G4VSB8_SCHMA Loading...

Synapse formation protein

AlphaFold DB , UniProt , Accession G4VSB8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 351 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
1M39.9Very low76.9Confident239 Ų23972.6 Ų72.6100%1.17740%0.401SS*.  01010-69.4-171.317400107.2
2N51.2Low78.5Confident90 Ų9073.1 Ų73.148%0.48140%0.396SS..  trans-130.613.8-175.5-109.414.6000112.7G4 N74N2-G4 PolarHBondContact O-N 3.33Å; N2-N74 PolarHBondContact ND2-OD1 2.91Å
3S54.1Low79.6Confident125 Ų12570.1 Ų70.187%0.87438%0.377SS*.THydrogen-bonded Turntrans-64.4115.8-171.5-61.80000113.3E25S3-E25 WeakPolarHBondContact CA-OE1 3.29Å
4G67.9Low80.2Confident50 Ų5069.1 Ų69.152%0.51539%0.391SS..THydrogen-bonded Turntrans104.717.8168.600000115.6N2 L6 E25N2-G4 PolarHBondContact O-N 3.33Å; G4-L6 PolarHBondContact O-N 3.46Å; G4-E25 PolarHBondContact N-OE1 3.5Å
5R79Confident80.9Confident54 Ų5470.9 Ų70.920%0.20442%0.419CS..  trans-85.3111.7-173-172.3174.5176.6-149.9-18.5112.1A24 E25 S76R5-A24 HydrophobicContact CB-CB 4.41Å; R5-A24 WeakPolarHBondContact O-CB 2.98Å; R5-A24 PolarHBondContact O-N 3.33Å; R5-E25 PolarHBondContact N-OE1 2.82Å; R5-S76 PolarHBondContact NH2-O 2.9Å
6L86.5Confident81.5Confident91 Ų9171.3 Ų71.348%0.47642%0.415SS..EExtended strand (participates in β ladder)trans-69.8128.3167.7-170.571.7000110.2G4 M23G4-L6 PolarHBondContact O-N 3.46Å; L6-M23 HydrophobicContact CB-SD 4.24Å; L6-M23 HydrophobicContact CD1-SD 3.77Å
7V88.6Confident82.3Confident0 Ų073 Ų730%042%0.416CS..EExtended strand (participates in β ladder)trans-109.6120.1175.5-176.10000108.5V9 S21 F22 A24 V73 L80V7-V9 HydrophobicContact CG1-CG2 4.48Å; V7-S21 VanDerWaalsContact O-CA 3.22Å; V7-S21 WeakPolarHBondContact O-CA 3.46Å; V7-S21 WeakPolarHBondContact O-CB 3.38Å; V7-F22 HydrophobicContact CB-CD2 4.45Å; V7-F22 HydrophobicContact CB-CE1 4.35Å; V7-F22 HydrophobicContact CB-CE2 4.1Å; V7-F22 HydrophobicContact CB-CZ 4.06Å; V7-F22 HydrophobicContact CG1-CE1 4.29Å; V7-F22 HydrophobicContact CG1-CZ 4.07Å; V7-F22 HydrophobicContact CG2-CE2 4.18Å; V7-F22 HydrophobicContact CG2-CZ 4.46Å; V7-F22 PolarHBondContact N-O 2.85Å; V7-F22 PolarHBondContact O-N 3.09Å; V7-F22 VanDerWaalsContact O-N 3.12Å; V7-A24 HydrophobicContact CG2-CB 4.1Å; V7-V73 HydrophobicContact CG2-CG1 3.79Å; V7-L80 HydrophobicContact CG1-CB 4.01Å; V7-L80 HydrophobicContact CG1-CD2 4.32Å
8E93Very high83Confident89 Ų8973.7 Ų73.742%0.41641%0.411SS..EExtended strand (participates in β ladder)trans-86.1137171.9-64.2-177177.500109.9L79 L80E8-L79 HydrophobicContact CB-CD1 3.85Å; E8-L80 PolarHBondContact O-N 3.19Å
9V94.4Very high83.7Confident2 Ų278.4 Ų78.41%0.01242%0.422CS..EExtended strand (participates in β ladder)trans-122.4132.4-178.4-172.50000110.2V7 R19 F20 F22 L80 I82V7-V9 HydrophobicContact CG1-CG2 4.48Å; V9-R19 VanDerWaalsContact O-CA 3.26Å; V9-R19 WeakPolarHBondContact O-CA 3.47Å; V9-F20 WeakPolarHBondContact CA-O 3.44Å; V9-F20 HydrophobicContact CB-CD1 4.22Å; V9-F20 HydrophobicContact CB-CD2 4.23Å; V9-F20 HydrophobicContact CB-CE1 3.99Å; V9-F20 HydrophobicContact CB-CE2 3.99Å; V9-F20 HydrophobicContact CB-CG 4.35Å; V9-F20 HydrophobicContact CB-CZ 3.87Å; V9-F20 WeakPolarHBondContact CB-O 3.48Å; V9-F20 HydrophobicContact CG1-CD1 4.4Å; V9-F20 HydrophobicContact CG1-CE1 3.73Å; V9-F20 HydrophobicContact CG1-CE2 4.24Å; V9-F20 HydrophobicContact CG1-CZ 3.64Å; V9-F20 HydrophobicContact CG2-CD2 4.22Å; V9-F20 HydrophobicContact CG2-CE2 3.83Å; V9-F20 HydrophobicContact CG2-CZ 4.09Å; V9-F20 PolarHBondContact N-O 3.28Å; V9-F20 PolarHBondContact O-N 3.1Å; V9-F22 HydrophobicContact CG2-CD1 3.79Å; V9-F22 HydrophobicContact CG2-CE1 3.44Å; V9-F22 VanDerWaalsContact CG2-CE1 3.44Å; V9-L80 WeakPolarHBondContact CA-O 3.46Å; V9-L80 HydrophobicContact CG2-CB 4.36Å; V9-L80 HydrophobicContact CG2-CD2 4.37Å; V9-I82 HydrophobicContact CG1-CD1 3.57Å; V9-I82 HydrophobicContact CG1-CG1 4.03Å
10K95.7Very high84.2Confident59 Ų5976.3 Ų76.326%0.25741%0.409SS..EExtended strand (participates in β ladder)trans-113.5108.6162.5-178.1175.2-178.4175.10107.6F17 R19 L79 L80 R81 I82K10-F17 HydrophobicContact CG-CD1 4.4Å; K10-R19 HydrophobicContact CB-CG 4.46Å; K10-R19 HydrophobicContact CG-CG 4.38Å; K10-L79 HydrophobicContact CB-CD1 4.12Å; K10-L79 HydrophobicContact CB-CD2 4.15Å; K10-L79 HydrophobicContact CB-CG 4.38Å; K10-L80 PolarHBondContact N-O 3.17Å; K10-R81 WeakPolarHBondContact O-CA 3.41Å; K10-I82 PolarHBondContact O-N 2.96Å
11S95.7Very high84.5Confident0 Ų076 Ų760%041%0.413CS..EExtended strand (participates in β ladder)trans-109.6130.6-176.4-175.60000110.7F17 R18 L37 H41 I82S11-F17 CarbonylContact O-C 3.48Å; S11-F17 WeakPolarHBondContact O-CA 3.48Å; S11-R18 PolarHBondContact N-O 3.48Å; S11-R18 PolarHBondContact O-N 2.97Å; S11-L37 WeakPolarHBondContact OG-CD2 3.47Å; S11-H41 VanDerWaalsContact CB-NE2 3.35Å; S11-H41 WeakPolarHBondContact CB-NE2 3.47Å; S11-H41 PolarHBondContact O-CE1 2.99Å; S11-H41 PolarHBondContact OG-NE2 3.24Å; S11-I82 WeakPolarHBondContact CA-O 3Å
12K96Very high86.8Confident78 Ų7865.5 Ų65.534%0.33936%0.36SS..EExtended strand (participates in β ladder)trans-113.7132.2-179.2-176.5-177.2-179.6175.70110.7G14 E16 F17 I82 L83 L84K12-G14 WeakPolarHBondContact CE-O 3.47Å; K12-E16 VanDerWaalsContact CA-O 3.31Å; K12-E16 WeakPolarHBondContact CA-O 3.3Å; K12-F17 HydrophobicContact CB-CD1 3.84Å; K12-F17 HydrophobicContact CB-CE1 3.75Å; K12-F17 HydrophobicContact CD-CD1 4.43Å; K12-F17 HydrophobicContact CD-CE1 3.57Å; K12-F17 HydrophobicContact CD-CZ 3.64Å; K12-F17 HydrophobicContact CG-CD1 3.99Å; K12-F17 HydrophobicContact CG-CE1 3.62Å; K12-F17 HydrophobicContact CG-CZ 3.93Å; K12-I82 PolarHBondContact N-O 3.47Å; K12-L83 HydrophobicContact CB-CD1 4.17Å; K12-L83 HydrophobicContact CD-CD1 4Å; K12-L83 HydrophobicContact CG-CD1 4.21Å; K12-L84 WeakPolarHBondContact O-CB 3.26Å; K12-L84 PolarHBondContact O-N 3.14Å
13F93.2Very high88.4Confident34 Ų3464.8 Ų64.815%0.14936%0.355CS..EExtended strand (participates in β ladder)trans-131.8114.8169.5178.9-109000109.5A15 E16 L43 L84 R86F13-A15 PolarHBondContact O-N 2.82Å; F13-A15 VanDerWaalsContact O-N 3.14Å; F13-E16 PolarHBondContact N-O 2.99Å; F13-E16 WeakPolarHBondContact O-CB 3.14Å; F13-E16 PolarHBondContact O-N 3.2Å; F13-L43 HydrophobicContact CD1-CD2 3.66Å; F13-L43 HydrophobicContact CD2-CD1 4Å; F13-L43 HydrophobicContact CD2-CD2 4.27Å; F13-L43 HydrophobicContact CE1-CD2 3.31Å; F13-L43 HydrophobicContact CE2-CD1 4.09Å; F13-L43 HydrophobicContact CE2-CD2 3.95Å; F13-L43 HydrophobicContact CG-CD1 4.27Å; F13-L43 HydrophobicContact CG-CD2 4.13Å; F13-L43 HydrophobicContact CZ-CD1 4.45Å; F13-L43 HydrophobicContact CZ-CD2 3.46Å; F13-L43 VanDerWaalsContact CZ-CD2 3.46Å; F13-L84 HydrophobicContact CB-CB 4.1Å; F13-L84 HydrophobicContact CB-CD1 4.37Å; F13-L84 HydrophobicContact CD2-CB 3.77Å; F13-L84 HydrophobicContact CG-CB 4.4Å; F13-R86 HydrophobicContact CE2-CG 3.69Å; F13-R86 HydrophobicContact CZ-CG 3.69Å
14G88.2Confident89.5Confident56 Ų5659.7 Ų59.758%0.57732%0.321SS*.THydrogen-bonded Turntrans59.7-117.2-172.500000112K12K12-G14 WeakPolarHBondContact CE-O 3.47Å
15A89.5Confident89.8Confident97 Ų9760.3 Ų60.380%0.80231%0.31SS*.THydrogen-bonded Turntrans-95.8-7.6174.400000113.4F13F13-A15 PolarHBondContact O-N 2.82Å; F13-A15 VanDerWaalsContact O-N 3.14Å
16E91.8Very high89.3Confident76 Ų7663.8 Ų63.836%0.35533%0.333SS..EExtended strand (participates in β ladder)trans-86.8145.2-175.7-175.8179.1-178.700111.9K12 F13 R18K12-E16 VanDerWaalsContact CA-O 3.31Å; K12-E16 WeakPolarHBondContact CA-O 3.3Å; F13-E16 PolarHBondContact N-O 2.99Å; F13-E16 WeakPolarHBondContact O-CB 3.14Å; F13-E16 PolarHBondContact O-N 3.2Å; E16-R18 IonicContact OE1-CZ 3.82Å; E16-R18 IonicContact OE1-NE 2.82Å; E16-R18 PolarHBondContact OE1-NE 2.89Å; E16-R18 IonicContact OE1-NH2 3.88Å; E16-R18 PolarHBondContact OE1-NH2 2.87Å
17F95.1Very high88.3Confident101 Ų10160.2 Ų60.244%0.44332%0.315SS..EExtended strand (participates in β ladder)trans-124.3140.1172.2-65.5-90.1000110.9K10 S11 K12K10-F17 HydrophobicContact CG-CD1 4.4Å; S11-F17 CarbonylContact O-C 3.48Å; S11-F17 WeakPolarHBondContact O-CA 3.48Å; K12-F17 HydrophobicContact CB-CD1 3.84Å; K12-F17 HydrophobicContact CB-CE1 3.75Å; K12-F17 HydrophobicContact CD-CD1 4.43Å; K12-F17 HydrophobicContact CD-CE1 3.57Å; K12-F17 HydrophobicContact CD-CZ 3.64Å; K12-F17 HydrophobicContact CG-CD1 3.99Å; K12-F17 HydrophobicContact CG-CE1 3.62Å; K12-F17 HydrophobicContact CG-CZ 3.93Å
18R94.9Very high87.2Confident86 Ų8666.6 Ų66.633%0.32535%0.348SS..EExtended strand (participates in β ladder)trans-132.7136.6172.2-64.8-174.8176.5-108.4-8.4109.9S11 E16 I40S11-R18 PolarHBondContact N-O 3.48Å; S11-R18 PolarHBondContact O-N 2.97Å; E16-R18 IonicContact OE1-CZ 3.82Å; E16-R18 IonicContact OE1-NE 2.82Å; E16-R18 PolarHBondContact OE1-NE 2.89Å; E16-R18 IonicContact OE1-NH2 3.88Å; E16-R18 PolarHBondContact OE1-NH2 2.87Å; R18-I40 HydrophobicContact CB-CG2 3.84Å; R18-I40 VanDerWaalsContact CD-CG2 3.42Å; R18-I40 WeakPolarHBondContact CD-O 3.5Å; R18-I40 HydrophobicContact CG-CG2 4.26Å; R18-I40 PolarHBondContact NE-O 2.84Å; R18-I40 PolarHBondContact NH1-O 2.76Å
19R95.5Very high87Confident162 Ų16267.8 Ų67.861%0.61135%0.354SS*.EExtended strand (participates in β ladder)trans-114.1137.1175.4-61.8-176.775.5133.9-0.6109.7V9 K10V9-R19 VanDerWaalsContact O-CA 3.26Å; V9-R19 WeakPolarHBondContact O-CA 3.47Å; K10-R19 HydrophobicContact CB-CG 4.46Å; K10-R19 HydrophobicContact CG-CG 4.38Å
20F93.4Very high86.8Confident36 Ų3669.3 Ų69.316%0.15836%0.36CS..EExtended strand (participates in β ladder)trans-157.2167.4176.661.1-84.6000109.1V9 F22 F33 L36 L37 I40V9-F20 WeakPolarHBondContact CA-O 3.44Å; V9-F20 HydrophobicContact CB-CD1 4.22Å; V9-F20 HydrophobicContact CB-CD2 4.23Å; V9-F20 HydrophobicContact CB-CE1 3.99Å; V9-F20 HydrophobicContact CB-CE2 3.99Å; V9-F20 HydrophobicContact CB-CG 4.35Å; V9-F20 HydrophobicContact CB-CZ 3.87Å; V9-F20 WeakPolarHBondContact CB-O 3.48Å; V9-F20 HydrophobicContact CG1-CD1 4.4Å; V9-F20 HydrophobicContact CG1-CE1 3.73Å; V9-F20 HydrophobicContact CG1-CE2 4.24Å; V9-F20 HydrophobicContact CG1-CZ 3.64Å; V9-F20 HydrophobicContact CG2-CD2 4.22Å; V9-F20 HydrophobicContact CG2-CE2 3.83Å; V9-F20 HydrophobicContact CG2-CZ 4.09Å; V9-F20 PolarHBondContact N-O 3.28Å; V9-F20 PolarHBondContact O-N 3.1Å; F20-F22 HydrophobicContact CD2-CD1 4.39Å; F20-F22 HydrophobicContact CE2-CD1 4.03Å; F20-F22 HydrophobicContact CE2-CE1 4.48Å; F20-F33 HydrophobicContact CE2-CE2 4.34Å; F20-F33 HydrophobicContact CZ-CE2 4.34Å; F20-L36 HydrophobicContact CD2-CD2 4.33Å; F20-L36 HydrophobicContact CE2-CD2 3.76Å; F20-L36 HydrophobicContact CE2-CG 4.36Å; F20-L37 HydrophobicContact CE1-CD2 4.02Å; F20-L37 HydrophobicContact CZ-CD2 3.77Å; F20-I40 HydrophobicContact CB-CD1 4.16Å; F20-I40 HydrophobicContact CD1-CD1 3.5Å; F20-I40 VanDerWaalsContact CD1-CD1 3.5Å; F20-I40 HydrophobicContact CD1-CG2 4.14Å; F20-I40 HydrophobicContact CD2-CD1 3.67Å; F20-I40 HydrophobicContact CE1-CD1 3.64Å; F20-I40 HydrophobicContact CE1-CG2 4.24Å; F20-I40 HydrophobicContact CE2-CD1 3.81Å; F20-I40 HydrophobicContact CG-CD1 3.51Å; F20-I40 HydrophobicContact CZ-CD1 3.78Å
21S91Very high86.6Confident71 Ų7171.5 Ų71.550%0.49737%0.374SS..EExtended strand (participates in β ladder)trans-131154.9175.858.50000110.5V7V7-S21 VanDerWaalsContact O-CA 3.22Å; V7-S21 WeakPolarHBondContact O-CA 3.46Å; V7-S21 WeakPolarHBondContact O-CB 3.38Å
22F88.6Confident86.4Confident18 Ų1874 Ų748%0.07939%0.394CS..EExtended strand (participates in β ladder)trans-146.6154.7174.364.6-97.3000110.1V7 V9 F20 T27 F33 F69 V73V7-F22 HydrophobicContact CB-CD2 4.45Å; V7-F22 HydrophobicContact CB-CE1 4.35Å; V7-F22 HydrophobicContact CB-CE2 4.1Å; V7-F22 HydrophobicContact CB-CZ 4.06Å; V7-F22 HydrophobicContact CG1-CE1 4.29Å; V7-F22 HydrophobicContact CG1-CZ 4.07Å; V7-F22 HydrophobicContact CG2-CE2 4.18Å; V7-F22 HydrophobicContact CG2-CZ 4.46Å; V7-F22 PolarHBondContact N-O 2.85Å; V7-F22 PolarHBondContact O-N 3.09Å; V7-F22 VanDerWaalsContact O-N 3.12Å; V9-F22 HydrophobicContact CG2-CD1 3.79Å; V9-F22 HydrophobicContact CG2-CE1 3.44Å; V9-F22 VanDerWaalsContact CG2-CE1 3.44Å; F20-F22 HydrophobicContact CD2-CD1 4.39Å; F20-F22 HydrophobicContact CE2-CD1 4.03Å; F20-F22 HydrophobicContact CE2-CE1 4.48Å; F22-T27 HydrophobicContact CB-CG2 4.48Å; F22-T27 HydrophobicContact CD2-CG2 4.18Å; F22-T27 WeakPolarHBondContact CD2-OG1 3.06Å; F22-T27 WeakPolarHBondContact CE2-OG1 3.26Å; F22-T27 HydrophobicContact CG-CG2 4.4Å; F22-F33 HydrophobicContact CD1-CE2 4.37Å; F22-F33 HydrophobicContact CE1-CD2 4.24Å; F22-F33 AromaticContact CE1-CE2 3.65Å; F22-F33 HydrophobicContact CE1-CE2 3.65Å; F22-F33 HydrophobicContact CZ-CD2 4.47Å; F22-F33 HydrophobicContact CZ-CE2 4.18Å; F22-F69 HydrophobicContact CE2-CZ 4.3Å; F22-F69 HydrophobicContact CZ-CE2 4.45Å; F22-F69 HydrophobicContact CZ-CZ 4.05Å; F22-V73 HydrophobicContact CE2-CG2 4.5Å; F22-V73 HydrophobicContact CZ-CG2 4.13Å
23M84.2Confident86.2Confident75 Ų7570.2 Ų70.237%0.36938%0.378SS..EExtended strand (participates in β ladder)trans-78.3129.5172.1-60.5-62.6-98.700108.7L6 E25 D26L6-M23 HydrophobicContact CB-SD 4.24Å; L6-M23 HydrophobicContact CD1-SD 3.77Å; M23-E25 PolarHBondContact O-N 2.76Å; M23-D26 HydrophobicContact CB-CB 4.5Å; M23-D26 PolarHBondContact O-N 3.39Å
24A77.9Confident86.3Confident18 Ų1870.9 Ų70.915%0.14938%0.38CS..THydrogen-bonded Turntrans-57.1-23.4-177.300000112.9R5 V7 V73R5-A24 HydrophobicContact CB-CB 4.41Å; R5-A24 WeakPolarHBondContact O-CB 2.98Å; R5-A24 PolarHBondContact O-N 3.33Å; V7-A24 HydrophobicContact CG2-CB 4.1Å; A24-V73 HydrophobicContact CB-CG1 4.35Å
25E74.2Confident86.4Confident63 Ų6371 Ų7129%0.29437%0.372SS..THydrogen-bonded Turntrans-73.3-32.7176.9-61.671.5-151.400113.5S3 G4 R5 M23 L28S3-E25 WeakPolarHBondContact CA-OE1 3.29Å; G4-E25 PolarHBondContact N-OE1 3.5Å; R5-E25 PolarHBondContact N-OE1 2.82Å; M23-E25 PolarHBondContact O-N 2.76Å; E25-L28 WeakPolarHBondContact O-CD1 3.29Å; E25-L28 WeakPolarHBondContact O-CG 3.46Å
26D68.1Low86.6Confident128 Ų12867.9 Ų67.968%0.68434%0.341SS*.THydrogen-bonded Turntrans-80.8-21.3-170-68-19.1000112.5M23M23-D26 HydrophobicContact CB-CB 4.5Å; M23-D26 PolarHBondContact O-N 3.39Å
27T65.3Low86.7Confident16 Ų1664.2 Ų64.210%0.09832%0.324CS..THydrogen-bonded Turntrans-121.847.8-172.455.30000112.3F22 Q29 F69F22-T27 HydrophobicContact CB-CG2 4.48Å; F22-T27 HydrophobicContact CD2-CG2 4.18Å; F22-T27 WeakPolarHBondContact CD2-OG1 3.06Å; F22-T27 WeakPolarHBondContact CE2-OG1 3.26Å; F22-T27 HydrophobicContact CG-CG2 4.4Å; T27-Q29 PolarHBondContact O-N 3.41Å; T27-F69 WeakPolarHBondContact O-CE1 3.35Å
28L66.4Low86.7Confident134 Ų13461.8 Ų61.870%0.70231%0.314SS*.  trans-63.3-7.1-176.9-73162.2000115.3E25E25-L28 WeakPolarHBondContact O-CD1 3.29Å; E25-L28 WeakPolarHBondContact O-CG 3.46Å
29Q86.9Confident86.6Confident114 Ų11464.3 Ų64.353%0.53332%0.324SS..SBendtrans-124136.5-174-60.6-169.21.800112.9T27 N31 A32 F33T27-Q29 PolarHBondContact O-N 3.41Å; Q29-N31 VanDerWaalsContact C-N 3.27Å; Q29-N31 PolarHBondContact O-N 2.91Å; Q29-A32 PolarHBondContact O-N 3.46Å; Q29-F33 PolarHBondContact O-N 2.85Å; Q29-F33 VanDerWaalsContact O-N 3.14Å
30Y91.6Very high86.6Confident33 Ų3358.2 Ų58.213%0.12930%0.303CS..Hα-helixtrans-54.5-41.5175.8171.1-108.3000112.5A32 F33 Y34 I50 I63 N66Y30-A32 PolarHBondContact O-N 3.31Å; Y30-F33 WeakPolarHBondContact O-CB 3.14Å; Y30-F33 PolarHBondContact O-N 2.97Å; Y30-Y34 WeakPolarHBondContact O-CB 3.35Å; Y30-Y34 PolarHBondContact O-N 3.27Å; Y30-I50 HydrophobicContact CE2-CD1 3.82Å; Y30-I63 HydrophobicContact CD2-CG2 3.55Å; Y30-I63 HydrophobicContact CE2-CB 4.25Å; Y30-I63 HydrophobicContact CE2-CG2 3.63Å; Y30-I63 WeakPolarHBondContact CE2-O 3.45Å; Y30-I63 PolarHBondContact OH-O 3.46Å; Y30-I63 VanDerWaalsContact OH-O 3.05Å; Y30-N66 WeakPolarHBondContact CB-OD1 3.41Å; Y30-N66 PolarHBondContact N-OD1 3.32Å
31N92Very high86.6Confident106 Ų10656.8 Ų56.857%0.56730%0.297SS*.Hα-helixtrans-64.1-40.8-178.9-67.3-21.1000111.9Q29 F33 Y34 S35Q29-N31 VanDerWaalsContact C-N 3.27Å; Q29-N31 PolarHBondContact O-N 2.91Å; N31-F33 VanDerWaalsContact C-N 3.31Å; N31-F33 PolarHBondContact O-N 3.22Å; N31-Y34 PolarHBondContact O-N 3.37Å; N31-S35 PolarHBondContact O-N 3.18Å; N31-S35 PolarHBondContact O-OG 3.06Å
32A90.8Very high86.7Confident51 Ų5158.7 Ų58.742%0.42130%0.299SS..Hα-helixtrans-64.8-39.7175.700000111.1Q29 Y30 S35 L36Q29-A32 PolarHBondContact O-N 3.46Å; Y30-A32 PolarHBondContact O-N 3.31Å; A32-S35 PolarHBondContact O-N 3.28Å; A32-L36 WeakPolarHBondContact O-CB 3.03Å; A32-L36 PolarHBondContact O-N 3.39Å
33F92.6Very high86.8Confident0 Ų058 Ų580%030%0.296CS..Hα-helixtrans-66.3-41176.3-171.4-111.4000113.2F20 F22 Q29 Y30 N31 L36 L37 I50 F69 I82F20-F33 HydrophobicContact CE2-CE2 4.34Å; F20-F33 HydrophobicContact CZ-CE2 4.34Å; F22-F33 HydrophobicContact CD1-CE2 4.37Å; F22-F33 HydrophobicContact CE1-CD2 4.24Å; F22-F33 AromaticContact CE1-CE2 3.65Å; F22-F33 HydrophobicContact CE1-CE2 3.65Å; F22-F33 HydrophobicContact CZ-CD2 4.47Å; F22-F33 HydrophobicContact CZ-CE2 4.18Å; Q29-F33 PolarHBondContact O-N 2.85Å; Q29-F33 VanDerWaalsContact O-N 3.14Å; Y30-F33 WeakPolarHBondContact O-CB 3.14Å; Y30-F33 PolarHBondContact O-N 2.97Å; N31-F33 VanDerWaalsContact C-N 3.31Å; N31-F33 PolarHBondContact O-N 3.22Å; F33-L36 HydrophobicContact CD2-CD2 4.45Å; F33-L36 WeakPolarHBondContact O-CB 3.31Å; F33-L36 PolarHBondContact O-N 3.49Å; F33-L37 HydrophobicContact CD1-CD1 3.77Å; F33-L37 HydrophobicContact CE1-CD1 3.27Å; F33-L37 HydrophobicContact CE1-CG 4.05Å; F33-L37 HydrophobicContact CE2-CG 4.48Å; F33-L37 HydrophobicContact CZ-CD1 3.69Å; F33-L37 HydrophobicContact CZ-CD2 4.25Å; F33-L37 HydrophobicContact CZ-CG 3.99Å; F33-L37 PolarHBondContact O-N 3.26Å; F33-I50 HydrophobicContact CD1-CD1 4.48Å; F33-I50 HydrophobicContact CE1-CG2 4.41Å; F33-F69 HydrophobicContact CB-CD2 4.19Å; F33-F69 HydrophobicContact CB-CE2 3.74Å; F33-F69 HydrophobicContact CB-CZ 4.07Å; F33-F69 AromaticContact CD1-CD2 3.7Å; F33-F69 HydrophobicContact CD1-CD2 3.7Å; F33-F69 AromaticContact CD1-CE2 3.45Å; F33-F69 HydrophobicContact CD1-CE2 3.45Å; F33-F69 VanDerWaalsContact CD1-CE2 3.45Å; F33-F69 AromaticContact CD2-CE2 3.55Å; F33-F69 HydrophobicContact CD2-CE2 3.55Å; F33-F69 AromaticContact CD2-CZ 3.97Å; F33-F69 HydrophobicContact CD2-CZ 3.97Å; F33-F69 HydrophobicContact CE1-CD2 4.26Å; F33-F69 AromaticContact CE1-CE2 3.91Å; F33-F69 HydrophobicContact CE1-CE2 3.91Å; F33-F69 HydrophobicContact CE2-CE2 4.04Å; F33-F69 AromaticContact CG-CD2 3.88Å; F33-F69 HydrophobicContact CG-CD2 3.88Å; F33-F69 AromaticContact CG-CE2 3.26Å; F33-F69 HydrophobicContact CG-CE2 3.26Å; F33-F69 AromaticContact CG-CZ 3.92Å; F33-F69 HydrophobicContact CG-CZ 3.92Å; F33-F69 HydrophobicContact CZ-CE2 4.2Å; F33-I82 HydrophobicContact CE1-CD1 3.63Å; F33-I82 HydrophobicContact CE2-CD1 4.44Å; F33-I82 HydrophobicContact CZ-CD1 3.24Å
34Y93.5Very high86.9Confident48 Ų4860 Ų6019%0.18830%0.303CS..Hα-helixtrans-59.1-49.5173.9-174.2-78.8000110.8Y30 N31 L36 L37 E38 F48 I50Y30-Y34 WeakPolarHBondContact O-CB 3.35Å; Y30-Y34 PolarHBondContact O-N 3.27Å; N31-Y34 PolarHBondContact O-N 3.37Å; Y34-L36 VanDerWaalsContact C-N 3.29Å; Y34-L36 PolarHBondContact O-N 2.81Å; Y34-L37 PolarHBondContact O-N 3.19Å; Y34-E38 WeakPolarHBondContact O-CB 3.41Å; Y34-E38 PolarHBondContact O-N 3.46Å; Y34-F48 HydrophobicContact CD1-CE1 4.47Å; Y34-F48 AromaticContact CD1-CZ 3.91Å; Y34-F48 HydrophobicContact CD1-CZ 3.91Å; Y34-F48 AromaticContact CD2-CE2 3.79Å; Y34-F48 HydrophobicContact CD2-CE2 3.79Å; Y34-F48 AromaticContact CD2-CZ 3.97Å; Y34-F48 HydrophobicContact CD2-CZ 3.97Å; Y34-F48 AromaticContact CE1-CE1 3.72Å; Y34-F48 HydrophobicContact CE1-CE1 3.72Å; Y34-F48 HydrophobicContact CE1-CE2 4.3Å; Y34-F48 AromaticContact CE1-CZ 3.57Å; Y34-F48 HydrophobicContact CE1-CZ 3.57Å; Y34-F48 HydrophobicContact CE2-CD1 4.48Å; Y34-F48 AromaticContact CE2-CD2 3.86Å; Y34-F48 HydrophobicContact CE2-CD2 3.86Å; Y34-F48 HydrophobicContact CE2-CE1 4.15Å; Y34-F48 AromaticContact CE2-CE2 3.49Å; Y34-F48 HydrophobicContact CE2-CE2 3.49Å; Y34-F48 VanDerWaalsContact CE2-CE2 3.49Å; Y34-F48 HydrophobicContact CE2-CG 4.34Å; Y34-F48 AromaticContact CE2-CZ 3.64Å; Y34-F48 HydrophobicContact CE2-CZ 3.64Å; Y34-F48 HydrophobicContact CG-CE2 4.3Å; Y34-F48 HydrophobicContact CG-CZ 4.08Å; Y34-F48 AromaticContact CZ-CD1 3.95Å; Y34-F48 AromaticContact CZ-CE1 3.52Å; Y34-F48 AromaticContact CZ-CE2 3.77Å; Y34-F48 AromaticContact CZ-CZ 3.41Å; Y34-F48 VanDerWaalsContact CZ-CZ 3.41Å; Y34-F48 WeakPolarHBondContact OH-CD1 3Å; Y34-F48 WeakPolarHBondContact OH-CE1 3.21Å; Y34-F48 PolarHBondContact OH-N 3.31Å; Y34-I50 HydrophobicContact CD2-CD1 3.58Å; Y34-I50 HydrophobicContact CD2-CG1 4.28Å; Y34-I50 HydrophobicContact CE2-CD1 4.4Å; Y34-I50 HydrophobicContact CG-CD1 4.23Å
35S92.1Very high87.3Confident57 Ų5767 Ų6740%0.39934%0.338SS..Hα-helixtrans-65.7-29.8178-61.90000113.3N31 A32 R39N31-S35 PolarHBondContact O-N 3.18Å; N31-S35 PolarHBondContact O-OG 3.06Å; A32-S35 PolarHBondContact O-N 3.28Å; S35-R39 WeakPolarHBondContact O-CB 3.41Å; S35-R39 PolarHBondContact O-N 3.14Å; S35-R39 VanDerWaalsContact O-N 3.14Å
36L93Very high88Confident32 Ų3266 Ų6617%0.16834%0.335CS..Hα-helixtrans-65.7-47.9172.2179.663.9000110.9F20 A32 F33 Y34 R39 I40F20-L36 HydrophobicContact CD2-CD2 4.33Å; F20-L36 HydrophobicContact CE2-CD2 3.76Å; F20-L36 HydrophobicContact CE2-CG 4.36Å; A32-L36 WeakPolarHBondContact O-CB 3.03Å; A32-L36 PolarHBondContact O-N 3.39Å; F33-L36 HydrophobicContact CD2-CD2 4.45Å; F33-L36 WeakPolarHBondContact O-CB 3.31Å; F33-L36 PolarHBondContact O-N 3.49Å; Y34-L36 VanDerWaalsContact C-N 3.29Å; Y34-L36 PolarHBondContact O-N 2.81Å; L36-R39 PolarHBondContact O-N 3.29Å; L36-I40 HydrophobicContact CD1-CD1 3.77Å; L36-I40 HydrophobicContact CD1-CG1 4.21Å; L36-I40 HydrophobicContact CD2-CD1 4.45Å; L36-I40 HydrophobicContact CG-CD1 3.77Å; L36-I40 HydrophobicContact CG-CG1 4.47Å; L36-I40 WeakPolarHBondContact O-CB 3.27Å; L36-I40 VanDerWaalsContact O-CG1 3.28Å; L36-I40 WeakPolarHBondContact O-CG1 3.16Å; L36-I40 PolarHBondContact O-N 2.97Å
37L94Very high89Confident0 Ų063.3 Ų63.30%032%0.324CS..Hα-helixtrans-63.7-40.4177.6-74.6167.5000112.3S11 F20 F33 Y34 R39 I40 H41 F48 I50 I82 L84S11-L37 WeakPolarHBondContact OG-CD2 3.47Å; F20-L37 HydrophobicContact CE1-CD2 4.02Å; F20-L37 HydrophobicContact CZ-CD2 3.77Å; F33-L37 HydrophobicContact CD1-CD1 3.77Å; F33-L37 HydrophobicContact CE1-CD1 3.27Å; F33-L37 HydrophobicContact CE1-CG 4.05Å; F33-L37 HydrophobicContact CE2-CG 4.48Å; F33-L37 HydrophobicContact CZ-CD1 3.69Å; F33-L37 HydrophobicContact CZ-CD2 4.25Å; F33-L37 HydrophobicContact CZ-CG 3.99Å; F33-L37 PolarHBondContact O-N 3.26Å; Y34-L37 PolarHBondContact O-N 3.19Å; L37-R39 VanDerWaalsContact C-N 3.32Å; L37-R39 PolarHBondContact O-N 3.14Å; L37-I40 PolarHBondContact O-N 3.04Å; L37-H41 PolarHBondContact O-N 2.99Å; L37-F48 HydrophobicContact CB-CE2 4.32Å; L37-F48 HydrophobicContact CB-CZ 4.32Å; L37-I50 HydrophobicContact CD1-CD1 3.58Å; L37-I50 HydrophobicContact CD1-CG1 3.96Å; L37-I50 HydrophobicContact CD1-CG2 4.05Å; L37-I82 HydrophobicContact CD1-CG2 4.47Å; L37-L84 HydrophobicContact CB-CD1 4.33Å; L37-L84 HydrophobicContact CD1-CD2 3.82Å; L37-L84 HydrophobicContact CD2-CD1 4.26Å; L37-L84 HydrophobicContact CD2-CD2 4.39Å
38E94.1Very high90.3Very high49 Ų4962.7 Ų62.723%0.22932%0.32CS..Hα-helixtrans-57.4-46.3174.8-175.8177.2-170.200111.2Y34 M42 L43 F44 F48Y34-E38 WeakPolarHBondContact O-CB 3.41Å; Y34-E38 PolarHBondContact O-N 3.46Å; E38-M42 CarbonylContact O-C 3.45Å; E38-M42 WeakPolarHBondContact O-CA 3.49Å; E38-M42 PolarHBondContact O-N 2.91Å; E38-L43 HydrophobicContact CG-CB 4.37Å; E38-L43 PolarHBondContact O-N 2.86Å; E38-F44 HydrophobicContact CG-CD1 4.4Å; E38-F48 HydrophobicContact CB-CE1 3.92Å; E38-F48 HydrophobicContact CB-CZ 4.02Å; E38-F48 HydrophobicContact CG-CE1 4.26Å
39R94Very high91.5Very high140 Ų14057.9 Ų57.953%0.52830%0.296SS..Hα-helixtrans-68-42.9177.2-166.7-169.7-44.8127.711.1112.1S35 L36 L37 M42 F44S35-R39 WeakPolarHBondContact O-CB 3.41Å; S35-R39 PolarHBondContact O-N 3.14Å; S35-R39 VanDerWaalsContact O-N 3.14Å; L36-R39 PolarHBondContact O-N 3.29Å; L37-R39 VanDerWaalsContact C-N 3.32Å; L37-R39 PolarHBondContact O-N 3.14Å; R39-M42 WeakPolarHBondContact O-CE 3.49Å; R39-M42 PolarHBondContact O-N 2.95Å; R39-F44 HydrophobicContact CG-CZ 4.49Å
40I94.1Very high91.9Very high34 Ų3452.4 Ų52.417%0.17427%0.27CS..Hα-helixtrans-65.8-44.2-176.4-75176.2000110.9R18 F20 L36 L37R18-I40 HydrophobicContact CB-CG2 3.84Å; R18-I40 VanDerWaalsContact CD-CG2 3.42Å; R18-I40 WeakPolarHBondContact CD-O 3.5Å; R18-I40 HydrophobicContact CG-CG2 4.26Å; R18-I40 PolarHBondContact NE-O 2.84Å; R18-I40 PolarHBondContact NH1-O 2.76Å; F20-I40 HydrophobicContact CB-CD1 4.16Å; F20-I40 HydrophobicContact CD1-CD1 3.5Å; F20-I40 VanDerWaalsContact CD1-CD1 3.5Å; F20-I40 HydrophobicContact CD1-CG2 4.14Å; F20-I40 HydrophobicContact CD2-CD1 3.67Å; F20-I40 HydrophobicContact CE1-CD1 3.64Å; F20-I40 HydrophobicContact CE1-CG2 4.24Å; F20-I40 HydrophobicContact CE2-CD1 3.81Å; F20-I40 HydrophobicContact CG-CD1 3.51Å; F20-I40 HydrophobicContact CZ-CD1 3.78Å; L36-I40 HydrophobicContact CD1-CD1 3.77Å; L36-I40 HydrophobicContact CD1-CG1 4.21Å; L36-I40 HydrophobicContact CD2-CD1 4.45Å; L36-I40 HydrophobicContact CG-CD1 3.77Å; L36-I40 HydrophobicContact CG-CG1 4.47Å; L36-I40 WeakPolarHBondContact O-CB 3.27Å; L36-I40 VanDerWaalsContact O-CG1 3.28Å; L36-I40 WeakPolarHBondContact O-CG1 3.16Å; L36-I40 PolarHBondContact O-N 2.97Å; L37-I40 PolarHBondContact O-N 3.04Å
41H93.9Very high91.9Very high6 Ų652.2 Ų52.23%0.02827%0.271CS..THydrogen-bonded Turntrans-927.4-180-75.5-88000114.2S11 L37 L43 L84S11-H41 VanDerWaalsContact CB-NE2 3.35Å; S11-H41 WeakPolarHBondContact CB-NE2 3.47Å; S11-H41 PolarHBondContact O-CE1 2.99Å; S11-H41 PolarHBondContact OG-NE2 3.24Å; L37-H41 PolarHBondContact O-N 2.99Å; H41-L43 VanDerWaalsContact C-N 3.29Å; H41-L43 HydrophobicContact CB-CD1 3.81Å; H41-L43 HydrophobicContact CB-CD2 4.2Å; H41-L43 HydrophobicContact CB-CG 3.63Å; H41-L43 WeakPolarHBondContact O-CD2 3.46Å; H41-L43 PolarHBondContact O-N 3.19Å; H41-L84 HydrophobicContact CB-CD1 4.33Å; H41-L84 WeakPolarHBondContact CD2-CD1 3.47Å
42M92.9Very high92Very high110 Ų11047.7 Ų47.754%0.54225%0.246SC..THydrogen-bonded Turntrans54.740.5-179.6-56.5-63.9147.500113.5E38 R39 F44E38-M42 CarbonylContact O-C 3.45Å; E38-M42 WeakPolarHBondContact O-CA 3.49Å; E38-M42 PolarHBondContact O-N 2.91Å; R39-M42 WeakPolarHBondContact O-CE 3.49Å; R39-M42 PolarHBondContact O-N 2.95Å; M42-F44 VanDerWaalsContact C-N 3.28Å; M42-F44 PolarHBondContact O-N 3.48Å; M42-F44 HydrophobicContact SD-CE2 3.7Å; M42-F44 HydrophobicContact SD-CZ 4.4Å
43L90.9Very high92.1Very high3 Ų346.6 Ų46.62%0.01623%0.233CC..  trans-90.628.6-174.2-57.2179.8000114F13 E38 H41 N45 I46 F48 L84F13-L43 HydrophobicContact CD1-CD2 3.66Å; F13-L43 HydrophobicContact CD2-CD1 4Å; F13-L43 HydrophobicContact CD2-CD2 4.27Å; F13-L43 HydrophobicContact CE1-CD2 3.31Å; F13-L43 HydrophobicContact CE2-CD1 4.09Å; F13-L43 HydrophobicContact CE2-CD2 3.95Å; F13-L43 HydrophobicContact CG-CD1 4.27Å; F13-L43 HydrophobicContact CG-CD2 4.13Å; F13-L43 HydrophobicContact CZ-CD1 4.45Å; F13-L43 HydrophobicContact CZ-CD2 3.46Å; F13-L43 VanDerWaalsContact CZ-CD2 3.46Å; E38-L43 HydrophobicContact CG-CB 4.37Å; E38-L43 PolarHBondContact O-N 2.86Å; H41-L43 VanDerWaalsContact C-N 3.29Å; H41-L43 HydrophobicContact CB-CD1 3.81Å; H41-L43 HydrophobicContact CB-CD2 4.2Å; H41-L43 HydrophobicContact CB-CG 3.63Å; H41-L43 WeakPolarHBondContact O-CD2 3.46Å; H41-L43 PolarHBondContact O-N 3.19Å; L43-N45 PolarHBondContact O-N 2.92Å; L43-I46 HydrophobicContact CB-CB 4.35Å; L43-I46 HydrophobicContact CD2-CD1 4.25Å; L43-I46 PolarHBondContact O-N 2.96Å; L43-F48 HydrophobicContact CB-CD1 4.01Å; L43-F48 HydrophobicContact CB-CE1 3.99Å; L43-F48 HydrophobicContact CD1-CD1 3.62Å; L43-F48 HydrophobicContact CD1-CE1 3.9Å; L43-F48 HydrophobicContact CD1-CG 4.01Å; L43-F48 HydrophobicContact CD1-CZ 4.48Å; L43-F48 HydrophobicContact CG-CD1 4.47Å; L43-L84 HydrophobicContact CD1-CD1 4.01Å
44F87.5Confident92Very high119 Ų11948.6 Ų48.652%0.52224%0.243SC..THydrogen-bonded Turntrans-56127.5179.4-53.9-72.8000110.5E38 R39 M42 I46E38-F44 HydrophobicContact CG-CD1 4.4Å; R39-F44 HydrophobicContact CG-CZ 4.49Å; M42-F44 VanDerWaalsContact C-N 3.28Å; M42-F44 PolarHBondContact O-N 3.48Å; M42-F44 HydrophobicContact SD-CE2 3.7Å; M42-F44 HydrophobicContact SD-CZ 4.4Å; F44-I46 PolarHBondContact O-N 3.49Å
45N85.5Confident91.7Very high164 Ų16450 Ų5088%0.87726%0.258SS*.THydrogen-bonded Turntrans65.610.6-175.2-57.6-37.1000116.4L43L43-N45 PolarHBondContact O-N 2.92Å
46I88.6Confident91.3Very high43 Ų4355.9 Ų55.922%0.22128%0.276CS..  trans-107.3107.4175.9-60.4169.8000107.7L43 F44 F48 R86L43-I46 HydrophobicContact CB-CB 4.35Å; L43-I46 HydrophobicContact CD2-CD1 4.25Å; L43-I46 PolarHBondContact O-N 2.96Å; F44-I46 PolarHBondContact O-N 3.49Å; I46-F48 VanDerWaalsContact O-CD1 3.3Å; I46-F48 WeakPolarHBondContact O-CD1 2.99Å; I46-F48 PolarHBondContact O-N 3.17Å; I46-R86 HydrophobicContact CG2-CG 3.73Å
47P89.7Confident90.9Very high71 Ų7159.5 Ų59.546%0.46130%0.296SS..  trans-67.5130.6176.327.3-33.1000110.2R86 K87P47-R86 WeakPolarHBondContact O-CA 3.43Å; P47-K87 HydrophobicContact CB-CB 4.1Å; P47-K87 HydrophobicContact CB-CD 3.95Å; P47-K87 HydrophobicContact CB-CG 4.08Å; P47-K87 HydrophobicContact CG-CB 4.31Å; P47-K87 PolarHBondContact O-N 2.86Å
48F92.5Very high90.5Very high2 Ų261.8 Ų61.81%0.00932%0.315CS..EExtended strand (participates in β ladder)trans-132.8164.7179.461.6-91.6000112.8Y34 L37 E38 L43 I46 I50 L84 Q85 K87Y34-F48 HydrophobicContact CD1-CE1 4.47Å; Y34-F48 AromaticContact CD1-CZ 3.91Å; Y34-F48 HydrophobicContact CD1-CZ 3.91Å; Y34-F48 AromaticContact CD2-CE2 3.79Å; Y34-F48 HydrophobicContact CD2-CE2 3.79Å; Y34-F48 AromaticContact CD2-CZ 3.97Å; Y34-F48 HydrophobicContact CD2-CZ 3.97Å; Y34-F48 AromaticContact CE1-CE1 3.72Å; Y34-F48 HydrophobicContact CE1-CE1 3.72Å; Y34-F48 HydrophobicContact CE1-CE2 4.3Å; Y34-F48 AromaticContact CE1-CZ 3.57Å; Y34-F48 HydrophobicContact CE1-CZ 3.57Å; Y34-F48 HydrophobicContact CE2-CD1 4.48Å; Y34-F48 AromaticContact CE2-CD2 3.86Å; Y34-F48 HydrophobicContact CE2-CD2 3.86Å; Y34-F48 HydrophobicContact CE2-CE1 4.15Å; Y34-F48 AromaticContact CE2-CE2 3.49Å; Y34-F48 HydrophobicContact CE2-CE2 3.49Å; Y34-F48 VanDerWaalsContact CE2-CE2 3.49Å; Y34-F48 HydrophobicContact CE2-CG 4.34Å; Y34-F48 AromaticContact CE2-CZ 3.64Å; Y34-F48 HydrophobicContact CE2-CZ 3.64Å; Y34-F48 HydrophobicContact CG-CE2 4.3Å; Y34-F48 HydrophobicContact CG-CZ 4.08Å; Y34-F48 AromaticContact CZ-CD1 3.95Å; Y34-F48 AromaticContact CZ-CE1 3.52Å; Y34-F48 AromaticContact CZ-CE2 3.77Å; Y34-F48 AromaticContact CZ-CZ 3.41Å; Y34-F48 VanDerWaalsContact CZ-CZ 3.41Å; Y34-F48 WeakPolarHBondContact OH-CD1 3Å; Y34-F48 WeakPolarHBondContact OH-CE1 3.21Å; Y34-F48 PolarHBondContact OH-N 3.31Å; L37-F48 HydrophobicContact CB-CE2 4.32Å; L37-F48 HydrophobicContact CB-CZ 4.32Å; E38-F48 HydrophobicContact CB-CE1 3.92Å; E38-F48 HydrophobicContact CB-CZ 4.02Å; E38-F48 HydrophobicContact CG-CE1 4.26Å; L43-F48 HydrophobicContact CB-CD1 4.01Å; L43-F48 HydrophobicContact CB-CE1 3.99Å; L43-F48 HydrophobicContact CD1-CD1 3.62Å; L43-F48 HydrophobicContact CD1-CE1 3.9Å; L43-F48 HydrophobicContact CD1-CG 4.01Å; L43-F48 HydrophobicContact CD1-CZ 4.48Å; L43-F48 HydrophobicContact CG-CD1 4.47Å; I46-F48 VanDerWaalsContact O-CD1 3.3Å; I46-F48 WeakPolarHBondContact O-CD1 2.99Å; I46-F48 PolarHBondContact O-N 3.17Å; F48-I50 HydrophobicContact CD2-CG1 3.93Å; F48-I50 HydrophobicContact CE2-CD1 3.99Å; F48-I50 HydrophobicContact CE2-CG1 3.71Å; F48-L84 HydrophobicContact CD2-CD2 4.08Å; F48-L84 HydrophobicContact CE2-CD2 4.15Å; F48-Q85 CarbonylContact C-O 3.01Å; F48-Q85 WeakPolarHBondContact CA-O 3.47Å; F48-Q85 VanDerWaalsContact CB-O 3.27Å; F48-Q85 WeakPolarHBondContact CB-O 3.31Å; F48-K87 WeakPolarHBondContact O-CE 3.41Å
49V91.7Very high90.2Very high33 Ų3363.1 Ų63.120%0.232%0.324CS..EExtended strand (participates in β ladder)trans-112.9140.5173.1-175.20000107.9L84 Q85 K87V49-L84 WeakPolarHBondContact O-CA 3.45Å; V49-Q85 PolarHBondContact N-O 2.96Å; V49-Q85 PolarHBondContact O-N 2.84Å; V49-Q85 VanDerWaalsContact O-N 3.08Å; V49-K87 HydrophobicContact CG2-CG 3.75Å
50I94.3Very high89.9Confident0 Ų060.9 Ų60.90%032%0.322CS..EExtended strand (participates in β ladder)trans-105.3128.6178.5-54.2169000108.1Y30 F33 Y34 L37 F48 I63 I82 L84Y30-I50 HydrophobicContact CE2-CD1 3.82Å; F33-I50 HydrophobicContact CD1-CD1 4.48Å; F33-I50 HydrophobicContact CE1-CG2 4.41Å; Y34-I50 HydrophobicContact CD2-CD1 3.58Å; Y34-I50 HydrophobicContact CD2-CG1 4.28Å; Y34-I50 HydrophobicContact CE2-CD1 4.4Å; Y34-I50 HydrophobicContact CG-CD1 4.23Å; L37-I50 HydrophobicContact CD1-CD1 3.58Å; L37-I50 HydrophobicContact CD1-CG1 3.96Å; L37-I50 HydrophobicContact CD1-CG2 4.05Å; F48-I50 HydrophobicContact CD2-CG1 3.93Å; F48-I50 HydrophobicContact CE2-CD1 3.99Å; F48-I50 HydrophobicContact CE2-CG1 3.71Å; I50-I63 HydrophobicContact CB-CB 4.17Å; I50-I63 HydrophobicContact CG2-CB 3.93Å; I50-I63 HydrophobicContact CG2-CD1 3.98Å; I50-I63 HydrophobicContact CG2-CG1 4.19Å; I50-I63 PolarHBondContact O-N 3.04Å; I50-I82 HydrophobicContact CG2-CG2 3.78Å; I50-L84 HydrophobicContact CB-CD2 4.31Å; I50-L84 HydrophobicContact CG1-CD2 3.85Å; I50-L84 HydrophobicContact CG2-CD2 4.18Å
51Q93.3Very high89.7Confident29 Ų2961.9 Ų61.914%0.13633%0.327CS..EExtended strand (participates in β ladder)trans-126.8152.2170.9-64.31691800109.4L61 I82 L83 Q85Q51-L61 CarbonylContact C-O 3.42Å; Q51-L61 WeakPolarHBondContact CA-O 3.45Å; Q51-I82 CarbonylContact O-C 3.6Å; Q51-I82 WeakPolarHBondContact O-CA 3.42Å; Q51-L83 HydrophobicContact CB-CB 4.42Å; Q51-L83 PolarHBondContact N-O 2.93Å; Q51-L83 PolarHBondContact O-N 2.82Å; Q51-Q85 VanDerWaalsContact NE2-OE1 3.11Å
52Y94Very high89.5Confident11 Ų1164.8 Ų64.84%0.04335%0.346CS..EExtended strand (participates in β ladder)trans-121.6154.1170.576.6-77.5000111.1E54 L60 L61 I63 A72 S75 R81Y52-E54 HydrophobicContact CE2-CB 4.05Å; Y52-E54 HydrophobicContact CE2-CG 4.49Å; Y52-L60 WeakPolarHBondContact O-CA 3.28Å; Y52-L61 HydrophobicContact CD1-CB 3.93Å; Y52-L61 VanDerWaalsContact CD1-O 3.28Å; Y52-L61 WeakPolarHBondContact CD1-O 3.37Å; Y52-L61 HydrophobicContact CE1-CB 3.43Å; Y52-L61 VanDerWaalsContact CE1-CB 3.43Å; Y52-L61 HydrophobicContact CE1-CD1 4.24Å; Y52-L61 HydrophobicContact CE1-CG 4.46Å; Y52-L61 HydrophobicContact CE2-CD1 4.41Å; Y52-L61 PolarHBondContact N-O 2.87Å; Y52-L61 PolarHBondContact O-N 3.35Å; Y52-L61 VanDerWaalsContact OH-CD1 3.3Å; Y52-L61 WeakPolarHBondContact OH-CD1 3.34Å; Y52-I63 HydrophobicContact CD1-CD1 3.97Å; Y52-I63 HydrophobicContact CD1-CG1 3.56Å; Y52-I63 HydrophobicContact CE1-CG1 4.33Å; Y52-I63 HydrophobicContact CG-CD1 4.31Å; Y52-I63 HydrophobicContact CG-CG1 4.35Å; Y52-A72 HydrophobicContact CD1-CB 3.6Å; Y52-A72 HydrophobicContact CD2-CB 3.85Å; Y52-A72 HydrophobicContact CE1-CB 3.77Å; Y52-A72 HydrophobicContact CE2-CB 4.05Å; Y52-A72 HydrophobicContact CG-CB 3.62Å; Y52-S75 WeakPolarHBondContact CE2-OG 3.28Å; Y52-R81 VanDerWaalsContact CA-O 3.26Å; Y52-R81 WeakPolarHBondContact CA-O 3.22Å
53V93.1Very high89.5Confident27 Ų2759.6 Ų59.616%0.16432%0.321CS..EExtended strand (participates in β ladder)trans-88.4117.8172-175.60000108.3P55 A58 D59 L60 R81V53-P55 WeakPolarHBondContact O-CD 2.94Å; V53-A58 HydrophobicContact CG1-CB 4.36Å; V53-D59 WeakPolarHBondContact CA-O 3.23Å; V53-L60 HydrophobicContact CG2-CD2 3.7Å; V53-R81 HydrophobicContact CB-CB 4.08Å; V53-R81 HydrophobicContact CG2-CB 4.05Å; V53-R81 PolarHBondContact N-O 3.12Å
54E89.5Confident89.5Confident43 Ų4362.9 Ų62.920%0.20134%0.344CS..  trans-71.9125.1174.4-173.2170.5-149.200110.5Y52 K56 A58 D59 L61Y52-E54 HydrophobicContact CE2-CB 4.05Å; Y52-E54 HydrophobicContact CE2-CG 4.49Å; E54-K56 PolarHBondContact O-N 3.05Å; E54-K56 VanDerWaalsContact O-N 3.14Å; E54-A58 VanDerWaalsContact O-CA 3.22Å; E54-A58 WeakPolarHBondContact O-CA 2.95Å; E54-A58 PolarHBondContact O-N 3.21Å; E54-D59 PolarHBondContact N-O 2.81Å; E54-L61 HydrophobicContact CB-CD1 4.02Å
55P87.6Confident89.7Confident76 Ų7660.1 Ų60.149%0.49433%0.334SS..THydrogen-bonded Turntrans-65.2-21.1-173.7-27.337.6000115.8V53 S75V53-P55 WeakPolarHBondContact O-CD 2.94Å; P55-S75 WeakPolarHBondContact CG-O 3.3Å
56K84.1Confident90Very high181 Ų18156 Ų5679%0.78731%0.313SS*.THydrogen-bonded Turntrans-78-46.4-176.1-68.5-176.6179.1179.30112.9E54E54-K56 PolarHBondContact O-N 3.05Å; E54-K56 VanDerWaalsContact O-N 3.14Å
57N84.4Confident90.1Very high108 Ų10861.6 Ų61.658%0.57834%0.335SS*.THydrogen-bonded Turntrans-113-8.2-172.8-62.9-2.9000113D59N57-D59 HydrophobicContact CB-CB 4.34Å; N57-D59 WeakPolarHBondContact CB-OD2 3.2Å; N57-D59 PolarHBondContact ND2-OD2 3.33Å; N57-D59 PolarHBondContact O-N 3.36Å
58A84.6Confident90.1Very high49 Ų4960.3 Ų60.341%0.40532%0.324SS..  trans60.321.4-167.300000114.2V53 E54V53-A58 HydrophobicContact CG1-CB 4.36Å; E54-A58 VanDerWaalsContact O-CA 3.22Å; E54-A58 WeakPolarHBondContact O-CA 2.95Å; E54-A58 PolarHBondContact O-N 3.21Å
59D87.4Confident90.1Very high77 Ų7760.7 Ų60.741%0.41233%0.326SS..  trans-70.8140.1177.7-70.1-32.2000111.2V53 E54 N57 L61V53-D59 WeakPolarHBondContact CA-O 3.23Å; E54-D59 PolarHBondContact N-O 2.81Å; N57-D59 HydrophobicContact CB-CB 4.34Å; N57-D59 WeakPolarHBondContact CB-OD2 3.2Å; N57-D59 PolarHBondContact ND2-OD2 3.33Å; N57-D59 PolarHBondContact O-N 3.36Å; D59-L61 HydrophobicContact CB-CD2 4.45Å; D59-L61 HydrophobicContact CB-CG 4.36Å
60L89.1Confident90Very high93 Ų9364.9 Ų64.949%0.48734%0.344SS..EExtended strand (participates in β ladder)trans-87.2109.3172.9-75.2170.7000110Y52 V53 L83Y52-L60 WeakPolarHBondContact O-CA 3.28Å; V53-L60 HydrophobicContact CG2-CD2 3.7Å; L60-L83 HydrophobicContact CD1-CD2 4.32Å; L60-L83 HydrophobicContact CD2-CD2 4.32Å
61L88.2Confident89.8Confident55 Ų5569.9 Ų69.929%0.28837%0.37SS..EExtended strand (participates in β ladder)trans-113.1136.1-175.3-64.3178.9000111.4Q51 Y52 E54 D59Q51-L61 CarbonylContact C-O 3.42Å; Q51-L61 WeakPolarHBondContact CA-O 3.45Å; Y52-L61 HydrophobicContact CD1-CB 3.93Å; Y52-L61 VanDerWaalsContact CD1-O 3.28Å; Y52-L61 WeakPolarHBondContact CD1-O 3.37Å; Y52-L61 HydrophobicContact CE1-CB 3.43Å; Y52-L61 VanDerWaalsContact CE1-CB 3.43Å; Y52-L61 HydrophobicContact CE1-CD1 4.24Å; Y52-L61 HydrophobicContact CE1-CG 4.46Å; Y52-L61 HydrophobicContact CE2-CD1 4.41Å; Y52-L61 PolarHBondContact N-O 2.87Å; Y52-L61 PolarHBondContact O-N 3.35Å; Y52-L61 VanDerWaalsContact OH-CD1 3.3Å; Y52-L61 WeakPolarHBondContact OH-CD1 3.34Å; E54-L61 HydrophobicContact CB-CD1 4.02Å; D59-L61 HydrophobicContact CB-CD2 4.45Å; D59-L61 HydrophobicContact CB-CG 4.36Å
62P91.2Very high89.7Confident66 Ų6668.5 Ų68.543%0.42936%0.363SS..EExtended strand (participates in β ladder)trans-75132.9-177.629.6-34.2000112.1N68P62-N68 PolarHBondContact O-ND2 3.3Å
63I92.2Very high89.5Confident2 Ų268.5 Ų68.51%0.0136%0.364CS..EExtended strand (participates in β ladder)trans-95.7100.3165.6-50.6-175000107.7Y30 I50 Y52 F69 A72Y30-I63 HydrophobicContact CD2-CG2 3.55Å; Y30-I63 HydrophobicContact CE2-CB 4.25Å; Y30-I63 HydrophobicContact CE2-CG2 3.63Å; Y30-I63 WeakPolarHBondContact CE2-O 3.45Å; Y30-I63 PolarHBondContact OH-O 3.46Å; Y30-I63 VanDerWaalsContact OH-O 3.05Å; I50-I63 HydrophobicContact CB-CB 4.17Å; I50-I63 HydrophobicContact CG2-CB 3.93Å; I50-I63 HydrophobicContact CG2-CD1 3.98Å; I50-I63 HydrophobicContact CG2-CG1 4.19Å; I50-I63 PolarHBondContact O-N 3.04Å; Y52-I63 HydrophobicContact CD1-CD1 3.97Å; Y52-I63 HydrophobicContact CD1-CG1 3.56Å; Y52-I63 HydrophobicContact CE1-CG1 4.33Å; Y52-I63 HydrophobicContact CG-CD1 4.31Å; Y52-I63 HydrophobicContact CG-CG1 4.35Å; I63-F69 HydrophobicContact CG2-CB 3.75Å; I63-F69 HydrophobicContact CG2-CD2 4.22Å; I63-F69 HydrophobicContact CG2-CG 4.5Å; I63-A72 HydrophobicContact CD1-CB 3.65Å; I63-A72 HydrophobicContact CG1-CB 4.22Å
64S90Very high89.2Confident71 Ų7170 Ų7050%0.49737%0.371SS..  trans-121.8-9.5-178.8600000114.2
65N91.9Very high89.1Confident61 Ų6169.6 Ų69.633%0.32637%0.373SS..SBendtrans-151.5169.6-176.666.551.3000110.4K67 N68 F69N65-K67 VanDerWaalsContact C-N 3.29Å; N65-K67 PolarHBondContact O-N 3.07Å; N65-K67 WeakPolarHBondContact OD1-CA 3.44Å; N65-K67 WeakPolarHBondContact OD1-CB 3.44Å; N65-K67 PolarHBondContact OD1-N 3.31Å; N65-N68 PolarHBondContact ND2-OD1 2.88Å; N65-N68 PolarHBondContact O-N 2.95Å; N65-N68 PolarHBondContact OD1-N 3.28Å; N65-N68 PolarHBondContact OD1-OD1 3.06Å; N65-F69 PolarHBondContact O-N 2.96Å; N65-F69 VanDerWaalsContact O-N 3.07Å
66N92.5Very high88.7Confident79 Ų7966 Ų6642%0.42235%0.35SS..Hα-helixtrans-59.9-35.9-179.1-67.5-12.9000113.1Y30 F69 E70Y30-N66 WeakPolarHBondContact CB-OD1 3.41Å; Y30-N66 PolarHBondContact N-OD1 3.32Å; N66-F69 PolarHBondContact O-N 3.45Å; N66-E70 WeakPolarHBondContact O-CB 3.3Å; N66-E70 PolarHBondContact O-N 2.94Å
67K89.9Confident88.6Confident160 Ų16064.8 Ų64.870%0.69635%0.345SS*.Hα-helixtrans-66.1-45.6179.9-62.6-178.5177.6-178.70111.3N65 F69 E70 L71N65-K67 VanDerWaalsContact C-N 3.29Å; N65-K67 PolarHBondContact O-N 3.07Å; N65-K67 WeakPolarHBondContact OD1-CA 3.44Å; N65-K67 WeakPolarHBondContact OD1-CB 3.44Å; N65-K67 PolarHBondContact OD1-N 3.31Å; K67-F69 VanDerWaalsContact C-N 3.29Å; K67-F69 PolarHBondContact O-N 2.75Å; K67-E70 PolarHBondContact O-N 3.08Å; K67-L71 VanDerWaalsContact O-CG 3.31Å; K67-L71 WeakPolarHBondContact O-CG 3.29Å; K67-L71 PolarHBondContact O-N 3.38Å
68N90.9Very high88.4Confident43 Ų4364.2 Ų64.223%0.2335%0.347CS..Hα-helixtrans-65.8-36178-66.615.1000111P62 N65 L71 A72P62-N68 PolarHBondContact O-ND2 3.3Å; N65-N68 PolarHBondContact ND2-OD1 2.88Å; N65-N68 PolarHBondContact O-N 2.95Å; N65-N68 PolarHBondContact OD1-N 3.28Å; N65-N68 PolarHBondContact OD1-OD1 3.06Å; N68-L71 PolarHBondContact O-N 3Å; N68-A72 WeakPolarHBondContact O-CB 3.48Å; N68-A72 PolarHBondContact O-N 2.94Å
69F91.9Very high88.7Confident10 Ų1063.3 Ų63.34%0.04434%0.335CS..Hα-helixtrans-64.6-46.8174.9176.8-103.4000111.8F22 T27 F33 I63 N65 N66 K67 L71 A72 V73F22-F69 HydrophobicContact CE2-CZ 4.3Å; F22-F69 HydrophobicContact CZ-CE2 4.45Å; F22-F69 HydrophobicContact CZ-CZ 4.05Å; T27-F69 WeakPolarHBondContact O-CE1 3.35Å; F33-F69 HydrophobicContact CB-CD2 4.19Å; F33-F69 HydrophobicContact CB-CE2 3.74Å; F33-F69 HydrophobicContact CB-CZ 4.07Å; F33-F69 AromaticContact CD1-CD2 3.7Å; F33-F69 HydrophobicContact CD1-CD2 3.7Å; F33-F69 AromaticContact CD1-CE2 3.45Å; F33-F69 HydrophobicContact CD1-CE2 3.45Å; F33-F69 VanDerWaalsContact CD1-CE2 3.45Å; F33-F69 AromaticContact CD2-CE2 3.55Å; F33-F69 HydrophobicContact CD2-CE2 3.55Å; F33-F69 AromaticContact CD2-CZ 3.97Å; F33-F69 HydrophobicContact CD2-CZ 3.97Å; F33-F69 HydrophobicContact CE1-CD2 4.26Å; F33-F69 AromaticContact CE1-CE2 3.91Å; F33-F69 HydrophobicContact CE1-CE2 3.91Å; F33-F69 HydrophobicContact CE2-CE2 4.04Å; F33-F69 AromaticContact CG-CD2 3.88Å; F33-F69 HydrophobicContact CG-CD2 3.88Å; F33-F69 AromaticContact CG-CE2 3.26Å; F33-F69 HydrophobicContact CG-CE2 3.26Å; F33-F69 AromaticContact CG-CZ 3.92Å; F33-F69 HydrophobicContact CG-CZ 3.92Å; F33-F69 HydrophobicContact CZ-CE2 4.2Å; I63-F69 HydrophobicContact CG2-CB 3.75Å; I63-F69 HydrophobicContact CG2-CD2 4.22Å; I63-F69 HydrophobicContact CG2-CG 4.5Å; N65-F69 PolarHBondContact O-N 2.96Å; N65-F69 VanDerWaalsContact O-N 3.07Å; N66-F69 PolarHBondContact O-N 3.45Å; K67-F69 VanDerWaalsContact C-N 3.29Å; K67-F69 PolarHBondContact O-N 2.75Å; F69-L71 VanDerWaalsContact C-N 3.33Å; F69-L71 PolarHBondContact O-N 3.31Å; F69-A72 WeakPolarHBondContact O-CB 3.43Å; F69-A72 PolarHBondContact O-N 3.3Å; F69-V73 HydrophobicContact CD2-CG2 4.39Å; F69-V73 HydrophobicContact CE1-CG2 3.99Å; F69-V73 HydrophobicContact CE2-CG2 3.87Å; F69-V73 HydrophobicContact CZ-CG2 3.67Å; F69-V73 WeakPolarHBondContact O-CG2 3.46Å; F69-V73 PolarHBondContact O-N 3.13Å
70E90Very high88.9Confident122 Ų12259.7 Ų59.757%0.5732%0.316SS*.Hα-helixtrans-60.3-42.5175.4-178.3177.7-16900111.8N66 K67 V73 N74N66-E70 WeakPolarHBondContact O-CB 3.3Å; N66-E70 PolarHBondContact O-N 2.94Å; K67-E70 PolarHBondContact O-N 3.08Å; E70-V73 PolarHBondContact O-N 3.14Å; E70-N74 WeakPolarHBondContact CG-ND2 3.02Å; E70-N74 VanDerWaalsContact O-CB 3.3Å; E70-N74 WeakPolarHBondContact O-CB 2.97Å; E70-N74 VanDerWaalsContact O-CG 3.31Å; E70-N74 PolarHBondContact O-N 2.96Å; E70-N74 PolarHBondContact O-ND2 2.84Å; E70-N74 VanDerWaalsContact O-ND2 3.12Å
71L89.6Confident89.2Confident104 Ų10459.5 Ų59.555%0.54531%0.309SS..Hα-helixtrans-60.7-45174-72.8171.2000111.9K67 N68 F69 N74 S75K67-L71 VanDerWaalsContact O-CG 3.31Å; K67-L71 WeakPolarHBondContact O-CG 3.29Å; K67-L71 PolarHBondContact O-N 3.38Å; N68-L71 PolarHBondContact O-N 3Å; F69-L71 VanDerWaalsContact C-N 3.33Å; F69-L71 PolarHBondContact O-N 3.31Å; L71-N74 PolarHBondContact O-N 2.88Å; L71-S75 WeakPolarHBondContact O-CB 3.4Å; L71-S75 PolarHBondContact O-N 3.46Å; L71-S75 PolarHBondContact O-OG 3.47Å
72A90.8Very high89.5Confident0 Ų057.1 Ų57.10%030%0.296CS..Hα-helixtrans-58.6-51.7178.300000111.2Y52 I63 N68 F69 N74 S75 S76 L80Y52-A72 HydrophobicContact CD1-CB 3.6Å; Y52-A72 HydrophobicContact CD2-CB 3.85Å; Y52-A72 HydrophobicContact CE1-CB 3.77Å; Y52-A72 HydrophobicContact CE2-CB 4.05Å; Y52-A72 HydrophobicContact CG-CB 3.62Å; I63-A72 HydrophobicContact CD1-CB 3.65Å; I63-A72 HydrophobicContact CG1-CB 4.22Å; N68-A72 WeakPolarHBondContact O-CB 3.48Å; N68-A72 PolarHBondContact O-N 2.94Å; F69-A72 WeakPolarHBondContact O-CB 3.43Å; F69-A72 PolarHBondContact O-N 3.3Å; A72-N74 PolarHBondContact O-N 2.99Å; A72-S75 PolarHBondContact O-N 2.76Å; A72-S75 PolarHBondContact O-OG 3.44Å; A72-S76 WeakPolarHBondContact O-CB 3.48Å; A72-S76 PolarHBondContact O-N 2.8Å; A72-S76 PolarHBondContact O-OG 2.84Å; A72-S76 VanDerWaalsContact O-OG 3.07Å; A72-L80 HydrophobicContact CB-CD1 4.07Å
73V90.2Very high89.6Confident11 Ų1155.6 Ų55.67%0.06728%0.284CS..Hα-helixtrans-61.7-40.9179.2171.50000112.5V7 F22 A24 F69 E70 S76 L80V7-V73 HydrophobicContact CG2-CG1 3.79Å; F22-V73 HydrophobicContact CE2-CG2 4.5Å; F22-V73 HydrophobicContact CZ-CG2 4.13Å; A24-V73 HydrophobicContact CB-CG1 4.35Å; F69-V73 HydrophobicContact CD2-CG2 4.39Å; F69-V73 HydrophobicContact CE1-CG2 3.99Å; F69-V73 HydrophobicContact CE2-CG2 3.87Å; F69-V73 HydrophobicContact CZ-CG2 3.67Å; F69-V73 WeakPolarHBondContact O-CG2 3.46Å; F69-V73 PolarHBondContact O-N 3.13Å; E70-V73 PolarHBondContact O-N 3.14Å; V73-S76 PolarHBondContact O-OG 3Å; V73-L80 HydrophobicContact CG2-CD2 4.31Å
74N88Confident89.7Confident59 Ų5955.5 Ų55.532%0.31628%0.284SS..Hα-helixtrans-70.6-36.1178.7-77.1-36.1000112.4N2 E70 L71 A72N2-N74 PolarHBondContact ND2-OD1 2.91Å; E70-N74 WeakPolarHBondContact CG-ND2 3.02Å; E70-N74 VanDerWaalsContact O-CB 3.3Å; E70-N74 WeakPolarHBondContact O-CB 2.97Å; E70-N74 VanDerWaalsContact O-CG 3.31Å; E70-N74 PolarHBondContact O-N 2.96Å; E70-N74 PolarHBondContact O-ND2 2.84Å; E70-N74 VanDerWaalsContact O-ND2 3.12Å; L71-N74 PolarHBondContact O-N 2.88Å; A72-N74 PolarHBondContact O-N 2.99Å
75S86.6Confident89.7Confident34 Ų3454.9 Ų54.924%0.23827%0.273CS..Hα-helixtrans-72.8-37.8179.373.60000112.6Y52 P55 L71 A72 K77Y52-S75 WeakPolarHBondContact CE2-OG 3.28Å; P55-S75 WeakPolarHBondContact CG-O 3.3Å; L71-S75 WeakPolarHBondContact O-CB 3.4Å; L71-S75 PolarHBondContact O-N 3.46Å; L71-S75 PolarHBondContact O-OG 3.47Å; A72-S75 PolarHBondContact O-N 2.76Å; A72-S75 PolarHBondContact O-OG 3.44Å; S75-K77 PolarHBondContact O-N 3.49Å
76S79.6Confident89.6Confident2 Ų256.6 Ų56.61%0.01428%0.275CS..  trans-71.2111.6-178.2540000111.4R5 A72 V73 L80R5-S76 PolarHBondContact NH2-O 2.9Å; A72-S76 WeakPolarHBondContact O-CB 3.48Å; A72-S76 PolarHBondContact O-N 2.8Å; A72-S76 PolarHBondContact O-OG 2.84Å; A72-S76 VanDerWaalsContact O-OG 3.07Å; V73-S76 PolarHBondContact O-OG 3Å; S76-L80 VanDerWaalsContact CB-CA 3.49Å
77K80.8Confident89.2Confident154 Ų15458.5 Ų58.567%0.6728%0.28SS*.SBendtrans-140.7109.8176-76.9174-176-174.90109.5S75S75-K77 PolarHBondContact O-N 3.49Å
78P80.9Confident88.5Confident96 Ų9653 Ų5362%0.62327%0.268SS*.SBendcis-86.7-20-3.634-33.8000114.3
79L90.1Very high87.6Confident31 Ų3156.2 Ų56.216%0.16228%0.282CS..EExtended strand (participates in β ladder)trans-105.6126.1-166.3-174.470.4000112.3E8 K10 R81E8-L79 HydrophobicContact CB-CD1 3.85Å; K10-L79 HydrophobicContact CB-CD1 4.12Å; K10-L79 HydrophobicContact CB-CD2 4.15Å; K10-L79 HydrophobicContact CB-CG 4.38Å; L79-R81 HydrophobicContact CD2-CG 4.02Å; L79-R81 HydrophobicContact CG-CG 4.25Å
80L92.8Very high86.3Confident1 Ų156 Ų561%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-87.3108.1169.4-178.758.1000109.5V7 E8 V9 K10 A72 V73 S76 I82V7-L80 HydrophobicContact CG1-CB 4.01Å; V7-L80 HydrophobicContact CG1-CD2 4.32Å; E8-L80 PolarHBondContact O-N 3.19Å; V9-L80 WeakPolarHBondContact CA-O 3.46Å; V9-L80 HydrophobicContact CG2-CB 4.36Å; V9-L80 HydrophobicContact CG2-CD2 4.37Å; K10-L80 PolarHBondContact N-O 3.17Å; A72-L80 HydrophobicContact CB-CD1 4.07Å; V73-L80 HydrophobicContact CG2-CD2 4.31Å; S76-L80 VanDerWaalsContact CB-CA 3.49Å; L80-I82 HydrophobicContact CD1-CG1 4.42Å; L80-I82 HydrophobicContact CD2-CD1 3.87Å; L80-I82 HydrophobicContact CD2-CG1 4.33Å; L80-I82 HydrophobicContact CG-CD1 3.94Å; L80-I82 HydrophobicContact CG-CG1 3.85Å
81R94.6Very high84.9Confident88 Ų8858.5 Ų58.533%0.33229%0.287SS..EExtended strand (participates in β ladder)trans-91.6120.2177.5-64.8-178.1-177.1-135-1.4109.5K10 Y52 V53 L79 M344K10-R81 WeakPolarHBondContact O-CA 3.41Å; Y52-R81 VanDerWaalsContact CA-O 3.26Å; Y52-R81 WeakPolarHBondContact CA-O 3.22Å; V53-R81 HydrophobicContact CB-CB 4.08Å; V53-R81 HydrophobicContact CG2-CB 4.05Å; V53-R81 PolarHBondContact N-O 3.12Å; L79-R81 HydrophobicContact CD2-CG 4.02Å; L79-R81 HydrophobicContact CG-CG 4.25Å; R81-M344 PolarHBondContact NH1-SD 2.72Å
82I94.9Very high83.6Confident5 Ų554.2 Ų54.23%0.02627%0.268CS..EExtended strand (participates in β ladder)trans-120.1137-174-59.8-175.9000110.3V9 K10 S11 K12 F33 L37 I50 Q51 L80 L84V9-I82 HydrophobicContact CG1-CD1 3.57Å; V9-I82 HydrophobicContact CG1-CG1 4.03Å; K10-I82 PolarHBondContact O-N 2.96Å; S11-I82 WeakPolarHBondContact CA-O 3Å; K12-I82 PolarHBondContact N-O 3.47Å; F33-I82 HydrophobicContact CE1-CD1 3.63Å; F33-I82 HydrophobicContact CE2-CD1 4.44Å; F33-I82 HydrophobicContact CZ-CD1 3.24Å; L37-I82 HydrophobicContact CD1-CG2 4.47Å; I50-I82 HydrophobicContact CG2-CG2 3.78Å; Q51-I82 CarbonylContact O-C 3.6Å; Q51-I82 WeakPolarHBondContact O-CA 3.42Å; L80-I82 HydrophobicContact CD1-CG1 4.42Å; L80-I82 HydrophobicContact CD2-CD1 3.87Å; L80-I82 HydrophobicContact CD2-CG1 4.33Å; L80-I82 HydrophobicContact CG-CD1 3.94Å; L80-I82 HydrophobicContact CG-CG1 3.85Å; I82-L84 HydrophobicContact CG2-CD2 3.77Å; I82-L84 HydrophobicContact CG2-CG 4.37Å
83L94.2Very high82.2Confident34 Ų3458 Ų5818%0.17829%0.286CS..EExtended strand (participates in β ladder)trans-114.8123.3171.6-176.465.8000109.3K12 Q51 L60 Q85K12-L83 HydrophobicContact CB-CD1 4.17Å; K12-L83 HydrophobicContact CD-CD1 4Å; K12-L83 HydrophobicContact CG-CD1 4.21Å; Q51-L83 HydrophobicContact CB-CB 4.42Å; Q51-L83 PolarHBondContact N-O 2.93Å; Q51-L83 PolarHBondContact O-N 2.82Å; L60-L83 HydrophobicContact CD1-CD2 4.32Å; L60-L83 HydrophobicContact CD2-CD2 4.32Å; L83-Q85 HydrophobicContact CD2-CG 4.27Å; L83-Q85 HydrophobicContact CG-CG 4.14Å
84L94Very high80.7Confident1 Ų161.1 Ų61.11%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-101.9128172.3-54.3-175.8000108.9K12 F13 L37 H41 L43 F48 V49 I50 I82K12-L84 WeakPolarHBondContact O-CB 3.26Å; K12-L84 PolarHBondContact O-N 3.14Å; F13-L84 HydrophobicContact CB-CB 4.1Å; F13-L84 HydrophobicContact CB-CD1 4.37Å; F13-L84 HydrophobicContact CD2-CB 3.77Å; F13-L84 HydrophobicContact CG-CB 4.4Å; L37-L84 HydrophobicContact CB-CD1 4.33Å; L37-L84 HydrophobicContact CD1-CD2 3.82Å; L37-L84 HydrophobicContact CD2-CD1 4.26Å; L37-L84 HydrophobicContact CD2-CD2 4.39Å; H41-L84 HydrophobicContact CB-CD1 4.33Å; H41-L84 WeakPolarHBondContact CD2-CD1 3.47Å; L43-L84 HydrophobicContact CD1-CD1 4.01Å; F48-L84 HydrophobicContact CD2-CD2 4.08Å; F48-L84 HydrophobicContact CE2-CD2 4.15Å; V49-L84 WeakPolarHBondContact O-CA 3.45Å; I50-L84 HydrophobicContact CB-CD2 4.31Å; I50-L84 HydrophobicContact CG1-CD2 3.85Å; I50-L84 HydrophobicContact CG2-CD2 4.18Å; I82-L84 HydrophobicContact CG2-CD2 3.77Å; I82-L84 HydrophobicContact CG2-CG 4.37Å
85Q90.4Very high79.2Confident58 Ų5863.8 Ų63.827%0.27131%0.308SS..EExtended strand (participates in β ladder)trans-126.6137.2175.9-67.8-176.9-37.200109.1F48 V49 Q51 L83 K87F48-Q85 CarbonylContact C-O 3.01Å; F48-Q85 WeakPolarHBondContact CA-O 3.47Å; F48-Q85 VanDerWaalsContact CB-O 3.27Å; F48-Q85 WeakPolarHBondContact CB-O 3.31Å; V49-Q85 PolarHBondContact N-O 2.96Å; V49-Q85 PolarHBondContact O-N 2.84Å; V49-Q85 VanDerWaalsContact O-N 3.08Å; Q51-Q85 VanDerWaalsContact NE2-OE1 3.11Å; L83-Q85 HydrophobicContact CD2-CG 4.27Å; L83-Q85 HydrophobicContact CG-CG 4.14Å; Q85-K87 PolarHBondContact O-N 2.66Å
86R89.6Confident77.6Confident96 Ų9664 Ų6436%0.36232%0.316SS..EExtended strand (participates in β ladder)trans-62.7140.2172.8-64176.8139.4173.4-2.9109.5F13 I46 P47 G88 E89F13-R86 HydrophobicContact CE2-CG 3.69Å; F13-R86 HydrophobicContact CZ-CG 3.69Å; I46-R86 HydrophobicContact CG2-CG 3.73Å; P47-R86 WeakPolarHBondContact O-CA 3.43Å; R86-G88 PolarHBondContact O-N 2.67Å; R86-E89 HydrophobicContact CB-CB 4.14Å; R86-E89 HydrophobicContact CB-CG 3.87Å; R86-E89 WeakPolarHBondContact CB-OE2 3.34Å; R86-E89 WeakPolarHBondContact CD-OE1 3.44Å; R86-E89 WeakPolarHBondContact CD-OE2 3.26Å; R86-E89 IonicContact NH1-OE1 2.67Å; R86-E89 PolarHBondContact NH1-OE1 3.12Å; R86-E89 PolarHBondContact O-N 2.91Å
87K83.8Confident76.4Confident119 Ų11972.3 Ų72.352%0.51735%0.348SS..THydrogen-bonded Turntrans-60130.1173.2-72.5-165.1-172.1172.30109.1P47 F48 V49 Q85 E89P47-K87 HydrophobicContact CB-CB 4.1Å; P47-K87 HydrophobicContact CB-CD 3.95Å; P47-K87 HydrophobicContact CB-CG 4.08Å; P47-K87 HydrophobicContact CG-CB 4.31Å; P47-K87 PolarHBondContact O-N 2.86Å; F48-K87 WeakPolarHBondContact O-CE 3.41Å; V49-K87 HydrophobicContact CG2-CG 3.75Å; Q85-K87 PolarHBondContact O-N 2.66Å; K87-E89 VanDerWaalsContact C-N 3.34Å
88G75.2Confident74.8Confident45 Ų4573.7 Ų73.746%0.46435%0.354SS..THydrogen-bonded Turntrans86.8-3.7-176.900000114.6R86 E93 I94R86-G88 PolarHBondContact O-N 2.67Å; G88-E93 PolarHBondContact N-OE2 2.98Å; G88-I94 WeakPolarHBondContact O-CG1 3.5Å
89E71Confident73.2Confident111 Ų11174.8 Ų74.852%0.51936%0.359SS..THydrogen-bonded Turntrans-99.7-14.4174.3-69.7-176179.500113R86 K87 I94R86-E89 HydrophobicContact CB-CB 4.14Å; R86-E89 HydrophobicContact CB-CG 3.87Å; R86-E89 WeakPolarHBondContact CB-OE2 3.34Å; R86-E89 WeakPolarHBondContact CD-OE1 3.44Å; R86-E89 WeakPolarHBondContact CD-OE2 3.26Å; R86-E89 IonicContact NH1-OE1 2.67Å; R86-E89 PolarHBondContact NH1-OE1 3.12Å; R86-E89 PolarHBondContact O-N 2.91Å; K87-E89 VanDerWaalsContact C-N 3.34Å; E89-I94 VanDerWaalsContact O-CD1 3.29Å; E89-I94 WeakPolarHBondContact O-CD1 3.19Å
90S64.5Low71.1Confident5 Ų579.1 Ų79.14%0.03539%0.392CS..SBendtrans-68.6141.5178.772.40000110.8G92 E93 I94S90-G92 PolarHBondContact O-N 3.03Å; S90-E93 PolarHBondContact O-N 2.71Å; S90-E93 VanDerWaalsContact OG-CB 3.29Å; S90-E93 WeakPolarHBondContact OG-CB 3.22Å; S90-E93 WeakPolarHBondContact OG-CG 3.45Å; S90-E93 PolarHBondContact OG-N 2.83Å; S90-E93 PolarHBondContact OG-OE2 3.01Å; S90-I94 WeakPolarHBondContact O-CG1 3.46Å; S90-I94 PolarHBondContact O-N 2.88Å
91Y61.6Low68.9Low175 Ų17587.5 Ų87.569%0.68643%0.428SS*.Hα-helixtrans-53.7-40.1-179.8-169.3-87.8000111.5E93 I94 Y95Y91-E93 PolarHBondContact O-N 3.42Å; Y91-I94 PolarHBondContact O-N 2.87Å; Y91-Y95 AromaticContact CD1-CD2 3.9Å; Y91-Y95 HydrophobicContact CD1-CD2 3.9Å; Y91-Y95 HydrophobicContact CD1-CG 4.47Å; Y91-Y95 AromaticContact CD2-CD2 3.38Å; Y91-Y95 HydrophobicContact CD2-CD2 3.38Å; Y91-Y95 AromaticContact CD2-CE2 3.44Å; Y91-Y95 HydrophobicContact CD2-CE2 3.44Å; Y91-Y95 VanDerWaalsContact CD2-CE2 3.44Å; Y91-Y95 HydrophobicContact CD2-CG 4.46Å; Y91-Y95 AromaticContact CE1-CD2 3.98Å; Y91-Y95 HydrophobicContact CE1-CD2 3.98Å; Y91-Y95 HydrophobicContact CE1-CG 4.25Å; Y91-Y95 AromaticContact CE2-CD2 3.47Å; Y91-Y95 HydrophobicContact CE2-CD2 3.47Å; Y91-Y95 VanDerWaalsContact CE2-CD2 3.47Å; Y91-Y95 AromaticContact CE2-CE2 3.49Å; Y91-Y95 HydrophobicContact CE2-CE2 3.49Å; Y91-Y95 VanDerWaalsContact CE2-CE2 3.49Å; Y91-Y95 HydrophobicContact CE2-CG 4.24Å; Y91-Y95 AromaticContact CG-CD2 3.6Å; Y91-Y95 HydrophobicContact CG-CD2 3.6Å; Y91-Y95 HydrophobicContact CG-CE2 4.11Å; Y91-Y95 AromaticContact CZ-CD2 3.78Å; Y91-Y95 VanDerWaalsContact O-CB 3.26Å; Y91-Y95 WeakPolarHBondContact O-CB 3.22Å; Y91-Y95 VanDerWaalsContact O-CD2 3.23Å; Y91-Y95 WeakPolarHBondContact O-CD2 3.45Å; Y91-Y95 PolarHBondContact O-N 3.16Å
92G62.2Low66.2Low14 Ų1493.5 Ų93.514%0.14446%0.46CS..Hα-helixtrans-66.3-32.9175.800000114.7S90 G96 Y97S90-G92 PolarHBondContact O-N 3.03Å; G92-G96 CarbonylContact O-C 3.45Å; G92-G96 WeakPolarHBondContact O-CA 3.44Å; G92-G96 PolarHBondContact O-N 2.83Å; G92-Y97 PolarHBondContact O-N 3.47Å
93E60.8Low63.6Low78 Ų7896 Ų9636%0.36449%0.487SS..Hα-helixtrans-79.4-35.4175.9-71.9169151.200112.2G88 S90 Y91G88-E93 PolarHBondContact N-OE2 2.98Å; S90-E93 PolarHBondContact O-N 2.71Å; S90-E93 VanDerWaalsContact OG-CB 3.29Å; S90-E93 WeakPolarHBondContact OG-CB 3.22Å; S90-E93 WeakPolarHBondContact OG-CG 3.45Å; S90-E93 PolarHBondContact OG-N 2.83Å; S90-E93 PolarHBondContact OG-OE2 3.01Å; Y91-E93 PolarHBondContact O-N 3.42Å
94I58.2Low61.1Low77 Ų77102.5 Ų102.540%0.39552%0.521SS..Hα-helixtrans-74.7-41.2177.9-61.6170.4000111.6G88 E89 S90 Y91G88-I94 WeakPolarHBondContact O-CG1 3.5Å; E89-I94 VanDerWaalsContact O-CD1 3.29Å; E89-I94 WeakPolarHBondContact O-CD1 3.19Å; S90-I94 WeakPolarHBondContact O-CG1 3.46Å; S90-I94 PolarHBondContact O-N 2.88Å; Y91-I94 PolarHBondContact O-N 2.87Å
95Y56.8Low58.8Low116 Ų116109.9 Ų109.946%0.45556%0.559SS.*Hα-helixtrans-105.3-3.4-172-60.9-77.9000113.6Y91Y91-Y95 AromaticContact CD1-CD2 3.9Å; Y91-Y95 HydrophobicContact CD1-CD2 3.9Å; Y91-Y95 HydrophobicContact CD1-CG 4.47Å; Y91-Y95 AromaticContact CD2-CD2 3.38Å; Y91-Y95 HydrophobicContact CD2-CD2 3.38Å; Y91-Y95 AromaticContact CD2-CE2 3.44Å; Y91-Y95 HydrophobicContact CD2-CE2 3.44Å; Y91-Y95 VanDerWaalsContact CD2-CE2 3.44Å; Y91-Y95 HydrophobicContact CD2-CG 4.46Å; Y91-Y95 AromaticContact CE1-CD2 3.98Å; Y91-Y95 HydrophobicContact CE1-CD2 3.98Å; Y91-Y95 HydrophobicContact CE1-CG 4.25Å; Y91-Y95 AromaticContact CE2-CD2 3.47Å; Y91-Y95 HydrophobicContact CE2-CD2 3.47Å; Y91-Y95 VanDerWaalsContact CE2-CD2 3.47Å; Y91-Y95 AromaticContact CE2-CE2 3.49Å; Y91-Y95 HydrophobicContact CE2-CE2 3.49Å; Y91-Y95 VanDerWaalsContact CE2-CE2 3.49Å; Y91-Y95 HydrophobicContact CE2-CG 4.24Å; Y91-Y95 AromaticContact CG-CD2 3.6Å; Y91-Y95 HydrophobicContact CG-CD2 3.6Å; Y91-Y95 HydrophobicContact CG-CE2 4.11Å; Y91-Y95 AromaticContact CZ-CD2 3.78Å; Y91-Y95 VanDerWaalsContact O-CB 3.26Å; Y91-Y95 WeakPolarHBondContact O-CB 3.22Å; Y91-Y95 VanDerWaalsContact O-CD2 3.23Å; Y91-Y95 WeakPolarHBondContact O-CD2 3.45Å; Y91-Y95 PolarHBondContact O-N 3.16Å
96G53.9Low56.9Low39 Ų39115.6 Ų115.640%0.40259%0.585SS.*  trans75.6143.6-169.700000111G92 K98G92-G96 CarbonylContact O-C 3.45Å; G92-G96 WeakPolarHBondContact O-CA 3.44Å; G92-G96 PolarHBondContact O-N 2.83Å; G96-K98 PolarHBondContact O-N 3.38Å
97Y53.8Low55.1Low175 Ų175120.3 Ų120.369%0.68660%0.603SS**  trans-69.474.8165-59.4-80.9000108.5G92 T99G92-Y97 PolarHBondContact O-N 3.47Å; Y97-T99 VanDerWaalsContact C-N 3.33Å; Y97-T99 PolarHBondContact O-N 2.87Å
98K47.5Very low53.2Low184 Ų184116.7 Ų116.780%0.860%0.599SS**  trans-7199.9169.5-68.1-167.7-178.5-177.40106.3G96 S100G96-K98 PolarHBondContact O-N 3.38Å; K98-S100 PolarHBondContact O-N 2.87Å; K98-S100 VanDerWaalsContact O-N 3.13Å
99T47.8Very low52.3Low119 Ų119118.3 Ų118.373%0.7361%0.608SS**  trans-52.6121.3160.253.30000106.3Y97 K101Y97-T99 VanDerWaalsContact C-N 3.33Å; Y97-T99 PolarHBondContact O-N 2.87Å; T99-K101 PolarHBondContact O-N 3.03Å
100S45.2Very low51.5Low122 Ų122116.5 Ų116.585%0.85361%0.612SS**SBendtrans-70.561.9174.445.70000109.6K98K98-S100 PolarHBondContact O-N 2.87Å; K98-S100 VanDerWaalsContact O-N 3.13Å
101K47Very low51Low177 Ų177121 Ų12177%0.7764%0.636SS**SBendtrans-142.7105.6166.1-68.3-167.4179.4-179.60107.9T99 G103T99-K101 PolarHBondContact O-N 3.03Å; K101-G103 PolarHBondContact O-N 3.07Å
102H38.5Very low50.7Low214 Ų214116.3 Ų116.399%0.99163%0.625SS**  trans-34.6111.4155.7-108.6-95.8000109.9
103G39.3Very low50.4Low58 Ų58122 Ų12260%0.59865%0.652SS**  trans178.384-176.100000111.8K101 I105K101-G103 PolarHBondContact O-N 3.07Å; G103-I105 PolarHBondContact O-N 3Å
104L42.4Very low50.1Low169 Ų169128.8 Ų128.889%0.88567%0.674SS**  trans26.184.5149.3-63.7160.2000115.8H106L104-H106 PolarHBondContact O-N 2.97Å; L104-H106 VanDerWaalsContact O-N 3.1Å
105I45.9Very low50Low157 Ų157131.1 Ų131.181%0.80569%0.687SS**  trans-74.7102.4159.8-61.1-176.6000106.7G103 R107G103-I105 PolarHBondContact O-N 3Å; I105-R107 VanDerWaalsContact C-N 3.3Å; I105-R107 PolarHBondContact O-N 3.26Å
106H50.4Low49.8Very low177 Ų177134.4 Ų134.482%0.81970%0.704SS**  trans-53.396.8157.3-97.6-88.7000108.2L104 G108L104-H106 PolarHBondContact O-N 2.97Å; L104-H106 VanDerWaalsContact O-N 3.1Å; H106-G108 PolarHBondContact O-N 3.43Å
107R50.2Low49.4Very low196 Ų196136.4 Ų136.474%0.7473%0.725SS**  trans-64.1114159.2-93.6-177173.4149.9-0.6106.6I105I105-R107 VanDerWaalsContact C-N 3.3Å; I105-R107 PolarHBondContact O-N 3.26Å
108G44Very low49Very low43 Ų43131 Ų13144%0.44372%0.723SS.*  trans-54.9142.4169.500000109.8H106 A110 D111H106-G108 PolarHBondContact O-N 3.43Å; G108-A110 PolarHBondContact O-N 3.48Å; G108-D111 PolarHBondContact O-N 3.19Å
109A56.4Low49.1Very low78 Ų78128.1 Ų128.165%0.64573%0.725SS**Hα-helixtrans-52.7-27.3-17900000113.2D111 T112 L113A109-D111 PolarHBondContact O-N 2.86Å; A109-T112 PolarHBondContact O-N 2.85Å; A109-L113 PolarHBondContact O-N 2.85Å
110A55Low49Very low73 Ų73130.4 Ų130.460%0.60373%0.728SS**Hα-helixtrans-63.4-35.4176.700000114.2G108 T112 R114G108-A110 PolarHBondContact O-N 3.48Å; A110-T112 VanDerWaalsContact C-N 3.31Å; A110-R114 PolarHBondContact O-N 2.94Å
111D54.1Low49.2Very low101 Ų101133.6 Ų133.654%0.5473%0.726SS.*Hα-helixtrans-76.4-21.9177.4-83.7-19.3000112.4G108 A109G108-D111 PolarHBondContact O-N 3.19Å; A109-D111 PolarHBondContact O-N 2.86Å
112T54.3Low49.3Very low76 Ų76133.3 Ų133.347%0.46673%0.727SS.*Hα-helixtrans-78.4-29.2178.2-41.70000111.3A109 A110A109-T112 PolarHBondContact O-N 2.85Å; A110-T112 VanDerWaalsContact C-N 3.31Å
113L56.3Low49.8Very low133 Ų133134.6 Ų134.670%0.69672%0.723SS**Hα-helixtrans-83-28.4-179.7-68.2172.4000113.8A109 N115 F116A109-L113 PolarHBondContact O-N 2.85Å; L113-N115 PolarHBondContact O-N 2.77Å; L113-F116 PolarHBondContact O-N 3.24Å
114R56.1Low50.5Low220 Ų220143.1 Ų143.183%0.8374%0.738SS**THydrogen-bonded Turntrans-67.3-13.8177.4-82-174.3168.6-152.3-2.9114.2A110A110-R114 PolarHBondContact O-N 2.94Å
115N54.1Low51.2Low126 Ų126139.8 Ų139.867%0.67473%0.729SS**THydrogen-bonded Turntrans-98.25.1-177-93.492.2000115.1L113L113-N115 PolarHBondContact O-N 2.77Å
116F54.5Low52Low186 Ų186141.5 Ų141.582%0.81673%0.733SS**SBendtrans-93.12.2-177.3-107-88.2000115.4L113L113-F116 PolarHBondContact O-N 3.24Å
117G45.1Very low52.3Low81 Ų81139.5 Ų139.584%0.83572%0.722SS**SBendtrans-119.614.1-167.800000118.1
118G45.8Very low53.4Low62 Ų62136.1 Ų136.164%0.63973%0.726SS**  trans-152.593.4-177.600000112E120G118-E120 VanDerWaalsContact C-N 3.26Å; G118-E120 PolarHBondContact O-N 2.8Å
119S48.9Very low55.2Low122 Ų122140.5 Ų140.585%0.85374%0.744SS**  trans-74.176174.452.80000110.8
120E46.4Very low56.5Low167 Ų167144.5 Ų144.578%0.7875%0.753SS**  trans-154.469156.4-150113.3-140.500107.1G118 H122G118-E120 VanDerWaalsContact C-N 3.26Å; G118-E120 PolarHBondContact O-N 2.8Å; E120-H122 PolarHBondContact O-N 3.18Å
121K48.9Very low57.9Low189 Ų189145.4 Ų145.482%0.82276%0.755SS**  trans-68.488171-76.9-178.4-179.8173.30107.2R123K121-R123 VanDerWaalsContact C-N 3.32Å; K121-R123 PolarHBondContact O-N 3.32Å
122H48.6Very low59.4Low172 Ų172147.4 Ų147.480%0.79677%0.77SS**  trans-46.4107.2151.2-88.5-85.8000106.3E120 R124E120-H122 PolarHBondContact O-N 3.18Å; H122-R124 VanDerWaalsContact C-N 3.35Å; H122-R124 PolarHBondContact O-N 3.39Å
123R49.8Very low60.8Low240 Ų240150.1 Ų150.191%0.90678%0.779SS**  trans-48.7108167.6-96.4-176.9155178.1-6.4105.2K121 S125K121-R123 VanDerWaalsContact C-N 3.32Å; K121-R123 PolarHBondContact O-N 3.32Å; R123-S125 VanDerWaalsContact C-N 3.29Å; R123-S125 PolarHBondContact O-N 3.32Å
124R54.3Low61.9Low238 Ų238149 Ų14990%0.89878%0.783SS**  trans-54.7107.2165.9-72.2-177177.8-175.5-1.8103.9H122 E126H122-R124 VanDerWaalsContact C-N 3.35Å; H122-R124 PolarHBondContact O-N 3.39Å; R124-E126 PolarHBondContact O-N 3.17Å; R124-E126 VanDerWaalsContact O-N 3.09Å
125S55.2Low63.2Low99 Ų99144 Ų14469%0.69277%0.772SS**  trans-48.7119.817836.10000107.3R123 K127R123-S125 VanDerWaalsContact C-N 3.29Å; R123-S125 PolarHBondContact O-N 3.32Å; S125-K127 PolarHBondContact O-N 2.89Å
126E64Low64.6Low193 Ų193146.1 Ų146.190%0.90278%0.776SS**  trans-56.2107.8169.5-72177.3173.600105.8R124R124-E126 PolarHBondContact O-N 3.17Å; R124-E126 VanDerWaalsContact O-N 3.09Å
127K56Low66.1Low135 Ų135141.4 Ų141.459%0.58776%0.756SS**  trans-64.8139-175-69.5-176.3179.4-176.90108S125 T129S125-K127 PolarHBondContact O-N 2.89Å; K127-T129 PolarHBondContact O-N 3.14Å; K127-T129 VanDerWaalsContact O-N 3.14Å
128P73.2Confident68.3Low125 Ų125142.4 Ų142.481%0.81274%0.742SS**  trans-57.7121.9-177.623.7-33000109.7
129T82.1Confident70.5Confident134 Ų134141.7 Ų141.782%0.82273%0.725SS**  trans-86.4115.6171.6-58.90000107.4K127 S131K127-T129 PolarHBondContact O-N 3.14Å; K127-T129 VanDerWaalsContact O-N 3.14Å; T129-S131 PolarHBondContact O-N 3.1Å
130I83.3Confident72.6Confident163 Ų163137.4 Ų137.484%0.83670%0.695SS**PPolyproline II helixtrans-77.4116.1172.9-59.6172000107.2
131S84.2Confident75Confident92 Ų92131.1 Ų131.164%0.64367%0.669SS**PPolyproline II helixtrans-76149.7177.154.90000111.5T129 M133T129-S131 PolarHBondContact O-N 3.1Å; S131-M133 PolarHBondContact O-N 3.26Å
132V86.4Confident77.2Confident143 Ų143126 Ų12687%0.86765%0.65SS**PPolyproline II helixtrans-64.5124.1164.5-1780000107.9S134V132-S134 PolarHBondContact O-N 2.64Å
133M84.1Confident79.4Confident133 Ų133120.2 Ų120.266%0.65563%0.625SS**PPolyproline II helixtrans-70.3125.3177.5-67.5175.764.800109.3S131 F136S131-M133 PolarHBondContact O-N 3.26Å; M133-F136 HydrophobicContact CB-CE2 4.15Å; M133-F136 HydrophobicContact CB-CZ 3.97Å; M133-F136 WeakPolarHBondContact O-CE2 3.26Å
134S78.1Confident81.5Confident110 Ų110112.2 Ų112.277%0.76960%0.6SS**PPolyproline II helixtrans-92.1150.6161.455.20000108.6V132V132-S134 PolarHBondContact O-N 2.64Å
135D83.4Confident83.2Confident115 Ų115105.1 Ų105.162%0.61558%0.583SS**  trans82.564.3-179.2-165.413.9000116H137D135-H137 IonicContact OD1-CE1 3.31Å; D135-H137 IonicContact OD1-ND1 3.04Å; D135-H137 PolarHBondContact OD1-ND1 3.15Å; D135-H137 IonicContact OD2-ND1 3.95Å
136F84.2Confident84.9Confident170 Ų170108.1 Ų108.175%0.74659%0.591SS**  trans-87.6120163.3-66.9-86.6000109.7M133M133-F136 HydrophobicContact CB-CE2 4.15Å; M133-F136 HydrophobicContact CB-CZ 3.97Å; M133-F136 WeakPolarHBondContact O-CE2 3.26Å
137H86.9Confident86.3Confident86 Ų86105.5 Ų105.540%0.39858%0.582SS.*  trans-135.1147.6173.356.9-91.5000110.8D135 S160D135-H137 IonicContact OD1-CE1 3.31Å; D135-H137 IonicContact OD1-ND1 3.04Å; D135-H137 PolarHBondContact OD1-ND1 3.15Å; D135-H137 IonicContact OD2-ND1 3.95Å; H137-S160 PolarHBondContact NE2-OG 3.38Å
138L90.5Very high87.9Confident102 Ų102100 Ų10053%0.53456%0.558SS.*  trans-69.9133.9175.2-175.866.9000109.4S140 I158L138-S140 WeakPolarHBondContact CD1-O 3.21Å; L138-I158 HydrophobicContact CB-CD1 3.99Å; L138-I158 HydrophobicContact CD2-CD1 3.74Å; L138-I158 HydrophobicContact CG-CD1 3.9Å; L138-I158 WeakPolarHBondContact O-CB 3.31Å
139V91.6Very high88.8Confident48 Ų4896.7 Ų96.729%0.29154%0.537SS..  trans-107.3-37.3179.7178.70000111.3I158 I198 T202V139-I158 PolarHBondContact O-N 3.27Å; V139-I198 HydrophobicContact CG1-CG2 3.46Å; V139-I198 VanDerWaalsContact CG1-CG2 3.46Å; V139-T202 HydrophobicContact CG1-CG2 4.1Å
140S93.8Very high89Confident31 Ų3197.6 Ų97.622%0.21753%0.526CS..EExtended strand (participates in β ladder)trans-158.1157.7178.362.40000113.5L138 S156 T202L138-S140 WeakPolarHBondContact CD1-O 3.21Å; S140-S156 CarbonylContact C-O 3.6Å; S140-S156 WeakPolarHBondContact CA-O 3.15Å; S140-S156 VanDerWaalsContact CB-O 3.29Å; S140-S156 WeakPolarHBondContact CB-O 3.17Å; S140-T202 VanDerWaalsContact CB-CG2 3.43Å; S140-T202 WeakPolarHBondContact OG-CG2 3.34Å
141S95.5Very high89.4Confident35 Ų3590.3 Ų90.325%0.24549%0.489CS..EExtended strand (participates in β ladder)trans-147.7156.5169.160.80000111.6L143 V155 S156S141-L143 WeakPolarHBondContact OG-CD2 3.46Å; S141-V155 WeakPolarHBondContact O-CA 3.39Å; S141-S156 PolarHBondContact N-O 2.89Å; S141-S156 PolarHBondContact O-N 3.28Å
142I95.5Very high89.8Confident82 Ų8286.7 Ų86.742%0.42146%0.462SS..EExtended strand (participates in β ladder)trans-91.7131.8166.5-55.8176.9000107.4V145 R153 R154 L204I142-V145 HydrophobicContact CB-CG2 4.45Å; I142-V145 HydrophobicContact CG2-CG2 3.54Å; I142-R153 HydrophobicContact CG2-CG 4.24Å; I142-R154 WeakPolarHBondContact CA-O 3.07Å; I142-L204 HydrophobicContact CD1-CD2 3.85Å; I142-L204 HydrophobicContact CG1-CD1 4.05Å; I142-L204 HydrophobicContact CG1-CD2 3.93Å
143L95.3Very high90.2Very high51 Ų5181.7 Ų81.727%0.26743%0.428SS..EExtended strand (participates in β ladder)trans-111.6156.4-177.9-56.4-178.3000111.1S141 V145 R154 I239S141-L143 WeakPolarHBondContact OG-CD2 3.46Å; L143-V145 PolarHBondContact O-N 3.22Å; L143-R154 HydrophobicContact CB-CB 4.34Å; L143-R154 HydrophobicContact CB-CG 4.07Å; L143-R154 PolarHBondContact N-O 3Å; L143-I239 HydrophobicContact CD1-CD1 4.05Å; L143-I239 HydrophobicContact CD1-CG1 4.25Å; L143-I239 HydrophobicContact CD1-CG2 4.09Å
144D93.6Very high90.8Very high71 Ų7177.6 Ų77.638%0.3841%0.405SS..  trans52.630.6165-54.2-37.8000116.2D146 I147 I148 R154D144-D146 PolarHBondContact O-N 3.4Å; D144-I147 HydrophobicContact CB-CB 4.4Å; D144-I147 PolarHBondContact O-N 3.4Å; D144-I148 HydrophobicContact CB-CG2 3.89Å; D144-I148 WeakPolarHBondContact O-CG1 3.24Å; D144-I148 PolarHBondContact O-N 3.18Å; D144-R154 VanDerWaalsContact OD2-CD 3.31Å; D144-R154 WeakPolarHBondContact OD2-CD 3.26Å; D144-R154 IonicContact OD2-CZ 2.67Å; D144-R154 IonicContact OD2-NE 3.06Å; D144-R154 IonicContact OD2-NH1 3.86Å; D144-R154 PolarHBondContact OD2-NH1 2.9Å
145V90.3Very high91.7Very high90 Ų9072.4 Ų72.455%0.54537%0.369SS..THydrogen-bonded Turntrans-52.1-34.5-176.9179.50000112.7I142 L143I142-V145 HydrophobicContact CB-CG2 4.45Å; I142-V145 HydrophobicContact CG2-CG2 3.54Å; L143-V145 PolarHBondContact O-N 3.22Å
146D90.9Very high92.3Very high161 Ų16167.2 Ų67.286%0.86134%0.342SS*.THydrogen-bonded Turntrans-87.6-12.2-176.7-54-38.8000113.7D144D144-D146 PolarHBondContact O-N 3.4Å
147I92.4Very high92.9Very high138 Ų13859.2 Ų59.271%0.70831%0.306SS*.THydrogen-bonded Turntrans-110.2-37.9-172.7-56.1172.5000110.9D144D144-I147 HydrophobicContact CB-CB 4.4Å; D144-I147 PolarHBondContact O-N 3.4Å
148I90.8Very high93.2Very high19 Ų1957.5 Ų57.510%0.09730%0.3CS..SBendtrans-78.7148.6177.371.2-174000110.5D144 W150 L152 R154D144-I148 HydrophobicContact CB-CG2 3.89Å; D144-I148 WeakPolarHBondContact O-CG1 3.24Å; D144-I148 PolarHBondContact O-N 3.18Å; I148-W150 PolarHBondContact O-N 3.08Å; I148-L152 HydrophobicContact CD1-CB 4.47Å; I148-R154 HydrophobicContact CD1-CB 3.75Å; I148-R154 VanDerWaalsContact CD1-N 3.29Å
149P92Very high93.2Very high57 Ų5757.7 Ų57.737%0.3729%0.293SS..  trans-53.5139.8173.3-27.135.5000111.7T151 L152 Y269P149-T151 PolarHBondContact O-N 2.93Å; P149-L152 WeakPolarHBondContact O-CA 3.37Å; P149-L152 PolarHBondContact O-N 3.12Å; P149-Y269 HydrophobicContact CB-CE1 4.2Å; P149-Y269 HydrophobicContact CG-CE1 4.36Å
150W87Confident93Very high152 Ų15256 Ų5658%0.57628%0.284SS*.THydrogen-bonded Turntrans-57.9-16.2-179.363.3-89000114.9I148 L152I148-W150 PolarHBondContact O-N 3.08Å; W150-L152 VanDerWaalsContact C-N 3.3Å
151T90.3Very high92.5Very high10 Ų1059.8 Ų59.86%0.06131%0.308CS..THydrogen-bonded Turntrans-80.6-12.2174.559.20000113.2P149 R243 P244 Y269P149-T151 PolarHBondContact O-N 2.93Å; T151-R243 WeakPolarHBondContact O-CG 3.48Å; T151-P244 WeakPolarHBondContact O-CD 3.16Å; T151-Y269 WeakPolarHBondContact OG1-CD1 3.35Å; T151-Y269 VanDerWaalsContact OG1-CE1 3.26Å; T151-Y269 WeakPolarHBondContact OG1-CE1 3.39Å
152L94.1Very high91.9Very high16 Ų1662.1 Ų62.18%0.08434%0.337CS..  trans-109.6158.5178.3-58.2-171000111I148 P149 W150 I212 T241 I242 R243 Y269I148-L152 HydrophobicContact CD1-CB 4.47Å; P149-L152 WeakPolarHBondContact O-CA 3.37Å; P149-L152 PolarHBondContact O-N 3.12Å; W150-L152 VanDerWaalsContact C-N 3.3Å; L152-I212 HydrophobicContact CD2-CG1 3.96Å; L152-T241 HydrophobicContact CB-CG2 4.25Å; L152-T241 HydrophobicContact CD1-CG2 3.99Å; L152-I242 CarbonylContact C-O 3.53Å; L152-I242 WeakPolarHBondContact CA-O 3.1Å; L152-R243 HydrophobicContact CD2-CB 3.7Å; L152-R243 HydrophobicContact CD2-CG 4.22Å; L152-Y269 HydrophobicContact CD1-CE1 4.14Å; L152-Y269 VanDerWaalsContact CD1-OH 3.31Å; L152-Y269 WeakPolarHBondContact CD1-OH 3.42Å; L152-Y269 HydrophobicContact CD2-CE1 4.02Å; L152-Y269 HydrophobicContact CG-CE1 3.91Å
153R94.9Very high91.4Very high39 Ų3963.1 Ų63.115%0.14734%0.339CS..EExtended strand (participates in β ladder)trans-135.8125.8172.3-176.9-173.3-66.2164.9-1.8108.8I142 V155 L204 I242 P244I142-R153 HydrophobicContact CG2-CG 4.24Å; R153-V155 HydrophobicContact CG-CG2 3.76Å; R153-L204 PolarHBondContact NH1-O 2.8Å; R153-I242 HydrophobicContact CB-CD1 4.41Å; R153-I242 HydrophobicContact CB-CG1 4.09Å; R153-I242 PolarHBondContact N-O 3.1Å; R153-I242 VanDerWaalsContact O-CG1 3.31Å; R153-I242 WeakPolarHBondContact O-CG1 3.3Å; R153-I242 PolarHBondContact O-N 3.38Å; R153-P244 HydrophobicContact CB-CG 4.17Å
154R96.6Very high91Very high47 Ų4765 Ų6518%0.17735%0.346CS..EExtended strand (participates in β ladder)trans-99.9120.5173-172.7173.5-73.7157.8-2.1109.2I142 L143 D144 I148 E213 I239 I240 T241I142-R154 WeakPolarHBondContact CA-O 3.07Å; L143-R154 HydrophobicContact CB-CB 4.34Å; L143-R154 HydrophobicContact CB-CG 4.07Å; L143-R154 PolarHBondContact N-O 3Å; D144-R154 VanDerWaalsContact OD2-CD 3.31Å; D144-R154 WeakPolarHBondContact OD2-CD 3.26Å; D144-R154 IonicContact OD2-CZ 2.67Å; D144-R154 IonicContact OD2-NE 3.06Å; D144-R154 IonicContact OD2-NH1 3.86Å; D144-R154 PolarHBondContact OD2-NH1 2.9Å; I148-R154 HydrophobicContact CD1-CB 3.75Å; I148-R154 VanDerWaalsContact CD1-N 3.29Å; R154-E213 IonicContact CZ-OE2 2.66Å; R154-E213 IonicContact NE-OE2 3.97Å; R154-E213 IonicContact NH2-OE1 3.66Å; R154-E213 IonicContact NH2-OE2 3.71Å; R154-E213 PolarHBondContact NH2-OE2 3.46Å; R154-I239 HydrophobicContact CG-CG2 3.68Å; R154-I240 WeakPolarHBondContact CA-O 3.31Å; R154-T241 PolarHBondContact NE-OG1 3.18Å
155V96.1Very high90.8Very high0 Ų062.8 Ų62.80%033%0.333CS..EExtended strand (participates in β ladder)trans-119.4127.2-174.9-178.40000109.1S141 R153 L157 L204 L205 I239 I240S141-V155 WeakPolarHBondContact O-CA 3.39Å; R153-V155 HydrophobicContact CG-CG2 3.76Å; V155-L157 HydrophobicContact CG1-CD2 3.77Å; V155-L157 HydrophobicContact CG1-CG 4.14Å; V155-L204 HydrophobicContact CG1-CB 3.93Å; V155-L204 HydrophobicContact CG1-CD1 3.71Å; V155-L204 HydrophobicContact CG1-CG 4.49Å; V155-L204 HydrophobicContact CG2-CB 4.04Å; V155-L205 HydrophobicContact CB-CD2 4.44Å; V155-L205 HydrophobicContact CG2-CD2 4.08Å; V155-I239 CarbonylContact O-C 3.58Å; V155-I239 WeakPolarHBondContact O-CA 3.34Å; V155-I240 HydrophobicContact CB-CG2 4.17Å; V155-I240 PolarHBondContact N-O 3.42Å; V155-I240 PolarHBondContact O-N 3.02Å
156S96.8Very high90.9Very high7 Ų758.8 Ų58.85%0.04931%0.31CS..EExtended strand (participates in β ladder)trans-93.7131.2165.6174.80000109.3S140 S141 N237 L238S140-S156 CarbonylContact C-O 3.6Å; S140-S156 WeakPolarHBondContact CA-O 3.15Å; S140-S156 VanDerWaalsContact CB-O 3.29Å; S140-S156 WeakPolarHBondContact CB-O 3.17Å; S141-S156 PolarHBondContact N-O 2.89Å; S141-S156 PolarHBondContact O-N 3.28Å; S156-N237 PolarHBondContact OG-OD1 2.92Å; S156-L238 CarbonylContact C-O 3.57Å; S156-L238 WeakPolarHBondContact CA-O 2.9Å
157L95.4Very high91Very high1 Ų152.4 Ų52.41%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-119.9122.4172.7-58.9-179.4000108.7V155 F165 I198 A199 T202 L205 N237 L238V155-L157 HydrophobicContact CG1-CD2 3.77Å; V155-L157 HydrophobicContact CG1-CG 4.14Å; L157-F165 HydrophobicContact CB-CD1 3.84Å; L157-F165 HydrophobicContact CB-CE1 3.63Å; L157-F165 HydrophobicContact CB-CZ 4.31Å; L157-F165 HydrophobicContact CD1-CD1 4.23Å; L157-F165 HydrophobicContact CD1-CG 4.49Å; L157-F165 WeakPolarHBondContact O-CE1 3.45Å; L157-I198 HydrophobicContact CD2-CG2 4.4Å; L157-A199 HydrophobicContact CD1-CB 4.13Å; L157-T202 HydrophobicContact CD2-CG2 4.07Å; L157-L205 HydrophobicContact CD1-CD1 3.94Å; L157-N237 WeakPolarHBondContact O-CA 3.31Å; L157-L238 PolarHBondContact N-O 3.21Å; L157-L238 PolarHBondContact O-N 3.34Å
158I94.1Very high91.2Very high50 Ų5049.5 Ų49.526%0.25626%0.262SS..EExtended strand (participates in β ladder)trans-104.5129.4178.6-60.5175.2000108.2L138 V139 S160L138-I158 HydrophobicContact CB-CD1 3.99Å; L138-I158 HydrophobicContact CD2-CD1 3.74Å; L138-I158 HydrophobicContact CG-CD1 3.9Å; L138-I158 WeakPolarHBondContact O-CB 3.31Å; V139-I158 PolarHBondContact O-N 3.27Å; I158-S160 PolarHBondContact O-N 3.31Å
159R90.8Very high91.5Very high106 Ų10649.5 Ų49.540%0.426%0.262SS..  trans-76.2114.3-176.6-177.6175-177.9154.81.6111.4K163 F165 S235 S236R159-K163 WeakPolarHBondContact CG-O 3.49Å; R159-K163 PolarHBondContact NE-O 3.32Å; R159-K163 PolarHBondContact NH2-O 3.15Å; R159-F165 HydrophobicContact CB-CE1 4.1Å; R159-F165 HydrophobicContact CB-CZ 4.28Å; R159-S235 VanDerWaalsContact CB-O 3.23Å; R159-S235 WeakPolarHBondContact CB-O 3.16Å; R159-S235 WeakPolarHBondContact CD-O 3.39Å; R159-S236 PolarHBondContact N-O 2.99Å; R159-S236 VanDerWaalsContact N-O 3.13Å
160S86.3Confident91.7Very high14 Ų1449.3 Ų49.310%0.09825%0.254CS..  trans-67.2145.2166.5-57.60000111.1H137 I158 G162 K163H137-S160 PolarHBondContact NE2-OG 3.38Å; I158-S160 PolarHBondContact O-N 3.31Å; S160-G162 PolarHBondContact O-N 2.93Å; S160-K163 PolarHBondContact O-N 3.06Å; S160-K163 VanDerWaalsContact O-N 3.15Å
161P83.9Confident92Very high110 Ų11044.5 Ų44.571%0.71424%0.241SC*.THydrogen-bonded Turntrans-57.6130.7177.424.7-33.6000110.5K163P161-K163 VanDerWaalsContact C-N 3.28Å; P161-K163 PolarHBondContact O-N 3.17Å
162G83.4Confident92.1Very high84 Ų8444 Ų4487%0.86624%0.238SC*.THydrogen-bonded Turntrans80.2-7.6179.300000116.2S160S160-G162 PolarHBondContact O-N 2.93Å
163K85Confident91.9Very high103 Ų10343.6 Ų43.645%0.44824%0.237SC..  trans-106156.7173.8-68.4-166.3175.6-170.60112R159 S160 P161 I198R159-K163 WeakPolarHBondContact CG-O 3.49Å; R159-K163 PolarHBondContact NE-O 3.32Å; R159-K163 PolarHBondContact NH2-O 3.15Å; S160-K163 PolarHBondContact O-N 3.06Å; S160-K163 VanDerWaalsContact O-N 3.15Å; P161-K163 VanDerWaalsContact C-N 3.28Å; P161-K163 PolarHBondContact O-N 3.17Å; K163-I198 HydrophobicContact CB-CD1 4.21Å; K163-I198 HydrophobicContact CB-CG1 4.24Å
164Q86.2Confident91.6Very high89 Ų8941.9 Ų41.942%0.41623%0.231SC..  trans-107.3166.5168.959.1175.7-4.700109.9G166 I198Q164-G166 VanDerWaalsContact C-N 3.27Å; Q164-G166 PolarHBondContact O-N 3.43Å; Q164-I198 PolarHBondContact O-N 3.29Å; Q164-I198 VanDerWaalsContact O-N 3.17Å
165F89.9Confident91Very high25 Ų2543 Ų4311%0.1124%0.238CC..  trans-64.1-35.5173-60.1-48.9000112.4L157 R159 G197 I198 A199 S235 L238L157-F165 HydrophobicContact CB-CD1 3.84Å; L157-F165 HydrophobicContact CB-CE1 3.63Å; L157-F165 HydrophobicContact CB-CZ 4.31Å; L157-F165 HydrophobicContact CD1-CD1 4.23Å; L157-F165 HydrophobicContact CD1-CG 4.49Å; L157-F165 WeakPolarHBondContact O-CE1 3.45Å; R159-F165 HydrophobicContact CB-CE1 4.1Å; R159-F165 HydrophobicContact CB-CZ 4.28Å; F165-G197 CarbonylContact O-C 3.56Å; F165-G197 WeakPolarHBondContact O-CA 3.31Å; F165-I198 HydrophobicContact CD1-CB 4.23Å; F165-I198 HydrophobicContact CD1-CD1 4.02Å; F165-I198 HydrophobicContact CD1-CG2 4.46Å; F165-I198 HydrophobicContact CE1-CD1 4.39Å; F165-I198 PolarHBondContact O-N 3.11Å; F165-A199 VanDerWaalsContact O-CB 3.26Å; F165-A199 WeakPolarHBondContact O-CB 3.09Å; F165-A199 PolarHBondContact O-N 2.83Å; F165-S235 WeakPolarHBondContact CE2-O 3.44Å; F165-S235 WeakPolarHBondContact CZ-O 3.23Å; F165-L238 HydrophobicContact CD2-CB 4.3Å; F165-L238 HydrophobicContact CD2-CD2 3.73Å; F165-L238 HydrophobicContact CE1-CB 4.42Å; F165-L238 HydrophobicContact CE2-CB 3.44Å; F165-L238 VanDerWaalsContact CE2-CB 3.44Å; F165-L238 HydrophobicContact CE2-CD2 3.72Å; F165-L238 HydrophobicContact CE2-CG 4.19Å; F165-L238 HydrophobicContact CG-CD2 4.43Å; F165-L238 HydrophobicContact CZ-CB 3.53Å; F165-L238 HydrophobicContact CZ-CD2 4.44Å
166G91.9Very high90.3Very high7 Ų744.5 Ų44.57%0.07224%0.244CC..  trans69.646.4178.700000112.4Q164 L193 A194Q164-G166 VanDerWaalsContact C-N 3.27Å; Q164-G166 PolarHBondContact O-N 3.43Å; G166-L193 CarbonylContact O-C 3.58Å; G166-L193 WeakPolarHBondContact O-CA 3.44Å; G166-A194 PolarHBondContact O-N 2.79Å
167L94Very high89.7Confident27 Ų2751.1 Ų51.114%0.14127%0.269CS..EExtended strand (participates in β ladder)trans-127.3130.8178.8167139.4000109.5I169 I190 L193 A199 L205 M231L167-I169 HydrophobicContact CD2-CG2 3.65Å; L167-I190 HydrophobicContact CD1-CB 4.49Å; L167-I190 HydrophobicContact CD1-CD1 3.47Å; L167-I190 VanDerWaalsContact CD1-CD1 3.47Å; L167-I190 HydrophobicContact CD1-CG1 3.77Å; L167-I190 HydrophobicContact CD1-CG2 3.97Å; L167-I190 HydrophobicContact CG-CG2 4.31Å; L167-L193 HydrophobicContact CB-CD2 4.04Å; L167-L193 HydrophobicContact CD1-CD2 3.85Å; L167-L193 HydrophobicContact CG-CD2 4.24Å; L167-A199 HydrophobicContact CB-CB 4.1Å; L167-L205 HydrophobicContact CD1-CD1 3.84Å; L167-M231 HydrophobicContact CD2-CE 3.18Å; L167-M231 HydrophobicContact CD2-SD 4.23Å
168N95.3Very high89.2Confident76 Ų7652.1 Ų52.141%0.40628%0.275SS..EExtended strand (participates in β ladder)trans-111.8141.1173.4-65-6.1000109.4S191 R192N168-S191 WeakPolarHBondContact CB-OG 3.11Å; N168-S191 PolarHBondContact O-N 3.43Å; N168-S191 PolarHBondContact O-OG 3.13Å; N168-S191 VanDerWaalsContact O-OG 3.11Å; N168-R192 HydrophobicContact CB-CB 4.16Å; N168-R192 PolarHBondContact N-O 2.84Å; N168-R192 PolarHBondContact O-N 2.82Å
169I96.8Very high88.8Confident19 Ų1958.9 Ų58.910%0.09730%0.302CS..EExtended strand (participates in β ladder)trans-110.4158.2177.264.6167.7000110.7L167 F189 I211 L224 V227 N228 M231L167-I169 HydrophobicContact CD2-CG2 3.65Å; I169-F189 CarbonylContact C-O 3.49Å; I169-F189 VanDerWaalsContact CA-O 3.24Å; I169-F189 WeakPolarHBondContact CA-O 3.29Å; I169-I211 HydrophobicContact CB-CD1 4.18Å; I169-I211 HydrophobicContact CG2-CD1 3.34Å; I169-L224 HydrophobicContact CD1-CD1 3.68Å; I169-L224 HydrophobicContact CG1-CD1 3.76Å; I169-V227 HydrophobicContact CD1-CB 4.08Å; I169-V227 HydrophobicContact CD1-CG1 3.63Å; I169-N228 WeakPolarHBondContact CD1-OD1 3.49Å; I169-N228 WeakPolarHBondContact CG1-OD1 3.48Å; I169-M231 HydrophobicContact CD1-SD 4.31Å; I169-M231 HydrophobicContact CG2-SD 4.11Å
170R96.1Very high88.5Confident54 Ų5460 Ų6020%0.20432%0.317CS..EExtended strand (participates in β ladder)trans-133.9151171.562.6178175.782.1-3.4109.8F188 F189 N208 N274R170-F188 WeakPolarHBondContact O-CA 3.08Å; R170-F189 HydrophobicContact CG-CB 4.01Å; R170-F189 PolarHBondContact N-O 3.03Å; R170-F189 PolarHBondContact O-N 3.42Å; R170-N208 PolarHBondContact NH2-OD1 3.16Å; R170-N274 PolarHBondContact NH1-OD1 3.17Å; R170-N274 PolarHBondContact NH2-ND2 3.45Å
171T95.1Very high88.6Confident50 Ų5060.4 Ų60.431%0.30732%0.322SS..EExtended strand (participates in β ladder)trans-74142.9163.1-48.10000109.3
172G91.6Very high88.7Confident0 Ų063.8 Ų63.80%032%0.322CS..EExtended strand (participates in β ladder)trans-147.8-167.616800000109.3A187G172-A187 PolarHBondContact N-O 3.34Å; G172-A187 PolarHBondContact O-N 2.99Å; G172-A187 VanDerWaalsContact O-O 3.13Å
173A90.4Very high88.9Confident7 Ų763 Ų636%0.05830%0.296CS..EExtended strand (participates in β ladder)trans-134148.7175.400000110.9T184 I185 I275 I277A173-T184 HydrophobicContact CB-CG2 3.45Å; A173-T184 VanDerWaalsContact CB-CG2 3.45Å; A173-I185 CarbonylContact C-O 3.12Å; A173-I185 VanDerWaalsContact CA-O 3.31Å; A173-I185 WeakPolarHBondContact CA-O 3.49Å; A173-I275 PolarHBondContact N-O 2.96Å; A173-I275 PolarHBondContact O-N 3.14Å; A173-I275 VanDerWaalsContact O-N 3.11Å; A173-I277 HydrophobicContact CB-CD1 4.14Å
174I87Confident89Confident3 Ų362 Ų622%0.01530%0.299CS..EExtended strand (participates in β ladder)trans-116.7125176.6-66.6172.7000108.8T184 I185 A187 F189 E210 R272I174-T184 WeakPolarHBondContact O-CA 3.5Å; I174-I185 PolarHBondContact N-O 3.14Å; I174-I185 PolarHBondContact O-N 3.5Å; I174-A187 HydrophobicContact CB-CB 4.5Å; I174-A187 HydrophobicContact CD1-CB 3.32Å; I174-A187 HydrophobicContact CG1-CB 3.63Å; I174-F189 HydrophobicContact CD1-CZ 3.94Å; I174-F189 HydrophobicContact CG1-CE2 4.45Å; I174-F189 HydrophobicContact CG1-CZ 3.68Å; I174-E210 HydrophobicContact CD1-CG 3.86Å; I174-E210 WeakPolarHBondContact CD1-OE1 3.47Å; I174-R272 HydrophobicContact CG2-CB 3.65Å; I174-R272 HydrophobicContact CG2-CG 3.4Å; I174-R272 VanDerWaalsContact CG2-NH1 3.34Å
175Q84.9Confident89.1Confident70 Ų7058.8 Ų58.833%0.32728%0.284SS..EExtended strand (participates in β ladder)trans-91.8129.3170.2-67.2-172.2-2.100110.5E183 T184 R272 I275Q175-E183 WeakPolarHBondContact CA-O 3.42Å; Q175-T184 HydrophobicContact CG-CG2 4.49Å; Q175-R272 WeakPolarHBondContact O-CG 3.37Å; Q175-I275 VanDerWaalsContact CD-CD1 3.49Å; Q175-I275 HydrophobicContact CG-CD1 3.89Å
176Y81.9Confident89.2Confident32 Ų3261.8 Ų61.813%0.12531%0.306CS..EExtended strand (participates in β ladder)trans-136.6153.8174.465.7-70000110.1T178 E183 I185Y176-T178 HydrophobicContact CD2-CG2 3.53Å; Y176-T178 HydrophobicContact CE2-CG2 3.06Å; Y176-E183 HydrophobicContact CD1-CB 4.32Å; Y176-E183 VanDerWaalsContact CD1-O 3.29Å; Y176-E183 WeakPolarHBondContact CD1-O 3.47Å; Y176-E183 HydrophobicContact CE1-CB 3.57Å; Y176-E183 WeakPolarHBondContact CE1-O 3.42Å; Y176-E183 HydrophobicContact CE2-CB 4.25Å; Y176-E183 PolarHBondContact N-O 2.65Å; Y176-E183 PolarHBondContact O-N 3.16Å; Y176-E183 WeakPolarHBondContact OH-CB 3.34Å; Y176-E183 PolarHBondContact OH-OE2 2.88Å; Y176-I185 HydrophobicContact CD1-CD1 4.1Å; Y176-I185 HydrophobicContact CD1-CG1 4.41Å; Y176-I185 HydrophobicContact CE1-CB 3.95Å; Y176-I185 HydrophobicContact CE1-CD1 3.18Å; Y176-I185 HydrophobicContact CE1-CG1 3.42Å; Y176-I185 VanDerWaalsContact CE1-CG1 3.42Å; Y176-I185 HydrophobicContact CE2-CD1 4.31Å; Y176-I185 WeakPolarHBondContact OH-CD1 3.5Å
177Y84.3Confident89.3Confident147 Ų14761.8 Ų61.858%0.57631%0.305SS*.EExtended strand (participates in β ladder)trans-92.7116.7-179.7-172.7-97.4000109.2Y182Y177-Y182 HydrophobicContact CD2-CD1 4.31Å; Y177-Y182 HydrophobicContact CD2-CD2 4.48Å; Y177-Y182 HydrophobicContact CD2-CE1 4.07Å; Y177-Y182 HydrophobicContact CD2-CE2 4.24Å; Y177-Y182 HydrophobicContact CE2-CE2 4.5Å
178T83.5Confident89.4Confident22 Ų2260.9 Ų60.914%0.13530%0.3CS..EExtended strand (participates in β ladder)trans-101.8170.6168.970.10000110.1Y176 N180 G181 E183Y176-T178 HydrophobicContact CD2-CG2 3.53Å; Y176-T178 HydrophobicContact CE2-CG2 3.06Å; T178-N180 PolarHBondContact O-N 3.09Å; T178-N180 PolarHBondContact OG1-N 3.24Å; T178-G181 PolarHBondContact N-O 2.9Å; T178-G181 PolarHBondContact O-N 3.36Å; T178-G181 PolarHBondContact OG1-O 3.21Å; T178-E183 HydrophobicContact CG2-CB 4.24Å; T178-E183 VanDerWaalsContact CG2-CD 3.41Å; T178-E183 HydrophobicContact CG2-CG 4.1Å; T178-E183 WeakPolarHBondContact CG2-OE2 3.16Å; T178-E183 VanDerWaalsContact OG1-CD 3.31Å; T178-E183 PolarHBondContact OG1-OE1 3.09Å
179K86.9Confident89.5Confident191 Ų19157.6 Ų57.683%0.8328%0.282SS*.THydrogen-bonded Turntrans-55.3-20.1169.157.9174.9-177.8-1780113.6
180N84.7Confident89.5Confident131 Ų13156.7 Ų56.770%0.70128%0.278SS*.THydrogen-bonded Turntrans-980.9-178.8-63.1-11.9000112.9T178T178-N180 PolarHBondContact O-N 3.09Å; T178-N180 PolarHBondContact OG1-N 3.24Å
181G87.4Confident89.5Confident21 Ų2156.1 Ų56.122%0.21628%0.282CS..EExtended strand (participates in β ladder)trans117.6-156-178.800000113T178T178-G181 PolarHBondContact N-O 2.9Å; T178-G181 PolarHBondContact O-N 3.36Å; T178-G181 PolarHBondContact OG1-O 3.21Å
182Y85.5Confident89.6Confident181 Ų18161.1 Ų61.171%0.7130%0.295SS*.EExtended strand (participates in β ladder)trans-82.5120.7177.5-70.7-81000110.6Y177Y177-Y182 HydrophobicContact CD2-CD1 4.31Å; Y177-Y182 HydrophobicContact CD2-CD2 4.48Å; Y177-Y182 HydrophobicContact CD2-CE1 4.07Å; Y177-Y182 HydrophobicContact CD2-CE2 4.24Å; Y177-Y182 HydrophobicContact CE2-CE2 4.5Å
183E87.5Confident89.7Confident68 Ų6862.3 Ų62.332%0.31830%0.301SS..EExtended strand (participates in β ladder)trans-110.1141.2173.5-72.9173.6-154.500109.5Q175 Y176 T178Q175-E183 WeakPolarHBondContact CA-O 3.42Å; Y176-E183 HydrophobicContact CD1-CB 4.32Å; Y176-E183 VanDerWaalsContact CD1-O 3.29Å; Y176-E183 WeakPolarHBondContact CD1-O 3.47Å; Y176-E183 HydrophobicContact CE1-CB 3.57Å; Y176-E183 WeakPolarHBondContact CE1-O 3.42Å; Y176-E183 HydrophobicContact CE2-CB 4.25Å; Y176-E183 PolarHBondContact N-O 2.65Å; Y176-E183 PolarHBondContact O-N 3.16Å; Y176-E183 WeakPolarHBondContact OH-CB 3.34Å; Y176-E183 PolarHBondContact OH-OE2 2.88Å; T178-E183 HydrophobicContact CG2-CB 4.24Å; T178-E183 VanDerWaalsContact CG2-CD 3.41Å; T178-E183 HydrophobicContact CG2-CG 4.1Å; T178-E183 WeakPolarHBondContact CG2-OE2 3.16Å; T178-E183 VanDerWaalsContact OG1-CD 3.31Å; T178-E183 PolarHBondContact OG1-OE1 3.09Å
184T87.9Confident89.9Confident83 Ų8363.3 Ų63.351%0.50931%0.31SS..EExtended strand (participates in β ladder)trans-110.8117.4176.8-59.80000108.5A173 I174 Q175A173-T184 HydrophobicContact CB-CG2 3.45Å; A173-T184 VanDerWaalsContact CB-CG2 3.45Å; I174-T184 WeakPolarHBondContact O-CA 3.5Å; Q175-T184 HydrophobicContact CG-CG2 4.49Å
185I88.4Confident90.2Very high21 Ų2170.3 Ų70.311%0.10834%0.342CS..EExtended strand (participates in β ladder)trans-104.9135.4177.6-87.1171000109.6A173 I174 Y176 Y220A173-I185 CarbonylContact C-O 3.12Å; A173-I185 VanDerWaalsContact CA-O 3.31Å; A173-I185 WeakPolarHBondContact CA-O 3.49Å; I174-I185 PolarHBondContact N-O 3.14Å; I174-I185 PolarHBondContact O-N 3.5Å; Y176-I185 HydrophobicContact CD1-CD1 4.1Å; Y176-I185 HydrophobicContact CD1-CG1 4.41Å; Y176-I185 HydrophobicContact CE1-CB 3.95Å; Y176-I185 HydrophobicContact CE1-CD1 3.18Å; Y176-I185 HydrophobicContact CE1-CG1 3.42Å; Y176-I185 VanDerWaalsContact CE1-CG1 3.42Å; Y176-I185 HydrophobicContact CE2-CD1 4.31Å; Y176-I185 WeakPolarHBondContact OH-CD1 3.5Å; I185-Y220 HydrophobicContact CB-CE2 4.35Å; I185-Y220 HydrophobicContact CD1-CE2 3.79Å; I185-Y220 HydrophobicContact CG1-CE2 3.91Å; I185-Y220 HydrophobicContact CG2-CD2 3.92Å; I185-Y220 HydrophobicContact CG2-CE2 3.51Å
186P91.8Very high90.6Very high88 Ų8872.1 Ų72.157%0.57135%0.354SS*.EExtended strand (participates in β ladder)trans-60.6135166.2-20.732.8000111.7
187A94.2Very high91Very high7 Ų770.7 Ų70.76%0.05835%0.349CS..EExtended strand (participates in β ladder)trans-143.6163.9179.900000111.6G172 I174 F189G172-A187 PolarHBondContact N-O 3.34Å; G172-A187 PolarHBondContact O-N 2.99Å; G172-A187 VanDerWaalsContact O-O 3.13Å; I174-A187 HydrophobicContact CB-CB 4.5Å; I174-A187 HydrophobicContact CD1-CB 3.32Å; I174-A187 HydrophobicContact CG1-CB 3.63Å; A187-F189 HydrophobicContact CB-CE2 3.89Å; A187-F189 HydrophobicContact CB-CZ 4.05Å
188F96.9Very high91.4Very high7 Ų763.8 Ų63.83%0.03132%0.322CS..EExtended strand (participates in β ladder)trans-112.9140.2-178.9-62.8-77.4000110.8R170 E210 I211 V219 K222 L224 V227R170-F188 WeakPolarHBondContact O-CA 3.08Å; F188-E210 WeakPolarHBondContact O-CA 3.33Å; F188-I211 HydrophobicContact CB-CB 4.19Å; F188-I211 HydrophobicContact CB-CD1 4.48Å; F188-I211 PolarHBondContact O-N 2.83Å; F188-V219 HydrophobicContact CD2-CB 3.9Å; F188-V219 HydrophobicContact CD2-CG2 3.69Å; F188-V219 HydrophobicContact CE2-CB 4.25Å; F188-V219 HydrophobicContact CE2-CG2 4.39Å; F188-K222 WeakPolarHBondContact CZ-O 3.32Å; F188-L224 HydrophobicContact CD1-CD1 3.78Å; F188-L224 HydrophobicContact CE1-CB 4Å; F188-L224 HydrophobicContact CE1-CD1 3.75Å; F188-V227 HydrophobicContact CD2-CG2 3.95Å; F188-V227 HydrophobicContact CE1-CG2 4.26Å; F188-V227 HydrophobicContact CE2-CG2 3.61Å; F188-V227 HydrophobicContact CG-CG2 4.39Å; F188-V227 HydrophobicContact CZ-CG2 3.77Å
189F96.9Very high91.9Very high7 Ų762.8 Ų62.83%0.03132%0.316CS..EExtended strand (participates in β ladder)trans-134150.5-178.5-59.6-86.1000111.3I169 R170 I174 A187 S191 D209 E210 N274I169-F189 CarbonylContact C-O 3.49Å; I169-F189 VanDerWaalsContact CA-O 3.24Å; I169-F189 WeakPolarHBondContact CA-O 3.29Å; R170-F189 HydrophobicContact CG-CB 4.01Å; R170-F189 PolarHBondContact N-O 3.03Å; R170-F189 PolarHBondContact O-N 3.42Å; I174-F189 HydrophobicContact CD1-CZ 3.94Å; I174-F189 HydrophobicContact CG1-CE2 4.45Å; I174-F189 HydrophobicContact CG1-CZ 3.68Å; A187-F189 HydrophobicContact CB-CE2 3.89Å; A187-F189 HydrophobicContact CB-CZ 4.05Å; F189-S191 PolarHBondContact O-N 3.29Å; F189-D209 CarbonylContact C-O 3.39Å; F189-D209 VanDerWaalsContact CA-O 3.23Å; F189-D209 WeakPolarHBondContact CA-O 3.42Å; F189-E210 HydrophobicContact CD1-CB 3.99Å; F189-E210 HydrophobicContact CD1-CG 4.47Å; F189-E210 HydrophobicContact CE1-CB 3.76Å; F189-E210 HydrophobicContact CE1-CG 3.99Å; F189-E210 HydrophobicContact CZ-CG 4.48Å; F189-N274 WeakPolarHBondContact CD1-ND2 3.29Å; F189-N274 WeakPolarHBondContact CE1-ND2 3.15Å; F189-N274 HydrophobicContact CZ-CB 4.39Å; F189-N274 WeakPolarHBondContact CZ-ND2 3.37Å
190I96.6Very high92.2Very high0 Ų059.5 Ų59.50%030%0.299CS..EExtended strand (participates in β ladder)trans-67.9119.6167.7-55.7-176.7000108.4L167 L193 L205 A206 N208 D209 I211L167-I190 HydrophobicContact CD1-CB 4.49Å; L167-I190 HydrophobicContact CD1-CD1 3.47Å; L167-I190 VanDerWaalsContact CD1-CD1 3.47Å; L167-I190 HydrophobicContact CD1-CG1 3.77Å; L167-I190 HydrophobicContact CD1-CG2 3.97Å; L167-I190 HydrophobicContact CG-CG2 4.31Å; I190-L193 HydrophobicContact CG2-CD2 3.81Å; I190-L193 HydrophobicContact CG2-CG 4.05Å; I190-L205 HydrophobicContact CD1-CB 3.92Å; I190-L205 HydrophobicContact CD1-CD1 4.31Å; I190-L205 HydrophobicContact CD1-CD2 4.26Å; I190-L205 HydrophobicContact CD1-CG 4.4Å; I190-A206 WeakPolarHBondContact CB-O 3.34Å; I190-A206 WeakPolarHBondContact CD1-O 3.42Å; I190-N208 PolarHBondContact O-N 3.3Å; I190-D209 HydrophobicContact CD1-CB 3.89Å; I190-D209 HydrophobicContact CG1-CB 4.22Å; I190-D209 PolarHBondContact N-O 3.11Å; I190-I211 HydrophobicContact CG1-CD1 4.42Å; I190-I211 HydrophobicContact CG1-CG1 4.45Å
191S96.2Very high92.6Very high42 Ų4257.7 Ų57.729%0.29429%0.29SS..EExtended strand (participates in β ladder)trans-95.6-33.9-179.464.80000112.8N168 F189N168-S191 WeakPolarHBondContact CB-OG 3.11Å; N168-S191 PolarHBondContact O-N 3.43Å; N168-S191 PolarHBondContact O-OG 3.13Å; N168-S191 VanDerWaalsContact O-OG 3.11Å; F189-S191 PolarHBondContact O-N 3.29Å
192R96Very high92.8Very high156 Ų15658.1 Ų58.159%0.58929%0.288SS*.EExtended strand (participates in β ladder)trans-154.9146.3179.5-175.6179.3-65120.22.3110.3N168N168-R192 HydrophobicContact CB-CB 4.16Å; N168-R192 PolarHBondContact N-O 2.84Å; N168-R192 PolarHBondContact O-N 2.82Å
193L95.3Very high93.1Very high24 Ų2452.3 Ų52.313%0.12628%0.283CS..EExtended strand (participates in β ladder)trans-114.1133.6165.3-62.5174000108.3G166 L167 I190 A199 Y200 L205 V207G166-L193 CarbonylContact O-C 3.58Å; G166-L193 WeakPolarHBondContact O-CA 3.44Å; L167-L193 HydrophobicContact CB-CD2 4.04Å; L167-L193 HydrophobicContact CD1-CD2 3.85Å; L167-L193 HydrophobicContact CG-CD2 4.24Å; I190-L193 HydrophobicContact CG2-CD2 3.81Å; I190-L193 HydrophobicContact CG2-CG 4.05Å; L193-A199 HydrophobicContact CD2-CB 3.83Å; L193-Y200 HydrophobicContact CB-CD2 4.12Å; L193-L205 VanDerWaalsContact CD1-O 3.31Å; L193-L205 WeakPolarHBondContact CD1-O 3.24Å; L193-V207 HydrophobicContact CG-CG2 4.43Å
194A94.9Very high93.4Very high28 Ų2850.5 Ų50.523%0.23128%0.276CS..  trans-81.7130.4174.400000109.1G166 D196 G197 Y200G166-A194 PolarHBondContact O-N 2.79Å; A194-D196 WeakPolarHBondContact CB-OD1 3.17Å; A194-D196 PolarHBondContact O-N 2.78Å; A194-G197 WeakPolarHBondContact O-CA 3.45Å; A194-G197 PolarHBondContact O-N 3.47Å; A194-Y200 WeakPolarHBondContact O-CB 3.49Å
195E93.2Very high93.7Very high150 Ų15047.1 Ų47.170%0.70125%0.254SS*.THydrogen-bonded Turntrans-60.7-27.7-174.4-63.9177.5-179.200113.3Y200E195-Y200 HydrophobicContact CB-CD1 4.41Å; E195-Y200 HydrophobicContact CB-CE1 4.33Å; E195-Y200 VanDerWaalsContact O-CD1 3.24Å; E195-Y200 WeakPolarHBondContact O-CD1 3.2Å
196D91.6Very high94Very high109 Ų10948.2 Ų48.258%0.58327%0.266SS*.THydrogen-bonded Turntrans-88.8-8.3176.366.5-28.9000113.6A194 N201A194-D196 WeakPolarHBondContact CB-OD1 3.17Å; A194-D196 PolarHBondContact O-N 2.78Å; D196-N201 PolarHBondContact O-ND2 3.02Å
197G91.2Very high94.2Very high1 Ų147.1 Ų47.11%0.0126%0.258CS..SBendtrans-75.8154.2-176.100000113.8F165 A194 A199 Y200 N201F165-G197 CarbonylContact O-C 3.56Å; F165-G197 WeakPolarHBondContact O-CA 3.31Å; A194-G197 WeakPolarHBondContact O-CA 3.45Å; A194-G197 PolarHBondContact O-N 3.47Å; G197-A199 VanDerWaalsContact C-N 3.31Å; G197-A199 PolarHBondContact O-N 2.77Å; G197-Y200 PolarHBondContact O-N 3.02Å; G197-N201 PolarHBondContact O-N 3.33Å; G197-N201 VanDerWaalsContact O-N 3.16Å; G197-N201 PolarHBondContact O-ND2 2.93Å
198I92.1Very high94.2Very high3 Ų350.4 Ų50.42%0.01528%0.275CS..Hα-helixtrans-60.9-41.2175.9-62.2164.2000110.9V139 L157 K163 Q164 F165 Y200 N201 T202V139-I198 HydrophobicContact CG1-CG2 3.46Å; V139-I198 VanDerWaalsContact CG1-CG2 3.46Å; L157-I198 HydrophobicContact CD2-CG2 4.4Å; K163-I198 HydrophobicContact CB-CD1 4.21Å; K163-I198 HydrophobicContact CB-CG1 4.24Å; Q164-I198 PolarHBondContact O-N 3.29Å; Q164-I198 VanDerWaalsContact O-N 3.17Å; F165-I198 HydrophobicContact CD1-CB 4.23Å; F165-I198 HydrophobicContact CD1-CD1 4.02Å; F165-I198 HydrophobicContact CD1-CG2 4.46Å; F165-I198 HydrophobicContact CE1-CD1 4.39Å; F165-I198 PolarHBondContact O-N 3.11Å; I198-Y200 VanDerWaalsContact C-N 3.32Å; I198-Y200 PolarHBondContact O-N 2.8Å; I198-N201 PolarHBondContact O-N 3.48Å; I198-T202 HydrophobicContact CG2-CG2 4.03Å; I198-T202 WeakPolarHBondContact O-CG2 3.37Å; I198-T202 PolarHBondContact O-N 2.84Å; I198-T202 VanDerWaalsContact O-N 3.09Å; I198-T202 PolarHBondContact O-OG1 3.28Å
199A93.9Very high94.1Very high0 Ų050.1 Ų50.10%027%0.274CS..Hα-helixtrans-62.3-37.1-178.200000113.1L157 F165 L167 L193 G197 T202 L205L157-A199 HydrophobicContact CD1-CB 4.13Å; F165-A199 VanDerWaalsContact O-CB 3.26Å; F165-A199 WeakPolarHBondContact O-CB 3.09Å; F165-A199 PolarHBondContact O-N 2.83Å; L167-A199 HydrophobicContact CB-CB 4.1Å; L193-A199 HydrophobicContact CD2-CB 3.83Å; G197-A199 VanDerWaalsContact C-N 3.31Å; G197-A199 PolarHBondContact O-N 2.77Å; A199-T202 PolarHBondContact O-OG1 3.29Å; A199-L205 HydrophobicContact CB-CD1 4.14Å
200Y94Very high94.1Very high123 Ų12350.9 Ų50.948%0.48228%0.277SS..Hα-helixtrans-70.8-46.1174.7-177.1-95.9000111.4L193 A194 E195 G197 I198 T202 G203L193-Y200 HydrophobicContact CB-CD2 4.12Å; A194-Y200 WeakPolarHBondContact O-CB 3.49Å; E195-Y200 HydrophobicContact CB-CD1 4.41Å; E195-Y200 HydrophobicContact CB-CE1 4.33Å; E195-Y200 VanDerWaalsContact O-CD1 3.24Å; E195-Y200 WeakPolarHBondContact O-CD1 3.2Å; G197-Y200 PolarHBondContact O-N 3.02Å; I198-Y200 VanDerWaalsContact C-N 3.32Å; I198-Y200 PolarHBondContact O-N 2.8Å; Y200-T202 VanDerWaalsContact C-N 3.27Å; Y200-T202 PolarHBondContact O-N 3.5Å; Y200-G203 PolarHBondContact O-N 2.84Å
201N92Very high94.1Very high93 Ų9351 Ų5150%0.49728%0.278SS..Hα-helixtrans-66.2-25.5-175.2-73.8-42.6000114.2D196 G197 I198D196-N201 PolarHBondContact O-ND2 3.02Å; G197-N201 PolarHBondContact O-N 3.33Å; G197-N201 VanDerWaalsContact O-N 3.16Å; G197-N201 PolarHBondContact O-ND2 2.93Å; I198-N201 PolarHBondContact O-N 3.48Å
202T91.7Very high94.1Very high29 Ų2950.7 Ų50.718%0.17827%0.272CS..Hα-helixtrans-78.8-22.6179.261.30000112.6V139 S140 L157 I198 A199 Y200 L204V139-T202 HydrophobicContact CG1-CG2 4.1Å; S140-T202 VanDerWaalsContact CB-CG2 3.43Å; S140-T202 WeakPolarHBondContact OG-CG2 3.34Å; L157-T202 HydrophobicContact CD2-CG2 4.07Å; I198-T202 HydrophobicContact CG2-CG2 4.03Å; I198-T202 WeakPolarHBondContact O-CG2 3.37Å; I198-T202 PolarHBondContact O-N 2.84Å; I198-T202 VanDerWaalsContact O-N 3.09Å; I198-T202 PolarHBondContact O-OG1 3.28Å; A199-T202 PolarHBondContact O-OG1 3.29Å; Y200-T202 VanDerWaalsContact C-N 3.27Å; Y200-T202 PolarHBondContact O-N 3.5Å; T202-L204 PolarHBondContact O-N 3.44Å; T202-L204 VanDerWaalsContact O-N 3.16Å
203G93Very high94.2Very high60 Ų6044.9 Ų44.962%0.61925%0.252SS*.  trans65.310.2-176.400000114.5Y200Y200-G203 PolarHBondContact O-N 2.84Å
204L93.8Very high94.3Very high30 Ų3043.8 Ų43.816%0.15725%0.246CC..SBendtrans-88.6-15.1-176.3-62.7-178.1000113.5I142 R153 V155 T202I142-L204 HydrophobicContact CD1-CD2 3.85Å; I142-L204 HydrophobicContact CG1-CD1 4.05Å; I142-L204 HydrophobicContact CG1-CD2 3.93Å; R153-L204 PolarHBondContact NH1-O 2.8Å; V155-L204 HydrophobicContact CG1-CB 3.93Å; V155-L204 HydrophobicContact CG1-CD1 3.71Å; V155-L204 HydrophobicContact CG1-CG 4.49Å; V155-L204 HydrophobicContact CG2-CB 4.04Å; T202-L204 PolarHBondContact O-N 3.44Å; T202-L204 VanDerWaalsContact O-N 3.16Å
205L94.6Very high94.4Very high11 Ų1144.7 Ų44.76%0.05825%0.247CC..  trans-125.5148.1-178.6-60.8177.9000110V155 L157 L167 I190 L193 A199 I240 I242V155-L205 HydrophobicContact CB-CD2 4.44Å; V155-L205 HydrophobicContact CG2-CD2 4.08Å; L157-L205 HydrophobicContact CD1-CD1 3.94Å; L167-L205 HydrophobicContact CD1-CD1 3.84Å; I190-L205 HydrophobicContact CD1-CB 3.92Å; I190-L205 HydrophobicContact CD1-CD1 4.31Å; I190-L205 HydrophobicContact CD1-CD2 4.26Å; I190-L205 HydrophobicContact CD1-CG 4.4Å; L193-L205 VanDerWaalsContact CD1-O 3.31Å; L193-L205 WeakPolarHBondContact CD1-O 3.24Å; A199-L205 HydrophobicContact CB-CD1 4.14Å; L205-I240 HydrophobicContact CD1-CG2 4.29Å; L205-I240 HydrophobicContact CD2-CG2 4.14Å; L205-I242 HydrophobicContact CD2-CD1 3.74Å; L205-I242 HydrophobicContact CD2-CG1 4.07Å; L205-I242 HydrophobicContact CD2-CG2 4.13Å
206A94.6Very high94.5Very high44 Ų4440.3 Ų40.336%0.36424%0.242SC..  trans-133.3158.8178.500000111.8I190 N208 D209I190-A206 WeakPolarHBondContact CB-O 3.34Å; I190-A206 WeakPolarHBondContact CD1-O 3.42Å; A206-N208 PolarHBondContact O-N 3.44Å; A206-D209 PolarHBondContact N-OD2 2.86Å; A206-D209 WeakPolarHBondContact O-CB 3.47Å; A206-D209 VanDerWaalsContact O-CG 3.23Å; A206-D209 PolarHBondContact O-N 2.92Å
207V94.6Very high94.8Very high66 Ų6639.2 Ų39.240%0.424%0.236SC..THydrogen-bonded Turntrans-63.1138.6171.4179.20000109.1L193L193-V207 HydrophobicContact CG-CG2 4.43Å
208N94.9Very high95Very high75 Ų7545.1 Ų45.140%0.40126%0.263SS..THydrogen-bonded Turntrans77.12.8-174.2-55.2-54.3000116.8R170 I190 A206 E210 A245R170-N208 PolarHBondContact NH2-OD1 3.16Å; I190-N208 PolarHBondContact O-N 3.3Å; A206-N208 PolarHBondContact O-N 3.44Å; N208-E210 PolarHBondContact O-N 3.01Å; N208-A245 HydrophobicContact CB-CB 3.96Å
209D95.8Very high95.2Very high2 Ų245.3 Ų45.31%0.01126%0.264CS..PPolyproline II helixtrans-60.2136.8167.8-66-13.5000110F189 I190 A206 I242 P244 A245F189-D209 CarbonylContact C-O 3.39Å; F189-D209 VanDerWaalsContact CA-O 3.23Å; F189-D209 WeakPolarHBondContact CA-O 3.42Å; I190-D209 HydrophobicContact CD1-CB 3.89Å; I190-D209 HydrophobicContact CG1-CB 4.22Å; I190-D209 PolarHBondContact N-O 3.11Å; A206-D209 PolarHBondContact N-OD2 2.86Å; A206-D209 WeakPolarHBondContact O-CB 3.47Å; A206-D209 VanDerWaalsContact O-CG 3.23Å; A206-D209 PolarHBondContact O-N 2.92Å; D209-I242 HydrophobicContact CB-CB 4.35Å; D209-I242 HydrophobicContact CB-CD1 3.86Å; D209-I242 WeakPolarHBondContact OD2-CD1 3.43Å; D209-P244 WeakPolarHBondContact OD1-CA 3.23Å; D209-A245 PolarHBondContact OD1-N 2.74Å
210E95.7Very high95.3Very high22 Ų2252.2 Ų52.210%0.10329%0.291CS..EExtended strand (participates in β ladder)trans-83.6132.5176.8-176.6-167.2172.200109.3I174 F188 F189 N208 I212 I242 R243I174-E210 HydrophobicContact CD1-CG 3.86Å; I174-E210 WeakPolarHBondContact CD1-OE1 3.47Å; F188-E210 WeakPolarHBondContact O-CA 3.33Å; F189-E210 HydrophobicContact CD1-CB 3.99Å; F189-E210 HydrophobicContact CD1-CG 4.47Å; F189-E210 HydrophobicContact CE1-CB 3.76Å; F189-E210 HydrophobicContact CE1-CG 3.99Å; F189-E210 HydrophobicContact CZ-CG 4.48Å; N208-E210 PolarHBondContact O-N 3.01Å; E210-I212 HydrophobicContact CB-CD1 4.49Å; E210-I212 VanDerWaalsContact CD-CD1 3.44Å; E210-I212 HydrophobicContact CG-CD1 3.79Å; E210-I212 WeakPolarHBondContact OE1-CD1 3.31Å; E210-I242 CarbonylContact O-C 3.54Å; E210-I242 WeakPolarHBondContact O-CA 3.31Å; E210-I242 VanDerWaalsContact O-CB 3.31Å; E210-I242 WeakPolarHBondContact O-CB 3.26Å; E210-R243 HydrophobicContact CB-CB 4.06Å; E210-R243 PolarHBondContact N-O 3.02Å; E210-R243 PolarHBondContact O-N 3.31Å; E210-R243 WeakPolarHBondContact OE2-CD 3.07Å; E210-R243 IonicContact OE2-NE 3.06Å; E210-R243 PolarHBondContact OE2-NE 2.91Å
211I97.2Very high95.2Very high3 Ų349.7 Ų49.72%0.01530%0.303CS..EExtended strand (participates in β ladder)trans-91.8126.1176.9-57.6172.1000108.6I169 F188 I190 V214 V219 I240 I242I169-I211 HydrophobicContact CB-CD1 4.18Å; I169-I211 HydrophobicContact CG2-CD1 3.34Å; F188-I211 HydrophobicContact CB-CB 4.19Å; F188-I211 HydrophobicContact CB-CD1 4.48Å; F188-I211 PolarHBondContact O-N 2.83Å; I190-I211 HydrophobicContact CG1-CD1 4.42Å; I190-I211 HydrophobicContact CG1-CG1 4.45Å; I211-V214 HydrophobicContact CG2-CG2 4.16Å; I211-V219 HydrophobicContact CG2-CG1 4.05Å; I211-V219 HydrophobicContact CG2-CG2 4.41Å; I211-V219 WeakPolarHBondContact O-CG2 3.49Å; I211-I240 HydrophobicContact CB-CD1 4.5Å; I211-I240 HydrophobicContact CD1-CD1 3.93Å; I211-I240 HydrophobicContact CG1-CD1 3.88Å; I211-I240 HydrophobicContact CG2-CD1 3.91Å; I211-I240 HydrophobicContact CG2-CG1 3.96Å; I211-I242 HydrophobicContact CG1-CG2 4.37Å
212I96.6Very high95.4Very high35 Ų3549.4 Ų49.418%0.17930%0.297CS..EExtended strand (participates in β ladder)trans-106-44.9-178.7-48.3-59.8000110.7L152 E210 V219 T241L152-I212 HydrophobicContact CD2-CG1 3.96Å; E210-I212 HydrophobicContact CB-CD1 4.49Å; E210-I212 VanDerWaalsContact CD-CD1 3.44Å; E210-I212 HydrophobicContact CG-CD1 3.79Å; E210-I212 WeakPolarHBondContact OE1-CD1 3.31Å; I212-V219 PolarHBondContact O-N 3.37Å; I212-T241 WeakPolarHBondContact CB-O 3.48Å; I212-T241 PolarHBondContact N-O 3.31Å
213E97.2Very high95.6Very high35 Ų3550.6 Ų50.616%0.16431%0.307CS..EExtended strand (participates in β ladder)trans-141.5149.5-176.8-52.1169.3156.700111.4R154 I217 E218 I240 T241R154-E213 IonicContact CZ-OE2 2.66Å; R154-E213 IonicContact NE-OE2 3.97Å; R154-E213 IonicContact NH2-OE1 3.66Å; R154-E213 IonicContact NH2-OE2 3.71Å; R154-E213 PolarHBondContact NH2-OE2 3.46Å; E213-I217 VanDerWaalsContact CA-O 3.31Å; E213-I217 WeakPolarHBondContact CA-O 3.38Å; E213-E218 HydrophobicContact CG-CG 4.35Å; E213-I240 WeakPolarHBondContact O-CA 3.36Å; E213-T241 PolarHBondContact N-O 2.92Å; E213-T241 PolarHBondContact O-N 3.09Å; E213-T241 WeakPolarHBondContact OE2-CB 3.47Å; E213-T241 PolarHBondContact OE2-OG1 3.49Å
214V97.7Very high95.7Very high1 Ų150.4 Ų50.41%0.00629%0.291CS..EExtended strand (participates in β ladder)trans-125.9118.8168.2177.40000108.3I211 G216 I217 V219 M230 M231 L238 I239 I240I211-V214 HydrophobicContact CG2-CG2 4.16Å; V214-G216 PolarHBondContact O-N 3.19Å; V214-I217 PolarHBondContact N-O 3.3Å; V214-I217 WeakPolarHBondContact O-CB 3.21Å; V214-I217 PolarHBondContact O-N 3.23Å; V214-V219 HydrophobicContact CG2-CG1 3.99Å; V214-M230 HydrophobicContact CB-CE 4.14Å; V214-M230 HydrophobicContact CG1-CB 4.29Å; V214-M231 HydrophobicContact CG1-CG 3.97Å; V214-M231 HydrophobicContact CG2-CG 3.96Å; V214-L238 HydrophobicContact CG1-CD1 3.73Å; V214-I239 CarbonylContact C-O 3.56Å; V214-I239 WeakPolarHBondContact CA-O 3.11Å; V214-I240 HydrophobicContact CG2-CG1 4.5Å
215N97Very high95.8Very high47 Ų4753.9 Ų53.925%0.25131%0.31SS..THydrogen-bonded Turntrans48.141.5-177.4-72.454.7000113.3I217 N234 N237 I239N215-I217 VanDerWaalsContact C-N 3.33Å; N215-N234 HydrophobicContact CB-CB 4.49Å; N215-N234 WeakPolarHBondContact ND2-CB 3.49Å; N215-N234 PolarHBondContact ND2-OD1 3.07Å; N215-N237 PolarHBondContact ND2-O 3.3Å; N215-I239 PolarHBondContact N-O 3.14Å; N215-I239 PolarHBondContact OD1-N 3.14Å; N215-I239 PolarHBondContact OD1-O 3.29Å
216G95.5Very high95.9Very high58 Ų5857.7 Ų57.760%0.59833%0.328SS*.THydrogen-bonded Turntrans815.8179.200000115.1V214V214-G216 PolarHBondContact O-N 3.19Å
217I97.1Very high96.1Very high86 Ų8655.6 Ų55.644%0.44131%0.31SS..EExtended strand (participates in β ladder)trans-105121.7174.9-55.9171.5000108.6E213 V214 N215 M230E213-I217 VanDerWaalsContact CA-O 3.31Å; E213-I217 WeakPolarHBondContact CA-O 3.38Å; V214-I217 PolarHBondContact N-O 3.3Å; V214-I217 WeakPolarHBondContact O-CB 3.21Å; V214-I217 PolarHBondContact O-N 3.23Å; N215-I217 VanDerWaalsContact C-N 3.33Å; I217-M230 HydrophobicContact CB-CE 3.54Å; I217-M230 HydrophobicContact CD1-CE 4.26Å; I217-M230 HydrophobicContact CG1-CE 4.49Å; I217-M230 HydrophobicContact CG2-CE 3.44Å; I217-M230 VanDerWaalsContact CG2-CE 3.44Å; I217-M230 HydrophobicContact CG2-SD 4.45Å
218E96.9Very high96.1Very high124 Ų12455 Ų5558%0.57931%0.305SS*.EExtended strand (participates in β ladder)trans-61.7138.2174.7-65-177.6170.400111.3E213 Y220E213-E218 HydrophobicContact CG-CG 4.35Å; E218-Y220 VanDerWaalsContact C-N 3.33Å
219V96.5Very high96.2Very high7 Ų756.5 Ų56.54%0.04231%0.313CS..  trans-86.5-7.5178.7-57.50000113.1F188 I211 I212 V214 G221 K222 V227F188-V219 HydrophobicContact CD2-CB 3.9Å; F188-V219 HydrophobicContact CD2-CG2 3.69Å; F188-V219 HydrophobicContact CE2-CB 4.25Å; F188-V219 HydrophobicContact CE2-CG2 4.39Å; I211-V219 HydrophobicContact CG2-CG1 4.05Å; I211-V219 HydrophobicContact CG2-CG2 4.41Å; I211-V219 WeakPolarHBondContact O-CG2 3.49Å; I212-V219 PolarHBondContact O-N 3.37Å; V214-V219 HydrophobicContact CG2-CG1 3.99Å; V219-G221 PolarHBondContact O-N 2.93Å; V219-K222 WeakPolarHBondContact O-CB 3.37Å; V219-K222 WeakPolarHBondContact O-CG 3.19Å; V219-K222 PolarHBondContact O-N 3.05Å; V219-K222 VanDerWaalsContact O-N 3.14Å; V219-V227 HydrophobicContact CB-CG2 3.9Å; V219-V227 HydrophobicContact CG1-CG1 4.01Å; V219-V227 HydrophobicContact CG1-CG2 4.04Å
220Y94.1Very high96.2Very high145 Ų14557.8 Ų57.857%0.56932%0.319SS*.THydrogen-bonded Turntrans-59.7130.6179.8-177.4-99.8000111.2I185 E218 K222I185-Y220 HydrophobicContact CB-CE2 4.35Å; I185-Y220 HydrophobicContact CD1-CE2 3.79Å; I185-Y220 HydrophobicContact CG1-CE2 3.91Å; I185-Y220 HydrophobicContact CG2-CD2 3.92Å; I185-Y220 HydrophobicContact CG2-CE2 3.51Å; E218-Y220 VanDerWaalsContact C-N 3.33Å; Y220-K222 PolarHBondContact O-N 2.97Å
221G92.6Very high96.2Very high71 Ų7157.7 Ų57.773%0.73232%0.319SS*.THydrogen-bonded Turntrans74.16.2-178.800000115.5V219V219-G221 PolarHBondContact O-N 2.93Å
222K95.3Very high96.1Very high87 Ų8760.9 Ų60.938%0.37834%0.339SS..  trans-87.9155.9172.9-57.4-63.8-178.3179.10111.2F188 V219 Y220 Q226 V227F188-K222 WeakPolarHBondContact CZ-O 3.32Å; V219-K222 WeakPolarHBondContact O-CB 3.37Å; V219-K222 WeakPolarHBondContact O-CG 3.19Å; V219-K222 PolarHBondContact O-N 3.05Å; V219-K222 VanDerWaalsContact O-N 3.14Å; Y220-K222 PolarHBondContact O-N 2.97Å; K222-Q226 HydrophobicContact CB-CB 4.22Å; K222-V227 HydrophobicContact CB-CG2 3.75Å
223S95.9Very high96Very high54 Ų5463.1 Ų63.138%0.37836%0.362SS..  trans-79.1159.8167.473.20000111.2D225 Q226 V227S223-D225 PolarHBondContact O-N 2.84Å; S223-Q226 WeakPolarHBondContact O-CB 3.49Å; S223-Q226 PolarHBondContact O-N 2.92Å; S223-Q226 VanDerWaalsContact O-N 3.14Å; S223-Q226 VanDerWaalsContact OG-CG 3.3Å; S223-Q226 WeakPolarHBondContact OG-CG 3.23Å; S223-Q226 PolarHBondContact OG-N 2.8Å; S223-V227 WeakPolarHBondContact O-CG2 3.44Å; S223-V227 PolarHBondContact O-N 2.97Å
224L95.6Very high95.8Very high55 Ų5563.7 Ų63.729%0.28837%0.366SS..Hα-helixtrans-54.8-42.2175-176.565000111.8I169 F188 V227 N228I169-L224 HydrophobicContact CD1-CD1 3.68Å; I169-L224 HydrophobicContact CG1-CD1 3.76Å; F188-L224 HydrophobicContact CD1-CD1 3.78Å; F188-L224 HydrophobicContact CE1-CB 4Å; F188-L224 HydrophobicContact CE1-CD1 3.75Å; L224-V227 PolarHBondContact O-N 3.45Å; L224-N228 WeakPolarHBondContact O-CB 3.49Å; L224-N228 PolarHBondContact O-N 2.83Å; L224-N228 PolarHBondContact O-ND2 2.85Å
225D96.8Very high95.5Very high104 Ų10465.3 Ų65.356%0.55638%0.378SS*.Hα-helixtrans-64.8-42.3178.6-60.6-31.2000111.5S223 V227 N228 D229S223-D225 PolarHBondContact O-N 2.84Å; D225-V227 VanDerWaalsContact C-N 3.35Å; D225-V227 PolarHBondContact O-N 2.85Å; D225-N228 WeakPolarHBondContact O-CB 3.47Å; D225-N228 PolarHBondContact O-N 2.87Å; D225-D229 WeakPolarHBondContact O-CB 3.46Å; D225-D229 VanDerWaalsContact O-CG 3.25Å; D225-D229 PolarHBondContact O-N 3.17Å
226Q97.2Very high95.3Very high91 Ų9167.3 Ų67.343%0.42540%0.395SS..Hα-helixtrans-61.8-42.2175.5-74.9173.4-19.200112.2K222 S223 D229 M230K222-Q226 HydrophobicContact CB-CB 4.22Å; S223-Q226 WeakPolarHBondContact O-CB 3.49Å; S223-Q226 PolarHBondContact O-N 2.92Å; S223-Q226 VanDerWaalsContact O-N 3.14Å; S223-Q226 VanDerWaalsContact OG-CG 3.3Å; S223-Q226 WeakPolarHBondContact OG-CG 3.23Å; S223-Q226 PolarHBondContact OG-N 2.8Å; Q226-D229 PolarHBondContact O-N 2.81Å; Q226-M230 WeakPolarHBondContact O-CB 3.47Å; Q226-M230 WeakPolarHBondContact O-CG 3.31Å; Q226-M230 PolarHBondContact O-N 3.04Å
227V96.9Very high95.2Very high0 Ų067.7 Ų67.70%038%0.383CS..Hα-helixtrans-65.9-42.4177.2179.40000110.5I169 F188 V219 K222 S223 L224 D225 D229 M230 M231I169-V227 HydrophobicContact CD1-CB 4.08Å; I169-V227 HydrophobicContact CD1-CG1 3.63Å; F188-V227 HydrophobicContact CD2-CG2 3.95Å; F188-V227 HydrophobicContact CE1-CG2 4.26Å; F188-V227 HydrophobicContact CE2-CG2 3.61Å; F188-V227 HydrophobicContact CG-CG2 4.39Å; F188-V227 HydrophobicContact CZ-CG2 3.77Å; V219-V227 HydrophobicContact CB-CG2 3.9Å; V219-V227 HydrophobicContact CG1-CG1 4.01Å; V219-V227 HydrophobicContact CG1-CG2 4.04Å; K222-V227 HydrophobicContact CB-CG2 3.75Å; S223-V227 WeakPolarHBondContact O-CG2 3.44Å; S223-V227 PolarHBondContact O-N 2.97Å; L224-V227 PolarHBondContact O-N 3.45Å; D225-V227 VanDerWaalsContact C-N 3.35Å; D225-V227 PolarHBondContact O-N 2.85Å; V227-D229 PolarHBondContact O-N 2.86Å; V227-M230 WeakPolarHBondContact O-CB 3.5Å; V227-M230 PolarHBondContact O-N 2.99Å; V227-M231 HydrophobicContact CG1-SD 4.45Å; V227-M231 VanDerWaalsContact O-CG 3.31Å; V227-M231 WeakPolarHBondContact O-CG 3.31Å; V227-M231 PolarHBondContact O-N 3Å
228N95.9Very high95.1Very high52 Ų5263.7 Ų63.728%0.27836%0.363SS..Hα-helixtrans-58.3-47.6173.5-79.1-27.1000111.6I169 L224 D225 M230 M231 V232I169-N228 WeakPolarHBondContact CD1-OD1 3.49Å; I169-N228 WeakPolarHBondContact CG1-OD1 3.48Å; L224-N228 WeakPolarHBondContact O-CB 3.49Å; L224-N228 PolarHBondContact O-N 2.83Å; L224-N228 PolarHBondContact O-ND2 2.85Å; D225-N228 WeakPolarHBondContact O-CB 3.47Å; D225-N228 PolarHBondContact O-N 2.87Å; N228-M230 VanDerWaalsContact C-N 3.32Å; N228-M230 PolarHBondContact O-N 3.4Å; N228-M231 PolarHBondContact O-N 2.81Å; N228-M231 VanDerWaalsContact O-N 3.14Å; N228-V232 WeakPolarHBondContact O-CG2 3.17Å; N228-V232 PolarHBondContact O-N 3.47Å
229D96.4Very high95.2Very high108 Ų10859.7 Ų59.758%0.57835%0.345SS*.Hα-helixtrans-61.1-41.6178.6-72.6-18.3000111.5D225 Q226 V227 M231 V232 A233D225-D229 WeakPolarHBondContact O-CB 3.46Å; D225-D229 VanDerWaalsContact O-CG 3.25Å; D225-D229 PolarHBondContact O-N 3.17Å; Q226-D229 PolarHBondContact O-N 2.81Å; V227-D229 PolarHBondContact O-N 2.86Å; D229-M231 VanDerWaalsContact C-N 3.33Å; D229-M231 PolarHBondContact O-N 2.83Å; D229-V232 PolarHBondContact O-N 3.43Å; D229-A233 VanDerWaalsContact O-CB 3.23Å; D229-A233 WeakPolarHBondContact O-CB 3.33Å; D229-A233 PolarHBondContact O-N 3.08Å
230M96.6Very high95.2Very high29 Ų2959.4 Ų59.414%0.14334%0.343CS..Hα-helixtrans-59.8-42.7174.7-72.5166.357.500111.7V214 I217 Q226 V227 N228 N234V214-M230 HydrophobicContact CB-CE 4.14Å; V214-M230 HydrophobicContact CG1-CB 4.29Å; I217-M230 HydrophobicContact CB-CE 3.54Å; I217-M230 HydrophobicContact CD1-CE 4.26Å; I217-M230 HydrophobicContact CG1-CE 4.49Å; I217-M230 HydrophobicContact CG2-CE 3.44Å; I217-M230 VanDerWaalsContact CG2-CE 3.44Å; I217-M230 HydrophobicContact CG2-SD 4.45Å; Q226-M230 WeakPolarHBondContact O-CB 3.47Å; Q226-M230 WeakPolarHBondContact O-CG 3.31Å; Q226-M230 PolarHBondContact O-N 3.04Å; V227-M230 WeakPolarHBondContact O-CB 3.5Å; V227-M230 PolarHBondContact O-N 2.99Å; N228-M230 VanDerWaalsContact C-N 3.32Å; N228-M230 PolarHBondContact O-N 3.4Å; M230-N234 PolarHBondContact O-N 2.82Å; M230-N234 PolarHBondContact O-ND2 3.24Å
231M95.8Very high95.3Very high19 Ų1952.6 Ų52.69%0.09432%0.317CS..Hα-helixtrans-68-40.2177.8-67.3-177.569.200112.3L167 I169 V214 V227 N228 D229 N234 S235 L238 I240L167-M231 HydrophobicContact CD2-CE 3.18Å; L167-M231 HydrophobicContact CD2-SD 4.23Å; I169-M231 HydrophobicContact CD1-SD 4.31Å; I169-M231 HydrophobicContact CG2-SD 4.11Å; V214-M231 HydrophobicContact CG1-CG 3.97Å; V214-M231 HydrophobicContact CG2-CG 3.96Å; V227-M231 HydrophobicContact CG1-SD 4.45Å; V227-M231 VanDerWaalsContact O-CG 3.31Å; V227-M231 WeakPolarHBondContact O-CG 3.31Å; V227-M231 PolarHBondContact O-N 3Å; N228-M231 PolarHBondContact O-N 2.81Å; N228-M231 VanDerWaalsContact O-N 3.14Å; D229-M231 VanDerWaalsContact C-N 3.33Å; D229-M231 PolarHBondContact O-N 2.83Å; M231-N234 CarbonylContact O-C 3.41Å; M231-N234 PolarHBondContact O-N 3.11Å; M231-S235 PolarHBondContact O-N 2.82Å; M231-L238 HydrophobicContact CB-CD1 4.26Å; M231-L238 HydrophobicContact CE-CD2 3.72Å; M231-L238 HydrophobicContact CG-CD1 4.21Å; M231-I240 HydrophobicContact CE-CD1 4.4Å
232V93.4Very high95.5Very high71 Ų7149.2 Ų49.243%0.4328%0.282SS..Hα-helixtrans-68-41.5177.9172.60000111.1N228 D229 N234 S235N228-V232 WeakPolarHBondContact O-CG2 3.17Å; N228-V232 PolarHBondContact O-N 3.47Å; D229-V232 PolarHBondContact O-N 3.43Å; V232-N234 PolarHBondContact O-N 2.79Å; V232-S235 WeakPolarHBondContact O-CB 3.38Å; V232-S235 PolarHBondContact O-N 3.26Å; V232-S235 VanDerWaalsContact O-N 3.09Å; V232-S235 PolarHBondContact O-OG 3.43Å
233A94.8Very high95.5Very high81 Ų8146.5 Ų46.567%0.66927%0.269SS*.Hα-helixtrans-60.6-32.2176.400000112.3D229D229-A233 VanDerWaalsContact O-CB 3.23Å; D229-A233 WeakPolarHBondContact O-CB 3.33Å; D229-A233 PolarHBondContact O-N 3.08Å
234N94.6Very high95.4Very high48 Ų4844.3 Ų44.326%0.25725%0.254SS..THydrogen-bonded Turntrans-99.925.8177.4-64.8-77.5000112.7N215 M230 M231 V232 S236 N237 L238N215-N234 HydrophobicContact CB-CB 4.49Å; N215-N234 WeakPolarHBondContact ND2-CB 3.49Å; N215-N234 PolarHBondContact ND2-OD1 3.07Å; M230-N234 PolarHBondContact O-N 2.82Å; M230-N234 PolarHBondContact O-ND2 3.24Å; M231-N234 CarbonylContact O-C 3.41Å; M231-N234 PolarHBondContact O-N 3.11Å; V232-N234 PolarHBondContact O-N 2.79Å; N234-S236 PolarHBondContact O-N 2.82Å; N234-S236 VanDerWaalsContact O-N 3.14Å; N234-N237 CarbonylContact O-C 3.54Å; N234-N237 PolarHBondContact O-N 3.44Å; N234-L238 HydrophobicContact CB-CD1 4.39Å; N234-L238 WeakPolarHBondContact O-CA 3.36Å; N234-L238 PolarHBondContact O-N 2.8Å
235S91Very high95.1Very high35 Ų3544.6 Ų44.625%0.24526%0.264CS..THydrogen-bonded Turntrans-70-10.8-171.161.30000116.1R159 F165 M231 V232R159-S235 VanDerWaalsContact CB-O 3.23Å; R159-S235 WeakPolarHBondContact CB-O 3.16Å; R159-S235 WeakPolarHBondContact CD-O 3.39Å; F165-S235 WeakPolarHBondContact CE2-O 3.44Å; F165-S235 WeakPolarHBondContact CZ-O 3.23Å; M231-S235 PolarHBondContact O-N 2.82Å; V232-S235 WeakPolarHBondContact O-CB 3.38Å; V232-S235 PolarHBondContact O-N 3.26Å; V232-S235 VanDerWaalsContact O-N 3.09Å; V232-S235 PolarHBondContact O-OG 3.43Å
236S91.3Very high94.1Very high88 Ų8844.5 Ų44.562%0.61526%0.264SS*.THydrogen-bonded Turntrans-79-40.4172.755.80000112.4R159 N234R159-S236 PolarHBondContact N-O 2.99Å; R159-S236 VanDerWaalsContact N-O 3.13Å; N234-S236 PolarHBondContact O-N 2.82Å; N234-S236 VanDerWaalsContact O-N 3.14Å
237N94Very high92.7Very high66 Ų6643.9 Ų43.935%0.35326%0.261SS..EExtended strand (participates in β ladder)trans-145.991.5179.7-179.37.2000108.5S156 L157 N215 N234S156-N237 PolarHBondContact OG-OD1 2.92Å; L157-N237 WeakPolarHBondContact O-CA 3.31Å; N215-N237 PolarHBondContact ND2-O 3.3Å; N234-N237 CarbonylContact O-C 3.54Å; N234-N237 PolarHBondContact O-N 3.44Å
238L96.3Very high91Very high2 Ų247.6 Ų47.61%0.0129%0.287CS..EExtended strand (participates in β ladder)trans-90.7120.8-179.2176.669000108.6S156 L157 F165 V214 M231 N234S156-L238 CarbonylContact C-O 3.57Å; S156-L238 WeakPolarHBondContact CA-O 2.9Å; L157-L238 PolarHBondContact N-O 3.21Å; L157-L238 PolarHBondContact O-N 3.34Å; F165-L238 HydrophobicContact CD2-CB 4.3Å; F165-L238 HydrophobicContact CD2-CD2 3.73Å; F165-L238 HydrophobicContact CE1-CB 4.42Å; F165-L238 HydrophobicContact CE2-CB 3.44Å; F165-L238 VanDerWaalsContact CE2-CB 3.44Å; F165-L238 HydrophobicContact CE2-CD2 3.72Å; F165-L238 HydrophobicContact CE2-CG 4.19Å; F165-L238 HydrophobicContact CG-CD2 4.43Å; F165-L238 HydrophobicContact CZ-CB 3.53Å; F165-L238 HydrophobicContact CZ-CD2 4.44Å; V214-L238 HydrophobicContact CG1-CD1 3.73Å; M231-L238 HydrophobicContact CB-CD1 4.26Å; M231-L238 HydrophobicContact CE-CD2 3.72Å; M231-L238 HydrophobicContact CG-CD1 4.21Å; N234-L238 HydrophobicContact CB-CD1 4.39Å; N234-L238 WeakPolarHBondContact O-CA 3.36Å; N234-L238 PolarHBondContact O-N 2.8Å
239I97.2Very high88.9Confident40 Ų4052 Ų5221%0.20531%0.307CS..EExtended strand (participates in β ladder)trans-108115.8172.4-60.4173.4000107L143 R154 V155 V214 N215L143-I239 HydrophobicContact CD1-CD1 4.05Å; L143-I239 HydrophobicContact CD1-CG1 4.25Å; L143-I239 HydrophobicContact CD1-CG2 4.09Å; R154-I239 HydrophobicContact CG-CG2 3.68Å; V155-I239 CarbonylContact O-C 3.58Å; V155-I239 WeakPolarHBondContact O-CA 3.34Å; V214-I239 CarbonylContact C-O 3.56Å; V214-I239 WeakPolarHBondContact CA-O 3.11Å; N215-I239 PolarHBondContact N-O 3.14Å; N215-I239 PolarHBondContact OD1-N 3.14Å; N215-I239 PolarHBondContact OD1-O 3.29Å
240I97.1Very high86.9Confident1 Ų147.6 Ų47.61%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-118.8126.9-179.2-163.2172.3000109.8R154 V155 L205 I211 E213 V214 M231 I242R154-I240 WeakPolarHBondContact CA-O 3.31Å; V155-I240 HydrophobicContact CB-CG2 4.17Å; V155-I240 PolarHBondContact N-O 3.42Å; V155-I240 PolarHBondContact O-N 3.02Å; L205-I240 HydrophobicContact CD1-CG2 4.29Å; L205-I240 HydrophobicContact CD2-CG2 4.14Å; I211-I240 HydrophobicContact CB-CD1 4.5Å; I211-I240 HydrophobicContact CD1-CD1 3.93Å; I211-I240 HydrophobicContact CG1-CD1 3.88Å; I211-I240 HydrophobicContact CG2-CD1 3.91Å; I211-I240 HydrophobicContact CG2-CG1 3.96Å; E213-I240 WeakPolarHBondContact O-CA 3.36Å; V214-I240 HydrophobicContact CG2-CG1 4.5Å; M231-I240 HydrophobicContact CE-CD1 4.4Å; I240-I242 HydrophobicContact CD1-CG2 4.1Å; I240-I242 HydrophobicContact CG1-CG2 3.94Å; I240-I242 HydrophobicContact CG2-CG2 4.34Å
241T97.3Very high84.7Confident2 Ų253.9 Ų53.91%0.01232%0.319CS..EExtended strand (participates in β ladder)trans-97120.6170.3-51.50000107.6L152 R154 I212 E213L152-T241 HydrophobicContact CB-CG2 4.25Å; L152-T241 HydrophobicContact CD1-CG2 3.99Å; R154-T241 PolarHBondContact NE-OG1 3.18Å; I212-T241 WeakPolarHBondContact CB-O 3.48Å; I212-T241 PolarHBondContact N-O 3.31Å; E213-T241 PolarHBondContact N-O 2.92Å; E213-T241 PolarHBondContact O-N 3.09Å; E213-T241 WeakPolarHBondContact OE2-CB 3.47Å; E213-T241 PolarHBondContact OE2-OG1 3.49Å
242I96.6Very high82.8Confident0 Ų059.4 Ų59.40%035%0.347CS..EExtended strand (participates in β ladder)trans-121.8160.3-178.658.9142.8000111.9L152 R153 L205 D209 E210 I211 I240 P244L152-I242 CarbonylContact C-O 3.53Å; L152-I242 WeakPolarHBondContact CA-O 3.1Å; R153-I242 HydrophobicContact CB-CD1 4.41Å; R153-I242 HydrophobicContact CB-CG1 4.09Å; R153-I242 PolarHBondContact N-O 3.1Å; R153-I242 VanDerWaalsContact O-CG1 3.31Å; R153-I242 WeakPolarHBondContact O-CG1 3.3Å; R153-I242 PolarHBondContact O-N 3.38Å; L205-I242 HydrophobicContact CD2-CD1 3.74Å; L205-I242 HydrophobicContact CD2-CG1 4.07Å; L205-I242 HydrophobicContact CD2-CG2 4.13Å; D209-I242 HydrophobicContact CB-CB 4.35Å; D209-I242 HydrophobicContact CB-CD1 3.86Å; D209-I242 WeakPolarHBondContact OD2-CD1 3.43Å; E210-I242 CarbonylContact O-C 3.54Å; E210-I242 WeakPolarHBondContact O-CA 3.31Å; E210-I242 VanDerWaalsContact O-CB 3.31Å; E210-I242 WeakPolarHBondContact O-CB 3.26Å; I211-I242 HydrophobicContact CG1-CG2 4.37Å; I240-I242 HydrophobicContact CD1-CG2 4.1Å; I240-I242 HydrophobicContact CG1-CG2 3.94Å; I240-I242 HydrophobicContact CG2-CG2 4.34Å; I242-P244 HydrophobicContact CD1-CG 3.97Å
243R94.7Very high80.6Confident30 Ų3059.2 Ų59.211%0.11335%0.347CS..EExtended strand (participates in β ladder)trans-102.8113158.3-174-168.3-61.1-98.4-10108.2T151 L152 E210 L268T151-R243 WeakPolarHBondContact O-CG 3.48Å; L152-R243 HydrophobicContact CD2-CB 3.7Å; L152-R243 HydrophobicContact CD2-CG 4.22Å; E210-R243 HydrophobicContact CB-CB 4.06Å; E210-R243 PolarHBondContact N-O 3.02Å; E210-R243 PolarHBondContact O-N 3.31Å; E210-R243 WeakPolarHBondContact OE2-CD 3.07Å; E210-R243 IonicContact OE2-NE 3.06Å; E210-R243 PolarHBondContact OE2-NE 2.91Å; R243-L268 PolarHBondContact NH2-O 3.26Å
244P93.7Very high78.4Confident8 Ų866.9 Ų66.95%0.05236%0.359CS..  trans-59.6138179-26.336.3000112.7T151 R153 D209 I242T151-P244 WeakPolarHBondContact O-CD 3.16Å; R153-P244 HydrophobicContact CB-CG 4.17Å; D209-P244 WeakPolarHBondContact OD1-CA 3.23Å; I242-P244 HydrophobicContact CD1-CG 3.97Å
245A89.3Confident76.3Confident62 Ų6272.9 Ų72.951%0.51239%0.385SS..SBendtrans-69.7-40.6175.800000112.1N208 D209N208-A245 HydrophobicContact CB-CB 3.96Å; D209-A245 PolarHBondContact OD1-N 2.74Å
246D77Confident74.1Confident102 Ų10277.2 Ų77.255%0.54541%0.405SS..  trans-103.1111.2169.4-174.710.4000109.8S248D246-S248 VanDerWaalsContact C-N 3.26Å; D246-S248 PolarHBondContact O-N 2.92Å; D246-S248 WeakPolarHBondContact OD1-CB 3.48Å; D246-S248 PolarHBondContact OD1-N 2.95Å; D246-S248 PolarHBondContact OD1-OG 2.67Å; D246-S248 VanDerWaalsContact OD1-OG 3.09Å; D246-S248 PolarHBondContact OD2-OG 2.98Å
247Q66Low71.6Confident78 Ų7877.5 Ų77.536%0.36441%0.407SS..G310 helixtrans-853.1177.5-64.5-173.7-12.900112.8M249 C250Q247-M249 PolarHBondContact O-N 2.78Å; Q247-M249 VanDerWaalsContact O-N 3.14Å; Q247-C250 PolarHBondContact O-N 2.85Å
248S61.2Low69.3Low77 Ų7786.5 Ų86.554%0.53844%0.435SS..G310 helixtrans-58.2-27.9177.772.60000112.7D246D246-S248 VanDerWaalsContact C-N 3.26Å; D246-S248 PolarHBondContact O-N 2.92Å; D246-S248 WeakPolarHBondContact OD1-CB 3.48Å; D246-S248 PolarHBondContact OD1-N 2.95Å; D246-S248 PolarHBondContact OD1-OG 2.67Å; D246-S248 VanDerWaalsContact OD1-OG 3.09Å; D246-S248 PolarHBondContact OD2-OG 2.98Å
249M53Low66.5Low144 Ų14490.5 Ų90.571%0.70946%0.464SS*.G310 helixtrans-97.92.7178.1-60.5-64.6164.900114.1Q247 L251Q247-M249 PolarHBondContact O-N 2.78Å; Q247-M249 VanDerWaalsContact O-N 3.14Å; M249-L251 PolarHBondContact O-N 3.22Å
250C53.1Low63.8Low17 Ų1799.6 Ų99.612%0.11550%0.495CS..SBendtrans-78.6117.4168.1-74.10000108Q247 I252Q247-C250 PolarHBondContact O-N 2.85Å; C250-I252 PolarHBondContact O-N 2.66Å
251L52.4Low61Low161 Ų161110 Ų11084%0.84354%0.541SS*.  trans-59.4106.7177-62.1175.4000108.4M249 P253M249-L251 PolarHBondContact O-N 3.22Å; L251-P253 WeakPolarHBondContact O-CD 3.47Å
252I55.1Low58.1Low135 Ų135113.9 Ų113.969%0.69257%0.568SS**  trans-62.2123.3170.7-57.5171.7000106.2C250 R254C250-I252 PolarHBondContact O-N 2.66Å; I252-R254 PolarHBondContact O-N 2.82Å; I252-R254 VanDerWaalsContact O-N 3.11Å
253P47.6Very low55.3Low67 Ų67122.8 Ų122.844%0.43561%0.61SS.*  trans-53.8123.8170.7-24.734.4000108.6L251 E255 I256L251-P253 WeakPolarHBondContact O-CD 3.47Å; P253-E255 PolarHBondContact O-N 2.94Å; P253-I256 PolarHBondContact O-N 3.07Å
254R47.2Very low52.6Low241 Ų241127 Ų12791%0.90964%0.644SS**THydrogen-bonded Turntrans-66.19.8-171.8-136.6177159.9112.1-3.2114.2I252I252-R254 PolarHBondContact O-N 2.82Å; I252-R254 VanDerWaalsContact O-N 3.11Å
255E50.9Low49.7Very low174 Ų174131.4 Ų131.481%0.81368%0.675SS**THydrogen-bonded Turntrans-108.50.2-174.3-74.1-69.2147.900114.7P253 S257P253-E255 PolarHBondContact O-N 2.94Å; E255-S257 PolarHBondContact O-N 2.96Å
256I44.8Very low47.5Very low127 Ų127134.3 Ų134.365%0.65168%0.682SS**  trans-103.167.3171.6-57163.4000109.4P253 R258P253-I256 PolarHBondContact O-N 3.07Å; I256-R258 PolarHBondContact O-N 3.06Å; I256-R258 VanDerWaalsContact O-N 3.08Å
257S39.1Very low45.9Very low94 Ų94135.4 Ų135.466%0.65769%0.687SS**  trans-68.1100.4168-75.20000110.3E255 S259E255-S257 PolarHBondContact O-N 2.96Å; S257-S259 VanDerWaalsContact C-N 3.29Å; S257-S259 PolarHBondContact O-N 2.92Å
258R45.1Very low44.9Very low254 Ų254137 Ų13796%0.95870%0.697SS**SBendtrans50.521.8141.2-65.9-176.3179.51540.7119.8I256I256-R258 PolarHBondContact O-N 3.06Å; I256-R258 VanDerWaalsContact O-N 3.08Å
259S39Very low44.3Very low86 Ų86137.2 Ų137.260%0.60169%0.687SS**  trans-143.1124.817166.30000112.1S257S257-S259 VanDerWaalsContact C-N 3.29Å; S257-S259 PolarHBondContact O-N 2.92Å
260R40.7Very low43.8Very low231 Ų231132 Ų13287%0.87267%0.67SS**  trans83.764.8171.7-53.7-174.1-102-175.2-6117.4S262R260-S262 PolarHBondContact O-N 3.44Å; R260-S262 VanDerWaalsContact O-N 3.09Å
261F36.6Very low43.3Very low221 Ų221138 Ų13897%0.96971%0.709SS**  trans-72.685.1143.1-93-88.1000108.3
262S36.6Very low43.4Very low83 Ų83133 Ų13358%0.5868%0.679SS**  trans-148109.9162.9-167.80000107.6R260R260-S262 PolarHBondContact O-N 3.44Å; R260-S262 VanDerWaalsContact O-N 3.09Å
263Q39.3Very low43.5Very low187 Ų187134.5 Ų134.587%0.87468%0.68SS**  trans63.380157.6-56.6175.915.900116.4
264S36.4Very low44.1Very low118 Ų118134.3 Ų134.383%0.82568%0.675SS**  trans-125.3110.1150.9-23.80000108.3D266S264-D266 PolarHBondContact O-N 2.94Å
265S34Very low44.8Very low101 Ų101126.1 Ų126.171%0.70665%0.649SS**  trans-80.784.6-174.549.40000111.7
266D41.7Very low44.9Very low123 Ų123121.5 Ų121.566%0.65864%0.636SS**  trans-104.485.1157.9-74.1-27.6000108.1S264 L268 Y269S264-D266 PolarHBondContact O-N 2.94Å; D266-L268 PolarHBondContact O-N 3.4Å; D266-Y269 HydrophobicContact CB-CD2 4.43Å; D266-Y269 PolarHBondContact O-N 3.22Å
267L43.3Very low45.2Very low124 Ų124120 Ų12065%0.64963%0.628SS**THydrogen-bonded Turntrans-632.2-172.9-73.6164.3000114.9
268L45.6Very low45.1Very low111 Ų111121.9 Ų121.958%0.58164%0.636SS**THydrogen-bonded Turntrans-106-5173.2-71.5166.1000113.5R243 D266R243-L268 PolarHBondContact NH2-O 3.26Å; D266-L268 PolarHBondContact O-N 3.4Å
269Y48.2Very low44.8Very low83 Ų83118.1 Ų118.133%0.32563%0.629SS.*SBendtrans-123.217-171.4-77-86.7000115.1P149 T151 L152 D266P149-Y269 HydrophobicContact CB-CE1 4.2Å; P149-Y269 HydrophobicContact CG-CE1 4.36Å; T151-Y269 WeakPolarHBondContact OG1-CD1 3.35Å; T151-Y269 VanDerWaalsContact OG1-CE1 3.26Å; T151-Y269 WeakPolarHBondContact OG1-CE1 3.39Å; L152-Y269 HydrophobicContact CD1-CE1 4.14Å; L152-Y269 VanDerWaalsContact CD1-OH 3.31Å; L152-Y269 WeakPolarHBondContact CD1-OH 3.42Å; L152-Y269 HydrophobicContact CD2-CE1 4.02Å; L152-Y269 HydrophobicContact CG-CE1 3.91Å; D266-Y269 HydrophobicContact CB-CD2 4.43Å; D266-Y269 PolarHBondContact O-N 3.22Å
270G43.1Very low44.6Very low34 Ų34125.5 Ų125.535%0.35164%0.644SS.*SBendtrans-74.1166.1175.500000114.7R272G270-R272 WeakPolarHBondContact O-CG 3.48Å; G270-R272 PolarHBondContact O-N 3.09Å
271P43.7Very low44.2Very low143 Ų143119.8 Ų119.893%0.92964%0.639SS**  trans-61.1120176.124.4-31.3000110.2
272R54Low43.9Very low57 Ų57114.4 Ų114.422%0.21563%0.629CS.*  trans-117.6135.1-170.5-87.8160.5162.7-132.32.1109.9I174 Q175 G270I174-R272 HydrophobicContact CG2-CB 3.65Å; I174-R272 HydrophobicContact CG2-CG 3.4Å; I174-R272 VanDerWaalsContact CG2-NH1 3.34Å; Q175-R272 WeakPolarHBondContact O-CG 3.37Å; G270-R272 WeakPolarHBondContact O-CG 3.48Å; G270-R272 PolarHBondContact O-N 3.09Å
273K57Low43.6Very low166 Ų166116.1 Ų116.172%0.72264%0.638SS**EExtended strand (participates in β ladder)trans-89.3127.5174.1-68.9-176.2-178.7178.40109.5
274N59.7Low43.3Very low63 Ų63114.6 Ų114.634%0.33764%0.635SS.*EExtended strand (participates in β ladder)trans-81.7129.8175.4-170.3-23000110R170 F189R170-N274 PolarHBondContact NH1-OD1 3.17Å; R170-N274 PolarHBondContact NH2-ND2 3.45Å; F189-N274 WeakPolarHBondContact CD1-ND2 3.29Å; F189-N274 WeakPolarHBondContact CE1-ND2 3.15Å; F189-N274 HydrophobicContact CZ-CB 4.39Å; F189-N274 WeakPolarHBondContact CZ-ND2 3.37Å
275I62.7Low43.1Very low68 Ų68116.3 Ų116.335%0.34963%0.634SS.*EExtended strand (participates in β ladder)trans-119.9123173.6-58.6174.5000108.5A173 Q175A173-I275 PolarHBondContact N-O 2.96Å; A173-I275 PolarHBondContact O-N 3.14Å; A173-I275 VanDerWaalsContact O-N 3.11Å; Q175-I275 VanDerWaalsContact CD-CD1 3.49Å; Q175-I275 HydrophobicContact CG-CD1 3.89Å
276S51.4Low43.1Very low78 Ų78117 Ų11755%0.54563%0.629SS.*EExtended strand (participates in β ladder)trans-74.9122.6171.753.80000110.1
277I52.7Low42.6Very low95 Ų95115.7 Ų115.749%0.48763%0.63SS.*  trans-89.4113164.6-57172.1000106.2A173 E279A173-I277 HydrophobicContact CB-CD1 4.14Å; I277-E279 HydrophobicContact CG2-CG 4.49Å; I277-E279 PolarHBondContact O-N 3.19Å
278T36.5Very low42.2Very low134 Ų134115.1 Ų115.182%0.82264%0.637SS**  trans-77.399.2179.7-57.10000109.7
279E38.3Very low41.5Very low175 Ų175116.3 Ų116.382%0.81865%0.648SS**  trans-119.3140.8160.6-68.8-157.6160.600110.6I277 S281I277-E279 HydrophobicContact CG2-CG 4.49Å; I277-E279 PolarHBondContact O-N 3.19Å; E279-S281 PolarHBondContact O-N 3.34Å
280R35.7Very low41Very low241 Ų241118.9 Ų118.991%0.90967%0.672SS**  trans-67.2116.5-172.9-82.9176.8169.5-152.3-1.7112.2
281S31.2Very low40.5Very low110 Ų110123.2 Ų123.277%0.76969%0.693SS**  trans31.5115.9136.4-42.80000120.5E279E279-S281 PolarHBondContact O-N 3.34Å
282S30.2Very low39.8Very low109 Ų109122.6 Ų122.676%0.76269%0.686SS**  trans-138.4114.7144.9-59.20000109.2L284S282-L284 PolarHBondContact O-N 3.14Å
283P30.6Very low38.8Very low118 Ų118126.3 Ų126.377%0.76672%0.715SS**  trans-85.4106.8172.631.9-25.8000108.7L285P283-L285 PolarHBondContact O-N 3.07Å
284L34Very low37.5Very low156 Ų156124.6 Ų124.682%0.81772%0.719SS**  trans-87.694168.3-71.4175.5000109S282 L286S282-L284 PolarHBondContact O-N 3.14Å; L284-L286 PolarHBondContact O-N 3.37Å
285L32Very low36.3Very low153 Ų153128.1 Ų128.180%0.80174%0.743SS**  trans-64.2109.4159.2-71.8164.4000107.6P283 S287P283-L285 PolarHBondContact O-N 3.07Å; L285-S287 PolarHBondContact O-N 2.82Å
286L34.1Very low34.7Very low115 Ų115131 Ų13160%0.60276%0.764SS**  trans-80.173.9166.9-154.478.2000108.7L284L284-L286 PolarHBondContact O-N 3.37Å
287S30.9Very low33.9Very low97 Ų97133.6 Ų133.668%0.67878%0.777SS**  trans-98.9109.7170.865.20000110.1L285L285-S287 PolarHBondContact O-N 2.82Å
288S35.1Very low32.9Very low112 Ų112136.2 Ų136.278%0.78379%0.792SS**  trans-116.294.7160.835.80000109.2
289T30Very low32.8Very low135 Ų135140.6 Ų140.683%0.82880%0.795SS**  trans-66.3118.8159.612.60000109.3
290V37.4Very low32.6Very low137 Ų137137.7 Ų137.783%0.8379%0.789SS**  trans-140.8119.2149.2-175.40000110.2
291T33.2Very low32.4Very low126 Ų126135 Ų13577%0.77379%0.787SS**  trans-33.1139.1168.9-430000117
292T28.9Very low32.4Very low130 Ų130135.4 Ų135.480%0.79879%0.79SS**  trans-63.6125.4170.2-20.90000112.4
293T33.1Very low32.4Very low134 Ų134138.4 Ų138.482%0.82279%0.792SS**  trans-149.1124.114644.50000110.1
294T29.8Very low32.7Very low131 Ų131138.6 Ų138.680%0.80479%0.793SS**  trans-56.4128.8174.236.10000113.9
295T33.9Very low32.5Very low137 Ų137138.8 Ų138.884%0.8479%0.79SS**  trans-159.9131.7135.5-17.90000111.5
296T30.1Very low32.4Very low127 Ų127142.4 Ų142.478%0.77979%0.794SS**  trans-55.1135.7171.936.70000114.1
297T34Very low32.4Very low134 Ų134143.5 Ų143.582%0.82280%0.799SS**  trans-166.6136.1137.820.80000111.7
298N31.5Very low32.4Very low150 Ų150144.6 Ų144.680%0.80280%0.804SS**  trans-63137178.8-64.7-37.4000113.1
299Y34.1Very low32.6Very low226 Ų226145 Ų14589%0.88681%0.807SS**  trans-145.8138.1147.3-82.8-74.4000111.3
300T34.4Very low32.5Very low113 Ų113146.8 Ų146.869%0.69381%0.806SS**  trans-90.3149.4-166.942.40000113.8
301Q31.2Very low32.3Very low184 Ų184147.5 Ų147.586%0.8680%0.804SS**  trans53.5119.8142.4-70.1176.73.300120.1
302S32.3Very low32.2Very low119 Ų119148.3 Ų148.383%0.83280%0.803SS**  175.6119.7103.955.90000111.8
303Q29.6Very low32.1Very low172 Ų172146.9 Ų146.980%0.80480%0.799SS**PPolyproline II helixtrans-86.6147.7161.4-80.2-166.4-600109.9
304P37.3Very low32.2Very low123 Ų123145.9 Ų145.980%0.79980%0.797SS**PPolyproline II helixtrans-90.9125.7157.97.911.2000111
305Q29Very low32.2Very low159 Ų159145 Ų14574%0.74380%0.796SS**PPolyproline II helixtrans-72.4139.1164.9-73.4-85.2-48.600110.1
306Y31.5Very low32.3Very low230 Ų230143.8 Ų143.890%0.90279%0.793SS**  trans-117.1125.4165.7-127.6-90.7000109.6
307I34.2Very low32.6Very low137 Ų137146.5 Ų146.570%0.70380%0.797SS**PPolyproline II helixtrans-98.2134.1-175.6-61.1164.7000108.2
308P30.7Very low32.3Very low121 Ų121145.4 Ų145.479%0.78679%0.792SS**PPolyproline II helixtrans-90.1124.9169.92.116.9000111
309S38.3Very low32.3Very low121 Ų121146.9 Ų146.985%0.84680%0.799SS**PPolyproline II helixtrans-84.3117.2169.7-500000110.2
310Q29.4Very low32Very low172 Ų172141.8 Ų141.880%0.80479%0.791SS**PPolyproline II helixtrans-76.1150.9157.2-62.8-168.4-23.100109.4
311L32Very low31.8Very low152 Ų152146.5 Ų146.580%0.79680%0.802SS**  176.4141.8125.1-112.287.7000113.1
312L30.7Very low31.6Very low142 Ų142143.2 Ų143.274%0.74380%0.795SS**  trans90.385.8143.1-68.1153.9000121.9
313S28.4Very low31.5Very low101 Ų101145.6 Ų145.671%0.70680%0.798SS**  29.8131.4116.566.60000123.6
314S34.1Very low31.5Very low112 Ų112146.4 Ų146.478%0.78380%0.799SS**  177.8106.9123.241.90000109.1
315S29.8Very low31.3Very low113 Ų113150.6 Ų150.679%0.7981%0.805SS**  76.1124.385.881.90000117.1
316S36.9Very low31.3Very low111 Ų111150.3 Ų150.378%0.77681%0.809SS**  trans123.6136.8155.966.50000112.5
317H34.6Very low31.5Very low185 Ų185143.1 Ų143.186%0.85680%0.804SS**  cis-163.3152.6-16.4-106.8-59.1000105.9
318P29Very low31.2Very low111 Ų111144.3 Ų144.372%0.72181%0.812SS**  trans-101153.9-174.237.1-29.8000113.3
319L31.8Very low31.3Very low181 Ų181143.9 Ų143.995%0.94881%0.812SS**  trans-128.4116.4166.9-90163.6000111.7
320T26.3Very low30.8Very low118 Ų118145 Ų14572%0.72481%0.814SS**  trans-72.8139.8175.8-28.50000111.3
321K31.7Very low30.8Very low212 Ų212142 Ų14292%0.92281%0.807SS**  trans-142.5117.8147.7-99-176.2-175.8176.60110.8
322T26.8Very low30.6Very low115 Ų115142.9 Ų142.971%0.70681%0.811SS**  trans-73.8148.6171.650.40000111.2
323N30.4Very low30.6Very low169 Ų169143 Ų14390%0.90481%0.808SS**  trans-152.4123.4137.2-110.7-9.2000111
324K28.5Very low30.7Very low190 Ų190146.1 Ų146.183%0.82682%0.815SS**  trans-84.3142.7168.6-75.6176171.2178.20108.6
325F33.6Very low30.7Very low210 Ų210145.2 Ų145.292%0.92180%0.801SS**  trans-148.5123.6144.8-134.1-93.3000109.5
326N29.2Very low30.9Very low154 Ų154149 Ų14982%0.82481%0.807SS**  trans-85.4152.3173.8-81-0000109.9
327G34.9Very low30.9Very low78 Ų78150.1 Ų150.180%0.80480%0.8SS**  trans-17699.1164.800000111.3
328D28.1Very low31.1Very low163 Ų163149.9 Ų149.987%0.87280%0.803SS**  trans-57.2138.1172.2-77.9-42.8000112.4
329S32.7Very low31.7Very low112 Ų112152 Ų15278%0.78380%0.803SS**  trans-174.7125.5133.1-820000111.6
330T26.9Very low32.3Very low143 Ų143148 Ų14888%0.87779%0.79SS**  trans-33.1123.8167.528.90000115.4
331T30.5Very low33.3Very low110 Ų110150.3 Ų150.368%0.67580%0.798SS**  trans-150.3127.5157.5-65.20000109.5Q333T331-Q333 HydrophobicContact CG2-CG 3.91Å; T331-Q333 PolarHBondContact O-N 2.88Å
332I28.3Very low34.1Very low171 Ų171146.8 Ų146.888%0.87779%0.789SS**  trans-65.1109.5173-63.5165.7000107.2
333Q30.1Very low35Very low145 Ų145148.1 Ų148.168%0.67879%0.792SS**  trans-122.9125.8175.7-65.1-137.4-17.100111.3T331 N335T331-Q333 HydrophobicContact CG2-CG 3.91Å; T331-Q333 PolarHBondContact O-N 2.88Å; Q333-N335 VanDerWaalsContact CB-OD1 3.26Å; Q333-N335 WeakPolarHBondContact CB-OD1 3.5Å; Q333-N335 PolarHBondContact O-N 2.99Å
334I30.8Very low35.6Very low166 Ų166144.9 Ų144.985%0.85177%0.773SS**  trans-82.791.2170.5-53.7168000104.2E336I334-E336 PolarHBondContact O-N 2.88Å
335N32.9Very low36.2Very low93 Ų93144 Ų14450%0.49778%0.777SS.*  trans-82.6109.2178.9-75.318.7000109.4Q333 E337Q333-N335 VanDerWaalsContact CB-OD1 3.26Å; Q333-N335 WeakPolarHBondContact CB-OD1 3.5Å; Q333-N335 PolarHBondContact O-N 2.99Å; N335-E337 VanDerWaalsContact C-N 3.25Å; N335-E337 HydrophobicContact CB-CG 4.27Å; N335-E337 PolarHBondContact ND2-OE1 2.95Å; N335-E337 PolarHBondContact O-N 2.94Å; N335-E337 VanDerWaalsContact O-N 3.15Å
336E34.8Very low36.5Very low193 Ų193138.2 Ų138.290%0.90276%0.759SS**  trans-72.984.8154.1-76.9-176.6159.300107.9I334I334-E336 PolarHBondContact O-N 2.88Å
337E36.3Very low36.7Very low134 Ų134133.6 Ų133.663%0.62675%0.748SS**  trans-95.1110.9168.1-85.8167.6-158.700109.1N335 E339N335-E337 VanDerWaalsContact C-N 3.25Å; N335-E337 HydrophobicContact CB-CG 4.27Å; N335-E337 PolarHBondContact ND2-OE1 2.95Å; N335-E337 PolarHBondContact O-N 2.94Å; N335-E337 VanDerWaalsContact O-N 3.15Å; E337-E339 VanDerWaalsContact C-N 3.3Å; E337-E339 PolarHBondContact O-N 3.22Å; E337-E339 VanDerWaalsContact O-N 3.1Å
338I39Very low36.4Very low180 Ų180137.8 Ų137.892%0.92375%0.751SS**  trans-74.788.8166.1-59.3170.9000105.9
339E42.3Very low36.6Very low156 Ų156137.6 Ų137.673%0.72975%0.748SS**  trans-105.1137.3175.8-131.5-178.3-170.600110.2E337E337-E339 VanDerWaalsContact C-N 3.3Å; E337-E339 PolarHBondContact O-N 3.22Å; E337-E339 VanDerWaalsContact O-N 3.1Å
340S44.6Very low36.9Very low97 Ų97137.7 Ų137.768%0.67874%0.744SS**  trans-53.5141.3-168.840.20000116.3D342S340-D342 VanDerWaalsContact C-N 3.31Å; S340-D342 PolarHBondContact O-N 2.58Å
341D46.1Very low37.3Very low166 Ų166142 Ų14289%0.88876%0.759SS**SBendtrans-73.242.8-172.3-79.2-41.4000116.3
342D50.4Low37.6Very low138 Ų138143.6 Ų143.674%0.73876%0.764SS**  trans-98.8-4.2-170.1-76.5-31.7000117.2S340S340-D342 VanDerWaalsContact C-N 3.31Å; S340-D342 PolarHBondContact O-N 2.58Å
343D43.8Very low38.1Very low142 Ų142142.2 Ų142.276%0.75976%0.758SS**SBendtrans-136.783.8-178.8-79.1-40.6000112.4
344M44.8Very low38.6Very low101 Ų101142 Ų14250%0.49876%0.762SS.*  trans-174.953.3148.2-89-89.6-81.600111.2R81 V346R81-M344 PolarHBondContact NH1-SD 2.72Å; M344-V346 HydrophobicContact CE-CG2 4.43Å; M344-V346 PolarHBondContact O-N 3.23Å; M344-V346 VanDerWaalsContact O-N 3.12Å; M344-V346 HydrophobicContact SD-CG2 3.84Å
345N39.4Very low39Very low173 Ų173140.6 Ų140.693%0.92576%0.757SS**  trans-79.478.3156-99.1-15.9000108.4G347N345-G347 VanDerWaalsContact C-N 3.3Å; N345-G347 PolarHBondContact O-N 2.82Å; N345-G347 VanDerWaalsContact O-N 3.08Å
346V41.2Very low39.4Very low87 Ų87143.6 Ų143.653%0.52777%0.773SS.*  trans-74.697.8160.9-170.20000105.4M344 L348M344-V346 HydrophobicContact CE-CG2 4.43Å; M344-V346 PolarHBondContact O-N 3.23Å; M344-V346 VanDerWaalsContact O-N 3.12Å; M344-V346 HydrophobicContact SD-CG2 3.84Å; V346-L348 PolarHBondContact O-N 3.19Å
347G32.5Very low39.7Very low58 Ų58140.3 Ų140.360%0.59876%0.764SS**  trans-50.6120.3-179.400000110.8N345 I349N345-G347 VanDerWaalsContact C-N 3.3Å; N345-G347 PolarHBondContact O-N 2.82Å; N345-G347 VanDerWaalsContact O-N 3.08Å; G347-I349 PolarHBondContact O-N 3.05Å
348L29.8Very low39.9Very low165 Ų165140.7 Ų140.786%0.86477%0.774SS**  trans-69.188.5161.6-159.587.4000106.8V346 T350V346-L348 PolarHBondContact O-N 3.19Å; L348-T350 PolarHBondContact O-N 3.06Å
349I32.2Very low40Very low160 Ų160137.7 Ų137.782%0.82176%0.763SS**  trans-80.4105.8162.7-63.8171.6000105.6G347G347-I349 PolarHBondContact O-N 3.05Å
350T37.6Very low39.8Very low113 Ų113136.2 Ų136.269%0.69377%0.766SS**  trans-123.5126.5159.5-51.30000105.9L348L348-T350 PolarHBondContact O-N 3.06Å
351I35.5Very low39.4Very low234 Ų234139.7 Ų139.7100%1.277%0.774SS**  trans-45.90-175-54.2168.7000111.9

Retrieved 351 of 351 residues in 77.2 ms (Link to these results)

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