å; R307-E310 HydrophobicContact CB-CG 4.02Å; R307-E310 IonicContact CZ-OE2 3.81Å; R307-E310 IonicContact NE-OE1 2.66Å; R307-E310 IonicContact NE-OE2 3.28Å; R307-E310 PolarHBondContact NE-OE2 3.08Å; R307-E310 IonicContact NH2-OE2 2.79Å; R307-E310 WeakPolarHBondContact O-CB 3.44Å; R307-E310 PolarHBondContact O-N 2.75Å
308I95.7Very high96.2Very high7 Ų734 Ų344%0.03618%0.176CC..G310 helixtrans-53.9-34.5-16160.9-178.8000113.7E286 R288 L301 Y306 E310 W311 C312 I315E286-I308 HydrophobicContact CG-CB 4.17Å; E286-I308 HydrophobicContact CG-CD1 4.42Å; E286-I308 HydrophobicContact CG-CG2 3.91Å; R288-I308 HydrophobicContact CG-CD1 4.02Å; L301-I308 HydrophobicContact CD2-CD1 4.04Å; L301-I308 HydrophobicContact CD2-CG1 4.16Å; L301-I308 PolarHBondContact O-N 2.72Å; Y306-I308 VanDerWaalsContact C-N 3.25Å; Y306-I308 PolarHBondContact O-N 2.75Å; Y306-I308 VanDerWaalsContact O-N 3.15Å; I308-E310 PolarHBondContact O-N 3.09Å; I308-E310 VanDerWaalsContact O-N 3.17Å; I308-W311 HydrophobicContact CB-CZ2 4.21Å; I308-W311 HydrophobicContact CG2-CZ2 3.92Å; I308-W311 PolarHBondContact O-N 2.82Å; I308-C312 PolarHBondContact O-N 2.88Å; I308-C312 VanDerWaalsContact O-N 3.15Å; I308-C312 PolarHBondContact O-SG 3.2Å; I308-I315 HydrophobicContact CD1-CG1 4.41Å; I308-I315 HydrophobicContact CD1-CG2 4.39Å
309A96.4Very high96.2Very high0 Ų032.1 Ų32.10%017%0.17CC..G310 helixtrans-65.1-17.2179.300000114.7L301 R307 W311 V332 L336 I345L301-A309 HydrophobicContact CB-CB 4.07Å; L301-A309 WeakPolarHBondContact O-CB 3.28Å; L301-A309 PolarHBondContact O-N 2.8Å; R307-A309 PolarHBondContact O-N 3.2Å; A309-W311 VanDerWaalsContact C-N 3.28Å; A309-W311 PolarHBondContact O-N 2.82Å; A309-V332 HydrophobicContact CB-CG1 3.51Å; A309-L336 HydrophobicContact CB-CD1 4.3Å; A309-L336 WeakPolarHBondContact O-CD1 3.24Å; A309-I345 HydrophobicContact CB-CD1 3.72Å; A309-I345 HydrophobicContact CB-CG1 4.48Å; A309-I345 HydrophobicContact CB-CG2 4.14Å; A309-I345 WeakPolarHBondContact O-CG2 3.31Å
310E95.1Very high96.1Very high66 Ų6635.3 Ų35.331%0.30819%0.186SC..G310 helixtrans-75.6-15.8-178.6-64.9-174160.900113.6R307 I308 L336R307-E310 HydrophobicContact CB-CG 4.02Å; R307-E310 IonicContact CZ-OE2 3.81Å; R307-E310 IonicContact NE-OE1 2.66Å; R307-E310 IonicContact NE-OE2 3.28Å; R307-E310 PolarHBondContact NE-OE2 3.08Å; R307-E310 IonicContact NH2-OE2 2.79Å; R307-E310 WeakPolarHBondContact O-CB 3.44Å; R307-E310 PolarHBondContact O-N 2.75Å; I308-E310 PolarHBondContact O-N 3.09Å; I308-E310 VanDerWaalsContact O-N 3.17Å; E310-L336 HydrophobicContact CG-CD2 4.27Å
311W94.6Very high96.1Very high20 Ų2034 Ų348%0.07618%0.184CC..THydrogen-bonded Turntrans-142.7-26.6-169.656.1-94.9000115.9L255 L257 I270 I284 E286 Y306 I308 A309L255-W311 HydrophobicContact CD1-CZ3 4.23Å; L257-W311 HydrophobicContact CB-CH2 4.36Å; L257-W311 HydrophobicContact CD2-CH2 3.88Å; L257-W311 HydrophobicContact CD2-CZ2 3.53Å; I270-W311 HydrophobicContact CG1-CD2 4.48Å; I270-W311 HydrophobicContact CG1-CZ2 4.45Å; I270-W311 HydrophobicContact CG2-CB 3.74Å; I270-W311 HydrophobicContact CG2-CD2 3.9Å; I270-W311 HydrophobicContact CG2-CG 3.44Å; I270-W311 VanDerWaalsContact CG2-CG 3.44Å; I284-W311 HydrophobicContact CG2-CE3 3.86Å; I284-W311 HydrophobicContact CG2-CZ3 3.52Å; E286-W311 HydrophobicContact CB-CH2 4.22Å; E286-W311 HydrophobicContact CG-CH2 3.99Å; E286-W311 HydrophobicContact CG-CZ2 4.45Å; E286-W311 WeakPolarHBondContact OE2-CH2 3.44Å; Y306-W311 PolarHBondContact O-NE1 3.2Å; I308-W311 HydrophobicContact CB-CZ2 4.21Å; I308-W311 HydrophobicContact CG2-CZ2 3.92Å; I308-W311 PolarHBondContact O-N 2.82Å; A309-W311 VanDerWaalsContact C-N 3.28Å; A309-W311 PolarHBondContact O-N 2.82Å
312C96.3Very high96Very high0 Ų034.7 Ų34.70%019%0.191CC..  trans-82.5147.1178.871.40000111.5I284 E286 I308 I315 H343 I345I284-C312 HydrophobicContact CG2-CB 4.41Å; E286-C312 HydrophobicContact CB-CB 4.02Å; I308-C312 PolarHBondContact O-N 2.88Å; I308-C312 VanDerWaalsContact O-N 3.15Å; I308-C312 PolarHBondContact O-SG 3.2Å; C312-I315 WeakPolarHBondContact SG-CD1 3.03Å; C312-I315 WeakPolarHBondContact SG-CG1 3.16Å; C312-H343 PolarHBondContact O-CE1 2.94Å; C312-H343 VanDerWaalsContact O-CE1 3.3Å; C312-H343 PolarHBondContact O-NE2 2.91Å; C312-I345 WeakPolarHBondContact O-CG2 3.34Å
313D97.8Very high96Very high4 Ų437.8 Ų37.82%0.02121%0.211CC..SBendtrans-84.9-37.9178.9-60.1-58.9000112R215 L283 I284 H343 A346R215-D313 IonicContact CZ-OD1 3.57Å; R215-D313 IonicContact CZ-OD2 2.68Å; R215-D313 IonicContact NH1-OD1 3.07Å; R215-D313 PolarHBondContact NH1-OD1 3.08Å; R215-D313 IonicContact NH1-OD2 3.77Å; R215-D313 IonicContact NH2-OD1 3.65Å; R215-D313 IonicContact NH2-OD2 2.68Å; L283-D313 WeakPolarHBondContact CA-OD2 3.36Å; L283-D313 HydrophobicContact CB-CB 4.12Å; L283-D313 HydrophobicContact CD2-CB 4.1Å; I284-D313 PolarHBondContact N-OD2 3.1Å; I284-D313 WeakPolarHBondContact O-CA 3.18Å; I284-D313 WeakPolarHBondContact O-CB 3.3Å; I284-D313 PolarHBondContact O-N 3.34Å; D313-H343 IonicContact OD1-CE1 3.88Å; D313-H343 PolarHBondContact OD1-CE1 3.05Å; D313-H343 VanDerWaalsContact OD1-CE1 3.25Å; D313-H343 IonicContact OD1-ND1 3.65Å; D313-A346 PolarHBondContact O-N 2.84Å
314M98.2Very high96.1Very high0 Ų034.7 Ų34.70%021%0.205CC..EExtended strand (participates in β ladder)trans-136.2151.1176.5-48.1-168.9170.900111.9Q212 L283 I284 I285 E286 A346 L348 W401Q212-M314 HydrophobicContact CB-CE 3.65Å; L283-M314 HydrophobicContact CD1-CE 3.9Å; I284-M314 PolarHBondContact O-N 3.45Å; I285-M314 CarbonylContact C-O 3.57Å; I285-M314 VanDerWaalsContact CA-O 3.27Å; I285-M314 WeakPolarHBondContact CA-O 3.34Å; I285-M314 HydrophobicContact CG1-CB 4.13Å; I285-M314 HydrophobicContact CG2-CB 4.27Å; E286-M314 PolarHBondContact N-O 2.88Å; M314-A346 CarbonylContact C-O 3.55Å; M314-A346 VanDerWaalsContact CA-O 3.24Å; M314-A346 WeakPolarHBondContact CA-O 3.43Å; M314-A346 HydrophobicContact CG-CB 4.11Å; M314-L348 HydrophobicContact CB-CB 4.46Å; M314-W401 HydrophobicContact SD-CZ2 4.12Å
315I98.4Very high96.4Very high0 Ų031.7 Ų31.70%018%0.175CC..EExtended strand (participates in β ladder)trans-126.4135.3175.5-56.889.7000109.4E286 R288 L290 L301 I308 C312 F329 I345 A346 L348E286-I315 WeakPolarHBondContact O-CA 3.28Å; R288-I315 HydrophobicContact CB-CG2 4.24Å; L290-I315 HydrophobicContact CD1-CG2 3.91Å; L290-I315 HydrophobicContact CG-CG2 4.09Å; L301-I315 HydrophobicContact CD2-CB 4.49Å; L301-I315 HydrophobicContact CD2-CD1 3.96Å; L301-I315 HydrophobicContact CD2-CG1 3.98Å; L301-I315 HydrophobicContact CD2-CG2 4.47Å; I308-I315 HydrophobicContact CD1-CG1 4.41Å; I308-I315 HydrophobicContact CD1-CG2 4.39Å; C312-I315 WeakPolarHBondContact SG-CD1 3.03Å; C312-I315 WeakPolarHBondContact SG-CG1 3.16Å; I315-F329 HydrophobicContact CB-CE1 4.43Å; I315-F329 HydrophobicContact CB-CZ 4.17Å; I315-F329 HydrophobicContact CD1-CE1 3.98Å; I315-F329 HydrophobicContact CD1-CZ 4.42Å; I315-I345 HydrophobicContact CD1-CB 3.64Å; I315-I345 HydrophobicContact CD1-CD1 3.74Å; I315-I345 HydrophobicContact CD1-CG1 4.26Å; I315-I345 HydrophobicContact CD1-CG2 3.9Å; I315-A346 PolarHBondContact N-O 3.34Å; I315-L348 PolarHBondContact O-N 3.47Å
316T98.6Very high96.8Very high1 Ų127.5 Ų27.51%0.00615%0.149CC..EExtended strand (participates in β ladder)trans-74136.4174.962.30000112I285 E286 D287 R288 K289 L290 L348I285-T316 HydrophobicContact CG2-CG2 4.38Å; E286-T316 PolarHBondContact O-N 3.33Å; E286-T316 VanDerWaalsContact O-N 3.1Å; D287-T316 WeakPolarHBondContact CA-OG1 3.21Å; D287-T316 HydrophobicContact CB-CG2 4.37Å; D287-T316 WeakPolarHBondContact OD1-CB 3.36Å; D287-T316 VanDerWaalsContact OD1-CG2 3.26Å; D287-T316 WeakPolarHBondContact OD1-CG2 3.22Å; D287-T316 PolarHBondContact OD1-OG1 3.44Å; R288-T316 PolarHBondContact N-OG1 3.42Å; R288-T316 VanDerWaalsContact N-OG1 3.15Å; K289-T316 CarbonylContact C-O 3.57Å; K289-T316 WeakPolarHBondContact CA-O 3.41Å; K289-T316 WeakPolarHBondContact CA-OG1 3.43Å; K289-T316 WeakPolarHBondContact CG-OG1 3.17Å; K289-T316 PolarHBondContact N-O 3.25Å; K289-T316 PolarHBondContact N-OG1 2.97Å; L290-T316 PolarHBondContact N-O 3.22Å; T316-L348 VanDerWaalsContact CA-O 3.26Å; T316-L348 WeakPolarHBondContact CA-O 3.16Å; T316-L348 HydrophobicContact CG2-CB 4.28Å; T316-L348 HydrophobicContact CG2-CD2 3.96Å; T316-L348 HydrophobicContact CG2-CG 4.41Å
317V98.7Very high97.1Very high0 Ų028.9 Ų28.90%016%0.16CC..EExtended strand (participates in β ladder)trans-140.5147.4-176.9-54.40000111.9L290 L325 F326 F329 A347 L348 V349 V350L290-V317 HydrophobicContact CB-CG1 4.11Å; L290-V317 CarbonylContact O-C 3.58Å; L290-V317 WeakPolarHBondContact O-CA 3.26Å; V317-L325 HydrophobicContact CB-CD1 4.12Å; V317-L325 HydrophobicContact CB-CD2 3.97Å; V317-L325 HydrophobicContact CG1-CD2 4.11Å; V317-L325 HydrophobicContact CG2-CD2 3.89Å; V317-F326 HydrophobicContact CG2-CE1 4.35Å; V317-F329 HydrophobicContact CG1-CE2 3.83Å; V317-F329 HydrophobicContact CG1-CZ 3.66Å; V317-A347 HydrophobicContact CG2-CB 3.93Å; V317-L348 PolarHBondContact N-O 2.86Å; V317-V349 HydrophobicContact CG2-CG2 4.02Å; V317-V349 CarbonylContact O-C 3.51Å; V317-V349 WeakPolarHBondContact O-CA 3.35Å; V317-V350 PolarHBondContact O-N 3.42Å
318H98.4Very high97.2Very high32 Ų3224.7 Ų24.715%0.14815%0.145CC..  trans-95.2145165.7-75.6-77.8000110.5L290 A291 L320 P321 V350 Y364L290-H318 PolarHBondContact O-N 3.44Å; A291-H318 HydrophobicContact CB-CB 3.94Å; H318-L320 HydrophobicContact CB-CB 4.42Å; H318-L320 PolarHBondContact O-N 3.01Å; H318-P321 VanDerWaalsContact O-CD 3.29Å; H318-P321 WeakPolarHBondContact O-CD 3.41Å; H318-V350 VanDerWaalsContact CE1-CG1 3.46Å; H318-V350 WeakPolarHBondContact CE1-CG1 3.49Å; H318-Y364 PolarHBondContact ND1-OH 3.48Å; H318-Y364 VanDerWaalsContact ND1-OH 3.12Å
319C97.5Very high97.4Very high9 Ų924.4 Ų24.46%0.06114%0.143CC..SBendtrans-78.3-1.6176-73.90000113.9P321 G322 V349 Y364 C368 L371C319-P321 VanDerWaalsContact C-N 3.3Å; C319-G322 PolarHBondContact O-N 2.94Å; C319-V349 WeakPolarHBondContact SG-CG1 3.4Å; C319-Y364 HydrophobicContact CB-CE2 4.43Å; C319-Y364 PolarHBondContact N-OH 3.35Å; C319-C368 HydrophobicContact CB-CB 4.46Å; C319-C368 WeakPolarHBondContact CB-SG 3.34Å; C319-C368 VanDerWaalsContact SG-SG 3.66Å; C319-L371 HydrophobicContact CB-CD1 3.69Å
320L97.1Very high97.4Very high137 Ų13727.7 Ų27.772%0.71716%0.155SC*.THydrogen-bonded Turntrans-49.2-40.8-176.8-175.268.1000114.1H318 G322H318-L320 HydrophobicContact CB-CB 4.42Å; H318-L320 PolarHBondContact O-N 3.01Å; L320-G322 VanDerWaalsContact C-N 3.27Å; L320-G322 PolarHBondContact O-N 3.41Å
321P96.9Very high97.6Very high44 Ų4430.7 Ų30.729%0.28617%0.167SC..THydrogen-bonded Turntrans-77-9.8180-16.133.4000114.5D292 H318 C319 L325D292-P321 WeakPolarHBondContact O-CB 3.26Å; D292-P321 WeakPolarHBondContact O-CG 3.29Å; H318-P321 VanDerWaalsContact O-CD 3.29Å; H318-P321 WeakPolarHBondContact O-CD 3.41Å; C319-P321 VanDerWaalsContact C-N 3.3Å; P321-L325 HydrophobicContact CG-CD1 4.25Å
322G96Very high97.8Very high14 Ų1429.8 Ų29.814%0.14416%0.164CC..  trans82.9-164.2-177.800000114.9C319 L320 G324 L325C319-G322 PolarHBondContact O-N 2.94Å; L320-G322 VanDerWaalsContact C-N 3.27Å; L320-G322 PolarHBondContact O-N 3.41Å; G322-G324 VanDerWaalsContact C-N 3.32Å; G322-G324 PolarHBondContact O-N 3.27Å; G322-L325 PolarHBondContact O-N 3.23Å
323P95.6Very high97.8Very high75 Ų7530.4 Ų30.449%0.48717%0.167SC..THydrogen-bonded Turntrans-66.4-26.5-163.624.5-34.2000114.9L325 F326 D327 L371P323-L325 PolarHBondContact O-N 3.01Å; P323-F326 PolarHBondContact O-N 3.19Å; P323-D327 PolarHBondContact O-N 2.9Å; P323-L371 HydrophobicContact CB-CD2 3.92Å; P323-L371 HydrophobicContact CG-CD2 4.48Å
324G97.5Very high97.8Very high30 Ų3036.6 Ų36.631%0.30919%0.194SC..Hα-helixtrans-60-21.6-179.500000113.9G294 G322 D327 A328G294-G324 VanDerWaalsContact CA-O 3.28Å; G294-G324 WeakPolarHBondContact CA-O 3.41Å; G322-G324 VanDerWaalsContact C-N 3.32Å; G322-G324 PolarHBondContact O-N 3.27Å; G324-D327 PolarHBondContact O-N 2.83Å; G324-A328 PolarHBondContact O-N 3.46Å; G324-A328 VanDerWaalsContact O-N 3.16Å
325L98.3Very high97.8Very high1 Ų140 Ų401%0.00521%0.209CC..Hα-helixtrans-61.1-44.7170.5179.8147.8000111.5V297 V317 P321 G322 P323 A328 F329V297-L325 HydrophobicContact CG1-CG 4.29Å; V297-L325 HydrophobicContact CG2-CD1 4.1Å; V297-L325 HydrophobicContact CG2-CG 4.2Å; V317-L325 HydrophobicContact CB-CD1 4.12Å; V317-L325 HydrophobicContact CB-CD2 3.97Å; V317-L325 HydrophobicContact CG1-CD2 4.11Å; V317-L325 HydrophobicContact CG2-CD2 3.89Å; P321-L325 HydrophobicContact CG-CD1 4.25Å; G322-L325 PolarHBondContact O-N 3.23Å; P323-L325 PolarHBondContact O-N 3.01Å; L325-A328 VanDerWaalsContact O-CB 3.23Å; L325-A328 WeakPolarHBondContact O-CB 3.26Å; L325-A328 PolarHBondContact O-N 3.05Å; L325-F329 HydrophobicContact CD2-CD2 4.27Å; L325-F329 HydrophobicContact CD2-CE2 3.98Å; L325-F329 WeakPolarHBondContact O-CD2 3.49Å; L325-F329 PolarHBondContact O-N 2.94Å
326F98.2Very high97.7Very high0 Ų040.1 Ų40.10%021%0.21CC..Hα-helixtrans-74.1-30.3-179.8-56.5-73.3000112.1V317 P323 A328 F329 R330 A347 V349 L371 N375 I378 I379V317-F326 HydrophobicContact CG2-CE1 4.35Å; P323-F326 PolarHBondContact O-N 3.19Å; F326-A328 PolarHBondContact O-N 3.02Å; F326-F329 WeakPolarHBondContact O-CB 3.44Å; F326-F329 PolarHBondContact O-N 3.4Å; F326-R330 PolarHBondContact O-N 2.91Å; F326-R330 VanDerWaalsContact O-N 3.11Å; F326-A347 HydrophobicContact CD1-CB 4.2Å; F326-A347 HydrophobicContact CE1-CB 3.98Å; F326-V349 HydrophobicContact CE1-CG2 3.99Å; F326-V349 HydrophobicContact CZ-CG2 4Å; F326-L371 HydrophobicContact CE2-CB 3.93Å; F326-L371 HydrophobicContact CE2-CD1 4.33Å; F326-L371 HydrophobicContact CE2-CD2 4.45Å; F326-L371 HydrophobicContact CE2-CG 4.47Å; F326-N375 HydrophobicContact CB-CB 4.13Å; F326-N375 WeakPolarHBondContact CB-OD1 3.33Å; F326-N375 HydrophobicContact CD1-CB 4.3Å; F326-N375 HydrophobicContact CD2-CB 4.38Å; F326-N375 HydrophobicContact CG-CB 4.01Å; F326-I378 HydrophobicContact CD1-CG2 4.25Å; F326-I379 HydrophobicContact CD1-CD1 3.89Å; F326-I379 HydrophobicContact CE1-CD1 3.41Å; F326-I379 VanDerWaalsContact CE1-CD1 3.41Å; F326-I379 HydrophobicContact CZ-CD1 4.11Å
327D98.3Very high97.5Very high76 Ų7644.5 Ų44.541%0.40623%0.232SC..Hα-helixtrans-63.1-32170.5-65.3-31.9000112.1P323 G324 R330 K331P323-D327 PolarHBondContact O-N 2.9Å; G324-D327 PolarHBondContact O-N 2.83Å; D327-R330 PolarHBondContact O-N 3.02Å; D327-R330 IonicContact OD1-NH1 2.65Å; D327-R330 PolarHBondContact OD1-NH1 2.73Å; D327-K331 WeakPolarHBondContact O-CG 3.4Å; D327-K331 PolarHBondContact O-N 2.95Å
328A98.5Very high97.4Very high3 Ų349.9 Ų49.93%0.02526%0.257CS..Hα-helixtrans-63-45172.700000111.4G294 V297 G324 L325 F326 R330 K331 V332G294-A328 WeakPolarHBondContact O-CB 3.38Å; V297-A328 HydrophobicContact CB-CB 4.08Å; V297-A328 HydrophobicContact CG1-CB 3.83Å; G324-A328 PolarHBondContact O-N 3.46Å; G324-A328 VanDerWaalsContact O-N 3.16Å; L325-A328 VanDerWaalsContact O-CB 3.23Å; L325-A328 WeakPolarHBondContact O-CB 3.26Å; L325-A328 PolarHBondContact O-N 3.05Å; F326-A328 PolarHBondContact O-N 3.02Å; A328-R330 PolarHBondContact O-N 2.81Å; A328-K331 PolarHBondContact O-N 3.1Å; A328-V332 WeakPolarHBondContact O-CG2 3.39Å; A328-V332 PolarHBondContact O-N 3.21Å
329F98.4Very high97.2Very high0 Ų052.9 Ų52.90%028%0.275CS..Hα-helixtrans-58.1-45.4174.9-83.6-109.9000111.7V297 L301 I315 V317 L325 F326 K331 V332 N333 I345 A346 A347 I378V297-F329 HydrophobicContact CG1-CD2 4.46Å; V297-F329 HydrophobicContact CG1-CE2 4.19Å; L301-F329 HydrophobicContact CD1-CD2 3.85Å; L301-F329 HydrophobicContact CD1-CE2 3.83Å; L301-F329 HydrophobicContact CD1-CG 4.25Å; L301-F329 HydrophobicContact CD1-CZ 4.2Å; L301-F329 HydrophobicContact CD2-CZ 4.28Å; I315-F329 HydrophobicContact CB-CE1 4.43Å; I315-F329 HydrophobicContact CB-CZ 4.17Å; I315-F329 HydrophobicContact CD1-CE1 3.98Å; I315-F329 HydrophobicContact CD1-CZ 4.42Å; V317-F329 HydrophobicContact CG1-CE2 3.83Å; V317-F329 HydrophobicContact CG1-CZ 3.66Å; L325-F329 HydrophobicContact CD2-CD2 4.27Å; L325-F329 HydrophobicContact CD2-CE2 3.98Å; L325-F329 WeakPolarHBondContact O-CD2 3.49Å; L325-F329 PolarHBondContact O-N 2.94Å; F326-F329 WeakPolarHBondContact O-CB 3.44Å; F326-F329 PolarHBondContact O-N 3.4Å; F329-K331 VanDerWaalsContact C-N 3.34Å; F329-K331 PolarHBondContact O-N 3.47Å; F329-V332 PolarHBondContact O-N 2.96Å; F329-N333 WeakPolarHBondContact O-CB 3.38Å; F329-N333 PolarHBondContact O-N 3.31Å; F329-I345 HydrophobicContact CD1-CD1 3.79Å; F329-I345 HydrophobicContact CD1-CG1 3.96Å; F329-I345 HydrophobicContact CE1-CD1 3.93Å; F329-I345 HydrophobicContact CE1-CG1 4.34Å; F329-I345 HydrophobicContact CG-CD1 4.48Å; F329-A346 WeakPolarHBondContact CE1-O 3.24Å; F329-A347 HydrophobicContact CD1-CB 4.3Å; F329-A347 HydrophobicContact CE1-CB 3.9Å; F329-A347 HydrophobicContact CE2-CB 4.41Å; F329-A347 HydrophobicContact CZ-CB 3.97Å; F329-I378 HydrophobicContact CB-CD1 4.13Å; F329-I378 HydrophobicContact CB-CG1 4.23Å; F329-I378 HydrophobicContact CB-CG2 3.51Å; F329-I378 HydrophobicContact CD1-CG2 3.71Å; F329-I378 HydrophobicContact CG-CG2 3.69Å
330R97.9Very high96.9Very high70 Ų7055.3 Ų55.326%0.26430%0.301SS..Hα-helixtrans-58.5-45.1176-68.4179.7-175.5105.27.7112.1F326 D327 A328 K334 N375 D377 I378F326-R330 PolarHBondContact O-N 2.91Å; F326-R330 VanDerWaalsContact O-N 3.11Å; D327-R330 PolarHBondContact O-N 3.02Å; D327-R330 IonicContact OD1-NH1 2.65Å; D327-R330 PolarHBondContact OD1-NH1 2.73Å; A328-R330 PolarHBondContact O-N 2.81Å; R330-K334 WeakPolarHBondContact O-CB 3.28Å; R330-K334 PolarHBondContact O-N 3.27Å; R330-N375 PolarHBondContact NH1-OD1 3Å; R330-N375 PolarHBondContact NH2-OD1 3.49Å; R330-D377 IonicContact CZ-OD1 3.99Å; R330-D377 IonicContact CZ-OD2 3.57Å; R330-D377 IonicContact NE-OD1 3.71Å; R330-D377 IonicContact NE-OD2 3.98Å; R330-D377 PolarHBondContact NE-OD2 3.27Å; R330-D377 IonicContact NH2-OD1 3.74Å; R330-D377 PolarHBondContact NH2-OD1 3.48Å; R330-D377 IonicContact NH2-OD2 3.95Å; R330-D377 PolarHBondContact NH2-OD2 3.13Å; R330-I378 HydrophobicContact CG-CD1 3.85Å; R330-I378 HydrophobicContact CG-CG1 3.84Å
331K98.1Very high96.6Very high129 Ų12953.7 Ų53.756%0.56129%0.288SS*.Hα-helixtrans-64.7-40.7177.6-73.4179.9-178.4179.70112.1Y298 D327 A328 F329 K335Y298-K331 HydrophobicContact CD2-CB 3.88Å; Y298-K331 HydrophobicContact CE2-CB 3.87Å; D327-K331 WeakPolarHBondContact O-CG 3.4Å; D327-K331 PolarHBondContact O-N 2.95Å; A328-K331 PolarHBondContact O-N 3.1Å; F329-K331 VanDerWaalsContact C-N 3.34Å; F329-K331 PolarHBondContact O-N 3.47Å; K331-K335 WeakPolarHBondContact O-CB 3.34Å; K331-K335 PolarHBondContact O-N 2.84Å
332V98.2Very high96Very high0 Ų059.2 Ų59.20%031%0.31CS..Hα-helixtrans-64.8-49.7176.6171.10000110.6Y298 L301 A309 A328 F329 K334 K335 L336 I345Y298-V332 HydrophobicContact CD2-CG2 3.57Å; Y298-V332 HydrophobicContact CE2-CG2 3.9Å; Y298-V332 HydrophobicContact CG-CG2 4.32Å; L301-V332 HydrophobicContact CB-CG1 4.39Å; L301-V332 HydrophobicContact CB-CG2 3.92Å; L301-V332 HydrophobicContact CD1-CG2 4.04Å; A309-V332 HydrophobicContact CB-CG1 3.51Å; A328-V332 WeakPolarHBondContact O-CG2 3.39Å; A328-V332 PolarHBondContact O-N 3.21Å; F329-V332 PolarHBondContact O-N 2.96Å; V332-K334 VanDerWaalsContact C-N 3.3Å; V332-K334 PolarHBondContact O-N 3.11Å; V332-K335 WeakPolarHBondContact O-CA 3.4Å; V332-K335 WeakPolarHBondContact O-CB 3.17Å; V332-K335 PolarHBondContact O-N 3.49Å; V332-L336 HydrophobicContact CG1-CD1 4Å; V332-L336 HydrophobicContact CG1-CG 4.27Å; V332-L336 WeakPolarHBondContact O-CG 3.47Å; V332-L336 PolarHBondContact O-N 3.28Å; V332-I345 HydrophobicContact CB-CD1 4.42Å; V332-I345 HydrophobicContact CG1-CD1 3.85Å; V332-I345 HydrophobicContact CG1-CG1 4.37Å
333N97.8Very high95.5Very high13 Ų1360.7 Ų60.77%0.0731%0.313CS..Hα-helixtrans-58.4-41.8177.6-77-19.6000112.1F329 L336 L337 Q344 I345F329-N333 WeakPolarHBondContact O-CB 3.38Å; F329-N333 PolarHBondContact O-N 3.31Å; N333-L336 PolarHBondContact O-N 2.83Å; N333-L337 PolarHBondContact O-N 2.89Å; N333-L337 VanDerWaalsContact O-N 3.08Å; N333-Q344 HydrophobicContact CB-CG 4.42Å; N333-Q344 WeakPolarHBondContact OD1-CA 3.22Å; N333-I345 PolarHBondContact ND2-O 3Å; N333-I345 WeakPolarHBondContact OD1-CG1 3.48Å; N333-I345 PolarHBondContact OD1-N 2.95Å
334K97.1Very high95.4Very high134 Ų13460.7 Ų60.758%0.58331%0.307SS*.Hα-helixtrans-60.6-44.9172.7-174.4-178.6178.8-172.70111.7R330 V332 L337 E338R330-K334 WeakPolarHBondContact O-CB 3.28Å; R330-K334 PolarHBondContact O-N 3.27Å; V332-K334 VanDerWaalsContact C-N 3.3Å; V332-K334 PolarHBondContact O-N 3.11Å; K334-L337 PolarHBondContact O-N 2.82Å; K334-E338 WeakPolarHBondContact CE-OE1 3.4Å; K334-E338 WeakPolarHBondContact O-CG 3.31Å; K334-E338 PolarHBondContact O-N 2.94Å
335K97.3Very high95.4Very high73 Ų7359.4 Ų59.432%0.31729%0.293SS..Hα-helixtrans-66.1-38.9-179.3-172.660177.7174.20112.7L302 K331 V332 L337 E338 N339L302-K335 HydrophobicContact CD2-CG 3.86Å; K331-K335 WeakPolarHBondContact O-CB 3.34Å; K331-K335 PolarHBondContact O-N 2.84Å; V332-K335 WeakPolarHBondContact O-CA 3.4Å; V332-K335 WeakPolarHBondContact O-CB 3.17Å; V332-K335 PolarHBondContact O-N 3.49Å; K335-L337 VanDerWaalsContact C-N 3.34Å; K335-E338 IonicContact NZ-OE2 3.41Å; K335-E338 PolarHBondContact O-N 3.23Å; K335-N339 WeakPolarHBondContact O-CB 3.26Å; K335-N339 VanDerWaalsContact O-CG 3.25Å; K335-N339 PolarHBondContact O-N 3.24Å
336L96.4Very high95.4Very high2 Ų259.4 Ų59.41%0.0129%0.292CS..Hα-helixtrans-60.4-46173.7-72174.3000110.6L302 A309 E310 V332 N333 N339 G340 K341L302-L336 HydrophobicContact CD1-CD2 4.23Å; A309-L336 HydrophobicContact CB-CD1 4.3Å; A309-L336 WeakPolarHBondContact O-CD1 3.24Å; E310-L336 HydrophobicContact CG-CD2 4.27Å; V332-L336 HydrophobicContact CG1-CD1 4Å; V332-L336 HydrophobicContact CG1-CG 4.27Å; V332-L336 WeakPolarHBondContact O-CG 3.47Å; V332-L336 PolarHBondContact O-N 3.28Å; N333-L336 PolarHBondContact O-N 2.83Å; L336-N339 CarbonylContact O-C 3.55Å; L336-N339 WeakPolarHBondContact O-CA 3.18Å; L336-N339 PolarHBondContact O-N 3.04Å; L336-N339 VanDerWaalsContact O-N 3.11Å; L336-G340 PolarHBondContact O-N 3.45Å; L336-K341 CarbonylContact C-O 3.51Å; L336-K341 HydrophobicContact CB-CB 4.1Å; L336-K341 HydrophobicContact CD2-CG 4.43Å; L336-K341 WeakPolarHBondContact O-CB 3.39Å; L336-K341 PolarHBondContact O-N 3.08Å
337L95.3Very high95.4Very high92 Ų9259.4 Ų59.448%0.48229%0.292SS..Hα-helixtrans-61.7-44.5176.6-175.764.7000112.6N333 K334 K335 N339 G340 K341N333-L337 PolarHBondContact O-N 2.89Å; N333-L337 VanDerWaalsContact O-N 3.08Å; K334-L337 PolarHBondContact O-N 2.82Å; K335-L337 VanDerWaalsContact C-N 3.34Å; L337-N339 PolarHBondContact O-N 2.91Å; L337-G340 PolarHBondContact O-N 2.83Å; L337-K341 WeakPolarHBondContact CA-O 3.27Å
338E96.1Very high95.4Very high113 Ų11355.8 Ų55.853%0.52827%0.273SS..Hα-helixtrans-58.9-32.4174-72.7169.9-176.900112.4K334 K335 G340K334-E338 WeakPolarHBondContact CE-OE1 3.4Å; K334-E338 WeakPolarHBondContact O-CG 3.31Å; K334-E338 PolarHBondContact O-N 2.94Å; K335-E338 IonicContact NZ-OE2 3.41Å; K335-E338 PolarHBondContact O-N 3.23Å; E338-G340 PolarHBondContact O-N 3.47Å
339N94.1Very high95.4Very high96 Ų9655.6 Ų55.651%0.51327%0.272SS..THydrogen-bonded Turntrans-85.211.6175.5-66.6-9.1000113K335 L336 L337 K341K335-N339 WeakPolarHBondContact O-CB 3.26Å; K335-N339 VanDerWaalsContact O-CG 3.25Å; K335-N339 PolarHBondContact O-N 3.24Å; L336-N339 CarbonylContact O-C 3.55Å; L336-N339 WeakPolarHBondContact O-CA 3.18Å; L336-N339 PolarHBondContact O-N 3.04Å; L336-N339 VanDerWaalsContact O-N 3.11Å; L337-N339 PolarHBondContact O-N 2.91Å; N339-K341 VanDerWaalsContact C-N 3.35Å; N339-K341 PolarHBondContact O-N 2.74Å
340G92.9Very high95.4Very high59 Ų5955.8 Ų55.861%0.60827%0.273SS*.THydrogen-bonded Turntrans79.49.2176.900000115.2L336 L337 E338L336-G340 PolarHBondContact O-N 3.45Å; L337-G340 PolarHBondContact O-N 2.83Å; E338-G340 PolarHBondContact O-N 3.47Å
341K89.3Confident95.3Very high103 Ų10352.5 Ų52.545%0.44826%0.261SS..  trans-86.5119.8174-58.7-72.2-172169.10109.1L336 L337 N339 H343L336-K341 CarbonylContact C-O 3.51Å; L336-K341 HydrophobicContact CB-CB 4.1Å; L336-K341 HydrophobicContact CD2-CG 4.43Å; L336-K341 WeakPolarHBondContact O-CB 3.39Å; L336-K341 PolarHBondContact O-N 3.08Å; L337-K341 WeakPolarHBondContact CA-O 3.27Å; N339-K341 VanDerWaalsContact C-N 3.35Å; N339-K341 PolarHBondContact O-N 2.74Å; K341-H343 PolarHBondContact O-N 2.56Å
342Q84.2Confident95.1Very high160 Ų16047.6 Ų47.675%0.74824%0.24SC*.  trans-77-11.2173.5-63.8-62.6-30.500112.9
343H86.6Confident94.9Very high45 Ų4550.4 Ų50.421%0.20825%0.253CS..  trans-69.2140.2179.2-179.762.8000112C312 D313 K341C312-H343 PolarHBondContact O-CE1 2.94Å; C312-H343 VanDerWaalsContact O-CE1 3.3Å; C312-H343 PolarHBondContact O-NE2 2.91Å; D313-H343 IonicContact OD1-CE1 3.88Å; D313-H343 PolarHBondContact OD1-CE1 3.05Å; D313-H343 VanDerWaalsContact OD1-CE1 3.25Å; D313-H343 IonicContact OD1-ND1 3.65Å; K341-H343 PolarHBondContact O-N 2.56Å
344Q94Very high94.5Very high76 Ų7650.5 Ų50.536%0.35526%0.255SS..  trans-128.6136.9175.3-67.8-178.4-14.100109.8S211 Q212 N333S211-Q344 PolarHBondContact OG-OE1 3.33Å; Q212-Q344 PolarHBondContact NE2-O 3.15Å; N333-Q344 HydrophobicContact CB-CG 4.42Å; N333-Q344 WeakPolarHBondContact OD1-CA 3.22Å
345I97.6Very high94.1Very high3 Ų346.2 Ų46.22%0.01524%0.242CC..  trans-90.3145174.357.3163.3000111.5L301 A309 C312 I315 F329 V332 N333L301-I345 HydrophobicContact CB-CD1 4.49Å; L301-I345 HydrophobicContact CD1-CD1 3.91Å; L301-I345 HydrophobicContact CD2-CD1 3.78Å; L301-I345 HydrophobicContact CG-CD1 4.28Å; A309-I345 HydrophobicContact CB-CD1 3.72Å; A309-I345 HydrophobicContact CB-CG1 4.48Å; A309-I345 HydrophobicContact CB-CG2 4.14Å; A309-I345 WeakPolarHBondContact O-CG2 3.31Å; C312-I345 WeakPolarHBondContact O-CG2 3.34Å; I315-I345 HydrophobicContact CD1-CB 3.64Å; I315-I345 HydrophobicContact CD1-CD1 3.74Å; I315-I345 HydrophobicContact CD1-CG1 4.26Å; I315-I345 HydrophobicContact CD1-CG2 3.9Å; F329-I345 HydrophobicContact CD1-CD1 3.79Å; F329-I345 HydrophobicContact CD1-CG1 3.96Å; F329-I345 HydrophobicContact CE1-CD1 3.93Å; F329-I345 HydrophobicContact CE1-CG1 4.34Å; F329-I345 HydrophobicContact CG-CD1 4.48Å; V332-I345 HydrophobicContact CB-CD1 4.42Å; V332-I345 HydrophobicContact CG1-CD1 3.85Å; V332-I345 HydrophobicContact CG1-CG1 4.37Å; N333-I345 PolarHBondContact ND2-O 3Å; N333-I345 WeakPolarHBondContact OD1-CG1 3.48Å; N333-I345 PolarHBondContact OD1-N 2.95Å
346A98.1Very high93.6Very high0 Ų049.8 Ų49.80%026%0.259CS..EExtended strand (participates in β ladder)trans-114.5153.8174.800000112.1C210 Q212 D313 M314 I315 F329 I378C210-A346 WeakPolarHBondContact SG-CB 3.43Å; Q212-A346 HydrophobicContact CB-CB 4.09Å; Q212-A346 HydrophobicContact CG-CB 3.97Å; D313-A346 PolarHBondContact O-N 2.84Å; M314-A346 CarbonylContact C-O 3.55Å; M314-A346 VanDerWaalsContact CA-O 3.24Å; M314-A346 WeakPolarHBondContact CA-O 3.43Å; M314-A346 HydrophobicContact CG-CB 4.11Å; I315-A346 PolarHBondContact N-O 3.34Å; F329-A346 WeakPolarHBondContact CE1-O 3.24Å; A346-I378 CarbonylContact C-O 3.58Å; A346-I378 VanDerWaalsContact CA-O 3.28Å; A346-I378 WeakPolarHBondContact CA-O 3.38Å; A346-I378 WeakPolarHBondContact CB-O 3.46Å
347A98.4Very high93.3Very high0 Ų052.9 Ų52.90%029%0.292CS..EExtended strand (participates in β ladder)trans-89.1129.9173.300000110.5V317 F326 F329 I378 I379 G380V317-A347 HydrophobicContact CG2-CB 3.93Å; F326-A347 HydrophobicContact CD1-CB 4.2Å; F326-A347 HydrophobicContact CE1-CB 3.98Å; F329-A347 HydrophobicContact CD1-CB 4.3Å; F329-A347 HydrophobicContact CE1-CB 3.9Å; F329-A347 HydrophobicContact CE2-CB 4.41Å; F329-A347 HydrophobicContact CZ-CB 3.97Å; A347-I378 HydrophobicContact CB-CG2 3.83Å; A347-I378 PolarHBondContact N-O 3.02Å; A347-I379 HydrophobicContact CB-CD1 4.32Å; A347-G380 PolarHBondContact O-N 3.08Å
348L98.1Very high93.2Very high0 Ų050 Ų500%028%0.282CS..EExtended strand (participates in β ladder)trans-102.4100.3167.2-171.768.8000109I285 M314 I315 T316 V317 V350 V383 W401I285-L348 HydrophobicContact CD1-CD2 4.42Å; I285-L348 HydrophobicContact CG2-CD2 4.28Å; M314-L348 HydrophobicContact CB-CB 4.46Å; I315-L348 PolarHBondContact O-N 3.47Å; T316-L348 VanDerWaalsContact CA-O 3.26Å; T316-L348 WeakPolarHBondContact CA-O 3.16Å; T316-L348 HydrophobicContact CG2-CB 4.28Å; T316-L348 HydrophobicContact CG2-CD2 3.96Å; T316-L348 HydrophobicContact CG2-CG 4.41Å; V317-L348 PolarHBondContact N-O 2.86Å; L348-V350 PolarHBondContact O-N 3.28Å; L348-V383 HydrophobicContact CD2-CG2 3.91Å; L348-V383 HydrophobicContact CG-CG2 3.97Å; L348-W401 HydrophobicContact CD1-CB 4.24Å; L348-W401 HydrophobicContact CD1-CD2 3.88Å; L348-W401 HydrophobicContact CD1-CG 3.56Å; L348-W401 HydrophobicContact CD2-CB 4.37Å; L348-W401 HydrophobicContact CD2-CD2 4.04Å; L348-W401 HydrophobicContact CD2-CE3 4.24Å; L348-W401 HydrophobicContact CD2-CG 4.1Å; L348-W401 HydrophobicContact CG-CG 4.44Å
349V98.2Very high93Very high0 Ų052 Ų520%030%0.295CS..EExtended strand (participates in β ladder)trans-75.3125.9-170.81710000111V317 C319 F326 A351 C368 I372 I379 G381 F382 V383V317-V349 HydrophobicContact CG2-CG2 4.02Å; V317-V349 CarbonylContact O-C 3.51Å; V317-V349 WeakPolarHBondContact O-CA 3.35Å; C319-V349 WeakPolarHBondContact SG-CG1 3.4Å; F326-V349 HydrophobicContact CE1-CG2 3.99Å; F326-V349 HydrophobicContact CZ-CG2 4Å; V349-A351 PolarHBondContact O-N 2.93Å; V349-C368 HydrophobicContact CG1-CB 4.2Å; V349-I372 HydrophobicContact CB-CD1 4.13Å; V349-I372 HydrophobicContact CB-CG1 4.28Å; V349-I372 HydrophobicContact CG1-CD1 4.01Å; V349-I372 HydrophobicContact CG1-CG1 4.33Å; V349-I372 HydrophobicContact CG2-CD1 4.45Å; V349-I372 HydrophobicContact CG2-CG1 4.04Å; V349-I379 HydrophobicContact CG2-CD1 3.8Å; V349-G381 PolarHBondContact N-O 2.91Å; V349-F382 HydrophobicContact CB-CB 3.96Å; V349-F382 CarbonylContact O-C 3.32Å; V349-F382 WeakPolarHBondContact O-CA 3.46Å; V349-F382 VanDerWaalsContact O-CB 3.22Å; V349-F382 WeakPolarHBondContact O-CB 3.31Å; V349-V383 PolarHBondContact O-N 2.88Å
350V97.8Very high93Very high4 Ų448 Ų482%0.02428%0.275CS..EExtended strand (participates in β ladder)trans-83.193.5172.7-174.60000109.3K289 V317 H318 L348 M353 Y364 V383K289-V350 HydrophobicContact CG-CG2 4.41Å; V317-V350 PolarHBondContact O-N 3.42Å; H318-V350 VanDerWaalsContact CE1-CG1 3.46Å; H318-V350 WeakPolarHBondContact CE1-CG1 3.49Å; L348-V350 PolarHBondContact O-N 3.28Å; V350-M353 HydrophobicContact CG1-CG 3.65Å; V350-M353 HydrophobicContact CG1-SD 4.47Å; V350-Y364 VanDerWaalsContact O-CE1 3.32Å; V350-Y364 WeakPolarHBondContact O-CE1 3.37Å; V350-Y364 PolarHBondContact O-OH 3.17Å; V350-V383 HydrophobicContact CG2-CB 4.47Å; V350-V383 HydrophobicContact CG2-CG2 4.26Å
351A95.6Very high92.8Very high0 Ų048.3 Ų48.30%026%0.264CS..  trans-89.2-31.8179.700000112.2V349 T360 Y364 Q365 C368 F382 V383 I388V349-A351 PolarHBondContact O-N 2.93Å; A351-T360 WeakPolarHBondContact O-CB 3.47Å; A351-Y364 WeakPolarHBondContact O-CD1 3.22Å; A351-Y364 WeakPolarHBondContact O-CE1 3.19Å; A351-Q365 VanDerWaalsContact O-CG 3.32Å; A351-Q365 WeakPolarHBondContact O-CG 3.38Å; A351-C368 HydrophobicContact CB-CB 4.25Å; A351-F382 HydrophobicContact CB-CD2 4.34Å; A351-V383 PolarHBondContact N-O 3.05Å; A351-I388 HydrophobicContact CB-CD1 3.43Å; A351-I388 VanDerWaalsContact CB-CD1 3.43Å
352E94.7Very high92.4Very high26 Ų2644.9 Ų44.912%0.12125%0.251CS..SBendtrans-144.1147.1173.6-167.5-175.7-172.300110.2V383 A384 Q385 H386E352-V383 PolarHBondContact N-O 3.11Å; E352-A384 HydrophobicContact CB-CB 4.32Å; E352-Q385 HydrophobicContact CG-CB 4.32Å; E352-Q385 HydrophobicContact CG-CG 4.43Å; E352-Q385 WeakPolarHBondContact OE2-CA 3.31Å; E352-Q385 WeakPolarHBondContact OE2-CB 3.37Å; E352-Q385 PolarHBondContact OE2-N 2.92Å; E352-H386 IonicContact OE1-CE1 3.87Å; E352-H386 IonicContact OE1-CG 3.25Å; E352-H386 IonicContact OE1-ND1 3.71Å; E352-H386 PolarHBondContact OE1-ND1 3.44Å; E352-H386 IonicContact OE2-CG 2.84Å; E352-H386 PolarHBondContact OE2-N 2.8Å; E352-H386 IonicContact OE2-ND1 3.53Å; E352-H386 PolarHBondContact OE2-ND1 2.72Å
353M92.9Very high92.5Very high59 Ų5940.2 Ų40.229%0.29124%0.236SC..  trans-111.6156.6178.8-62.2177.472.700111.1V350 A358 T360V350-M353 HydrophobicContact CG1-CG 3.65Å; V350-M353 HydrophobicContact CG1-SD 4.47Å; M353-A358 HydrophobicContact CB-CB 3.91Å; M353-T360 HydrophobicContact CG-CG2 3.98Å; M353-T360 PolarHBondContact N-OG1 3.15Å; M353-T360 HydrophobicContact SD-CG2 4.37Å
354S89.1Confident92.8Very high16 Ų1639.3 Ų39.311%0.11223%0.231CC..SBendtrans-89.5-3.7-179.342.50000114.3Q416 H417S354-Q416 VanDerWaalsContact CB-NE2 3.32Å; S354-Q416 PolarHBondContact OG-NE2 3.13Å; S354-Q416 PolarHBondContact OG-OE1 3.4Å; S354-H417 PolarHBondContact O-N 3.35Å; S354-H417 VanDerWaalsContact O-N 3.13Å
355C89.2Confident92.6Very high44 Ų4436.8 Ų36.830%0.29722%0.219SC..BIsolated β-bridgetrans-85.8150.517959.60000112.4G415C355-G415 CarbonylContact C-O 3.5Å; C355-G415 WeakPolarHBondContact CA-O 3.46Å
356Q87.8Confident91.9Very high147 Ų14739.6 Ų39.669%0.68723%0.234SC*.THydrogen-bonded Turntrans-63.5139.6175-168.9174.4-7.300111.2A358 G415Q356-A358 VanDerWaalsContact C-N 3.26Å; Q356-A358 PolarHBondContact O-N 3.36Å; Q356-G415 PolarHBondContact N-O 3.18Å
357G89.8Confident91.5Very high68 Ų6845.3 Ų45.370%0.70126%0.261SS*.THydrogen-bonded Turntrans74.412175.500000114.7L359G357-L359 PolarHBondContact O-N 3.15Å
358A92Very high91.3Very high32 Ų3245.3 Ų45.326%0.26426%0.261SS..  trans-56.2134.3175.700000111.8M353 Q356 T360M353-A358 HydrophobicContact CB-CB 3.91Å; Q356-A358 VanDerWaalsContact C-N 3.26Å; Q356-A358 PolarHBondContact O-N 3.36Å; A358-T360 PolarHBondContact O-N 3.01Å; A358-T360 VanDerWaalsContact O-N 3.16Å
359L93.7Very high90.7Very high153 Ų15345.6 Ų45.680%0.80126%0.262SS*.  trans-81.116.9178.2-58.9-178.3000113.2G357 T361G357-L359 PolarHBondContact O-N 3.15Å; L359-T361 PolarHBondContact O-N 3.36Å
360T92.5Very high90.2Very high14 Ų1449 Ų499%0.08629%0.286CS..  trans-77.863.3174.653.90000111.1A351 M353 A358 Y364 Q365A351-T360 WeakPolarHBondContact O-CB 3.47Å; M353-T360 HydrophobicContact CG-CG2 3.98Å; M353-T360 PolarHBondContact N-OG1 3.15Å; M353-T360 HydrophobicContact SD-CG2 4.37Å; A358-T360 PolarHBondContact O-N 3.01Å; A358-T360 VanDerWaalsContact O-N 3.16Å; T360-Y364 HydrophobicContact CG2-CD1 3.98Å; T360-Y364 HydrophobicContact CG2-CE1 3.77Å; T360-Q365 PolarHBondContact O-NE2 3Å
361T88.5Confident89.9Confident64 Ų6450.1 Ų50.139%0.39329%0.292SS..  trans-65.1164.5179.265.10000112.2L359 S363 Y364 Q365L359-T361 PolarHBondContact O-N 3.36Å; T361-S363 PolarHBondContact O-N 2.77Å; T361-Y364 CarbonylContact O-C 3.58Å; T361-Y364 WeakPolarHBondContact O-CA 3.47Å; T361-Y364 WeakPolarHBondContact O-CB 3.45Å; T361-Y364 PolarHBondContact O-N 2.71Å; T361-Y364 PolarHBondContact OG1-N 3.3Å; T361-Q365 WeakPolarHBondContact O-CG 3.35Å; T361-Q365 PolarHBondContact O-N 2.98Å
362D81.9Confident89.8Confident32 Ų3250.1 Ų50.117%0.17129%0.292CS..Hα-helixtrans-59.2-34.3177.4-46.414.8000111.4K99 Q365 N366K99-D362 WeakPolarHBondContact CB-OD2 3.31Å; K99-D362 WeakPolarHBondContact CD-OD1 3.43Å; K99-D362 WeakPolarHBondContact CE-OD1 3.43Å; K99-D362 IonicContact NZ-OD1 3.01Å; K99-D362 PolarHBondContact NZ-OD1 3.46Å; D362-Q365 PolarHBondContact O-N 3.23Å; D362-N366 WeakPolarHBondContact O-CB 3.46Å; D362-N366 VanDerWaalsContact O-CG 3.22Å; D362-N366 PolarHBondContact O-N 3.39Å; D362-N366 PolarHBondContact O-ND2 3.36Å; D362-N366 VanDerWaalsContact O-ND2 3.15Å
363S85.6Confident89.4Confident61 Ų6153 Ų5343%0.42730%0.304SS..Hα-helixtrans-63.6-42.8172.4-175.10000111.7T361 N366 Q367T361-S363 PolarHBondContact O-N 2.77Å; S363-N366 PolarHBondContact O-N 2.94Å; S363-Q367 WeakPolarHBondContact O-CG 3.38Å; S363-Q367 PolarHBondContact O-N 2.81Å; S363-Q367 VanDerWaalsContact O-N 3.09Å
364Y92.8Very high89.3Confident26 Ų2654.6 Ų54.610%0.10232%0.317CS..Hα-helixtrans-64.3-45.1174.9169.9-96000110.8H318 C319 V350 A351 T360 T361 N366 Q367 C368H318-Y364 PolarHBondContact ND1-OH 3.48Å; H318-Y364 VanDerWaalsContact ND1-OH 3.12Å; C319-Y364 HydrophobicContact CB-CE2 4.43Å; C319-Y364 PolarHBondContact N-OH 3.35Å; V350-Y364 VanDerWaalsContact O-CE1 3.32Å; V350-Y364 WeakPolarHBondContact O-CE1 3.37Å; V350-Y364 PolarHBondContact O-OH 3.17Å; A351-Y364 WeakPolarHBondContact O-CD1 3.22Å; A351-Y364 WeakPolarHBondContact O-CE1 3.19Å; T360-Y364 HydrophobicContact CG2-CD1 3.98Å; T360-Y364 HydrophobicContact CG2-CE1 3.77Å; T361-Y364 CarbonylContact O-C 3.58Å; T361-Y364 WeakPolarHBondContact O-CA 3.47Å; T361-Y364 WeakPolarHBondContact O-CB 3.45Å; T361-Y364 PolarHBondContact O-N 2.71Å; T361-Y364 PolarHBondContact OG1-N 3.3Å; Y364-N366 PolarHBondContact O-N 3.4Å; Y364-Q367 PolarHBondContact O-N 3.22Å; Y364-C368 WeakPolarHBondContact CE1-SG 3.37Å; Y364-C368 PolarHBondContact O-N 3.11Å; Y364-C368 PolarHBondContact O-SG 2.79Å
365Q89.6Confident89.6Confident23 Ų2354.1 Ų54.111%0.10731%0.313CS..Hα-helixtrans-57.3-46.9175.9-67.9170.37.400111.5A351 T360 T361 D362 Q367 C368 I369 I388A351-Q365 VanDerWaalsContact O-CG 3.32Å; A351-Q365 WeakPolarHBondContact O-CG 3.38Å; T360-Q365 PolarHBondContact O-NE2 3Å; T361-Q365 WeakPolarHBondContact O-CG 3.35Å; T361-Q365 PolarHBondContact O-N 2.98Å; D362-Q365 PolarHBondContact O-N 3.23Å; Q365-Q367 VanDerWaalsContact C-N 3.33Å; Q365-Q367 PolarHBondContact O-N 3.45Å; Q365-C368 VanDerWaalsContact O-CB 3.32Å; Q365-C368 WeakPolarHBondContact O-CB 3.39Å; Q365-C368 PolarHBondContact O-N 3.48Å; Q365-I369 VanDerWaalsContact O-CG1 3.31Å; Q365-I369 WeakPolarHBondContact O-CG1 3.44Å; Q365-I369 PolarHBondContact O-N 2.94Å; Q365-I388 HydrophobicContact CB-CD1 4.22Å; Q365-I388 HydrophobicContact CB-CG2 3.94Å; Q365-I388 HydrophobicContact CG-CD1 4.14Å
366N83.8Confident89.8Confident62 Ų6253.5 Ų53.533%0.33231%0.308SS..Hα-helixtrans-61.9-38.1177.4-73-30.9000112.7D362 S363 Y364 I369 S370D362-N366 WeakPolarHBondContact O-CB 3.46Å; D362-N366 VanDerWaalsContact O-CG 3.22Å; D362-N366 PolarHBondContact O-N 3.39Å; D362-N366 PolarHBondContact O-ND2 3.36Å; D362-N366 VanDerWaalsContact O-ND2 3.15Å; S363-N366 PolarHBondContact O-N 2.94Å; Y364-N366 PolarHBondContact O-N 3.4Å; N366-I369 PolarHBondContact O-N 2.81Å; N366-S370 PolarHBondContact O-N 2.83Å
367Q89.1Confident90.1Very high120 Ų12049.2 Ų49.256%0.56129%0.29SS*.Hα-helixtrans-68.6-40.1174.3-71.1174.1900111.9S363 Y364 Q365 I369 S370 L371S363-Q367 WeakPolarHBondContact O-CG 3.38Å; S363-Q367 PolarHBondContact O-N 2.81Å; S363-Q367 VanDerWaalsContact O-N 3.09Å; Y364-Q367 PolarHBondContact O-N 3.22Å; Q365-Q367 VanDerWaalsContact C-N 3.33Å; Q365-Q367 PolarHBondContact O-N 3.45Å; Q367-I369 VanDerWaalsContact C-N 3.31Å; Q367-I369 PolarHBondContact O-N 2.86Å; Q367-S370 WeakPolarHBondContact O-CB 3.49Å; Q367-S370 PolarHBondContact O-N 3.49Å; Q367-L371 PolarHBondContact O-N 3.35Å
368C93.9Very high90.4Very high0 Ų046.3 Ų46.30%026%0.258CS..Hα-helixtrans-56.5-46.9170.8-70.80000110.8C319 V349 A351 Y364 Q365 S370 L371 I372C319-C368 HydrophobicContact CB-CB 4.46Å; C319-C368 WeakPolarHBondContact CB-SG 3.34Å; C319-C368 VanDerWaalsContact SG-SG 3.66Å; V349-C368 HydrophobicContact CG1-CB 4.2Å; A351-C368 HydrophobicContact CB-CB 4.25Å; Y364-C368 WeakPolarHBondContact CE1-SG 3.37Å; Y364-C368 PolarHBondContact O-N 3.11Å; Y364-C368 PolarHBondContact O-SG 2.79Å; Q365-C368 VanDerWaalsContact O-CB 3.32Å; Q365-C368 WeakPolarHBondContact O-CB 3.39Å; Q365-C368 PolarHBondContact O-N 3.48Å; C368-S370 VanDerWaalsContact C-N 3.32Å; C368-S370 PolarHBondContact O-N 2.82Å; C368-L371 PolarHBondContact O-N 3.39Å; C368-L371 VanDerWaalsContact O-N 3.16Å; C368-I372 HydrophobicContact CB-CD1 4.45Å; C368-I372 WeakPolarHBondContact O-CB 3.16Å; C368-I372 WeakPolarHBondContact O-CD1 3.4Å; C368-I372 WeakPolarHBondContact O-CG1 3.18Å; C368-I372 PolarHBondContact O-N 3.33Å
369I86.8Confident90.6Very high6 Ų644.8 Ų44.83%0.03125%0.246CC..Hα-helixtrans-59.7-42.3177.9-68.2-64.2000111.4Q365 N366 Q367 L371 I372 K373 F382 I388 I391Q365-I369 VanDerWaalsContact O-CG1 3.31Å; Q365-I369 WeakPolarHBondContact O-CG1 3.44Å; Q365-I369 PolarHBondContact O-N 2.94Å; N366-I369 PolarHBondContact O-N 2.81Å; Q367-I369 VanDerWaalsContact C-N 3.31Å; Q367-I369 PolarHBondContact O-N 2.86Å; I369-L371 VanDerWaalsContact C-N 3.33Å; I369-L371 PolarHBondContact O-N 3.03Å; I369-I372 HydrophobicContact CD1-CD1 4.39Å; I369-I372 PolarHBondContact O-N 2.82Å; I369-K373 HydrophobicContact CG2-CD 4.19Å; I369-K373 VanDerWaalsContact O-CG 3.25Å; I369-K373 WeakPolarHBondContact O-CG 3.43Å; I369-K373 PolarHBondContact O-N 3.07Å; I369-F382 HydrophobicContact CD1-CE2 4.19Å; I369-F382 HydrophobicContact CD1-CZ 4.31Å; I369-I388 HydrophobicContact CD1-CB 4.13Å; I369-I388 HydrophobicContact CD1-CG2 3.85Å; I369-I388 HydrophobicContact CG1-CB 4.36Å; I369-I388 HydrophobicContact CG1-CG2 3.53Å; I369-I391 HydrophobicContact CD1-CB 4.46Å; I369-I391 HydrophobicContact CD1-CD1 3.43Å; I369-I391 VanDerWaalsContact CD1-CD1 3.43Å; I369-I391 HydrophobicContact CD1-CG1 3.82Å; I369-I391 HydrophobicContact CG2-CD1 4.03Å; I369-I391 HydrophobicContact CG2-CG1 3.75Å
370S86.7Confident90.7Very high72 Ų7237.5 Ų37.550%0.50321%0.208SC..Hα-helixtrans-58.7-45.5175.3-169.20000111.9N366 Q367 C368 K373 T374N366-S370 PolarHBondContact O-N 2.83Å; Q367-S370 WeakPolarHBondContact O-CB 3.49Å; Q367-S370 PolarHBondContact O-N 3.49Å; C368-S370 VanDerWaalsContact C-N 3.32Å; C368-S370 PolarHBondContact O-N 2.82Å; S370-K373 PolarHBondContact O-N 3.07Å; S370-T374 PolarHBondContact O-N 3.45Å; S370-T374 PolarHBondContact O-OG1 2.88Å
371L92.5Very high90.8Very high27 Ų2736.8 Ų36.814%0.14120%0.203CC..Hα-helixtrans-70-37.5178.9-72.9167.1000112.5C319 P323 F326 Q367 C368 I369 K373 T374 N375C319-L371 HydrophobicContact CB-CD1 3.69Å; P323-L371 HydrophobicContact CB-CD2 3.92Å; P323-L371 HydrophobicContact CG-CD2 4.48Å; F326-L371 HydrophobicContact CE2-CB 3.93Å; F326-L371 HydrophobicContact CE2-CD1 4.33Å; F326-L371 HydrophobicContact CE2-CD2 4.45Å; F326-L371 HydrophobicContact CE2-CG 4.47Å; Q367-L371 PolarHBondContact O-N 3.35Å; C368-L371 PolarHBondContact O-N 3.39Å; C368-L371 VanDerWaalsContact O-N 3.16Å; I369-L371 VanDerWaalsContact C-N 3.33Å; I369-L371 PolarHBondContact O-N 3.03Å; L371-K373 VanDerWaalsContact C-N 3.3Å; L371-K373 PolarHBondContact O-N 2.87Å; L371-T374 PolarHBondContact O-N 3.25Å; L371-T374 PolarHBondContact O-OG1 3.31Å; L371-T374 VanDerWaalsContact O-OG1 3.1Å; L371-N375 WeakPolarHBondContact O-CB 3.17Å; L371-N375 PolarHBondContact O-N 3.36Å; L371-N375 PolarHBondContact O-ND2 3.44Å
372I92.6Very high91Very high0 Ų033.8 Ų33.80%019%0.185CC..Hα-helixtrans-59.4-44.8176.1-75.8165000110F208 V349 C368 I369 T374 N375 I379 F382 I391F208-I372 HydrophobicContact CE1-CG2 3.59Å; F208-I372 HydrophobicContact CZ-CG2 3.47Å; F208-I372 VanDerWaalsContact CZ-CG2 3.47Å; V349-I372 HydrophobicContact CB-CD1 4.13Å; V349-I372 HydrophobicContact CB-CG1 4.28Å; V349-I372 HydrophobicContact CG1-CD1 4.01Å; V349-I372 HydrophobicContact CG1-CG1 4.33Å; V349-I372 HydrophobicContact CG2-CD1 4.45Å; V349-I372 HydrophobicContact CG2-CG1 4.04Å; C368-I372 HydrophobicContact CB-CD1 4.45Å; C368-I372 WeakPolarHBondContact O-CB 3.16Å; C368-I372 WeakPolarHBondContact O-CD1 3.4Å; C368-I372 WeakPolarHBondContact O-CG1 3.18Å; C368-I372 PolarHBondContact O-N 3.33Å; I369-I372 HydrophobicContact CD1-CD1 4.39Å; I369-I372 PolarHBondContact O-N 2.82Å; I372-T374 VanDerWaalsContact C-N 3.3Å; I372-T374 PolarHBondContact O-N 2.61Å; I372-N375 PolarHBondContact O-N 3.48Å; I372-I379 HydrophobicContact CB-CG1 4.41Å; I372-I379 HydrophobicContact CG1-CD1 4.4Å; I372-I379 HydrophobicContact CG1-CG1 4.37Å; I372-I379 HydrophobicContact CG2-CG1 4.29Å; I372-I379 HydrophobicContact CG2-CG2 4.25Å; I372-F382 HydrophobicContact CD1-CB 3.96Å; I372-F382 HydrophobicContact CD1-CD1 4.07Å; I372-F382 HydrophobicContact CD1-CD2 4.4Å; I372-F382 HydrophobicContact CD1-CG 3.94Å; I372-I391 HydrophobicContact CB-CD1 4.1Å; I372-I391 HydrophobicContact CG2-CD1 3.37Å
373K87.1Confident91.6Very high88 Ų8832.8 Ų32.838%0.38318%0.18SC..Hα-helixtrans-63-31.3178.8-72.5175.7175.3-174.90114.1L206 I369 S370 L371 G390 I391L206-K373 HydrophobicContact CD1-CB 4.45Å; L206-K373 HydrophobicContact CD2-CB 4.3Å; L206-K373 HydrophobicContact CD2-CG 3.7Å; I369-K373 HydrophobicContact CG2-CD 4.19Å; I369-K373 VanDerWaalsContact O-CG 3.25Å; I369-K373 WeakPolarHBondContact O-CG 3.43Å; I369-K373 PolarHBondContact O-N 3.07Å; S370-K373 PolarHBondContact O-N 3.07Å; L371-K373 VanDerWaalsContact C-N 3.3Å; L371-K373 PolarHBondContact O-N 2.87Å; K373-G390 WeakPolarHBondContact CE-O 3.43Å; K373-G390 PolarHBondContact NZ-O 2.65Å; K373-I391 HydrophobicContact CG-CD1 4.42Å; K373-I391 HydrophobicContact CG-CG1 4.28Å
374T90.3Very high92Very high92 Ų9229.9 Ų29.956%0.56416%0.159SC*.Hα-helixtrans-92.7-4.4-177.558.20000113.5S370 L371 I372S370-T374 PolarHBondContact O-N 3.45Å; S370-T374 PolarHBondContact O-OG1 2.88Å; L371-T374 PolarHBondContact O-N 3.25Å; L371-T374 PolarHBondContact O-OG1 3.31Å; L371-T374 VanDerWaalsContact O-OG1 3.1Å; I372-T374 VanDerWaalsContact C-N 3.3Å; I372-T374 PolarHBondContact O-N 2.61Å
375N95.1Very high91.8Very high6 Ų629.1 Ų29.13%0.03216%0.157CC..  trans-129.334.5-174.7-63.7-79.2000112.5F326 R330 L371 I372 D377 I378 I379F326-N375 HydrophobicContact CB-CB 4.13Å; F326-N375 WeakPolarHBondContact CB-OD1 3.33Å; F326-N375 HydrophobicContact CD1-CB 4.3Å; F326-N375 HydrophobicContact CD2-CB 4.38Å; F326-N375 HydrophobicContact CG-CB 4.01Å; R330-N375 PolarHBondContact NH1-OD1 3Å; R330-N375 PolarHBondContact NH2-OD1 3.49Å; L371-N375 WeakPolarHBondContact O-CB 3.17Å; L371-N375 PolarHBondContact O-N 3.36Å; L371-N375 PolarHBondContact O-ND2 3.44Å; I372-N375 PolarHBondContact O-N 3.48Å; N375-D377 PolarHBondContact O-N 3.38Å; N375-I378 PolarHBondContact O-N 3.41Å; N375-I379 HydrophobicContact CB-CD1 4.36Å; N375-I379 HydrophobicContact CB-CG1 4.41Å; N375-I379 WeakPolarHBondContact O-CG1 3.39Å; N375-I379 PolarHBondContact O-N 3Å
376T93.2Very high91.7Very high30 Ų3032.1 Ų32.118%0.18417%0.171CC..THydrogen-bonded Turntrans-56.7-20.1-17450.50000115.2L206 F208 T209 C210L206-T376 HydrophobicContact CD1-CG2 3.69Å; L206-T376 HydrophobicContact CD2-CG2 4.5Å; L206-T376 HydrophobicContact CG-CG2 3.98Å; F208-T376 HydrophobicContact CD1-CG2 3.95Å; F208-T376 HydrophobicContact CE1-CG2 3.95Å; F208-T376 HydrophobicContact CG-CG2 4.25Å; F208-T376 HydrophobicContact CZ-CG2 4.32Å; T209-T376 PolarHBondContact N-O 3.17Å; C210-T376 PolarHBondContact N-O 2.69Å
377D94.7Very high91.5Very high58 Ų5830.7 Ų30.731%0.3117%0.165SC..THydrogen-bonded Turntrans-74.5-22.2175.460.8-49.4000113.8T209 C210 R330 N375T209-D377 WeakPolarHBondContact OG1-CA 3.48Å; C210-D377 WeakPolarHBondContact CA-O 3.47Å; R330-D377 IonicContact CZ-OD1 3.99Å; R330-D377 IonicContact CZ-OD2 3.57Å; R330-D377 IonicContact NE-OD1 3.71Å; R330-D377 IonicContact NE-OD2 3.98Å; R330-D377 PolarHBondContact NE-OD2 3.27Å; R330-D377 IonicContact NH2-OD1 3.74Å; R330-D377 PolarHBondContact NH2-OD1 3.48Å; R330-D377 IonicContact NH2-OD2 3.95Å; R330-D377 PolarHBondContact NH2-OD2 3.13Å; N375-D377 PolarHBondContact O-N 3.38Å
378I97Very high90.9Very high6 Ų625.1 Ų25.13%0.03114%0.139CC..THydrogen-bonded Turntrans-111.4-26.7-177.2-61.2-55000112.5F326 F329 R330 A346 A347 N375 G380F326-I378 HydrophobicContact CD1-CG2 4.25Å; F329-I378 HydrophobicContact CB-CD1 4.13Å; F329-I378 HydrophobicContact CB-CG1 4.23Å; F329-I378 HydrophobicContact CB-CG2 3.51Å; F329-I378 HydrophobicContact CD1-CG2 3.71Å; F329-I378 HydrophobicContact CG-CG2 3.69Å; R330-I378 HydrophobicContact CG-CD1 3.85Å; R330-I378 HydrophobicContact CG-CG1 3.84Å; A346-I378 CarbonylContact C-O 3.58Å; A346-I378 VanDerWaalsContact CA-O 3.28Å; A346-I378 WeakPolarHBondContact CA-O 3.38Å; A346-I378 WeakPolarHBondContact CB-O 3.46Å; A347-I378 HydrophobicContact CB-CG2 3.83Å; A347-I378 PolarHBondContact N-O 3.02Å; N375-I378 PolarHBondContact O-N 3.41Å; I378-G380 PolarHBondContact O-N 3.45Å
379I96.2Very high89.8Confident0 Ų026.7 Ų26.70%015%0.15CC..EExtended strand (participates in β ladder)trans-72.6119.3-175.7-54-49.4000111.1F208 C210 F326 A347 V349 I372 N375 I398F208-I379 HydrophobicContact CD1-CB 3.85Å; F208-I379 HydrophobicContact CD1-CG2 4.27Å; F208-I379 HydrophobicContact CE1-CB 3.73Å; F208-I379 HydrophobicContact CE1-CG1 4.17Å; F208-I379 HydrophobicContact CE1-CG2 3.92Å; C210-I379 WeakPolarHBondContact CB-O 3.46Å; F326-I379 HydrophobicContact CD1-CD1 3.89Å; F326-I379 HydrophobicContact CE1-CD1 3.41Å; F326-I379 VanDerWaalsContact CE1-CD1 3.41Å; F326-I379 HydrophobicContact CZ-CD1 4.11Å; A347-I379 HydrophobicContact CB-CD1 4.32Å; V349-I379 HydrophobicContact CG2-CD1 3.8Å; I372-I379 HydrophobicContact CB-CG1 4.41Å; I372-I379 HydrophobicContact CG1-CD1 4.4Å; I372-I379 HydrophobicContact CG1-CG1 4.37Å; I372-I379 HydrophobicContact CG2-CG1 4.29Å; I372-I379 HydrophobicContact CG2-CG2 4.25Å; N375-I379 HydrophobicContact CB-CD1 4.36Å; N375-I379 HydrophobicContact CB-CG1 4.41Å; N375-I379 WeakPolarHBondContact O-CG1 3.39Å; N375-I379 PolarHBondContact O-N 3Å; I379-I398 HydrophobicContact CB-CD1 4.47Å; I379-I398 HydrophobicContact CG2-CD1 3.51Å
380G94.7Very high88.8Confident0 Ų028.5 Ų28.50%017%0.17CC..EExtended strand (participates in β ladder)trans-96.1-7.4172.800000114.3L213 A347 I378L213-G380 WeakPolarHBondContact CD2-O 3.4Å; A347-G380 PolarHBondContact O-N 3.08Å; I378-G380 PolarHBondContact O-N 3.45Å
381G94.2Very high87.8Confident0 Ų025.3 Ų25.30%015%0.148CC..EExtended strand (participates in β ladder)trans156.1-179-177.400000111.2V349V349-G381 PolarHBondContact N-O 2.91Å
382F92.5Very high86.5Confident0 Ų026.5 Ų26.50%015%0.154CC..EExtended strand (participates in β ladder)trans-147.7140.4171.953.9-79.9000112.6V349 A351 I369 I372 I388 I391 I393 I398 S399 Y400 W401V349-F382 HydrophobicContact CB-CB 3.96Å; V349-F382 CarbonylContact O-C 3.32Å; V349-F382 WeakPolarHBondContact O-CA 3.46Å; V349-F382 VanDerWaalsContact O-CB 3.22Å; V349-F382 WeakPolarHBondContact O-CB 3.31Å; A351-F382 HydrophobicContact CB-CD2 4.34Å; I369-F382 HydrophobicContact CD1-CE2 4.19Å; I369-F382 HydrophobicContact CD1-CZ 4.31Å; I372-F382 HydrophobicContact CD1-CB 3.96Å; I372-F382 HydrophobicContact CD1-CD1 4.07Å; I372-F382 HydrophobicContact CD1-CD2 4.4Å; I372-F382 HydrophobicContact CD1-CG 3.94Å; F382-I388 HydrophobicContact CD2-CD1 4.29Å; F382-I388 HydrophobicContact CE2-CD1 4.18Å; F382-I391 HydrophobicContact CE1-CD1 4.4Å; F382-I391 HydrophobicContact CZ-CD1 4.38Å; F382-I393 HydrophobicContact CE1-CD1 3.74Å; F382-I393 HydrophobicContact CE2-CD1 4.35Å; F382-I393 HydrophobicContact CZ-CD1 3.42Å; F382-I393 VanDerWaalsContact CZ-CD1 3.42Å; F382-I393 HydrophobicContact CZ-CG1 4.3Å; F382-I398 HydrophobicContact CD1-CD1 3.87Å; F382-I398 HydrophobicContact CD1-CG1 4.37Å; F382-I398 HydrophobicContact CE1-CD1 3.99Å; F382-I398 HydrophobicContact CE1-CG1 4.36Å; F382-I398 HydrophobicContact CE1-CG2 4.38Å; F382-S399 PolarHBondContact N-O 3.29Å; F382-Y400 AromaticContact CD2-CD1 3.92Å; F382-Y400 HydrophobicContact CD2-CD1 3.92Å; F382-Y400 AromaticContact CD2-CE1 3.97Å; F382-Y400 HydrophobicContact CD2-CE1 3.97Å; F382-Y400 AromaticContact CE2-CD1 3.5Å; F382-Y400 HydrophobicContact CE2-CD1 3.5Å; F382-Y400 VanDerWaalsContact CE2-CD1 3.5Å; F382-Y400 AromaticContact CE2-CE1 3.14Å; F382-Y400 HydrophobicContact CE2-CE1 3.14Å; F382-Y400 AromaticContact CE2-CZ 3.99Å; F382-Y400 HydrophobicContact CZ-CD1 4Å; F382-Y400 AromaticContact CZ-CE1 3.63Å; F382-Y400 HydrophobicContact CZ-CE1 3.63Å; F382-Y400 WeakPolarHBondContact O-CA 3.29Å; F382-W401 PolarHBondContact O-N 2.96Å
383V96Very high85.1Confident11 Ų1126.7 Ų26.77%0.06716%0.155CC..EExtended strand (participates in β ladder)trans-78.2122178.3-174.40000109L348 V349 V350 A351 E352 W401 P403L348-V383 HydrophobicContact CD2-CG2 3.91Å; L348-V383 HydrophobicContact CG-CG2 3.97Å; V349-V383 PolarHBondContact O-N 2.88Å; V350-V383 HydrophobicContact CG2-CB 4.47Å; V350-V383 HydrophobicContact CG2-CG2 4.26Å; A351-V383 PolarHBondContact N-O 3.05Å; E352-V383 PolarHBondContact N-O 3.11Å; V383-W401 WeakPolarHBondContact CA-O 3.31Å; V383-W401 WeakPolarHBondContact CG1-O 3.36Å; V383-W401 HydrophobicContact CG2-CB 4.23Å; V383-P403 HydrophobicContact CG1-CB 4.36Å; V383-P403 HydrophobicContact CG1-CG 3.63Å
384A92.8Very high83.7Confident0 Ų025.6 Ų25.60%016%0.157CC..  trans-150.9151.8174.800000112.2E352 H386 I388 Y400 W401 V402E352-A384 HydrophobicContact CB-CB 4.32Å; A384-H386 WeakPolarHBondContact CB-O 3.31Å; A384-I388 HydrophobicContact CB-CD1 3.91Å; A384-I388 HydrophobicContact CB-CG1 4.26Å; A384-Y400 HydrophobicContact CB-CD1 3.83Å; A384-Y400 HydrophobicContact CB-CE1 4.16Å; A384-W401 PolarHBondContact N-O 3.05Å; A384-W401 VanDerWaalsContact N-O 3.17Å; A384-V402 WeakPolarHBondContact O-CA 3.31Å
385Q89.5Confident82.2Confident10 Ų1022.4 Ų22.45%0.04714%0.139CC..SBendtrans-91.3-26.4171.9-66.8-77.861.900111.7E352 P403 R427E352-Q385 HydrophobicContact CG-CB 4.32Å; E352-Q385 HydrophobicContact CG-CG 4.43Å; E352-Q385 WeakPolarHBondContact OE2-CA 3.31Å; E352-Q385 WeakPolarHBondContact OE2-CB 3.37Å; E352-Q385 PolarHBondContact OE2-N 2.92Å; Q385-P403 PolarHBondContact OE1-O 3.41Å; Q385-R427 VanDerWaalsContact O-CZ 3.32Å; Q385-R427 PolarHBondContact O-NH1 2.67Å
386H86.2Confident80.7Confident86 Ų8622.1 Ų22.140%0.39814%0.138SC..SBendtrans-127.7156.6-178.7-5792.8000111.5E352 A384 I388 R427E352-H386 IonicContact OE1-CE1 3.87Å; E352-H386 IonicContact OE1-CG 3.25Å; E352-H386 IonicContact OE1-ND1 3.71Å; E352-H386 PolarHBondContact OE1-ND1 3.44Å; E352-H386 IonicContact OE2-CG 2.84Å; E352-H386 PolarHBondContact OE2-N 2.8Å; E352-H386 IonicContact OE2-ND1 3.53Å; E352-H386 PolarHBondContact OE2-ND1 2.72Å; A384-H386 WeakPolarHBondContact CB-O 3.31Å; H386-I388 PolarHBondContact O-N 2.98Å; H386-R427 PolarHBondContact NE2-NH1 2.95Å
387P80.7Confident80.1Confident33 Ų3322.9 Ų22.921%0.21414%0.141CC..  trans-55.7132.8166.3-21.231000110.5R427 F428P387-R427 VanDerWaalsContact CG-O 3.26Å; P387-R427 WeakPolarHBondContact CG-O 3.4Å; P387-F428 HydrophobicContact CB-CD1 4.45Å; P387-F428 HydrophobicContact CB-CE1 4.46Å; P387-F428 HydrophobicContact CG-CD1 3.71Å; P387-F428 HydrophobicContact CG-CE1 3.92Å; P387-F428 HydrophobicContact CG-CG 4.38Å
388I76.8Confident79.8Confident2 Ų220.3 Ų20.31%0.0113%0.127CC..  trans-104.5127.4177.1-53.2176.3000108.1A351 Q365 I369 F382 A384 H386 Y400A351-I388 HydrophobicContact CB-CD1 3.43Å; A351-I388 VanDerWaalsContact CB-CD1 3.43Å; Q365-I388 HydrophobicContact CB-CD1 4.22Å; Q365-I388 HydrophobicContact CB-CG2 3.94Å; Q365-I388 HydrophobicContact CG-CD1 4.14Å; I369-I388 HydrophobicContact CD1-CB 4.13Å; I369-I388 HydrophobicContact CD1-CG2 3.85Å; I369-I388 HydrophobicContact CG1-CB 4.36Å; I369-I388 HydrophobicContact CG1-CG2 3.53Å; F382-I388 HydrophobicContact CD2-CD1 4.29Å; F382-I388 HydrophobicContact CE2-CD1 4.18Å; A384-I388 HydrophobicContact CB-CD1 3.91Å; A384-I388 HydrophobicContact CB-CG1 4.26Å; H386-I388 PolarHBondContact O-N 2.98Å; I388-Y400 HydrophobicContact CG1-CE1 4.39Å; I388-Y400 PolarHBondContact N-OH 3.11Å; I388-Y400 PolarHBondContact O-OH 3.05Å
389S70.2Confident79.4Confident34 Ų3420.2 Ų20.224%0.23813%0.127CC..THydrogen-bonded Turntrans-61.4146.2178.357.10000111.8
390G65.7Low79.3Confident44 Ų4420.2 Ų20.245%0.45413%0.127SC..THydrogen-bonded Turntrans106.2-12.1169.600000115.6K373K373-G390 WeakPolarHBondContact CE-O 3.43Å; K373-G390 PolarHBondContact NZ-O 2.65Å
391I66.1Low79.3Confident5 Ų520.2 Ų20.23%0.02613%0.127CC..  trans-119.5124.1167.2-63.2176.6000108.5L206 F208 I369 I372 K373 F382 I393L206-I391 HydrophobicContact CD2-CG1 4.49Å; L206-I391 HydrophobicContact CD2-CG2 4.48Å; F208-I391 HydrophobicContact CZ-CD1 4.47Å; I369-I391 HydrophobicContact CD1-CB 4.46Å; I369-I391 HydrophobicContact CD1-CD1 3.43Å; I369-I391 VanDerWaalsContact CD1-CD1 3.43Å; I369-I391 HydrophobicContact CD1-CG1 3.82Å; I369-I391 HydrophobicContact CG2-CD1 4.03Å; I369-I391 HydrophobicContact CG2-CG1 3.75Å; I372-I391 HydrophobicContact CB-CD1 4.1Å; I372-I391 HydrophobicContact CG2-CD1 3.37Å; K373-I391 HydrophobicContact CG-CD1 4.42Å; K373-I391 HydrophobicContact CG-CG1 4.28Å; F382-I391 HydrophobicContact CE1-CD1 4.4Å; F382-I391 HydrophobicContact CZ-CD1 4.38Å; I391-I393 HydrophobicContact CG2-CG1 4.16Å; I391-I393 PolarHBondContact O-N 3.29Å
392N65Low79.3Confident52 Ų5220.2 Ų20.228%0.27813%0.127SC..  trans-80.195.8169-172.9-3.7000108.3C394 S395 S396N392-C394 VanDerWaalsContact C-N 3.29Å; N392-C394 PolarHBondContact O-N 2.96Å; N392-C394 WeakPolarHBondContact OD1-CB 3.24Å; N392-C394 PolarHBondContact OD1-N 3.29Å; N392-S395 WeakPolarHBondContact CB-OG 3.15Å; N392-S395 VanDerWaalsContact CG-OG 3.3Å; N392-S395 PolarHBondContact ND2-OG 3.42Å; N392-S395 PolarHBondContact O-N 2.91Å; N392-S395 PolarHBondContact O-OG 2.84Å; N392-S395 VanDerWaalsContact O-OG 3.13Å; N392-S396 WeakPolarHBondContact O-CB 3.32Å; N392-S396 PolarHBondContact O-N 3.17Å; N392-S396 PolarHBondContact O-OG 3.25Å
393I63.2Low79.5Confident3 Ų321 Ų212%0.01513%0.132CC..G310 helixtrans-64.5-36.4-177-58.6-147.7000111.9F382 I391 S395 S396 I398 Y400 T431F382-I393 HydrophobicContact CE1-CD1 3.74Å; F382-I393 HydrophobicContact CE2-CD1 4.35Å; F382-I393 HydrophobicContact CZ-CD1 3.42Å; F382-I393 VanDerWaalsContact CZ-CD1 3.42Å; F382-I393 HydrophobicContact CZ-CG1 4.3Å; I391-I393 HydrophobicContact CG2-CG1 4.16Å; I391-I393 PolarHBondContact O-N 3.29Å; I393-S395 PolarHBondContact O-N 3.45Å; I393-S396 VanDerWaalsContact CA-OG 3.26Å; I393-S396 WeakPolarHBondContact CA-OG 3.23Å; I393-S396 PolarHBondContact O-N 2.91Å; I393-S396 PolarHBondContact O-OG 2.65Å; I393-I398 HydrophobicContact CD1-CG2 4.34Å; I393-I398 HydrophobicContact CG1-CG2 4.42Å; I393-I398 HydrophobicContact CG2-CG2 4Å; I393-I398 WeakPolarHBondContact CG2-O 3.37Å; I393-Y400 HydrophobicContact CB-CE2 4.4Å; I393-Y400 HydrophobicContact CD1-CD1 4.01Å; I393-Y400 HydrophobicContact CD1-CD2 3.32Å; I393-Y400 HydrophobicContact CD1-CE1 3.84Å; I393-Y400 HydrophobicContact CD1-CE2 3.05Å; I393-Y400 HydrophobicContact CD1-CG 3.76Å; I393-Y400 HydrophobicContact CG1-CD2 4.31Å; I393-Y400 HydrophobicContact CG1-CE2 3.69Å; I393-T431 HydrophobicContact CB-CG2 4.33Å
394C57.8Low79.3Confident65 Ų6520.8 Ų20.844%0.43913%0.132SC..G310 helixtrans-54.8-30.8-178.3-590000112.7N392 T431 S432N392-C394 VanDerWaalsContact C-N 3.29Å; N392-C394 PolarHBondContact O-N 2.96Å; N392-C394 WeakPolarHBondContact OD1-CB 3.24Å; N392-C394 PolarHBondContact OD1-N 3.29Å; C394-T431 VanDerWaalsContact SG-CA 3.54Å; C394-S432 PolarHBondContact SG-N 3.3Å
395S57.8Low79.2Confident25 Ų2520.9 Ų20.918%0.17513%0.132CC..G310 helixtrans-101.6-5.5-179.254.20000115.3E205 N392 I393E205-S395 WeakPolarHBondContact OE1-CB 3.38Å; N392-S395 WeakPolarHBondContact CB-OG 3.15Å; N392-S395 VanDerWaalsContact CG-OG 3.3Å; N392-S395 PolarHBondContact ND2-OG 3.42Å; N392-S395 PolarHBondContact O-N 2.91Å; N392-S395 PolarHBondContact O-OG 2.84Å; N392-S395 VanDerWaalsContact O-OG 3.13Å; I393-S395 PolarHBondContact O-N 3.45Å
396S64.3Low79.3Confident1 Ų121.8 Ų21.81%0.00714%0.136CC..SBendtrans-113.720.4-165.954.40000115.1L206 F208 N392 I393 I398L206-S396 WeakPolarHBondContact O-CA 3.41Å; L206-S396 WeakPolarHBondContact O-CB 3.47Å; F208-S396 WeakPolarHBondContact CD2-O 3.48Å; N392-S396 WeakPolarHBondContact O-CB 3.32Å; N392-S396 PolarHBondContact O-N 3.17Å; N392-S396 PolarHBondContact O-OG 3.25Å; I393-S396 VanDerWaalsContact CA-OG 3.26Å; I393-S396 WeakPolarHBondContact CA-OG 3.23Å; I393-S396 PolarHBondContact O-N 2.91Å; I393-S396 PolarHBondContact O-OG 2.65Å; S396-I398 WeakPolarHBondContact O-CB 3.46Å; S396-I398 PolarHBondContact O-N 2.8Å; S396-I398 WeakPolarHBondContact OG-CG2 3.17Å
397N80.6Confident79.2Confident46 Ų4621.3 Ų21.325%0.24614%0.136CC..SBendtrans47.714.7174.571.1-64.5000116.9F208F208-N397 PolarHBondContact N-OD1 3.18Å; F208-N397 PolarHBondContact O-ND2 2.84Å; F208-N397 PolarHBondContact O-OD1 2.88Å
398I87.9Confident79.2Confident4 Ų424.9 Ų24.92%0.02116%0.157CC..  trans-109.4165.9-176.9-167.3165.6000109.3F208 L213 I379 F382 I393 S396F208-I398 HydrophobicContact CD1-CD1 3.74Å; F208-I398 HydrophobicContact CD2-CB 4.07Å; F208-I398 HydrophobicContact CD2-CD1 4.28Å; F208-I398 HydrophobicContact CD2-CG2 4.14Å; F208-I398 HydrophobicContact CE1-CD1 3.51Å; F208-I398 HydrophobicContact CE2-CB 4.22Å; F208-I398 HydrophobicContact CE2-CD1 4.03Å; F208-I398 HydrophobicContact CE2-CG2 3.89Å; F208-I398 HydrophobicContact CG-CB 4.31Å; F208-I398 HydrophobicContact CG-CD1 4.12Å; F208-I398 HydrophobicContact CZ-CD1 3.64Å; F208-I398 HydrophobicContact CZ-CG2 4.44Å; L213-I398 HydrophobicContact CD2-CG1 4.44Å; I379-I398 HydrophobicContact CB-CD1 4.47Å; I379-I398 HydrophobicContact CG2-CD1 3.51Å; F382-I398 HydrophobicContact CD1-CD1 3.87Å; F382-I398 HydrophobicContact CD1-CG1 4.37Å; F382-I398 HydrophobicContact CE1-CD1 3.99Å; F382-I398 HydrophobicContact CE1-CG1 4.36Å; F382-I398 HydrophobicContact CE1-CG2 4.38Å; I393-I398 HydrophobicContact CD1-CG2 4.34Å; I393-I398 HydrophobicContact CG1-CG2 4.42Å; I393-I398 HydrophobicContact CG2-CG2 4Å; I393-I398 WeakPolarHBondContact CG2-O 3.37Å; S396-I398 WeakPolarHBondContact O-CB 3.46Å; S396-I398 PolarHBondContact O-N 2.8Å; S396-I398 WeakPolarHBondContact OG-CG2 3.17Å
399S90.1Very high79.2Confident4 Ų428.9 Ų28.93%0.02818%0.178CC..  trans-132147.3-179.9-59.50000112.1F382 W401 S435F382-S399 PolarHBondContact N-O 3.29Å; S399-W401 VanDerWaalsContact O-CD1 3.27Å; S399-S435 CarbonylContact C-O 3.55Å; S399-S435 VanDerWaalsContact CA-O 3.28Å; S399-S435 WeakPolarHBondContact CA-O 3.29Å
400Y92.3Very high79.6Confident0 Ų032 Ų320%019%0.188CC..EExtended strand (participates in β ladder)trans-72.1135.5160.1-71.6-72.3000109.6F382 A384 I388 I393 F428 T431 S435 I436 V437F382-Y400 AromaticContact CD2-CD1 3.92Å; F382-Y400 HydrophobicContact CD2-CD1 3.92Å; F382-Y400 AromaticContact CD2-CE1 3.97Å; F382-Y400 HydrophobicContact CD2-CE1 3.97Å; F382-Y400 AromaticContact CE2-CD1 3.5Å; F382-Y400 HydrophobicContact CE2-CD1 3.5Å; F382-Y400 VanDerWaalsContact CE2-CD1 3.5Å; F382-Y400 AromaticContact CE2-CE1 3.14Å; F382-Y400 HydrophobicContact CE2-CE1 3.14Å; F382-Y400 AromaticContact CE2-CZ 3.99Å; F382-Y400 HydrophobicContact CZ-CD1 4Å; F382-Y400 AromaticContact CZ-CE1 3.63Å; F382-Y400 HydrophobicContact CZ-CE1 3.63Å; F382-Y400 WeakPolarHBondContact O-CA 3.29Å; A384-Y400 HydrophobicContact CB-CD1 3.83Å; A384-Y400 HydrophobicContact CB-CE1 4.16Å; I388-Y400 HydrophobicContact CG1-CE1 4.39Å; I388-Y400 PolarHBondContact N-OH 3.11Å; I388-Y400 PolarHBondContact O-OH 3.05Å; I393-Y400 HydrophobicContact CB-CE2 4.4Å; I393-Y400 HydrophobicContact CD1-CD1 4.01Å; I393-Y400 HydrophobicContact CD1-CD2 3.32Å; I393-Y400 HydrophobicContact CD1-CE1 3.84Å; I393-Y400 HydrophobicContact CD1-CE2 3.05Å; I393-Y400 HydrophobicContact CD1-CG 3.76Å; I393-Y400 HydrophobicContact CG1-CD2 4.31Å; I393-Y400 HydrophobicContact CG1-CE2 3.69Å; Y400-F428 AromaticContact CD1-CE1 3.94Å; Y400-F428 HydrophobicContact CD1-CE1 3.94Å; Y400-F428 AromaticContact CD2-CD1 3.52Å; Y400-F428 HydrophobicContact CD2-CD1 3.52Å; Y400-F428 AromaticContact CD2-CE1 3.38Å; Y400-F428 HydrophobicContact CD2-CE1 3.38Å; Y400-F428 HydrophobicContact CE1-CE1 4.22Å; Y400-F428 AromaticContact CE2-CD1 3.86Å; Y400-F428 HydrophobicContact CE2-CD1 3.86Å; Y400-F428 AromaticContact CE2-CE1 3.78Å; Y400-F428 HydrophobicContact CE2-CE1 3.78Å; Y400-F428 HydrophobicContact CG-CD1 4.11Å; Y400-F428 AromaticContact CG-CE1 3.51Å; Y400-F428 HydrophobicContact CG-CE1 3.51Å; Y400-F428 HydrophobicContact CG-CZ 4.3Å; Y400-T431 HydrophobicContact CE2-CG2 4.15Å; Y400-S435 PolarHBondContact N-O 2.95Å; Y400-I436 CarbonylContact O-C 3.37Å; Y400-I436 WeakPolarHBondContact O-CA 3.34Å; Y400-V437 PolarHBondContact O-N 3.31Å
401W95.8Very high80.2Confident0 Ų034.3 Ų34.30%019%0.19CC..EExtended strand (participates in β ladder)trans-107.7106.4173.9-69.770.7000108.6L216 C228 A252 I285 M314 L348 F382 V383 A384 S399 P403 V437 I439L216-W401 HydrophobicContact CD1-CH2 4.28Å; L216-W401 HydrophobicContact CD1-CZ2 4.26Å; L216-W401 HydrophobicContact CD2-CZ2 3.74Å; C228-W401 HydrophobicContact CB-CE3 4.12Å; C228-W401 HydrophobicContact CB-CZ3 3.67Å; A252-W401 HydrophobicContact CB-CH2 3.85Å; A252-W401 HydrophobicContact CB-CZ3 3.93Å; I285-W401 HydrophobicContact CD1-CE3 4Å; I285-W401 HydrophobicContact CD1-CH2 3.36Å; I285-W401 HydrophobicContact CD1-CZ2 4.21Å; I285-W401 HydrophobicContact CD1-CZ3 3.21Å; M314-W401 HydrophobicContact SD-CZ2 4.12Å; L348-W401 HydrophobicContact CD1-CB 4.24Å; L348-W401 HydrophobicContact CD1-CD2 3.88Å; L348-W401 HydrophobicContact CD1-CG 3.56Å; L348-W401 HydrophobicContact CD2-CB 4.37Å; L348-W401 HydrophobicContact CD2-CD2 4.04Å; L348-W401 HydrophobicContact CD2-CE3 4.24Å; L348-W401 HydrophobicContact CD2-CG 4.1Å; L348-W401 HydrophobicContact CG-CG 4.44Å; F382-W401 PolarHBondContact O-N 2.96Å; V383-W401 WeakPolarHBondContact CA-O 3.31Å; V383-W401 WeakPolarHBondContact CG1-O 3.36Å; V383-W401 HydrophobicContact CG2-CB 4.23Å; A384-W401 PolarHBondContact N-O 3.05Å; A384-W401 VanDerWaalsContact N-O 3.17Å; S399-W401 VanDerWaalsContact O-CD1 3.27Å; W401-P403 VanDerWaalsContact O-CD 3.3Å; W401-P403 WeakPolarHBondContact O-CD 3.43Å; W401-V437 CarbonylContact C-O 3.47Å; W401-V437 WeakPolarHBondContact CA-O 3.42Å; W401-V437 HydrophobicContact CD2-CB 3.91Å; W401-V437 HydrophobicContact CD2-CG1 4.06Å; W401-V437 HydrophobicContact CD2-CG2 4.45Å; W401-V437 HydrophobicContact CE3-CB 3.94Å; W401-V437 HydrophobicContact CE3-CG1 3.56Å; W401-V437 HydrophobicContact CG-CB 4.37Å; W401-V437 HydrophobicContact CH2-CG1 4.01Å; W401-V437 HydrophobicContact CZ2-CG1 4.49Å; W401-V437 HydrophobicContact CZ2-CG2 4.3Å; W401-V437 HydrophobicContact CZ3-CB 4.26Å; W401-V437 HydrophobicContact CZ3-CG1 3.53Å; W401-I439 HydrophobicContact CB-CD1 3.91Å; W401-I439 HydrophobicContact CB-CG1 4.47Å; W401-I439 HydrophobicContact CE3-CD1 4.24Å; W401-I439 HydrophobicContact CE3-CG1 4.11Å
402V95.1Very high80.9Confident0 Ų035.2 Ų35.20%020%0.195CC..EExtended strand (participates in β ladder)trans-99.4109.7-166.4-171.60000110.1A384 V405 V424 F428 I436 V437 I439A384-V402 WeakPolarHBondContact O-CA 3.31Å; V402-V405 HydrophobicContact CG1-CG2 4.48Å; V402-V424 HydrophobicContact CB-CG1 4.11Å; V402-V424 HydrophobicContact CG1-CG1 3.85Å; V402-V424 HydrophobicContact CG1-CG2 4.01Å; V402-V424 HydrophobicContact CG2-CG1 4.07Å; V402-F428 HydrophobicContact CG1-CE2 4.23Å; V402-F428 HydrophobicContact CG2-CD2 4.29Å; V402-F428 HydrophobicContact CG2-CE2 3.53Å; V402-F428 HydrophobicContact CG2-CZ 3.73Å; V402-I436 HydrophobicContact CG2-CB 4.43Å; V402-I436 HydrophobicContact CG2-CG2 4.47Å; V402-V437 PolarHBondContact N-O 3.18Å; V402-I439 PolarHBondContact O-N 2.86Å
403P95.2Very high81.6Confident17 Ų1741 Ų4111%0.1123%0.225CC..  trans-84.3173.2179.237-34.9000112.3V383 Q385 W401V383-P403 HydrophobicContact CG1-CB 4.36Å; V383-P403 HydrophobicContact CG1-CG 3.63Å; Q385-P403 PolarHBondContact OE1-O 3.41Å; W401-P403 VanDerWaalsContact O-CD 3.3Å; W401-P403 WeakPolarHBondContact O-CD 3.43Å
404G91.6Very high82.5Confident6 Ų648.3 Ų48.36%0.06226%0.264CS..  trans65.35017500000112.3Y418 N419G404-Y418 CarbonylContact O-C 3.5Å; G404-Y418 VanDerWaalsContact O-CA 3.23Å; G404-Y418 WeakPolarHBondContact O-CA 3.44Å; G404-N419 PolarHBondContact O-N 2.84Å
405V92Very high83.6Confident1 Ų145.9 Ų45.91%0.00625%0.25CC..BIsolated β-bridgetrans-107.2128.6176.2-176.60000110.1V402 N419 P421 V424 M438 V440 Y457V402-V405 HydrophobicContact CG1-CG2 4.48Å; V405-N419 WeakPolarHBondContact CA-O 3.21Å; V405-P421 HydrophobicContact CG1-CG 3.9Å; V405-V424 HydrophobicContact CG2-CG2 3.92Å; V405-M438 HydrophobicContact CG1-SD 4.29Å; V405-M438 HydrophobicContact CG2-CB 4.32Å; V405-V440 HydrophobicContact CB-CG2 3.98Å; V405-V440 HydrophobicContact CG1-CG2 4.12Å; V405-Y457 HydrophobicContact CG1-CD1 4.39Å; V405-Y457 HydrophobicContact CG1-CE1 4.2Å
406K91.3Very high85Confident30 Ų3046.5 Ų46.513%0.1325%0.25CS..  trans-141.5154.7169.8-82.6-173.6174.6-166.10109.6V408 F410 Y418 N419 T420 Y457K406-V408 WeakPolarHBondContact CB-O 3.37Å; K406-V408 PolarHBondContact O-N 3.22Å; K406-F410 HydrophobicContact CD-CB 4.46Å; K406-Y418 HydrophobicContact CB-CD1 4.12Å; K406-Y418 HydrophobicContact CB-CG 4.25Å; K406-Y418 HydrophobicContact CD-CD1 3.83Å; K406-Y418 HydrophobicContact CD-CD2 4.08Å; K406-Y418 HydrophobicContact CD-CE1 4.12Å; K406-Y418 HydrophobicContact CD-CE2 4.34Å; K406-Y418 HydrophobicContact CD-CG 3.8Å; K406-Y418 HydrophobicContact CG-CD1 3.52Å; K406-Y418 HydrophobicContact CG-CE1 3.98Å; K406-Y418 HydrophobicContact CG-CG 3.9Å; K406-N419 PolarHBondContact N-O 3.41Å; K406-N419 VanDerWaalsContact N-O 3.08Å; K406-N419 VanDerWaalsContact O-O 3.13Å; K406-T420 VanDerWaalsContact O-CA 3.26Å; K406-T420 WeakPolarHBondContact O-CA 3.38Å; K406-Y457 VanDerWaalsContact CA-OH 3.29Å; K406-Y457 WeakPolarHBondContact CA-OH 3.42Å
407L84.2Confident86Confident76 Ų7649.4 Ų49.440%0.39826%0.263SS..SBendtrans-62-23.2176.2-70.4177.7000113.3T420 P421 E453 Y457L407-T420 WeakPolarHBondContact O-CG2 3.47Å; L407-P421 HydrophobicContact CD2-CG 4.31Å; L407-E453 WeakPolarHBondContact CD1-OE2 3.32Å; L407-Y457 HydrophobicContact CD2-CD1 4.47Å; L407-Y457 HydrophobicContact CD2-CE1 4.1Å; L407-Y457 HydrophobicContact CG-CE1 3.97Å; L407-Y457 HydrophobicContact CG-CE2 4.18Å; L407-Y457 PolarHBondContact N-OH 3.45Å
408V80.9Confident86.4Confident108 Ų10848.2 Ų48.266%0.65526%0.255SS*.SBendtrans-123.2141.3177.2-172.30000109.2K406 F410K406-V408 WeakPolarHBondContact CB-O 3.37Å; K406-V408 PolarHBondContact O-N 3.22Å; V408-F410 PolarHBondContact O-N 2.92Å
409N75.4Confident86.4Confident86 Ų8649.8 Ų49.846%0.4626%0.264SS..  trans-61.6127.8172.2-68.5-22.9000109.8T420 Q423N409-T420 WeakPolarHBondContact OD1-CG2 3.48Å; N409-Q423 PolarHBondContact ND2-NE2 3.28Å; N409-Q423 PolarHBondContact OD1-OE1 2.75Å
410F79.6Confident86.4Confident99 Ų9950.7 Ų50.743%0.43427%0.269SS..EExtended strand (participates in β ladder)trans-150.7141.1-176.8-176.4-105.1000108.9K406 V408 D412 Y418K406-F410 HydrophobicContact CD-CB 4.46Å; V408-F410 PolarHBondContact O-N 2.92Å; F410-D412 HydrophobicContact CE1-CB 3.8Å; F410-Y418 HydrophobicContact CB-CD2 4.21Å; F410-Y418 AromaticContact CD1-CD2 3.84Å; F410-Y418 HydrophobicContact CD1-CD2 3.84Å; F410-Y418 HydrophobicContact CD1-CE2 4.08Å; F410-Y418 VanDerWaalsContact O-CB 3.26Å; F410-Y418 WeakPolarHBondContact O-CB 3.22Å; F410-Y418 VanDerWaalsContact O-CD2 3.29Å; F410-Y418 WeakPolarHBondContact O-CD2 3.4Å; F410-Y418 PolarHBondContact O-N 3.41Å
411N77.3Confident86.4Confident92 Ų9251 Ų5149%0.49227%0.271SS..EExtended strand (participates in β ladder)trans-118.7135.7166.5-71.1-10.2000106.8Q416 H417N411-Q416 WeakPolarHBondContact CA-O 3.39Å; N411-H417 PolarHBondContact ND2-CD2 3.25Å; N411-H417 PolarHBondContact ND2-NE2 2.98Å; N411-H417 WeakPolarHBondContact OD1-CA 3.21Å; N411-H417 PolarHBondContact OD1-CD2 3.05Å
412D81.8Confident86Confident25 Ų2558 Ų5813%0.13430%0.304CS..  trans-93.2172.7175.280-1.7000112.5F410 L414 G415 Q416 R442F410-D412 HydrophobicContact CE1-CB 3.8Å; D412-L414 PolarHBondContact O-N 3.5Å; D412-L414 VanDerWaalsContact OD1-C 3.23Å; D412-L414 WeakPolarHBondContact OD1-CA 3.33Å; D412-L414 PolarHBondContact OD1-N 3.4Å; D412-G415 PolarHBondContact O-N 3.25Å; D412-G415 PolarHBondContact OD1-N 2.9Å; D412-Q416 VanDerWaalsContact CG-CB 3.47Å; D412-Q416 PolarHBondContact N-O 2.81Å; D412-Q416 VanDerWaalsContact N-O 3.13Å; D412-Q416 VanDerWaalsContact OD1-CB 3.27Å; D412-Q416 WeakPolarHBondContact OD1-CB 3.33Å; D412-Q416 PolarHBondContact OD1-N 3.39Å; D412-Q416 WeakPolarHBondContact OD2-CB 3.45Å; D412-R442 IonicContact OD2-CZ 3.88Å; D412-R442 IonicContact OD2-NH1 3.57Å; D412-R442 PolarHBondContact OD2-NH1 2.66Å; D412-R442 IonicContact OD2-NH2 3.81Å; D412-R442 PolarHBondContact OD2-NH2 3.04Å
413D79.5Confident85.7Confident172 Ų17261.3 Ų61.392%0.9232%0.32SS*.THydrogen-bonded Turntrans-69.5-10.2180-59.2-35.2000113.5
414L82.3Confident85.4Confident158 Ų15860.5 Ų60.583%0.82731%0.314SS*.THydrogen-bonded Turntrans-106.613.4-178.7-62.8178000112.4D412D412-L414 PolarHBondContact O-N 3.5Å; D412-L414 VanDerWaalsContact OD1-C 3.23Å; D412-L414 WeakPolarHBondContact OD1-CA 3.33Å; D412-L414 PolarHBondContact OD1-N 3.4Å
415G81.2Confident85.1Confident14 Ų1462.6 Ų62.614%0.14432%0.322CS..SBendtrans83.87.5173.100000115C355 Q356 D412 H417C355-G415 CarbonylContact C-O 3.5Å; C355-G415 WeakPolarHBondContact CA-O 3.46Å; Q356-G415 PolarHBondContact N-O 3.18Å; D412-G415 PolarHBondContact O-N 3.25Å; D412-G415 PolarHBondContact OD1-N 2.9Å; G415-H417 PolarHBondContact O-N 3.38Å; G415-H417 PolarHBondContact O-ND1 2.91Å
416Q86.4Confident84.7Confident38 Ų3870.1 Ų70.118%0.17835%0.354CS..BIsolated β-bridgetrans-72.7124.7175.6-176.261.522.400110.6S354 N411 D412 Y418S354-Q416 VanDerWaalsContact CB-NE2 3.32Å; S354-Q416 PolarHBondContact OG-NE2 3.13Å; S354-Q416 PolarHBondContact OG-OE1 3.4Å; N411-Q416 WeakPolarHBondContact CA-O 3.39Å; D412-Q416 VanDerWaalsContact CG-CB 3.47Å; D412-Q416 PolarHBondContact N-O 2.81Å; D412-Q416 VanDerWaalsContact N-O 3.13Å; D412-Q416 VanDerWaalsContact OD1-CB 3.27Å; D412-Q416 WeakPolarHBondContact OD1-CB 3.33Å; D412-Q416 PolarHBondContact OD1-N 3.39Å; D412-Q416 WeakPolarHBondContact OD2-CB 3.45Å; Q416-Y418 HydrophobicContact CB-CE2 4.12Å; Q416-Y418 HydrophobicContact CG-CD2 4.16Å; Q416-Y418 HydrophobicContact CG-CE1 4.19Å; Q416-Y418 HydrophobicContact CG-CE2 3.44Å; Q416-Y418 VanDerWaalsContact CG-CE2 3.44Å; Q416-Y418 VanDerWaalsContact CG-CZ 3.46Å; Q416-Y418 WeakPolarHBondContact CG-OH 3.3Å
417H85.7Confident84.3Confident62 Ų6271.4 Ų71.429%0.28736%0.359SS..EExtended strand (participates in β ladder)trans-101.7133.1177.5-71.358000111.2S354 N411 G415S354-H417 PolarHBondContact O-N 3.35Å; S354-H417 VanDerWaalsContact O-N 3.13Å; N411-H417 PolarHBondContact ND2-CD2 3.25Å; N411-H417 PolarHBondContact ND2-NE2 2.98Å; N411-H417 WeakPolarHBondContact OD1-CA 3.21Å; N411-H417 PolarHBondContact OD1-CD2 3.05Å; G415-H417 PolarHBondContact O-N 3.38Å; G415-H417 PolarHBondContact O-ND1 2.91Å
418Y88.7Confident84.1Confident20 Ų2067.9 Ų67.98%0.07834%0.34CS..EExtended strand (participates in β ladder)trans-114.2134.6178.1-64.7-83.8000112.6G404 K406 F410 Q416 R442G404-Y418 CarbonylContact O-C 3.5Å; G404-Y418 VanDerWaalsContact O-CA 3.23Å; G404-Y418 WeakPolarHBondContact O-CA 3.44Å; K406-Y418 HydrophobicContact CB-CD1 4.12Å; K406-Y418 HydrophobicContact CB-CG 4.25Å; K406-Y418 HydrophobicContact CD-CD1 3.83Å; K406-Y418 HydrophobicContact CD-CD2 4.08Å; K406-Y418 HydrophobicContact CD-CE1 4.12Å; K406-Y418 HydrophobicContact CD-CE2 4.34Å; K406-Y418 HydrophobicContact CD-CG 3.8Å; K406-Y418 HydrophobicContact CG-CD1 3.52Å; K406-Y418 HydrophobicContact CG-CE1 3.98Å; K406-Y418 HydrophobicContact CG-CG 3.9Å; F410-Y418 HydrophobicContact CB-CD2 4.21Å; F410-Y418 AromaticContact CD1-CD2 3.84Å; F410-Y418 HydrophobicContact CD1-CD2 3.84Å; F410-Y418 HydrophobicContact CD1-CE2 4.08Å; F410-Y418 VanDerWaalsContact O-CB 3.26Å; F410-Y418 WeakPolarHBondContact O-CB 3.22Å; F410-Y418 VanDerWaalsContact O-CD2 3.29Å; F410-Y418 WeakPolarHBondContact O-CD2 3.4Å; F410-Y418 PolarHBondContact O-N 3.41Å; Q416-Y418 HydrophobicContact CB-CE2 4.12Å; Q416-Y418 HydrophobicContact CG-CD2 4.16Å; Q416-Y418 HydrophobicContact CG-CE1 4.19Å; Q416-Y418 HydrophobicContact CG-CE2 3.44Å; Q416-Y418 VanDerWaalsContact CG-CE2 3.44Å; Q416-Y418 VanDerWaalsContact CG-CZ 3.46Å; Q416-Y418 WeakPolarHBondContact CG-OH 3.3Å; Y418-R442 PolarHBondContact OH-NE 3.36Å; Y418-R442 VanDerWaalsContact OH-NE 3.09Å; Y418-R442 PolarHBondContact OH-NH2 3.32Å
419N88.2Confident83.2Confident37 Ų3767.7 Ų67.720%0.19834%0.339CS..BIsolated β-bridgetrans-117.4153.5174.8-62.7-88.3000110.8G404 V405 K406 Q423 V424G404-N419 PolarHBondContact O-N 2.84Å; V405-N419 WeakPolarHBondContact CA-O 3.21Å; K406-N419 PolarHBondContact N-O 3.41Å; K406-N419 VanDerWaalsContact N-O 3.08Å; K406-N419 VanDerWaalsContact O-O 3.13Å; N419-Q423 HydrophobicContact CB-CB 4.39Å; N419-V424 HydrophobicContact CB-CG2 4.25Å
420T90.6Very high82.2Confident23 Ų2366.3 Ų66.314%0.14133%0.334CS..  trans-73.1153.3174.574.10000112.5K406 L407 N409 E422 Q423 V424K406-T420 VanDerWaalsContact O-CA 3.26Å; K406-T420 WeakPolarHBondContact O-CA 3.38Å; L407-T420 WeakPolarHBondContact O-CG2 3.47Å; N409-T420 WeakPolarHBondContact OD1-CG2 3.48Å; T420-E422 PolarHBondContact O-N 3.4Å; T420-Q423 PolarHBondContact O-N 3.15Å; T420-Q423 VanDerWaalsContact O-N 3.09Å; T420-Q423 WeakPolarHBondContact OG1-CG 3.26Å; T420-Q423 PolarHBondContact OG1-N 3.19Å; T420-V424 WeakPolarHBondContact O-CG2 3.41Å; T420-V424 PolarHBondContact O-N 3.5Å
421P90.9Very high80.8Confident7 Ų761.9 Ų61.95%0.04532%0.315CS..Hα-helixtrans-52.3-36.6171.7-29.636.6000113.3V405 L407 V424 K425 M438 Y457 A460V405-P421 HydrophobicContact CG1-CG 3.9Å; L407-P421 HydrophobicContact CD2-CG 4.31Å; P421-V424 PolarHBondContact O-N 2.84Å; P421-K425 WeakPolarHBondContact O-CB 3.33Å; P421-K425 WeakPolarHBondContact O-CE 3.28Å; P421-K425 WeakPolarHBondContact O-CG 3.4Å; P421-K425 PolarHBondContact O-N 3.31Å; P421-M438 HydrophobicContact CB-CE 3.93Å; P421-M438 HydrophobicContact CB-SD 3.84Å; P421-M438 HydrophobicContact CG-SD 4.32Å; P421-Y457 HydrophobicContact CG-CD1 4.14Å; P421-Y457 HydrophobicContact CG-CE1 4.29Å; P421-A460 HydrophobicContact CB-CB 3.72Å; P421-A460 HydrophobicContact CG-CB 3.94Å
422E89.1Confident79.5Confident148 Ų14859.9 Ų59.969%0.69231%0.308SS*.Hα-helixtrans-64.8-46.3176.3-171.4-172.5165.800111.9T420 V424 K425 K426T420-E422 PolarHBondContact O-N 3.4Å; E422-V424 VanDerWaalsContact C-N 3.35Å; E422-V424 PolarHBondContact O-N 3.43Å; E422-K425 PolarHBondContact O-N 2.88Å; E422-K426 WeakPolarHBondContact O-CB 3.37Å; E422-K426 PolarHBondContact O-N 3.42Å
423Q87.9Confident77.9Confident69 Ų6962.5 Ų62.532%0.32233%0.329SS..Hα-helixtrans-64.8-38.9176.5-72.3173.1-2900112.2N409 N419 T420 R427N409-Q423 PolarHBondContact ND2-NE2 3.28Å; N409-Q423 PolarHBondContact OD1-OE1 2.75Å; N419-Q423 HydrophobicContact CB-CB 4.39Å; T420-Q423 PolarHBondContact O-N 3.15Å; T420-Q423 VanDerWaalsContact O-N 3.09Å; T420-Q423 WeakPolarHBondContact OG1-CG 3.26Å; T420-Q423 PolarHBondContact OG1-N 3.19Å; Q423-R427 VanDerWaalsContact O-CG 3.32Å; Q423-R427 WeakPolarHBondContact O-CG 3.48Å; Q423-R427 PolarHBondContact O-N 3.48Å; Q423-R427 VanDerWaalsContact O-N 3.1Å; Q423-R427 PolarHBondContact O-NE 2.86Å
424V88.9Confident77Confident0 Ų056.8 Ų56.80%030%0.302CS..Hα-helixtrans-57.1-58.5171.6172.40000108.9V402 V405 N419 T420 P421 E422 K426 R427 F428 I436 M438V402-V424 HydrophobicContact CB-CG1 4.11Å; V402-V424 HydrophobicContact CG1-CG1 3.85Å; V402-V424 HydrophobicContact CG1-CG2 4.01Å; V402-V424 HydrophobicContact CG2-CG1 4.07Å; V405-V424 HydrophobicContact CG2-CG2 3.92Å; N419-V424 HydrophobicContact CB-CG2 4.25Å; T420-V424 WeakPolarHBondContact O-CG2 3.41Å; T420-V424 PolarHBondContact O-N 3.5Å; P421-V424 PolarHBondContact O-N 2.84Å; E422-V424 VanDerWaalsContact C-N 3.35Å; E422-V424 PolarHBondContact O-N 3.43Å; V424-K426 VanDerWaalsContact C-N 3.29Å; V424-K426 PolarHBondContact O-N 3.36Å; V424-R427 WeakPolarHBondContact O-CB 3.47Å; V424-R427 PolarHBondContact O-N 2.67Å; V424-F428 HydrophobicContact CG1-CD2 3.97Å; V424-F428 HydrophobicContact CG1-CE2 4.12Å; V424-F428 WeakPolarHBondContact O-CD2 3.22Å; V424-F428 PolarHBondContact O-N 3.04Å; V424-I436 HydrophobicContact CG1-CD1 3.86Å; V424-M438 HydrophobicContact CB-CE 4.33Å; V424-M438 HydrophobicContact CG1-CE 4.14Å
425K86.1Confident76.8Confident50 Ų5049.5 Ų49.522%0.21726%0.264CS..Hα-helixtrans-55.8-43.2-179.2-73.9178-68.8-174.40112.6P421 E422 R427 F428 T429 I436 M438 A460 Q463P421-K425 WeakPolarHBondContact O-CB 3.33Å; P421-K425 WeakPolarHBondContact O-CE 3.28Å; P421-K425 WeakPolarHBondContact O-CG 3.4Å; P421-K425 PolarHBondContact O-N 3.31Å; E422-K425 PolarHBondContact O-N 2.88Å; K425-R427 VanDerWaalsContact C-N 3.28Å; K425-R427 PolarHBondContact O-N 3.26Å; K425-F428 CarbonylContact O-C 3.56Å; K425-F428 PolarHBondContact O-N 3.36Å; K425-T429 WeakPolarHBondContact O-CG2 3.44Å; K425-T429 PolarHBondContact O-N 2.68Å; K425-I436 HydrophobicContact CG-CD1 3.98Å; K425-M438 HydrophobicContact CD-CE 4.12Å; K425-M438 HydrophobicContact CG-CE 3.78Å; K425-A460 WeakPolarHBondContact CE-O 3.18Å; K425-A460 PolarHBondContact NZ-O 3.5Å; K425-Q463 WeakPolarHBondContact CD-OXT 3.27Å; K425-Q463 WeakPolarHBondContact CE-OXT 3.37Å; K425-Q463 PolarHBondContact NZ-OXT 2.98Å
426K83.5Confident77.2Confident159 Ų15948.9 Ų48.969%0.69126%0.258SS*.Hα-helixtrans-59.4-35.9177.3-170.9174.8-179.5176.60112.9E422 V424 F428 T429E422-K426 WeakPolarHBondContact O-CB 3.37Å; E422-K426 PolarHBondContact O-N 3.42Å; V424-K426 VanDerWaalsContact C-N 3.29Å; V424-K426 PolarHBondContact O-N 3.36Å; K426-F428 VanDerWaalsContact C-N 3.34Å; K426-T429 WeakPolarHBondContact O-CG2 3.2Å; K426-T429 PolarHBondContact O-OG1 3.36Å
427R82.6Confident77.6Confident57 Ų5747.1 Ų47.122%0.21525%0.249CC..Hα-helixtrans-70.8-29.1176.4-74.4-177.6-68.51642.4112.8Q385 H386 P387 Q423 V424 K425Q385-R427 VanDerWaalsContact O-CZ 3.32Å; Q385-R427 PolarHBondContact O-NH1 2.67Å; H386-R427 PolarHBondContact NE2-NH1 2.95Å; P387-R427 VanDerWaalsContact CG-O 3.26Å; P387-R427 WeakPolarHBondContact CG-O 3.4Å; Q423-R427 VanDerWaalsContact O-CG 3.32Å; Q423-R427 WeakPolarHBondContact O-CG 3.48Å; Q423-R427 PolarHBondContact O-N 3.48Å; Q423-R427 VanDerWaalsContact O-N 3.1Å; Q423-R427 PolarHBondContact O-NE 2.86Å; V424-R427 WeakPolarHBondContact O-CB 3.47Å; V424-R427 PolarHBondContact O-N 2.67Å; K425-R427 VanDerWaalsContact C-N 3.28Å; K425-R427 PolarHBondContact O-N 3.26Å
428F79.4Confident78.1Confident2 Ų244.2 Ų44.21%0.00924%0.236CC..THydrogen-bonded Turntrans-101.515.8-177.2-69-82.6000113.7P387 Y400 V402 V424 K425 K426 T430 T431 I436P387-F428 HydrophobicContact CB-CD1 4.45Å; P387-F428 HydrophobicContact CB-CE1 4.46Å; P387-F428 HydrophobicContact CG-CD1 3.71Å; P387-F428 HydrophobicContact CG-CE1 3.92Å; P387-F428 HydrophobicContact CG-CG 4.38Å; Y400-F428 AromaticContact CD1-CE1 3.94Å; Y400-F428 HydrophobicContact CD1-CE1 3.94Å; Y400-F428 AromaticContact CD2-CD1 3.52Å; Y400-F428 HydrophobicContact CD2-CD1 3.52Å; Y400-F428 AromaticContact CD2-CE1 3.38Å; Y400-F428 HydrophobicContact CD2-CE1 3.38Å; Y400-F428 HydrophobicContact CE1-CE1 4.22Å; Y400-F428 AromaticContact CE2-CD1 3.86Å; Y400-F428 HydrophobicContact CE2-CD1 3.86Å; Y400-F428 AromaticContact CE2-CE1 3.78Å; Y400-F428 HydrophobicContact CE2-CE1 3.78Å; Y400-F428 HydrophobicContact CG-CD1 4.11Å; Y400-F428 AromaticContact CG-CE1 3.51Å; Y400-F428 HydrophobicContact CG-CE1 3.51Å; Y400-F428 HydrophobicContact CG-CZ 4.3Å; V402-F428 HydrophobicContact CG1-CE2 4.23Å; V402-F428 HydrophobicContact CG2-CD2 4.29Å; V402-F428 HydrophobicContact CG2-CE2 3.53Å; V402-F428 HydrophobicContact CG2-CZ 3.73Å; V424-F428 HydrophobicContact CG1-CD2 3.97Å; V424-F428 HydrophobicContact CG1-CE2 4.12Å; V424-F428 WeakPolarHBondContact O-CD2 3.22Å; V424-F428 PolarHBondContact O-N 3.04Å; K425-F428 CarbonylContact O-C 3.56Å; K425-F428 PolarHBondContact O-N 3.36Å; K426-F428 VanDerWaalsContact C-N 3.34Å; F428-T430 VanDerWaalsContact C-N 3.26Å; F428-T430 PolarHBondContact O-N 2.91Å; F428-T430 VanDerWaalsContact O-N 3.17Å; F428-T431 CarbonylContact O-C 3.51Å; F428-T431 PolarHBondContact O-N 3.15Å; F428-T431 VanDerWaalsContact O-N 3.09Å; F428-T431 PolarHBondContact O-OG1 3.28Å; F428-I436 HydrophobicContact CB-CG2 3.8Å; F428-I436 HydrophobicContact CD1-CG2 3.94Å; F428-I436 HydrophobicContact CD2-CG2 3.94Å; F428-I436 HydrophobicContact CG-CG2 3.63Å
429T63.4Low78.6Confident103 Ų10343.8 Ų43.863%0.63224%0.235SC*.THydrogen-bonded Turntrans-61.9-23.5-174.548.30000115.9K425 K426 T431K425-T429 WeakPolarHBondContact O-CG2 3.44Å; K425-T429 PolarHBondContact O-N 2.68Å; K426-T429 WeakPolarHBondContact O-CG2 3.2Å; K426-T429 PolarHBondContact O-OG1 3.36Å; T429-T431 VanDerWaalsContact C-N 3.35Å; T429-T431 CarbonylContact C-O 3.25Å
430T54.2Low79Confident57 Ų5742 Ų4235%0.3523%0.226SC..THydrogen-bonded Turntrans-85.5-14.5179.853.70000112.6R133 F428R133-T430 WeakPolarHBondContact O-CG2 3.48Å; F428-T430 VanDerWaalsContact C-N 3.26Å; F428-T430 PolarHBondContact O-N 2.91Å; F428-T430 VanDerWaalsContact O-N 3.17Å
431T50.1Low79.2Confident6 Ų641.7 Ų41.74%0.03723%0.226CC..SBendtrans-92.1142.7157.351.50000107.4I393 C394 Y400 F428 T429 S433I393-T431 HydrophobicContact CB-CG2 4.33Å; C394-T431 VanDerWaalsContact SG-CA 3.54Å; Y400-T431 HydrophobicContact CE2-CG2 4.15Å; F428-T431 CarbonylContact O-C 3.51Å; F428-T431 PolarHBondContact O-N 3.15Å; F428-T431 VanDerWaalsContact O-N 3.09Å; F428-T431 PolarHBondContact O-OG1 3.28Å; T429-T431 VanDerWaalsContact C-N 3.35Å; T429-T431 CarbonylContact C-O 3.25Å; T431-S433 PolarHBondContact O-N 3.25Å
432S48.5Very low79.3Confident51 Ų5145 Ų4536%0.35724%0.238SC..  trans-50.6137.7170.844.70000109C394 S434 S435C394-S432 PolarHBondContact SG-N 3.3Å; S432-S434 WeakPolarHBondContact CB-OG 3.28Å; S432-S434 PolarHBondContact O-N 3.23Å; S432-S434 PolarHBondContact OG-OG 3.28Å; S432-S435 VanDerWaalsContact O-CB 3.28Å; S432-S435 WeakPolarHBondContact O-CB 3.46Å; S432-S435 PolarHBondContact O-N 2.71Å; S432-S435 PolarHBondContact O-OG 2.95Å; S432-S435 PolarHBondContact OG-OG 3.44Å
433S49.4Very low79.4Confident80 Ų8038.6 Ų38.656%0.55921%0.212SC*.G310 helixtrans-52.6-16.7176.951.30000113T431 S435T431-S433 PolarHBondContact O-N 3.25Å; S433-S435 PolarHBondContact O-N 3.21Å
434S60.2Low79.8Confident52 Ų5235.3 Ų35.336%0.36420%0.196SC..G310 helixtrans-63.2-10.4170.758.80000116R226 S432R226-S434 PolarHBondContact NE-O 3.47Å; R226-S434 VanDerWaalsContact NE-O 3.11Å; R226-S434 VanDerWaalsContact NH2-CA 3.33Å; R226-S434 PolarHBondContact NH2-O 3.24Å; S432-S434 WeakPolarHBondContact CB-OG 3.28Å; S432-S434 PolarHBondContact O-N 3.23Å; S432-S434 PolarHBondContact OG-OG 3.28Å
435S77.9Confident80.1Confident5 Ų536.8 Ų36.84%0.03521%0.205CC..G310 helixtrans-96.26.5-170.6-62.30000115.7S399 Y400 S432 S433S399-S435 CarbonylContact C-O 3.55Å; S399-S435 VanDerWaalsContact CA-O 3.28Å; S399-S435 WeakPolarHBondContact CA-O 3.29Å; Y400-S435 PolarHBondContact N-O 2.95Å; S432-S435 VanDerWaalsContact O-CB 3.28Å; S432-S435 WeakPolarHBondContact O-CB 3.46Å; S432-S435 PolarHBondContact O-N 2.71Å; S432-S435 PolarHBondContact O-OG 2.95Å; S432-S435 PolarHBondContact OG-OG 3.44Å; S433-S435 PolarHBondContact O-N 3.21Å
436I90.5Very high80.4Confident1 Ų140.5 Ų40.51%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-120.3149.4-177.567.3170.9000112.7R226 Y400 V402 V424 K425 F428 M438R226-I436 WeakPolarHBondContact CB-O 2.94Å; R226-I436 WeakPolarHBondContact CD-O 3.29Å; R226-I436 WeakPolarHBondContact CG-O 3.39Å; Y400-I436 CarbonylContact O-C 3.37Å; Y400-I436 WeakPolarHBondContact O-CA 3.34Å; V402-I436 HydrophobicContact CG2-CB 4.43Å; V402-I436 HydrophobicContact CG2-CG2 4.47Å; V424-I436 HydrophobicContact CG1-CD1 3.86Å; K425-I436 HydrophobicContact CG-CD1 3.98Å; F428-I436 HydrophobicContact CB-CG2 3.8Å; F428-I436 HydrophobicContact CD1-CG2 3.94Å; F428-I436 HydrophobicContact CD2-CG2 3.94Å; F428-I436 HydrophobicContact CG-CG2 3.63Å; I436-M438 HydrophobicContact CD1-CE 3.71Å
437V95.1Very high80.9Confident0 Ų034.7 Ų34.70%020%0.202CC..EExtended strand (participates in β ladder)trans-124.4123.5164.2176.70000107.1I220 R226 C228 Y400 W401 V402I220-V437 HydrophobicContact CD1-CG2 4.4Å; R226-V437 CarbonylContact O-C 3.43Å; R226-V437 WeakPolarHBondContact O-CA 3.39Å; R226-V437 WeakPolarHBondContact O-CG1 3.45Å; C228-V437 HydrophobicContact CB-CG1 3.75Å; Y400-V437 PolarHBondContact O-N 3.31Å; W401-V437 CarbonylContact C-O 3.47Å; W401-V437 WeakPolarHBondContact CA-O 3.42Å; W401-V437 HydrophobicContact CD2-CB 3.91Å; W401-V437 HydrophobicContact CD2-CG1 4.06Å; W401-V437 HydrophobicContact CD2-CG2 4.45Å; W401-V437 HydrophobicContact CE3-CB 3.94Å; W401-V437 HydrophobicContact CE3-CG1 3.56Å; W401-V437 HydrophobicContact CG-CB 4.37Å; W401-V437 HydrophobicContact CH2-CG1 4.01Å; W401-V437 HydrophobicContact CZ2-CG1 4.49Å; W401-V437 HydrophobicContact CZ2-CG2 4.3Å; W401-V437 HydrophobicContact CZ3-CB 4.26Å; W401-V437 HydrophobicContact CZ3-CG1 3.53Å; V402-V437 PolarHBondContact N-O 3.18Å
438M95.8Very high81.3Confident1 Ų142 Ų421%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-86.6125.4-179.6-63.8-177.6-173.900109.8R226 C228 V405 P421 V424 K425 I436R226-M438 PolarHBondContact O-N 2.98Å; C228-M438 PolarHBondContact N-O 2.85Å; C228-M438 VanDerWaalsContact O-O 3.09Å; V405-M438 HydrophobicContact CG1-SD 4.29Å; V405-M438 HydrophobicContact CG2-CB 4.32Å; P421-M438 HydrophobicContact CB-CE 3.93Å; P421-M438 HydrophobicContact CB-SD 3.84Å; P421-M438 HydrophobicContact CG-SD 4.32Å; V424-M438 HydrophobicContact CB-CE 4.33Å; V424-M438 HydrophobicContact CG1-CE 4.14Å; K425-M438 HydrophobicContact CD-CE 4.12Å; K425-M438 HydrophobicContact CG-CE 3.78Å; I436-M438 HydrophobicContact CD1-CE 3.71Å
439I97.7Very high82.1Confident12 Ų1246 Ų466%0.06226%0.261CS..EExtended strand (participates in β ladder)trans-95.8112.5173.8-56.1167.2000108.8C228 A230 K254 W401 V402C228-I439 HydrophobicContact CB-CG1 4.07Å; C228-I439 CarbonylContact O-C 3.53Å; C228-I439 VanDerWaalsContact O-CA 3.31Å; C228-I439 WeakPolarHBondContact O-CA 3.29Å; A230-I439 HydrophobicContact CB-CG2 4.07Å; K254-I439 HydrophobicContact CD-CG2 4.3Å; W401-I439 HydrophobicContact CB-CD1 3.91Å; W401-I439 HydrophobicContact CB-CG1 4.47Å; W401-I439 HydrophobicContact CE3-CD1 4.24Å; W401-I439 HydrophobicContact CE3-CG1 4.11Å; V402-I439 PolarHBondContact O-N 2.86Å
440V97.2Very high83.7Confident0 Ų041.5 Ų41.50%023%0.233CC..EExtended strand (participates in β ladder)trans-117125.7-179.1-175.90000109.4L227 C228 V229 A230 V405 I444 Y457L227-V440 HydrophobicContact CD1-CB 3.94Å; L227-V440 HydrophobicContact CD1-CG2 3.56Å; C228-V440 PolarHBondContact O-N 3.41Å; V229-V440 CarbonylContact C-O 3.55Å; V229-V440 VanDerWaalsContact CA-O 3.23Å; V229-V440 WeakPolarHBondContact CA-O 3.29Å; A230-V440 PolarHBondContact N-O 3.2Å; V405-V440 HydrophobicContact CB-CG2 3.98Å; V405-V440 HydrophobicContact CG1-CG2 4.12Å; V440-I444 HydrophobicContact CB-CD1 3.86Å; V440-I444 HydrophobicContact CG1-CB 4.4Å; V440-I444 HydrophobicContact CG1-CD1 3.62Å; V440-I444 HydrophobicContact CG1-CG1 3.74Å; V440-Y457 HydrophobicContact CG1-CD1 4.17Å; V440-Y457 HydrophobicContact CG1-CD2 4.07Å; V440-Y457 HydrophobicContact CG1-CE1 3.96Å; V440-Y457 HydrophobicContact CG1-CE2 3.9Å; V440-Y457 HydrophobicContact CG1-CG 4.21Å; V440-Y457 HydrophobicContact CG2-CD1 3.6Å; V440-Y457 HydrophobicContact CG2-CE1 3.97Å; V440-Y457 HydrophobicContact CG2-CG 3.96Å
441G95.3Very high85.7Confident15 Ų1544.5 Ų44.516%0.15524%0.237CC..SBendtrans-107.8-104.1174.600000111.3A230 G443 I444 T445A230-G441 WeakPolarHBondContact O-CA 3.18Å; G441-G443 PolarHBondContact O-N 2.95Å; G441-I444 PolarHBondContact O-N 3.47Å; G441-T445 PolarHBondContact O-N 2.79Å; G441-T445 VanDerWaalsContact O-N 3.08Å; G441-T445 PolarHBondContact O-OG1 2.85Å
442R92.5Very high87.9Confident78 Ų7848.6 Ų48.629%0.29426%0.256SS..Hα-helixtrans-46.8-28.2179-71.3-172.5-71.3-174.9-5116.2D412 Y418 I444 T445 E446D412-R442 IonicContact OD2-CZ 3.88Å; D412-R442 IonicContact OD2-NH1 3.57Å; D412-R442 PolarHBondContact OD2-NH1 2.66Å; D412-R442 IonicContact OD2-NH2 3.81Å; D412-R442 PolarHBondContact OD2-NH2 3.04Å; Y418-R442 PolarHBondContact OH-NE 3.36Å; Y418-R442 VanDerWaalsContact OH-NE 3.09Å; Y418-R442 PolarHBondContact OH-NH2 3.32Å; R442-I444 PolarHBondContact O-N 3.46Å; R442-I444 VanDerWaalsContact O-N 3.15Å; R442-T445 WeakPolarHBondContact CA-OG1 3.38Å; R442-T445 PolarHBondContact N-OG1 3.46Å; R442-E446 HydrophobicContact CB-CG 4.11Å; R442-E446 WeakPolarHBondContact CD-OE1 3.35Å; R442-E446 HydrophobicContact CG-CG 4.11Å; R442-E446 VanDerWaalsContact CG-OE1 3.31Å; R442-E446 WeakPolarHBondContact CG-OE1 3.33Å; R442-E446 WeakPolarHBondContact O-CB 3.48Å; R442-E446 PolarHBondContact O-N 3.07Å
443G91.9Very high90.3Very high13 Ų1348.4 Ų48.413%0.13425%0.25CC..Hα-helixtrans-60.2-20.1173.300000114.2G441G441-G443 PolarHBondContact O-N 2.95Å
444I96.3Very high92.6Very high0 Ų044.6 Ų44.60%022%0.223CC..Hα-helixtrans-114-51.6176.8-70.7167.5000109.6L227 V229 V440 G441 R442 E446 S447 I450 E453 A454 Y457L227-I444 HydrophobicContact CD1-CD1 4.22Å; L227-I444 HydrophobicContact CD2-CD1 4.02Å; V229-I444 HydrophobicContact CG1-CG2 4.36Å; V229-I444 HydrophobicContact CG2-CD1 3.57Å; V440-I444 HydrophobicContact CB-CD1 3.86Å; V440-I444 HydrophobicContact CG1-CB 4.4Å; V440-I444 HydrophobicContact CG1-CD1 3.62Å; V440-I444 HydrophobicContact CG1-CG1 3.74Å; G441-I444 PolarHBondContact O-N 3.47Å; R442-I444 PolarHBondContact O-N 3.46Å; R442-I444 VanDerWaalsContact O-N 3.15Å; I444-E446 VanDerWaalsContact C-N 3.26Å; I444-E446 PolarHBondContact O-N 3.47Å; I444-E446 VanDerWaalsContact O-N 3.17Å; I444-S447 WeakPolarHBondContact O-CB 3.42Å; I444-S447 PolarHBondContact O-N 3.48Å; I444-S447 PolarHBondContact O-OG 3.25Å; I444-I450 HydrophobicContact CG2-CD1 3.94Å; I444-I450 HydrophobicContact CG2-CG1 3.26Å; I444-E453 HydrophobicContact CG1-CB 4.2Å; I444-A454 HydrophobicContact CD1-CB 4.32Å; I444-A454 HydrophobicContact CG2-CB 4.4Å; I444-Y457 HydrophobicContact CD1-CD2 3.66Å; I444-Y457 HydrophobicContact CD1-CE2 4.32Å; I444-Y457 HydrophobicContact CD1-CG 4.19Å; I444-Y457 HydrophobicContact CG1-CD2 3.47Å; I444-Y457 VanDerWaalsContact CG1-CD2 3.47Å; I444-Y457 HydrophobicContact CG1-CE2 3.72Å; I444-Y457 HydrophobicContact CG1-CG 4.45Å
445T95Very high94.3Very high31 Ų3143.4 Ų43.419%0.1921%0.214CC..Hα-helixtrans-68.2-18.7-169.7600000115.1V229 M231 I233 G441 R442V229-T445 HydrophobicContact CG1-CG2 4.39Å; M231-T445 HydrophobicContact SD-CG2 3.88Å; I233-T445 HydrophobicContact CD1-CG2 4.45Å; G441-T445 PolarHBondContact O-N 2.79Å; G441-T445 VanDerWaalsContact O-N 3.08Å; G441-T445 PolarHBondContact O-OG1 2.85Å; R442-T445 WeakPolarHBondContact CA-OG1 3.38Å; R442-T445 PolarHBondContact N-OG1 3.46Å
446E92.2Very high95.2Very high128 Ų12845.7 Ų45.760%0.59823%0.226SC*.THydrogen-bonded Turntrans-98.90.9175.6-62.1178163.500112.8R442 I444R442-E446 HydrophobicContact CB-CG 4.11Å; R442-E446 WeakPolarHBondContact CD-OE1 3.35Å; R442-E446 HydrophobicContact CG-CG 4.11Å; R442-E446 VanDerWaalsContact CG-OE1 3.31Å; R442-E446 WeakPolarHBondContact CG-OE1 3.33Å; R442-E446 WeakPolarHBondContact O-CB 3.48Å; R442-E446 PolarHBondContact O-N 3.07Å; I444-E446 VanDerWaalsContact C-N 3.26Å; I444-E446 PolarHBondContact O-N 3.47Å; I444-E446 VanDerWaalsContact O-N 3.17Å
447S93.5Very high95.5Very high36 Ų3645.9 Ų45.925%0.25223%0.226SC..SBendtrans-79.9150.6179.871.80000112.2I444 N449 I450I444-S447 WeakPolarHBondContact O-CB 3.42Å; I444-S447 PolarHBondContact O-N 3.48Å; I444-S447 PolarHBondContact O-OG 3.25Å; S447-N449 VanDerWaalsContact C-N 3.29Å; S447-N449 PolarHBondContact O-N 2.9Å; S447-N449 PolarHBondContact OG-O 3.48Å; S447-I450 VanDerWaalsContact OG-CA 3.31Å; S447-I450 WeakPolarHBondContact OG-CA 3.29Å; S447-I450 PolarHBondContact OG-N 3.31Å
448E91.6Very high95.5Very high211 Ų21148.6 Ų48.699%0.98624%0.237SC*.SBendtrans-68-30.5175.2-64.5-176.2170.800112.4
449N95.7Very high95.4Very high87 Ų8752.2 Ų52.247%0.46526%0.256SS..  trans-124.283.7176.8-171.7-25.5000110.2S447 R451 Q452 E453S447-N449 VanDerWaalsContact C-N 3.29Å; S447-N449 PolarHBondContact O-N 2.9Å; S447-N449 PolarHBondContact OG-O 3.48Å; N449-R451 PolarHBondContact O-N 2.89Å; N449-R451 PolarHBondContact OD1-N 3.32Å; N449-Q452 HydrophobicContact CB-CB 4.13Å; N449-Q452 VanDerWaalsContact CG-CB 3.47Å; N449-Q452 PolarHBondContact O-N 3.4Å; N449-Q452 WeakPolarHBondContact OD1-CB 3.45Å; N449-Q452 PolarHBondContact OD1-N 3.38Å; N449-E453 PolarHBondContact O-N 3.43Å; N449-E453 VanDerWaalsContact O-N 3.11Å
450I97Very high95.2Very high8 Ų852.5 Ų52.54%0.04126%0.259CS..Hα-helixtrans-58.8-35.6-175.5-161.1179.6000112.5L242 E245 I246 I444 S447 A454L242-I450 HydrophobicContact CB-CD1 4.04Å; L242-I450 HydrophobicContact CD1-CD1 4.2Å; L242-I450 HydrophobicContact CD2-CD1 4Å; L242-I450 HydrophobicContact CD2-CG2 4.19Å; L242-I450 HydrophobicContact CG-CD1 4.31Å; E245-I450 HydrophobicContact CB-CG2 4.44Å; E245-I450 HydrophobicContact CG-CG2 3.96Å; E245-I450 WeakPolarHBondContact OE1-CG2 3.41Å; I246-I450 HydrophobicContact CG2-CB 4.25Å; I246-I450 HydrophobicContact CG2-CD1 3.94Å; I246-I450 HydrophobicContact CG2-CG1 3.71Å; I246-I450 HydrophobicContact CG2-CG2 3.84Å; I444-I450 HydrophobicContact CG2-CD1 3.94Å; I444-I450 HydrophobicContact CG2-CG1 3.26Å; S447-I450 VanDerWaalsContact OG-CA 3.31Å; S447-I450 WeakPolarHBondContact OG-CA 3.29Å; S447-I450 PolarHBondContact OG-N 3.31Å; I450-A454 VanDerWaalsContact O-CB 3.29Å; I450-A454 WeakPolarHBondContact O-CB 3.27Å; I450-A454 PolarHBondContact O-N 3.16Å
451R96.6Very high94.9Very high119 Ų11952.6 Ų52.645%0.44926%0.26SS..Hα-helixtrans-69.9-42.9-179.7-164.6174.2-147.3-1680.1112.6E245 N449 A454 T455E245-R451 HydrophobicContact CG-CB 4.16Å; E245-R451 PolarHBondContact O-NE 3.17Å; E245-R451 VanDerWaalsContact O-NE 3.15Å; N449-R451 PolarHBondContact O-N 2.89Å; N449-R451 PolarHBondContact OD1-N 3.32Å; R451-A454 PolarHBondContact O-N 2.95Å; R451-T455 PolarHBondContact O-N 2.87Å; R451-T455 PolarHBondContact O-OG1 3.41Å
452Q97.2Very high94.4Very high93 Ų9354.3 Ų54.344%0.43527%0.265SS..Hα-helixtrans-65-43.8177.2-176.459.655.600110.7N449 T455 N456N449-Q452 HydrophobicContact CB-CB 4.13Å; N449-Q452 VanDerWaalsContact CG-CB 3.47Å; N449-Q452 PolarHBondContact O-N 3.4Å; N449-Q452 WeakPolarHBondContact OD1-CB 3.45Å; N449-Q452 PolarHBondContact OD1-N 3.38Å; Q452-T455 WeakPolarHBondContact O-CB 3.49Å; Q452-T455 PolarHBondContact O-N 3.49Å; Q452-N456 PolarHBondContact NE2-OD1 3.27Å; Q452-N456 PolarHBondContact O-N 3.29Å; Q452-N456 PolarHBondContact O-ND2 3.03Å; Q452-N456 PolarHBondContact O-OD1 2.93Å
453E96.9Very high93.1Very high46 Ų4658.5 Ų58.522%0.21529%0.288CS..Hα-helixtrans-64.3-43.9176.2-75.4-56.111400111.8L407 I444 N449 T455 N456 Y457L407-E453 WeakPolarHBondContact CD1-OE2 3.32Å; I444-E453 HydrophobicContact CG1-CB 4.2Å; N449-E453 PolarHBondContact O-N 3.43Å; N449-E453 VanDerWaalsContact O-N 3.11Å; E453-T455 PolarHBondContact O-N 3.44Å; E453-N456 WeakPolarHBondContact O-CB 3.48Å; E453-N456 PolarHBondContact O-N 3.29Å; E453-N456 PolarHBondContact OE1-ND2 2.93Å; E453-Y457 VanDerWaalsContact O-CD2 3.22Å; E453-Y457 WeakPolarHBondContact O-CD2 3.23Å; E453-Y457 PolarHBondContact O-N 3.44Å
454A97.7Very high93.2Very high0 Ų060.8 Ų60.80%030%0.296CS..Hα-helixtrans-57.4-39.6173.900000112.1L227 I246 E249 I444 I450 R451 Y457 R458L227-A454 HydrophobicContact CD2-CB 4.37Å; L227-A454 VanDerWaalsContact CD2-O 3.29Å; L227-A454 WeakPolarHBondContact CD2-O 3.12Å; I246-A454 HydrophobicContact CB-CB 4.08Å; I246-A454 HydrophobicContact CG2-CB 3.97Å; E249-A454 HydrophobicContact CB-CB 3.93Å; E249-A454 HydrophobicContact CG-CB 4.12Å; I444-A454 HydrophobicContact CD1-CB 4.32Å; I444-A454 HydrophobicContact CG2-CB 4.4Å; I450-A454 VanDerWaalsContact O-CB 3.29Å; I450-A454 WeakPolarHBondContact O-CB 3.27Å; I450-A454 PolarHBondContact O-N 3.16Å; R451-A454 PolarHBondContact O-N 2.95Å; A454-Y457 PolarHBondContact O-N 2.95Å; A454-R458 WeakPolarHBondContact O-CB 3.46Å; A454-R458 PolarHBondContact O-N 2.81Å
455T97.2Very high93Very high28 Ų2864 Ų6417%0.17231%0.312CS..Hα-helixtrans-61.9-44.5173.9-57.50000111.6R451 Q452 E453 R458 L459R451-T455 PolarHBondContact O-N 2.87Å; R451-T455 PolarHBondContact O-OG1 3.41Å; Q452-T455 WeakPolarHBondContact O-CB 3.49Å; Q452-T455 PolarHBondContact O-N 3.49Å; E453-T455 PolarHBondContact O-N 3.44Å; T455-R458 PolarHBondContact O-N 3.35Å; T455-L459 HydrophobicContact CG2-CD1 4.3Å; T455-L459 WeakPolarHBondContact O-CG 3.49Å; T455-L459 PolarHBondContact O-N 2.93Å
456N96Very high92.9Very high53 Ų5365.8 Ų65.828%0.28332%0.318SS..Hα-helixtrans-61.1-47.7179-65.8-19.2000111.2Q452 E453 L459 A460Q452-N456 PolarHBondContact NE2-OD1 3.27Å; Q452-N456 PolarHBondContact O-N 3.29Å; Q452-N456 PolarHBondContact O-ND2 3.03Å; Q452-N456 PolarHBondContact O-OD1 2.93Å; E453-N456 WeakPolarHBondContact O-CB 3.48Å; E453-N456 PolarHBondContact O-N 3.29Å; E453-N456 PolarHBondContact OE1-ND2 2.93Å; N456-L459 PolarHBondContact O-N 2.66Å; N456-A460 WeakPolarHBondContact O-CB 3.46Å; N456-A460 PolarHBondContact O-N 3.07Å
457Y96.7Very high92.9Very high5 Ų562.2 Ų62.22%0.0230%0.302CS..Hα-helixtrans-68-35.3176.8-75.2-79.1000112.8V405 K406 L407 P421 V440 I444 E453 A454 A460 S461V405-Y457 HydrophobicContact CG1-CD1 4.39Å; V405-Y457 HydrophobicContact CG1-CE1 4.2Å; K406-Y457 VanDerWaalsContact CA-OH 3.29Å; K406-Y457 WeakPolarHBondContact CA-OH 3.42Å; L407-Y457 HydrophobicContact CD2-CD1 4.47Å; L407-Y457 HydrophobicContact CD2-CE1 4.1Å; L407-Y457 HydrophobicContact CG-CE1 3.97Å; L407-Y457 HydrophobicContact CG-CE2 4.18Å; L407-Y457 PolarHBondContact N-OH 3.45Å; P421-Y457 HydrophobicContact CG-CD1 4.14Å; P421-Y457 HydrophobicContact CG-CE1 4.29Å; V440-Y457 HydrophobicContact CG1-CD1 4.17Å; V440-Y457 HydrophobicContact CG1-CD2 4.07Å; V440-Y457 HydrophobicContact CG1-CE1 3.96Å; V440-Y457 HydrophobicContact CG1-CE2 3.9Å; V440-Y457 HydrophobicContact CG1-CG 4.21Å; V440-Y457 HydrophobicContact CG2-CD1 3.6Å; V440-Y457 HydrophobicContact CG2-CE1 3.97Å; V440-Y457 HydrophobicContact CG2-CG 3.96Å; I444-Y457 HydrophobicContact CD1-CD2 3.66Å; I444-Y457 HydrophobicContact CD1-CE2 4.32Å; I444-Y457 HydrophobicContact CD1-CG 4.19Å; I444-Y457 HydrophobicContact CG1-CD2 3.47Å; I444-Y457 VanDerWaalsContact CG1-CD2 3.47Å; I444-Y457 HydrophobicContact CG1-CE2 3.72Å; I444-Y457 HydrophobicContact CG1-CG 4.45Å; E453-Y457 VanDerWaalsContact O-CD2 3.22Å; E453-Y457 WeakPolarHBondContact O-CD2 3.23Å; E453-Y457 PolarHBondContact O-N 3.44Å; A454-Y457 PolarHBondContact O-N 2.95Å; Y457-A460 PolarHBondContact O-N 2.89Å; Y457-S461 WeakPolarHBondContact O-CB 3.2Å; Y457-S461 PolarHBondContact O-N 2.98Å
458R95.5Very high92.9Very high57 Ų5763.8 Ų63.822%0.21531%0.305CS..Hα-helixtrans-58-52.9173.6-178.9-170.569.7-172.2-11.3110.4Q224 L227 E249 A454 T455 A460 S461 I462Q224-R458 WeakPolarHBondContact O-CG 3.32Å; L227-R458 HydrophobicContact CD2-CB 4.43Å; E249-R458 WeakPolarHBondContact O-CD 3.49Å; E249-R458 IonicContact OE1-NH1 2.9Å; E249-R458 IonicContact OE2-CZ 3.55Å; E249-R458 IonicContact OE2-NE 3.36Å; E249-R458 PolarHBondContact OE2-NE 3Å; E249-R458 IonicContact OE2-NH1 2.9Å; E249-R458 PolarHBondContact OE2-NH1 2.82Å; E249-R458 IonicContact OE2-NH2 3.27Å; E249-R458 PolarHBondContact OE2-NH2 3.37Å; A454-R458 WeakPolarHBondContact O-CB 3.46Å; A454-R458 PolarHBondContact O-N 2.81Å; T455-R458 PolarHBondContact O-N 3.35Å; R458-A460 VanDerWaalsContact C-N 3.3Å; R458-A460 PolarHBondContact O-N 3.26Å; R458-S461 WeakPolarHBondContact O-CB 3.33Å; R458-S461 PolarHBondContact O-N 3.32Å; R458-S461 PolarHBondContact O-OG 2.88Å; R458-I462 PolarHBondContact O-N 2.86Å
459L94.6Very high93Very high77 Ų7754 Ų5440%0.40326%0.26SS..Hα-helixtrans-59.6-43.9179.2-67.8174.4000111.1T455 N456 S461 I462 Q463T455-L459 HydrophobicContact CG2-CD1 4.3Å; T455-L459 WeakPolarHBondContact O-CG 3.49Å; T455-L459 PolarHBondContact O-N 2.93Å; N456-L459 PolarHBondContact O-N 2.66Å; L459-S461 PolarHBondContact O-N 3.06Å; L459-I462 PolarHBondContact O-N 3.07Å; L459-Q463 WeakPolarHBondContact O-CB 3.4Å; L459-Q463 WeakPolarHBondContact O-CG 3.36Å; L459-Q463 PolarHBondContact O-N 2.68Å
460A92.1Very high92.8Very high17 Ų1751.6 Ų51.614%0.1425%0.245CC..Hα-helixtrans-65.9-20176.900000113.9P421 K425 N456 Y457 R458P421-A460 HydrophobicContact CB-CB 3.72Å; P421-A460 HydrophobicContact CG-CB 3.94Å; K425-A460 WeakPolarHBondContact CE-O 3.18Å; K425-A460 PolarHBondContact NZ-O 3.5Å; N456-A460 WeakPolarHBondContact O-CB 3.46Å; N456-A460 PolarHBondContact O-N 3.07Å; Y457-A460 PolarHBondContact O-N 2.89Å; R458-A460 VanDerWaalsContact C-N 3.3Å; R458-A460 PolarHBondContact O-N 3.26Å
461S90.5Very high92.5Very high3 Ų355 Ų552%0.02126%0.261CS..Hα-helixtrans-83.3-15.6177.677.60000114.3R226 Y457 R458 L459R226-S461 PolarHBondContact N-OG 3.15Å; Y457-S461 WeakPolarHBondContact O-CB 3.2Å; Y457-S461 PolarHBondContact O-N 2.98Å; R458-S461 WeakPolarHBondContact O-CB 3.33Å; R458-S461 PolarHBondContact O-N 3.32Å; R458-S461 PolarHBondContact O-OG 2.88Å; L459-S461 PolarHBondContact O-N 3.06Å
462I85.3Confident92.1Very high50 Ų5049.7 Ų49.726%0.25625%0.245SC..Hα-helixtrans-111-44.1-177.7-59.6-62000112.7Q224 R226 R458 L459Q224-I462 WeakPolarHBondContact O-CG1 3.27Å; R226-I462 HydrophobicContact CB-CD1 4.14Å; R226-I462 HydrophobicContact CG-CD1 3.79Å; R458-I462 PolarHBondContact O-N 2.86Å; L459-I462 PolarHBondContact O-N 3.07Å
463Q65.8Low91.7Very high167 Ų16745.7 Ų45.778%0.7823%0.228SC*.  trans-61.80173.5-67177.9-5.900110.2K425 L459K425-Q463 WeakPolarHBondContact CD-OXT 3.27Å; K425-Q463 WeakPolarHBondContact CE-OXT 3.37Å; K425-Q463 PolarHBondContact NZ-OXT 2.98Å; L459-Q463 WeakPolarHBondContact O-CB 3.4Å; L459-Q463 WeakPolarHBondContact O-CG 3.36Å; L459-Q463 PolarHBondContact O-N 2.68Å

Retrieved 463 of 463 residues in 152 ms (Link to these results)

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