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Polyribonucleotide nucleotidyltransferase

Involved in mRNA degradation. Catalyzes the phosphorolysis of single-stranded polyribonucleotides processively in the 3'- to 5'-direction.

AlphaFold DB (Q2FZ20), UniProt , Accession Q99UJ8, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene pnp, Length 698 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
1M52.2Low85.8Confident136 Ų13697.1 Ų97.167%0.6748%0.476SS*.  0141.20-62.2-170.2-172.400110Q3 N29 V140M1-Q3 PolarHBondContact O-N 3Å; M1-N29 WeakPolarHBondContact CE-O 3.17Å; M1-V140 HydrophobicContact CE-CG2 4.26Å; M1-V140 WeakPolarHBondContact CE-O 3.36Å
2S53.7Low86.7Confident71 Ų7189 Ų8950%0.49744%0.436SS..  trans-60139.6166.784.50000108.1E4S2-E4 PolarHBondContact O-N 3.5Å; S2-E4 VanDerWaalsContact O-N 3.09Å
3Q69.5Low87.3Confident153 Ų15384.7 Ų84.772%0.71542%0.424SS*.SBendtrans-76.410.2-176.6-60-166.114.100113M1M1-Q3 PolarHBondContact O-N 3Å
4E87.5Confident87.7Confident142 Ų14283.6 Ų83.666%0.66445%0.445SS*.SBendtrans-86.6131.3-177.2-169.1174.2-169.600109.7S2 K6S2-E4 PolarHBondContact O-N 3.5Å; S2-E4 VanDerWaalsContact O-N 3.09Å; E4-K6 PolarHBondContact O-N 3.37Å
5K94.7Very high88.3Confident88 Ų8881.7 Ų81.738%0.38343%0.429SS..  trans-65120.3176.8179.4-178-178.8141.90109.2V7 E20 Q23K5-V7 HydrophobicContact CD-CG2 4.27Å; K5-V7 HydrophobicContact CG-CG2 4.05Å; K5-E20 WeakPolarHBondContact CE-OE2 3.46Å; K5-E20 IonicContact NZ-OE2 2.63Å; K5-E20 PolarHBondContact NZ-OE2 3.23Å; K5-Q23 HydrophobicContact CB-CB 4.22Å; K5-Q23 HydrophobicContact CG-CB 4.27Å; K5-Q23 VanDerWaalsContact NZ-OE1 3.08Å
6K96.8Very high88.9Confident54 Ų5480.9 Ų80.924%0.23543%0.432CS..EExtended strand (participates in β ladder)trans-105141.5170.4-59.4-174.2179.5-1690109.6E4 F8 E20 T21 I226E4-K6 PolarHBondContact O-N 3.37Å; K6-F8 HydrophobicContact CB-CE2 3.69Å; K6-F8 HydrophobicContact CB-CZ 3.98Å; K6-F8 HydrophobicContact CD-CZ 4.29Å; K6-E20 VanDerWaalsContact O-CA 3.27Å; K6-E20 WeakPolarHBondContact O-CA 3.49Å; K6-T21 HydrophobicContact CB-CG2 4.12Å; K6-T21 PolarHBondContact N-O 3.08Å; K6-T21 PolarHBondContact O-N 3.25Å; K6-I226 HydrophobicContact CD-CG1 4.35Å
7V98Very high89.5Confident68 Ų6876.2 Ų76.241%0.41241%0.407SS..EExtended strand (participates in β ladder)trans-134.5124.6-175.8-1770000109K5 K9 T18 E20K5-V7 HydrophobicContact CD-CG2 4.27Å; K5-V7 HydrophobicContact CG-CG2 4.05Å; V7-K9 HydrophobicContact CG1-CG 4.34Å; V7-T18 HydrophobicContact CG1-CG2 3.59Å; V7-E20 HydrophobicContact CG1-CG 4.35Å; V7-E20 HydrophobicContact CG2-CG 4.23Å
8F98.4Very high90Very high35 Ų3572.8 Ų72.815%0.15439%0.39CS..EExtended strand (participates in β ladder)trans-122.3141.1179-53.4-86.9000109K6 T18 I19 T21 F218 I222 H225 I226K6-F8 HydrophobicContact CB-CE2 3.69Å; K6-F8 HydrophobicContact CB-CZ 3.98Å; K6-F8 HydrophobicContact CD-CZ 4.29Å; F8-T18 CarbonylContact O-C 3.46Å; F8-T18 VanDerWaalsContact O-CA 3.3Å; F8-T18 WeakPolarHBondContact O-CA 3.32Å; F8-I19 PolarHBondContact N-O 3.12Å; F8-I19 PolarHBondContact O-N 2.88Å; F8-T21 HydrophobicContact CE2-CG2 4.4Å; F8-F218 HydrophobicContact CB-CE2 4.26Å; F8-F218 HydrophobicContact CB-CZ 3.86Å; F8-I222 HydrophobicContact CB-CD1 3.69Å; F8-I222 HydrophobicContact CB-CG1 3.83Å; F8-I222 HydrophobicContact CD1-CG1 3.85Å; F8-I222 HydrophobicContact CD1-CG2 4.46Å; F8-I222 HydrophobicContact CD2-CB 4.46Å; F8-I222 HydrophobicContact CD2-CD1 4.1Å; F8-I222 HydrophobicContact CD2-CG1 3.99Å; F8-I222 HydrophobicContact CD2-CG2 3.71Å; F8-I222 HydrophobicContact CE1-CG1 4.41Å; F8-I222 HydrophobicContact CE1-CG2 4.33Å; F8-I222 HydrophobicContact CE2-CG2 3.57Å; F8-I222 HydrophobicContact CG-CB 4.45Å; F8-I222 HydrophobicContact CG-CD1 3.89Å; F8-I222 HydrophobicContact CG-CG1 3.61Å; F8-I222 HydrophobicContact CG-CG2 4.17Å; F8-I222 HydrophobicContact CZ-CG2 3.9Å; F8-H225 HydrophobicContact CE1-CB 4.29Å; F8-H225 AromaticContact CE1-CD2 3.77Å; F8-H225 AromaticContact CE1-CG 3.95Å; F8-H225 AromaticContact CZ-CD2 3.54Å; F8-I226 HydrophobicContact CE2-CD1 4.41Å; F8-I226 HydrophobicContact CZ-CG1 4.49Å
9K98.3Very high90.4Very high154 Ų15469.1 Ų69.167%0.6737%0.37SS*.EExtended strand (participates in β ladder)trans-134.6143.4-173.3-61-171.7178-174.10111.5V7 L17 T18 F218V7-K9 HydrophobicContact CG1-CG 4.34Å; K9-L17 WeakPolarHBondContact CA-O 3.39Å; K9-T18 HydrophobicContact CG-CG2 4.07Å; K9-F218 WeakPolarHBondContact O-CE2 3.33Å
10T97.9Very high90.8Very high39 Ų3966.4 Ų66.424%0.23936%0.355CS..EExtended strand (participates in β ladder)trans-152.5-172.4169.5-1680000108.8L17 R214 F218T10-L17 HydrophobicContact CG2-CB 3.91Å; T10-L17 HydrophobicContact CG2-CD2 3.78Å; T10-L17 HydrophobicContact CG2-CG 4.09Å; T10-L17 PolarHBondContact N-O 3.2Å; T10-L17 PolarHBondContact O-N 2.65Å; T10-L17 VanDerWaalsContact O-O 3.09Å; T10-R214 PolarHBondContact OG1-NH1 2.96Å; T10-F218 HydrophobicContact CG2-CD1 3.56Å; T10-F218 HydrophobicContact CG2-CD2 4.13Å; T10-F218 HydrophobicContact CG2-CE1 3.52Å; T10-F218 HydrophobicContact CG2-CE2 4.11Å; T10-F218 HydrophobicContact CG2-CG 3.86Å; T10-F218 HydrophobicContact CG2-CZ 3.8Å
11E96.9Very high91.1Very high128 Ų12863.7 Ų63.760%0.59834%0.341SS*.EExtended strand (participates in β ladder)trans-110.2155.7168.2-65-174.8156.800110.1R15 R214E11-R15 CarbonylContact C-O 3.59Å; E11-R15 WeakPolarHBondContact CA-O 3.39Å; E11-R214 VanDerWaalsContact O-CZ 3.24Å; E11-R214 PolarHBondContact O-NH1 3.39Å; E11-R214 PolarHBondContact O-NH2 3.39Å
12W96.5Very high93.2Very high0 Ų057.8 Ų57.80%032%0.315CS..EExtended strand (participates in β ladder)trans-145.8113.8176.6-177.516.2000109.1G14 R15 L17 Y36 M128 I132 G151 V152 N164 L215W12-G14 VanDerWaalsContact C-N 3.28Å; W12-G14 PolarHBondContact O-N 3.38Å; W12-R15 PolarHBondContact N-O 2.62Å; W12-R15 PolarHBondContact O-N 3.21Å; W12-R15 VanDerWaalsContact O-N 3.07Å; W12-L17 HydrophobicContact CB-CB 4.08Å; W12-L17 HydrophobicContact CB-CD2 4.23Å; W12-L17 HydrophobicContact CD2-CD2 4.47Å; W12-L17 HydrophobicContact CE3-CD1 4.08Å; W12-L17 HydrophobicContact CE3-CD2 4.02Å; W12-L17 HydrophobicContact CE3-CG 4.49Å; W12-L17 HydrophobicContact CZ3-CD1 4.45Å; W12-Y36 HydrophobicContact CB-CD2 4.28Å; W12-Y36 HydrophobicContact CB-CE2 3.77Å; W12-Y36 HydrophobicContact CD2-CD2 4.27Å; W12-Y36 HydrophobicContact CD2-CE1 4.42Å; W12-Y36 AromaticContact CD2-CE2 3.95Å; W12-Y36 HydrophobicContact CD2-CE2 3.95Å; W12-Y36 AromaticContact CE3-CD1 3.94Å; W12-Y36 HydrophobicContact CE3-CD1 3.94Å; W12-Y36 AromaticContact CE3-CD2 3.62Å; W12-Y36 HydrophobicContact CE3-CD2 3.62Å; W12-Y36 HydrophobicContact CE3-CE1 4.08Å; W12-Y36 AromaticContact CE3-CE2 3.76Å; W12-Y36 HydrophobicContact CE3-CE2 3.76Å; W12-Y36 AromaticContact CE3-CG 3.73Å; W12-Y36 HydrophobicContact CE3-CG 3.73Å; W12-Y36 AromaticContact CG-CE2 3.97Å; W12-Y36 HydrophobicContact CG-CE2 3.97Å; W12-Y36 HydrophobicContact CZ3-CD1 4.01Å; W12-Y36 HydrophobicContact CZ3-CD2 4.4Å; W12-Y36 HydrophobicContact CZ3-CE1 4.36Å; W12-Y36 HydrophobicContact CZ3-CG 4.05Å; W12-Y36 VanDerWaalsContact O-CE2 3.27Å; W12-Y36 WeakPolarHBondContact O-CE2 3.37Å; W12-Y36 PolarHBondContact O-OH 3.47Å; W12-M128 HydrophobicContact CH2-CB 3.45Å; W12-M128 VanDerWaalsContact CH2-CB 3.45Å; W12-M128 HydrophobicContact CZ2-CB 3.84Å; W12-M128 HydrophobicContact CZ3-CB 4.39Å; W12-I132 HydrophobicContact CD2-CD1 4.3Å; W12-I132 HydrophobicContact CE3-CD1 3.89Å; W12-I132 HydrophobicContact CH2-CD1 3.35Å; W12-I132 HydrophobicContact CH2-CG1 3.95Å; W12-I132 HydrophobicContact CZ2-CD1 3.9Å; W12-I132 HydrophobicContact CZ3-CD1 3.4Å; W12-I132 HydrophobicContact CZ3-CG1 4.26Å; W12-G151 WeakPolarHBondContact CZ2-O 3.44Å; W12-V152 HydrophobicContact CZ2-CG1 4.3Å; W12-N164 WeakPolarHBondContact CZ2-ND2 3.16Å; W12-N164 PolarHBondContact NE1-ND2 3.2Å; W12-N164 VanDerWaalsContact NE1-ND2 3.1Å; W12-L215 HydrophobicContact CB-CD2 4.32Å; W12-L215 HydrophobicContact CD2-CD1 4.35Å; W12-L215 HydrophobicContact CD2-CD2 4.37Å; W12-L215 HydrophobicContact CG-CD1 4.38Å; W12-L215 HydrophobicContact CG-CD2 4.05Å; W12-L215 HydrophobicContact CZ2-CD1 4.21Å
13A94.2Very high95.1Very high33 Ų3359 Ų5927%0.27331%0.312SS..THydrogen-bonded Turntrans49.146.3-171.700000113.6R15 I163 N164A13-R15 PolarHBondContact O-N 3.4Å; A13-I163 HydrophobicContact CB-CB 4.12Å; A13-I163 HydrophobicContact CB-CG2 3.85Å; A13-I163 VanDerWaalsContact CB-O 3.32Å; A13-I163 WeakPolarHBondContact CB-O 3.4Å; A13-N164 HydrophobicContact CB-CB 3.89Å
14G93.8Very high96.4Very high70 Ų7055.2 Ų55.272%0.72230%0.297SS*.THydrogen-bonded Turntrans72.83.1179.100000115.7W12W12-G14 VanDerWaalsContact C-N 3.28Å; W12-G14 PolarHBondContact O-N 3.38Å
15R96.6Very high96.8Very high54 Ų5450.5 Ų50.520%0.20428%0.282CS..EExtended strand (participates in β ladder)trans-113.4154.3177.4-53.4179.3-169.8104.93.8110.3E11 W12 A13 Y36 D123 C124 N164E11-R15 CarbonylContact C-O 3.59Å; E11-R15 WeakPolarHBondContact CA-O 3.39Å; W12-R15 PolarHBondContact N-O 2.62Å; W12-R15 PolarHBondContact O-N 3.21Å; W12-R15 VanDerWaalsContact O-N 3.07Å; A13-R15 PolarHBondContact O-N 3.4Å; R15-Y36 HydrophobicContact CB-CD2 4.45Å; R15-Y36 HydrophobicContact CB-CE2 3.75Å; R15-Y36 PolarHBondContact NH1-OH 2.94Å; R15-D123 VanDerWaalsContact CZ-O 3.26Å; R15-D123 PolarHBondContact NH1-O 2.99Å; R15-D123 VanDerWaalsContact NH1-O 3.13Å; R15-C124 WeakPolarHBondContact CD-SG 3.44Å; R15-N164 PolarHBondContact NH1-O 2.99Å; R15-N164 PolarHBondContact NH2-O 3.17Å
16S97.8Very high96.8Very high69 Ų6951.9 Ų51.948%0.48329%0.288SS..EExtended strand (participates in β ladder)trans-71.6135.4-176.671.30000112.1Y36 G37S16-Y36 WeakPolarHBondContact O-CA 3.48Å; S16-G37 PolarHBondContact O-N 3.44Å
17L98.6Very high96.7Very high1 Ų158.4 Ų58.41%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-118.7122.1171.9175.461.4000108.9K9 T10 W12 V34 R35 I132 L215 F218K9-L17 WeakPolarHBondContact CA-O 3.39Å; T10-L17 HydrophobicContact CG2-CB 3.91Å; T10-L17 HydrophobicContact CG2-CD2 3.78Å; T10-L17 HydrophobicContact CG2-CG 4.09Å; T10-L17 PolarHBondContact N-O 3.2Å; T10-L17 PolarHBondContact O-N 2.65Å; T10-L17 VanDerWaalsContact O-O 3.09Å; W12-L17 HydrophobicContact CB-CB 4.08Å; W12-L17 HydrophobicContact CB-CD2 4.23Å; W12-L17 HydrophobicContact CD2-CD2 4.47Å; W12-L17 HydrophobicContact CE3-CD1 4.08Å; W12-L17 HydrophobicContact CE3-CD2 4.02Å; W12-L17 HydrophobicContact CE3-CG 4.49Å; W12-L17 HydrophobicContact CZ3-CD1 4.45Å; L17-V34 HydrophobicContact CD1-CG1 3.73Å; L17-R35 CarbonylContact C-O 3.54Å; L17-R35 WeakPolarHBondContact CA-O 3.35Å; L17-I132 HydrophobicContact CD2-CD1 4.1Å; L17-L215 HydrophobicContact CD2-CD2 3.96Å; L17-F218 HydrophobicContact CD2-CE1 4.47Å
18T98.6Very high96.7Very high16 Ų1656.2 Ų56.210%0.09831%0.309CS..EExtended strand (participates in β ladder)trans-123.7130.4175.7-58.50000110.2V7 F8 K9 E20 V34 R35V7-T18 HydrophobicContact CG1-CG2 3.59Å; F8-T18 CarbonylContact O-C 3.46Å; F8-T18 VanDerWaalsContact O-CA 3.3Å; F8-T18 WeakPolarHBondContact O-CA 3.32Å; K9-T18 HydrophobicContact CG-CG2 4.07Å; T18-E20 HydrophobicContact CG2-CG 3.96Å; T18-V34 CarbonylContact O-C 3.57Å; T18-V34 WeakPolarHBondContact O-CA 3.46Å; T18-R35 PolarHBondContact N-O 2.83Å; T18-R35 PolarHBondContact O-N 2.86Å
19I98.6Very high96.7Very high1 Ų156.7 Ų56.71%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-116.1122.6175.1-56.7-176.6000108.1F8 V32 V34 I132 M136 F218 I222F8-I19 PolarHBondContact N-O 3.12Å; F8-I19 PolarHBondContact O-N 2.88Å; I19-V32 HydrophobicContact CG2-CB 4.14Å; I19-V32 HydrophobicContact CG2-CG1 4.22Å; I19-V34 HydrophobicContact CG1-CG2 4.49Å; I19-I132 HydrophobicContact CD1-CG2 3.74Å; I19-M136 HydrophobicContact CD1-CG 3.94Å; I19-M136 HydrophobicContact CG2-CG 4.46Å; I19-F218 HydrophobicContact CD1-CD1 4.45Å; I19-F218 HydrophobicContact CD1-CE1 3.83Å; I19-F218 HydrophobicContact CG1-CE1 4.23Å; I19-I222 HydrophobicContact CB-CD1 4.17Å; I19-I222 HydrophobicContact CD1-CD1 4.04Å; I19-I222 HydrophobicContact CG2-CD1 4.37Å
20E98.2Very high96.6Very high16 Ų1649.3 Ų49.38%0.07528%0.281CS..EExtended strand (participates in β ladder)trans-116.4140.4-180-45.9177-154.300110.6K5 K6 V7 T18 V32 L33 R35K5-E20 WeakPolarHBondContact CE-OE2 3.46Å; K5-E20 IonicContact NZ-OE2 2.63Å; K5-E20 PolarHBondContact NZ-OE2 3.23Å; K6-E20 VanDerWaalsContact O-CA 3.27Å; K6-E20 WeakPolarHBondContact O-CA 3.49Å; V7-E20 HydrophobicContact CG1-CG 4.35Å; V7-E20 HydrophobicContact CG2-CG 4.23Å; T18-E20 HydrophobicContact CG2-CG 3.96Å; E20-V32 CarbonylContact O-C 3.58Å; E20-V32 VanDerWaalsContact O-CA 3.22Å; E20-V32 WeakPolarHBondContact O-CA 3.36Å; E20-L33 HydrophobicContact CB-CB 4.22Å; E20-L33 PolarHBondContact N-O 2.84Å; E20-L33 PolarHBondContact O-N 3.29Å; E20-R35 WeakPolarHBondContact OE1-CD 3.03Å; E20-R35 IonicContact OE1-CZ 3.96Å; E20-R35 IonicContact OE1-NE 3.87Å; E20-R35 PolarHBondContact OE1-NE 2.86Å; E20-R35 IonicContact OE1-NH2 2.71Å
21T97.6Very high96.7Very high10 Ų1047.8 Ų47.86%0.06127%0.272CS..EExtended strand (participates in β ladder)trans-143.6164.6176.4-1700000112.1K6 F8 Q23 A31 I226K6-T21 HydrophobicContact CB-CG2 4.12Å; K6-T21 PolarHBondContact N-O 3.08Å; K6-T21 PolarHBondContact O-N 3.25Å; F8-T21 HydrophobicContact CE2-CG2 4.4Å; T21-Q23 PolarHBondContact O-N 3.34Å; T21-A31 PolarHBondContact OG1-O 3.09Å; T21-I226 HydrophobicContact CG2-CD1 3.74Å
22G94.5Very high96.7Very high12 Ų1241.8 Ų41.812%0.12424%0.244CC..SBendtrans89-19.917800000115.9
23Q95.1Very high96.8Very high95 Ų9542.4 Ų42.444%0.44425%0.247SC..SBendtrans-89.5-40.4-176.7-172.4174.836.600114.1K5 T21 K26K5-Q23 HydrophobicContact CB-CB 4.22Å; K5-Q23 HydrophobicContact CG-CB 4.27Å; K5-Q23 VanDerWaalsContact NZ-OE1 3.08Å; T21-Q23 PolarHBondContact O-N 3.34Å; Q23-K26 WeakPolarHBondContact O-CE 3.43Å
24L96.1Very high97Very high74 Ų7440.9 Ų40.939%0.38723%0.234SC..SBendtrans-113.4157.9-168.8-59.3179.1000111.7K26 L33 L42L24-K26 VanDerWaalsContact C-N 3.27Å; L24-K26 PolarHBondContact O-N 3.49Å; L24-K26 VanDerWaalsContact O-N 3.16Å; L24-L33 HydrophobicContact CD1-CB 4.31Å; L24-L33 HydrophobicContact CD1-CD1 4.04Å; L24-L33 HydrophobicContact CD1-CD2 4.07Å; L24-L33 HydrophobicContact CD1-CG 4.39Å; L24-L42 HydrophobicContact CB-CD1 4.1Å; L24-L42 HydrophobicContact CD1-CD1 4.31Å
25A96.7Very high97.3Very high43 Ų4342 Ų4236%0.35522%0.217SC..  trans48.142.3176.500000114.9Q27 A28 A31 T44A25-Q27 PolarHBondContact O-N 2.76Å; A25-A28 WeakPolarHBondContact O-CB 3.39Å; A25-A28 PolarHBondContact O-N 2.98Å; A25-A31 HydrophobicContact CB-CB 3.78Å; A25-T44 HydrophobicContact CB-CG2 3.54Å
26K94.1Very high97.4Very high118 Ų11839.4 Ų39.451%0.51321%0.207SC..THydrogen-bonded Turntrans-60.1-8.2-170.7-58.2-176.7178.5-176.70116.7Q23 L24Q23-K26 WeakPolarHBondContact O-CE 3.43Å; L24-K26 VanDerWaalsContact C-N 3.27Å; L24-K26 PolarHBondContact O-N 3.49Å; L24-K26 VanDerWaalsContact O-N 3.16Å
27Q95.3Very high97.3Very high190 Ų19037.1 Ų37.189%0.88819%0.194SC*.THydrogen-bonded Turntrans-95.8-12.1177.7-65.2-64.9-30.100112.7A25A25-Q27 PolarHBondContact O-N 2.76Å
28A97.5Very high97.2Very high22 Ų2242.9 Ų42.918%0.18223%0.225CC..SBendtrans-73154.4172.600000110.5A25 G30 T46A25-A28 WeakPolarHBondContact O-CB 3.39Å; A25-A28 PolarHBondContact O-N 2.98Å; A28-G30 PolarHBondContact O-N 3.2Å; A28-T46 HydrophobicContact CB-CG2 3.89Å
29N97.3Very high97.2Very high45 Ų4542.1 Ų42.124%0.24122%0.221CC..SBendtrans-58.7-38.8171.7-67.985.3000110.8M1 A45 T46 A47 S141 D142 I143M1-N29 WeakPolarHBondContact CE-O 3.17Å; N29-A45 WeakPolarHBondContact CB-O 3.29Å; N29-A45 PolarHBondContact N-O 2.71Å; N29-A45 VanDerWaalsContact N-O 3.07Å; N29-T46 VanDerWaalsContact OD1-CA 3.29Å; N29-T46 WeakPolarHBondContact OD1-CA 3.4Å; N29-A47 PolarHBondContact OD1-N 2.87Å; N29-S141 VanDerWaalsContact C-CB 3.44Å; N29-S141 WeakPolarHBondContact O-CA 3.47Å; N29-S141 WeakPolarHBondContact O-CB 3.09Å; N29-D142 VanDerWaalsContact CB-OD1 3.3Å; N29-D142 WeakPolarHBondContact CB-OD1 3.29Å; N29-D142 PolarHBondContact ND2-OD1 3.19Å; N29-D142 PolarHBondContact ND2-OD2 3.34Å; N29-I143 HydrophobicContact CB-CD1 3.98Å; N29-I143 HydrophobicContact CB-CG1 4.08Å
30G97.6Very high97.2Very high0 Ų042.7 Ų42.70%022%0.224CC..EExtended strand (participates in β ladder)trans-148.5149.6170.300000113A28 T44 A45 A137A28-G30 PolarHBondContact O-N 3.2Å; G30-T44 CarbonylContact O-C 3.54Å; G30-T44 WeakPolarHBondContact O-CA 3.43Å; G30-A45 PolarHBondContact N-O 2.88Å; G30-A45 VanDerWaalsContact N-O 3.12Å; G30-A45 PolarHBondContact O-N 2.9Å; G30-A137 WeakPolarHBondContact CA-O 3.42Å
31A98.3Very high97.2Very high7 Ų742 Ų426%0.05822%0.22CC..EExtended strand (participates in β ladder)trans-152.5138.4179.500000111.8T21 A25 S43 T44T21-A31 PolarHBondContact OG1-O 3.09Å; A25-A31 HydrophobicContact CB-CB 3.78Å; A31-S43 WeakPolarHBondContact CA-O 3.44Å; A31-T44 HydrophobicContact CB-CG2 4.01Å
32V98.5Very high97.3Very high1 Ų142.5 Ų42.51%0.00622%0.223CC..EExtended strand (participates in β ladder)trans-138.7145.4174.1-60.60000111.4I19 E20 V34 S43 G133 M136 A137 V140I19-V32 HydrophobicContact CG2-CB 4.14Å; I19-V32 HydrophobicContact CG2-CG1 4.22Å; E20-V32 CarbonylContact O-C 3.58Å; E20-V32 VanDerWaalsContact O-CA 3.22Å; E20-V32 WeakPolarHBondContact O-CA 3.36Å; V32-V34 HydrophobicContact CG2-CG2 4.05Å; V32-S43 PolarHBondContact N-O 2.81Å; V32-S43 PolarHBondContact O-N 3.35Å; V32-G133 VanDerWaalsContact CG2-O 3.26Å; V32-G133 WeakPolarHBondContact CG2-O 3.35Å; V32-M136 HydrophobicContact CG1-CB 3.98Å; V32-M136 HydrophobicContact CG2-CB 3.94Å; V32-A137 HydrophobicContact CG2-CB 4.36Å; V32-V140 HydrophobicContact CG1-CG2 4.14Å
33L98.6Very high97.5Very high14 Ų1441.9 Ų41.97%0.07322%0.217CC..EExtended strand (participates in β ladder)trans-103.1114166.7-169.775.9000107.7E20 L24 V40 L42 L118E20-L33 HydrophobicContact CB-CB 4.22Å; E20-L33 PolarHBondContact N-O 2.84Å; E20-L33 PolarHBondContact O-N 3.29Å; L24-L33 HydrophobicContact CD1-CB 4.31Å; L24-L33 HydrophobicContact CD1-CD1 4.04Å; L24-L33 HydrophobicContact CD1-CD2 4.07Å; L24-L33 HydrophobicContact CD1-CG 4.39Å; L33-V40 HydrophobicContact CD1-CG1 3.61Å; L33-V40 HydrophobicContact CD2-CG1 4.24Å; L33-V40 HydrophobicContact CG-CG1 3.91Å; L33-L42 HydrophobicContact CD1-CB 4.06Å; L33-L42 HydrophobicContact CD1-CD1 4.36Å; L33-L118 HydrophobicContact CD1-CD1 3.94Å
34V98.7Very high97.7Very high0 Ų038.5 Ų38.50%020%0.202CC..EExtended strand (participates in β ladder)trans-97.4131.9177.3-177.60000108.7L17 T18 I19 V32 V40 V41 A129L17-V34 HydrophobicContact CD1-CG1 3.73Å; T18-V34 CarbonylContact O-C 3.57Å; T18-V34 WeakPolarHBondContact O-CA 3.46Å; I19-V34 HydrophobicContact CG1-CG2 4.49Å; V32-V34 HydrophobicContact CG2-CG2 4.05Å; V34-V40 CarbonylContact O-C 3.59Å; V34-V40 WeakPolarHBondContact O-CA 3.48Å; V34-V41 PolarHBondContact N-O 3.41Å; V34-V41 PolarHBondContact O-N 3.03Å; V34-A129 HydrophobicContact CG1-CB 4.12Å
35R98.6Very high97.8Very high94 Ų9435 Ų3536%0.35518%0.184SC..EExtended strand (participates in β ladder)trans-117.2117.7169.6-52-178.1172.5-85.2-7.1108.8L17 T18 E20 T39 V40L17-R35 CarbonylContact C-O 3.54Å; L17-R35 WeakPolarHBondContact CA-O 3.35Å; T18-R35 PolarHBondContact N-O 2.83Å; T18-R35 PolarHBondContact O-N 2.86Å; E20-R35 WeakPolarHBondContact OE1-CD 3.03Å; E20-R35 IonicContact OE1-CZ 3.96Å; E20-R35 IonicContact OE1-NE 3.87Å; E20-R35 PolarHBondContact OE1-NE 2.86Å; E20-R35 IonicContact OE1-NH2 2.71Å; R35-T39 CarbonylContact C-O 3.43Å; R35-T39 VanDerWaalsContact CA-O 3.26Å; R35-T39 WeakPolarHBondContact CA-O 3.34Å; R35-V40 HydrophobicContact CG-CG2 4.21Å
36Y98.2Very high97.9Very high0 Ų035 Ų350%018%0.18CC..EExtended strand (participates in β ladder)trans-118.7106.3172.6179.9-141.3000107.6W12 R15 S16 D38 T39 C124 N164W12-Y36 HydrophobicContact CB-CD2 4.28Å; W12-Y36 HydrophobicContact CB-CE2 3.77Å; W12-Y36 HydrophobicContact CD2-CD2 4.27Å; W12-Y36 HydrophobicContact CD2-CE1 4.42Å; W12-Y36 AromaticContact CD2-CE2 3.95Å; W12-Y36 HydrophobicContact CD2-CE2 3.95Å; W12-Y36 AromaticContact CE3-CD1 3.94Å; W12-Y36 HydrophobicContact CE3-CD1 3.94Å; W12-Y36 AromaticContact CE3-CD2 3.62Å; W12-Y36 HydrophobicContact CE3-CD2 3.62Å; W12-Y36 HydrophobicContact CE3-CE1 4.08Å; W12-Y36 AromaticContact CE3-CE2 3.76Å; W12-Y36 HydrophobicContact CE3-CE2 3.76Å; W12-Y36 AromaticContact CE3-CG 3.73Å; W12-Y36 HydrophobicContact CE3-CG 3.73Å; W12-Y36 AromaticContact CG-CE2 3.97Å; W12-Y36 HydrophobicContact CG-CE2 3.97Å; W12-Y36 HydrophobicContact CZ3-CD1 4.01Å; W12-Y36 HydrophobicContact CZ3-CD2 4.4Å; W12-Y36 HydrophobicContact CZ3-CE1 4.36Å; W12-Y36 HydrophobicContact CZ3-CG 4.05Å; W12-Y36 VanDerWaalsContact O-CE2 3.27Å; W12-Y36 WeakPolarHBondContact O-CE2 3.37Å; W12-Y36 PolarHBondContact O-OH 3.47Å; R15-Y36 HydrophobicContact CB-CD2 4.45Å; R15-Y36 HydrophobicContact CB-CE2 3.75Å; R15-Y36 PolarHBondContact NH1-OH 2.94Å; S16-Y36 WeakPolarHBondContact O-CA 3.48Å; Y36-D38 PolarHBondContact O-N 2.95Å; Y36-T39 PolarHBondContact N-O 3.36Å; Y36-T39 VanDerWaalsContact O-CB 3.27Å; Y36-T39 WeakPolarHBondContact O-CB 3.32Å; Y36-T39 PolarHBondContact O-N 2.81Å; Y36-C124 HydrophobicContact CD1-CB 3.58Å; Y36-C124 HydrophobicContact CE1-CB 3.89Å; Y36-C124 HydrophobicContact CG-CB 4.02Å; Y36-C124 WeakPolarHBondContact O-CB 3.12Å; Y36-N164 WeakPolarHBondContact OH-CB 3.34Å; Y36-N164 PolarHBondContact OH-ND2 2.89Å
37G97Very high98Very high20 Ų2030.5 Ų30.521%0.20617%0.165CC..THydrogen-bonded Turntrans53.6-127.2-160.900000110.5S16S16-G37 PolarHBondContact O-N 3.44Å
38D96.7Very high98.1Very high123 Ų12323 Ų2366%0.65813%0.133SC*.THydrogen-bonded Turntrans-93.3-0.6175.6-73.5-25.4000113.7Y36 S119 D121Y36-D38 PolarHBondContact O-N 2.95Å; D38-S119 VanDerWaalsContact O-CB 3.27Å; D38-S119 WeakPolarHBondContact O-CB 3.2Å; D38-S119 PolarHBondContact O-OG 2.95Å; D38-D121 HydrophobicContact CB-CB 4.04Å
39T98.1Very high97.8Very high0 Ų031 Ų310%016%0.164CC..EExtended strand (participates in β ladder)trans-70.9130.9167.8-77.60000110R35 Y36 V41 S119 D121 C124 P126 A129R35-T39 CarbonylContact C-O 3.43Å; R35-T39 VanDerWaalsContact CA-O 3.26Å; R35-T39 WeakPolarHBondContact CA-O 3.34Å; Y36-T39 PolarHBondContact N-O 3.36Å; Y36-T39 VanDerWaalsContact O-CB 3.27Å; Y36-T39 WeakPolarHBondContact O-CB 3.32Å; Y36-T39 PolarHBondContact O-N 2.81Å; T39-V41 HydrophobicContact CG2-CG2 4.2Å; T39-S119 CarbonylContact C-O 3.58Å; T39-S119 WeakPolarHBondContact CA-O 3.5Å; T39-D121 PolarHBondContact OG1-N 3.49Å; T39-D121 PolarHBondContact OG1-O 2.78Å; T39-C124 VanDerWaalsContact CB-O 3.24Å; T39-C124 WeakPolarHBondContact CB-O 3.47Å; T39-C124 PolarHBondContact OG1-O 2.8Å; T39-P126 HydrophobicContact CG2-CB 3.73Å; T39-P126 HydrophobicContact CG2-CG 3.83Å; T39-A129 HydrophobicContact CG2-CB 4.11Å
40V98.5Very high97.6Very high13 Ų1335.7 Ų35.78%0.07918%0.184CC..EExtended strand (participates in β ladder)trans-130.1122.4-179.3-175.40000109.7L33 V34 R35 L118 S119L33-V40 HydrophobicContact CD1-CG1 3.61Å; L33-V40 HydrophobicContact CD2-CG1 4.24Å; L33-V40 HydrophobicContact CG-CG1 3.91Å; V34-V40 CarbonylContact O-C 3.59Å; V34-V40 WeakPolarHBondContact O-CA 3.48Å; R35-V40 HydrophobicContact CG-CG2 4.21Å; V40-L118 HydrophobicContact CB-CB 4.36Å; V40-L118 HydrophobicContact CG1-CB 4.28Å; V40-L118 HydrophobicContact CG1-CD1 4.48Å; V40-L118 PolarHBondContact O-N 2.98Å; V40-S119 PolarHBondContact N-O 2.88Å; V40-S119 PolarHBondContact O-N 2.73Å
41V98.7Very high97.2Very high0 Ų039.3 Ų39.30%021%0.208CC..EExtended strand (participates in β ladder)trans-124.4129177.7-176.70000109.8V34 T39 N115 M116 V117 P126 A129 A130V34-V41 PolarHBondContact N-O 3.41Å; V34-V41 PolarHBondContact O-N 3.03Å; T39-V41 HydrophobicContact CG2-CG2 4.2Å; V41-N115 HydrophobicContact CG1-CB 4.24Å; V41-M116 WeakPolarHBondContact CA-O 3.28Å; V41-V117 HydrophobicContact CG2-CG2 4.44Å; V41-P126 HydrophobicContact CG2-CB 4.34Å; V41-A129 HydrophobicContact CG2-CB 3.93Å; V41-A130 HydrophobicContact CG1-CB 4Å
42L98.7Very high96.7Very high21 Ų2145.6 Ų45.611%0.1123%0.23CC..EExtended strand (participates in β ladder)trans-93.1117.3166.4177.267.7000108.6L24 L33 T44 M116 L118L24-L42 HydrophobicContact CB-CD1 4.1Å; L24-L42 HydrophobicContact CD1-CD1 4.31Å; L33-L42 HydrophobicContact CD1-CB 4.06Å; L33-L42 HydrophobicContact CD1-CD1 4.36Å; L42-T44 HydrophobicContact CD1-CG2 4.47Å; L42-T44 HydrophobicContact CG-CG2 4.23Å; L42-M116 HydrophobicContact CB-CE 4.41Å; L42-M116 HydrophobicContact CD2-CE 3.68Å; L42-M116 PolarHBondContact N-O 2.93Å; L42-M116 PolarHBondContact O-N 3.02Å; L42-L118 HydrophobicContact CB-CD1 3.94Å
43S98.8Very high95.8Very high0 Ų052.6 Ų52.60%027%0.268CS..EExtended strand (participates in β ladder)trans-111.9130.3176.5-59.20000110A31 V32 M114 N115 G133A31-S43 WeakPolarHBondContact CA-O 3.44Å; V32-S43 PolarHBondContact N-O 2.81Å; V32-S43 PolarHBondContact O-N 3.35Å; S43-M114 CarbonylContact C-O 3.54Å; S43-M114 VanDerWaalsContact CA-O 3.32Å; S43-M114 WeakPolarHBondContact CA-O 3.4Å; S43-N115 VanDerWaalsContact CB-OD1 3.3Å; S43-N115 WeakPolarHBondContact CB-OD1 3.24Å; S43-N115 PolarHBondContact OG-OD1 3.45Å; S43-G133 VanDerWaalsContact CB-O 3.23Å; S43-G133 WeakPolarHBondContact CB-O 3.19Å; S43-G133 WeakPolarHBondContact OG-CA 3.4Å
44T98.7Very high94.9Very high23 Ų2353.1 Ų53.114%0.14128%0.276CS..EExtended strand (participates in β ladder)trans-128.6146.2177.470.90000111A25 G30 A31 L42 I113 M114A25-T44 HydrophobicContact CB-CG2 3.54Å; G30-T44 CarbonylContact O-C 3.54Å; G30-T44 WeakPolarHBondContact O-CA 3.43Å; A31-T44 HydrophobicContact CB-CG2 4.01Å; L42-T44 HydrophobicContact CD1-CG2 4.47Å; L42-T44 HydrophobicContact CG-CG2 4.23Å; T44-I113 CarbonylContact O-C 3.55Å; T44-I113 VanDerWaalsContact O-CA 3.29Å; T44-I113 WeakPolarHBondContact O-CA 3.27Å; T44-M114 PolarHBondContact N-O 2.91Å; T44-M114 PolarHBondContact O-N 3.23Å
45A98.7Very high93.8Very high0 Ų060.9 Ų60.90%032%0.318CS..EExtended strand (participates in β ladder)trans-121.9135.6173.500000110N29 G30 Q112 A137 L138 I143N29-A45 WeakPolarHBondContact CB-O 3.29Å; N29-A45 PolarHBondContact N-O 2.71Å; N29-A45 VanDerWaalsContact N-O 3.07Å; G30-A45 PolarHBondContact N-O 2.88Å; G30-A45 VanDerWaalsContact N-O 3.12Å; G30-A45 PolarHBondContact O-N 2.9Å; A45-Q112 WeakPolarHBondContact CA-O 3.41Å; A45-A137 HydrophobicContact CB-CB 4.06Å; A45-L138 HydrophobicContact CB-CD2 3.77Å; A45-L138 HydrophobicContact CB-CG 4.14Å; A45-I143 HydrophobicContact CB-CD1 4.08Å
46T98.4Very high93.1Very high45 Ų4563.1 Ų63.128%0.27633%0.33SS..EExtended strand (participates in β ladder)trans-136.5145.2178.547.90000110.4A28 N29 V111 Q112A28-T46 HydrophobicContact CB-CG2 3.89Å; N29-T46 VanDerWaalsContact OD1-CA 3.29Å; N29-T46 WeakPolarHBondContact OD1-CA 3.4Å; T46-V111 CarbonylContact O-C 3.56Å; T46-V111 WeakPolarHBondContact O-CA 3.29Å; T46-Q112 PolarHBondContact N-O 3.22Å; T46-Q112 PolarHBondContact O-N 3.33Å; T46-Q112 PolarHBondContact OG1-O 3.29Å
47A97.7Very high92.8Very high23 Ų2364.7 Ų64.719%0.1934%0.337CS..EExtended strand (participates in β ladder)trans-127.2147.7174.700000111.8N29 D110 V111 I143N29-A47 PolarHBondContact OD1-N 2.87Å; A47-D110 CarbonylContact C-O 3.58Å; A47-D110 WeakPolarHBondContact CA-O 3.24Å; A47-V111 HydrophobicContact CB-CG2 4.35Å; A47-I143 HydrophobicContact CB-CD1 3.8Å; A47-I143 HydrophobicContact CB-CG1 3.81Å
48S96.3Very high92.6Very high32 Ų3264.2 Ų64.222%0.22433%0.33CS..EExtended strand (participates in β ladder)trans-67.2151.9170.1640000111.4E50 H109 D110S48-E50 WeakPolarHBondContact CB-O 3.4Å; S48-E50 PolarHBondContact OG-O 2.97Å; S48-H109 PolarHBondContact O-ND1 2.89Å; S48-H109 WeakPolarHBondContact OG-CA 3.11Å; S48-D110 PolarHBondContact N-O 3.02Å; S48-D110 PolarHBondContact OG-N 2.86Å
49K92.6Very high92.6Very high189 Ų18958.8 Ų58.882%0.82230%0.301SS*.EExtended strand (participates in β ladder)trans-69.6-41.9175.3-67.6-176.7178.3-178.50112.4H109K49-H109 PolarHBondContact O-CE1 3.01Å
50E91.7Very high92.5Very high144 Ų14461.6 Ų61.667%0.67332%0.318SS*.EExtended strand (participates in β ladder)trans-107.6148.5-179-57-55.4142.100110.1S48S48-E50 WeakPolarHBondContact CB-O 3.4Å; S48-E50 PolarHBondContact OG-O 2.97Å
51P89.8Confident92.5Very high76 Ų7661 Ų6149%0.49431%0.314SS..EExtended strand (participates in β ladder)trans-65.8151.7170.829.8-34.9000110.7K108P51-K108 HydrophobicContact CB-CB 4.07Å
52R87.5Confident92.4Very high140 Ų14061.9 Ų61.953%0.52832%0.32SS..PPolyproline II helixtrans-93.9141.1174.9-179.1174.6174.9179.4-1.5110.2P58 K108 D110R52-P58 HydrophobicContact CB-CG 4.45Å; R52-K108 PolarHBondContact N-O 2.98Å; R52-D110 WeakPolarHBondContact CD-OD1 3.34Å; R52-D110 IonicContact NH1-OD1 3.58Å; R52-D110 PolarHBondContact NH1-OD1 3.32Å
53D80.5Confident92.3Very high148 Ų14861.3 Ų61.379%0.79132%0.316SS*.SBendtrans-72.6132.7171.5-159.19.3000110.6
54G78.2Confident92.2Very high24 Ų2463.8 Ų63.825%0.24733%0.328CS..SBendtrans149.1172-175.100000114.7K108G54-K108 VanDerWaalsContact O-CE 3.26Å; G54-K108 WeakPolarHBondContact O-CE 3.31Å; G54-K108 PolarHBondContact O-NZ 3.09Å
55D75.8Confident91.8Very high164 Ų16464.3 Ų64.388%0.87733%0.328SS*.SBendtrans-97.5-1-166.9-55.4-36000114.5
56F84.7Confident91.4Very high141 Ų14166 Ų6662%0.61834%0.335SS*.SBendtrans-138158.3-176.167.4-89.4000112.3P58F56-P58 HydrophobicContact CE2-CB 4.35Å; F56-P58 VanDerWaalsContact O-CD 3.23Å; F56-P58 WeakPolarHBondContact O-CD 3.46Å
57F91.4Very high91.1Very high33 Ų3365 Ų6515%0.14533%0.328CS..  trans-71.8114.8174.7170.3-138.4000111.2L59 R100 F103 Y107 V111F57-L59 VanDerWaalsContact C-N 3.29Å; F57-L59 HydrophobicContact CD1-CB 4Å; F57-L59 HydrophobicContact CE1-CB 3.53Å; F57-L59 HydrophobicContact CE1-CD2 4.14Å; F57-L59 HydrophobicContact CE1-CG 4.34Å; F57-L59 HydrophobicContact CE2-CB 4.37Å; F57-L59 HydrophobicContact CZ-CB 3.72Å; F57-L59 PolarHBondContact O-N 2.83Å; F57-R100 HydrophobicContact CD1-CG 4.24Å; F57-R100 PolarHBondContact O-NH1 2.81Å; F57-F103 HydrophobicContact CD1-CB 4.19Å; F57-F103 HydrophobicContact CD1-CG 4.32Å; F57-F103 HydrophobicContact CE1-CB 3.71Å; F57-F103 AromaticContact CE1-CD1 3.84Å; F57-F103 HydrophobicContact CE1-CD1 3.84Å; F57-F103 AromaticContact CE1-CD2 3.47Å; F57-F103 HydrophobicContact CE1-CD2 3.47Å; F57-F103 VanDerWaalsContact CE1-CD2 3.47Å; F57-F103 HydrophobicContact CE1-CE1 4.29Å; F57-F103 AromaticContact CE1-CE2 3.97Å; F57-F103 HydrophobicContact CE1-CE2 3.97Å; F57-F103 AromaticContact CE1-CG 3.38Å; F57-F103 HydrophobicContact CE1-CG 3.38Å; F57-F103 HydrophobicContact CE1-CZ 4.35Å; F57-F103 HydrophobicContact CE2-CD1 4.18Å; F57-F103 HydrophobicContact CE2-CE1 4.46Å; F57-F103 HydrophobicContact CE2-CG 4.49Å; F57-F103 HydrophobicContact CZ-CB 4.12Å; F57-F103 AromaticContact CZ-CD1 3.41Å; F57-F103 HydrophobicContact CZ-CD1 3.41Å; F57-F103 VanDerWaalsContact CZ-CD1 3.41Å; F57-F103 AromaticContact CZ-CD2 3.82Å; F57-F103 HydrophobicContact CZ-CD2 3.82Å; F57-F103 AromaticContact CZ-CE1 3.61Å; F57-F103 HydrophobicContact CZ-CE1 3.61Å; F57-F103 HydrophobicContact CZ-CE2 4.01Å; F57-F103 AromaticContact CZ-CG 3.5Å; F57-F103 HydrophobicContact CZ-CG 3.5Å; F57-F103 VanDerWaalsContact CZ-CG 3.5Å; F57-F103 AromaticContact CZ-CZ 3.91Å; F57-F103 HydrophobicContact CZ-CZ 3.91Å; F57-Y107 HydrophobicContact CD2-CD1 4Å; F57-Y107 WeakPolarHBondContact CD2-O 3.2Å; F57-Y107 AromaticContact CE2-CD1 3.48Å; F57-Y107 HydrophobicContact CE2-CD1 3.48Å; F57-Y107 VanDerWaalsContact CE2-CD1 3.48Å; F57-Y107 HydrophobicContact CE2-CE1 4.02Å; F57-Y107 HydrophobicContact CZ-CD1 4.1Å; F57-V111 HydrophobicContact CE2-CB 4.19Å; F57-V111 HydrophobicContact CE2-CG2 3.79Å; F57-V111 HydrophobicContact CZ-CB 4.06Å; F57-V111 HydrophobicContact CZ-CG2 3.89Å
58P93.2Very high90.9Very high9 Ų969.4 Ų69.46%0.05834%0.341CS..  trans-83.167.9-17531.5-31000112.8R52 F56 D110 V111R52-P58 HydrophobicContact CB-CG 4.45Å; F56-P58 HydrophobicContact CE2-CB 4.35Å; F56-P58 VanDerWaalsContact O-CD 3.23Å; F56-P58 WeakPolarHBondContact O-CD 3.46Å; P58-D110 WeakPolarHBondContact CB-OD1 3.44Å; P58-V111 PolarHBondContact O-N 2.87Å
59L96Very high90.8Very high10 Ų1068.2 Ų68.25%0.05233%0.333CS..EExtended strand (participates in β ladder)trans-85.3127.3167.4172.466.7000110.9F57 V61 I99 R100 V111 I113F57-L59 VanDerWaalsContact C-N 3.29Å; F57-L59 HydrophobicContact CD1-CB 4Å; F57-L59 HydrophobicContact CE1-CB 3.53Å; F57-L59 HydrophobicContact CE1-CD2 4.14Å; F57-L59 HydrophobicContact CE1-CG 4.34Å; F57-L59 HydrophobicContact CE2-CB 4.37Å; F57-L59 HydrophobicContact CZ-CB 3.72Å; F57-L59 PolarHBondContact O-N 2.83Å; L59-V61 HydrophobicContact CD1-CG2 4.17Å; L59-V61 HydrophobicContact CD2-CG2 4.27Å; L59-V61 HydrophobicContact CG-CG2 4.12Å; L59-I99 HydrophobicContact CD2-CG2 3.98Å; L59-R100 HydrophobicContact CD2-CB 3.99Å; L59-R100 PolarHBondContact O-NH2 3.12Å; L59-V111 CarbonylContact C-O 3.58Å; L59-V111 WeakPolarHBondContact CA-O 3.48Å; L59-V111 HydrophobicContact CD1-CB 3.97Å; L59-V111 HydrophobicContact CD1-CG1 3.65Å; L59-I113 HydrophobicContact CD1-CD1 4.03Å; L59-I113 HydrophobicContact CD1-CG1 4.14Å
60T96.8Very high90.8Very high58 Ų5860.9 Ų60.936%0.35631%0.308SS..EExtended strand (participates in β ladder)trans-118.1114.4170.2-57.10000110.1V111 Q112 I113T60-V111 PolarHBondContact N-O 2.84Å; T60-Q112 WeakPolarHBondContact O-CA 3.17Å; T60-I113 PolarHBondContact O-N 3.05Å
61V98Very high90.8Very high0 Ų057.5 Ų57.50%031%0.311CS..EExtended strand (participates in β ladder)trans-98.6132167.9-173.70000109.6L59 I95 D96 I113 R402L59-V61 HydrophobicContact CD1-CG2 4.17Å; L59-V61 HydrophobicContact CD2-CG2 4.27Å; L59-V61 HydrophobicContact CG-CG2 4.12Å; V61-I95 HydrophobicContact CG1-CB 4.03Å; V61-I95 HydrophobicContact CG1-CG2 3.83Å; V61-D96 HydrophobicContact CB-CB 4.17Å; V61-D96 HydrophobicContact CG2-CB 3.77Å; V61-I113 HydrophobicContact CG1-CB 4.41Å; V61-I113 HydrophobicContact CG2-CB 4.33Å; V61-I113 HydrophobicContact CG2-CD1 4.08Å; V61-R402 PolarHBondContact O-NH1 3.33Å
62N97.2Very high90.8Very high20 Ų2056.7 Ų56.711%0.10730%0.3CS..EExtended strand (participates in β ladder)trans-123.9143.2173.6-64.8-54000110.4I113 M114 N115 R402N62-I113 PolarHBondContact N-O 2.97Å; N62-M114 HydrophobicContact CB-CE 3.83Å; N62-M114 HydrophobicContact CB-SD 3.69Å; N62-N115 WeakPolarHBondContact O-CB 3.44Å; N62-N115 PolarHBondContact O-N 2.97Å; N62-N115 PolarHBondContact O-ND2 3.49Å; N62-R402 PolarHBondContact OD1-NH2 2.91Å
63Y97.2Very high90.8Very high8 Ų856 Ų563%0.03131%0.306CS..EExtended strand (participates in β ladder)trans-128.7117.9173.7-179.5-94.1000108E65 A88 T91 I95 N115 V117 P126 Q127 A130Y63-E65 HydrophobicContact CD1-CG 3.92Å; Y63-E65 HydrophobicContact CE1-CG 3.46Å; Y63-E65 VanDerWaalsContact CE1-CG 3.46Å; Y63-A88 HydrophobicContact CD1-CB 3.94Å; Y63-T91 HydrophobicContact CD1-CG2 3.77Å; Y63-T91 HydrophobicContact CD2-CG2 3.34Å; Y63-T91 HydrophobicContact CE1-CG2 3.95Å; Y63-T91 HydrophobicContact CE2-CG2 3.59Å; Y63-T91 HydrophobicContact CG-CG2 3.41Å; Y63-T91 VanDerWaalsContact CG-CG2 3.41Å; Y63-I95 HydrophobicContact CD2-CD1 4.49Å; Y63-N115 WeakPolarHBondContact CA-O 3.21Å; Y63-N115 HydrophobicContact CD2-CB 3.95Å; Y63-V117 HydrophobicContact CD2-CG2 4.45Å; Y63-V117 HydrophobicContact CE1-CG2 4.15Å; Y63-V117 HydrophobicContact CE2-CG2 3.64Å; Y63-V117 VanDerWaalsContact CZ-CG2 3.5Å; Y63-P126 WeakPolarHBondContact OH-CB 2.96Å; Y63-Q127 PolarHBondContact OH-N 2.84Å; Y63-A130 HydrophobicContact CD2-CB 3.74Å; Y63-A130 HydrophobicContact CE2-CB 3.64Å
64E95.3Very high91Very high53 Ų5349.8 Ų49.825%0.24827%0.273CS..EExtended strand (participates in β ladder)trans-110.799-171.1-73-73.614600109.3K66 M114 N115 V117E64-K66 PolarHBondContact O-N 3.15Å; E64-K66 IonicContact OE2-NZ 3.84Å; E64-K66 PolarHBondContact OE2-NZ 3.21Å; E64-M114 HydrophobicContact CG-SD 3.5Å; E64-M114 VanDerWaalsContact CG-SD 3.5Å; E64-N115 PolarHBondContact N-O 3.07Å; E64-V117 PolarHBondContact O-N 2.57Å; E64-V117 VanDerWaalsContact O-N 3.1Å
65E91.3Very high91Very high33 Ų3350.4 Ų50.415%0.15428%0.279CS..  trans-72.4121.6168.5-64-174114.200109.7Y63 A88 L372Y63-E65 HydrophobicContact CD1-CG 3.92Å; Y63-E65 HydrophobicContact CE1-CG 3.46Å; Y63-E65 VanDerWaalsContact CE1-CG 3.46Å; E65-A88 HydrophobicContact CG-CB 4.04Å; E65-L372 HydrophobicContact CB-CD1 4.02Å; E65-L372 HydrophobicContact CB-CD2 4.39Å; E65-L372 HydrophobicContact CB-CG 4.03Å; E65-L372 HydrophobicContact CG-CD1 3.88Å; E65-L372 HydrophobicContact CG-CG 4.13Å
66K90.6Very high91.1Very high35 Ų3545.2 Ų45.215%0.15226%0.264CS..  trans-112.3118.5176.5-59.2-61.4-173.5-151.90108E64 Y68 A69 E81 M116 V117 L372E64-K66 PolarHBondContact O-N 3.15Å; E64-K66 IonicContact OE2-NZ 3.84Å; E64-K66 PolarHBondContact OE2-NZ 3.21Å; K66-Y68 HydrophobicContact CB-CD1 3.8Å; K66-Y68 HydrophobicContact CB-CD2 3.98Å; K66-Y68 HydrophobicContact CB-CE1 3.44Å; K66-Y68 VanDerWaalsContact CB-CE1 3.44Å; K66-Y68 HydrophobicContact CB-CE2 3.59Å; K66-Y68 HydrophobicContact CB-CG 4.06Å; K66-Y68 HydrophobicContact CD-CE1 4.07Å; K66-Y68 HydrophobicContact CG-CE1 3.78Å; K66-Y68 HydrophobicContact CG-CE2 4.18Å; K66-Y68 WeakPolarHBondContact CG-OH 3.34Å; K66-Y68 PolarHBondContact O-N 3.47Å; K66-A69 WeakPolarHBondContact O-CA 3.41Å; K66-A69 WeakPolarHBondContact O-CB 3.42Å; K66-A69 PolarHBondContact O-N 2.99Å; K66-E81 HydrophobicContact CD-CG 4.04Å; K66-M116 HydrophobicContact CG-CG 4.19Å; K66-V117 WeakPolarHBondContact CB-O 3.25Å; K66-L372 VanDerWaalsContact O-CD2 3.24Å; K66-L372 WeakPolarHBondContact O-CD2 3.3Å
67M90.9Very high91.1Very high25 Ų2549 Ų4912%0.12328%0.281CS..G310 helixtrans-60.5-26.5-175.3-67.4-62.5178.300112.8A69 A70 G71 K72 P74 D370M67-A69 PolarHBondContact O-N 2.89Å; M67-A70 PolarHBondContact O-N 3.44Å; M67-A70 VanDerWaalsContact O-N 3.09Å; M67-G71 PolarHBondContact O-N 3.29Å; M67-K72 CarbonylContact C-O 3.59Å; M67-K72 VanDerWaalsContact C-O 3.25Å; M67-K72 HydrophobicContact CB-CB 4.21Å; M67-K72 WeakPolarHBondContact CB-O 3.47Å; M67-K72 PolarHBondContact O-N 3.32Å; M67-P74 HydrophobicContact CB-CG 3.88Å; M67-P74 HydrophobicContact CG-CB 4.1Å; M67-P74 HydrophobicContact CG-CG 3.86Å; M67-D370 WeakPolarHBondContact CE-O 3.47Å
68Y93.7Very high90.9Very high115 Ų11556.6 Ų56.645%0.45131%0.314SS..G310 helixtrans-60.6-23.5171.663.9-118.4000113.5K66 A70 G71 K72 L118K66-Y68 HydrophobicContact CB-CD1 3.8Å; K66-Y68 HydrophobicContact CB-CD2 3.98Å; K66-Y68 HydrophobicContact CB-CE1 3.44Å; K66-Y68 VanDerWaalsContact CB-CE1 3.44Å; K66-Y68 HydrophobicContact CB-CE2 3.59Å; K66-Y68 HydrophobicContact CB-CG 4.06Å; K66-Y68 HydrophobicContact CD-CE1 4.07Å; K66-Y68 HydrophobicContact CG-CE1 3.78Å; K66-Y68 HydrophobicContact CG-CE2 4.18Å; K66-Y68 WeakPolarHBondContact CG-OH 3.34Å; K66-Y68 PolarHBondContact O-N 3.47Å; Y68-A70 PolarHBondContact O-N 3.1Å; Y68-G71 PolarHBondContact O-N 2.78Å; Y68-K72 PolarHBondContact N-O 3.16Å; Y68-L118 HydrophobicContact CE2-CD2 4.15Å; Y68-L118 WeakPolarHBondContact OH-CD2 3.36Å
69A94.7Very high90.6Very high8 Ų862 Ų627%0.06634%0.337CS..G310 helixtrans-65.3-26.9176.900000112K66 M67 V117 A120 L372K66-A69 WeakPolarHBondContact O-CA 3.41Å; K66-A69 WeakPolarHBondContact O-CB 3.42Å; K66-A69 PolarHBondContact O-N 2.99Å; M67-A69 PolarHBondContact O-N 2.89Å; A69-V117 HydrophobicContact CB-CG1 4Å; A69-A120 HydrophobicContact CB-CB 4.35Å; A69-A120 PolarHBondContact O-N 3Å; A69-L372 HydrophobicContact CB-CD2 4.16Å
70A92.1Very high90.2Very high35 Ų3570.8 Ų70.829%0.28937%0.369SS..G310 helixtrans-100.59.2171.600000112.6M67 Y68 K72 L372M67-A70 PolarHBondContact O-N 3.44Å; M67-A70 VanDerWaalsContact O-N 3.09Å; Y68-A70 PolarHBondContact O-N 3.1Å; A70-K72 HydrophobicContact CB-CD 4.22Å; A70-K72 HydrophobicContact CB-CG 4.09Å; A70-K72 PolarHBondContact O-N 2.92Å; A70-L372 HydrophobicContact CB-CD2 4.34Å
71G91.1Very high89.6Confident72 Ų7271.3 Ų71.374%0.74237%0.368SS*.THydrogen-bonded Turntrans67.717.8-174.700000114.6M67 Y68M67-G71 PolarHBondContact O-N 3.29Å; Y68-G71 PolarHBondContact O-N 2.78Å
72K89.7Confident89Confident59 Ų5974.6 Ų74.626%0.25740%0.402SS..PPolyproline II helixtrans-98.7154-177.2-61.3-178.6-173.3176.80112M67 Y68 A70 D370 G371 G373M67-K72 CarbonylContact C-O 3.59Å; M67-K72 VanDerWaalsContact C-O 3.25Å; M67-K72 HydrophobicContact CB-CB 4.21Å; M67-K72 WeakPolarHBondContact CB-O 3.47Å; M67-K72 PolarHBondContact O-N 3.32Å; Y68-K72 PolarHBondContact N-O 3.16Å; A70-K72 HydrophobicContact CB-CD 4.22Å; A70-K72 HydrophobicContact CB-CG 4.09Å; A70-K72 PolarHBondContact O-N 2.92Å; K72-D370 IonicContact NZ-OD1 3.52Å; K72-G371 PolarHBondContact NZ-O 3.49Å; K72-G373 PolarHBondContact NZ-O 3.21Å
73I88.7Confident88.5Confident127 Ų12783.9 Ų83.965%0.65144%0.435SS*.PPolyproline II helixtrans-94131.4165.7-59.6177.3000107.4G75 K79I73-G75 PolarHBondContact O-N 2.92Å; I73-K79 HydrophobicContact CG2-CB 4.21Å; I73-K79 HydrophobicContact CG2-CD 3.91Å; I73-K79 HydrophobicContact CG2-CG 4.47Å
74P85.2Confident88Confident16 Ų1686.3 Ų86.310%0.10445%0.452CS..PPolyproline II helixtrans-50.6140.6179-25.431.4000113.8M67 K79M67-P74 HydrophobicContact CB-CG 3.88Å; M67-P74 HydrophobicContact CG-CB 4.1Å; M67-P74 HydrophobicContact CG-CG 3.86Å; P74-K79 WeakPolarHBondContact O-CD 3.35Å; P74-K79 PolarHBondContact O-NZ 2.91Å
75G77.4Confident87.7Confident37 Ų3785.5 Ų85.538%0.38146%0.457SS..SBendtrans-57.8174.3170.600000114.2I73I73-G75 PolarHBondContact O-N 2.92Å
76G77.6Confident87.6Confident55 Ų5587.3 Ų87.357%0.56747%0.468SS*.THydrogen-bonded Turntrans73.5177177.100000115.7K78 K79G76-K78 PolarHBondContact O-N 2.79Å; G76-K79 VanDerWaalsContact O-CD 3.32Å; G76-K79 WeakPolarHBondContact O-CD 3.43Å; G76-K79 WeakPolarHBondContact O-CE 3.36Å
77F84.2Confident87.6Confident221 Ų22189.5 Ų89.597%0.96948%0.482SS*.THydrogen-bonded Turntrans-69.1-32.5-173.5-80.8-85.8000114.2
78K87.3Confident87.7Confident192 Ų19288.4 Ų88.484%0.83548%0.477SS*.THydrogen-bonded Turntrans-78.3-20.3-174-70.6-174.2179.5178.40113.8G76 R80G76-K78 PolarHBondContact O-N 2.79Å; K78-R80 PolarHBondContact O-N 2.82Å
79K87Confident87.7Confident122 Ų12283.5 Ų83.553%0.5346%0.459SS..  trans49.741-177.7-57.5-58.7-173.8-1800113.1I73 P74 G76I73-K79 HydrophobicContact CG2-CB 4.21Å; I73-K79 HydrophobicContact CG2-CD 3.91Å; I73-K79 HydrophobicContact CG2-CG 4.47Å; P74-K79 WeakPolarHBondContact O-CD 3.35Å; P74-K79 PolarHBondContact O-NZ 2.91Å; G76-K79 VanDerWaalsContact O-CD 3.32Å; G76-K79 WeakPolarHBondContact O-CD 3.43Å; G76-K79 WeakPolarHBondContact O-CE 3.36Å
80R88.2Confident87.6Confident196 Ų19684.5 Ų84.574%0.7446%0.463SS*.SBendtrans-147.5146.3-177.7-177.6175.1179.6174.11109.6K78 G82K78-R80 PolarHBondContact O-N 2.82Å; R80-G82 PolarHBondContact O-N 2.79Å
81E83.5Confident87.8Confident69 Ų6982.9 Ų82.932%0.32245%0.449SS..  trans-55.4128.5174.9-62.672.6-160.800110.4K66K66-E81 HydrophobicContact CD-CG 4.04Å
82G85.6Confident88Confident69 Ų6979.6 Ų79.671%0.71142%0.415SS*.  trans-102.5-141.2-177.800000111.9R80R80-G82 PolarHBondContact O-N 2.79Å
83R86.6Confident88.2Confident215 Ų21579.2 Ų79.281%0.81141%0.412SS*.SBendtrans-63.6149.9166.265.5177.3-177.4169.93.3109.7
84P88.1Confident88.5Confident59 Ų5973.2 Ų73.238%0.38338%0.381SS..  trans-53.5142.5170.9-25.134.4000111.4A88P84-A88 HydrophobicContact CB-CB 3.99Å
85G88Confident89.1Confident35 Ų3572.5 Ų72.536%0.36138%0.376SS..  trans-70.4176.6170.100000112.1T89G85-T89 WeakPolarHBondContact O-CB 3.4Å; G85-T89 PolarHBondContact O-N 2.84Å; G85-T89 PolarHBondContact O-OG1 3.26Å
86D89.5Confident89.9Confident72 Ų7272 Ų7239%0.38537%0.365SS..Hα-helixtrans-63.4-46176.6-69-6.1000110.1A88 T89 L90 I405D86-A88 PolarHBondContact O-N 2.82Å; D86-T89 CarbonylContact O-C 3.6Å; D86-T89 WeakPolarHBondContact O-CA 3.44Å; D86-T89 WeakPolarHBondContact O-CB 3.25Å; D86-T89 PolarHBondContact O-N 2.99Å; D86-L90 WeakPolarHBondContact O-CB 3.43Å; D86-L90 VanDerWaalsContact O-CG 3.23Å; D86-L90 WeakPolarHBondContact O-CG 3.48Å; D86-L90 PolarHBondContact O-N 3.08Å; D86-I405 HydrophobicContact CB-CG2 3.89Å
87D90.4Very high90.6Very high81 Ų8170.5 Ų70.543%0.43334%0.342SS..Hα-helixtrans-57.6-48.8177.5-171.973.8000112.7T89 L90 T91D87-T89 VanDerWaalsContact C-N 3.27Å; D87-T89 PolarHBondContact O-N 3.38Å; D87-L90 PolarHBondContact O-N 2.73Å; D87-T91 WeakPolarHBondContact O-CB 3.33Å; D87-T91 PolarHBondContact O-N 2.83Å; D87-T91 PolarHBondContact O-OG1 2.96Å
88A93Very high91Very high2 Ų260 Ų602%0.01730%0.296CS..Hα-helixtrans-58.8-38.8174.600000113Y63 E65 P84 D86 A92Y63-A88 HydrophobicContact CD1-CB 3.94Å; E65-A88 HydrophobicContact CG-CB 4.04Å; P84-A88 HydrophobicContact CB-CB 3.99Å; D86-A88 PolarHBondContact O-N 2.82Å; A88-A92 WeakPolarHBondContact O-CB 3.34Å; A88-A92 PolarHBondContact O-N 3.35Å
89T93.3Very high91.4Very high12 Ų1250.9 Ų50.97%0.07426%0.256CS..Hα-helixtrans-68.1-42.3177.5-62.70000111.6G85 D86 D87 A92 R93 R402G85-T89 WeakPolarHBondContact O-CB 3.4Å; G85-T89 PolarHBondContact O-N 2.84Å; G85-T89 PolarHBondContact O-OG1 3.26Å; D86-T89 CarbonylContact O-C 3.6Å; D86-T89 WeakPolarHBondContact O-CA 3.44Å; D86-T89 WeakPolarHBondContact O-CB 3.25Å; D86-T89 PolarHBondContact O-N 2.99Å; D87-T89 VanDerWaalsContact C-N 3.27Å; D87-T89 PolarHBondContact O-N 3.38Å; T89-A92 PolarHBondContact O-N 3.43Å; T89-R93 WeakPolarHBondContact O-CG 3.48Å; T89-R93 PolarHBondContact O-N 3.26Å; T89-R402 HydrophobicContact CG2-CB 3.7Å; T89-R402 HydrophobicContact CG2-CG 3.58Å
90L93.6Very high91.7Very high29 Ų2949 Ų4915%0.15225%0.246CC..Hα-helixtrans-65.7-46177-67.2171.1000110.8D86 D87 A92 R93 L94 A409D86-L90 WeakPolarHBondContact O-CB 3.43Å; D86-L90 VanDerWaalsContact O-CG 3.23Å; D86-L90 WeakPolarHBondContact O-CG 3.48Å; D86-L90 PolarHBondContact O-N 3.08Å; D87-L90 PolarHBondContact O-N 2.73Å; L90-A92 VanDerWaalsContact C-N 3.35Å; L90-A92 PolarHBondContact O-N 3.45Å; L90-R93 WeakPolarHBondContact O-CB 3.17Å; L90-R93 PolarHBondContact O-N 3.07Å; L90-R93 VanDerWaalsContact O-N 3.09Å; L90-L94 PolarHBondContact O-N 2.89Å; L90-A409 HydrophobicContact CD1-CB 3.68Å; L90-A409 HydrophobicContact CD2-CB 3.88Å; L90-A409 HydrophobicContact CG-CB 4.42Å
91T95.6Very high91.9Very high0 Ų040.9 Ų40.90%022%0.219CC..Hα-helixtrans-57.2-45.9175-72.40000111.9Y63 D87 R93 L94 I95 Q127Y63-T91 HydrophobicContact CD1-CG2 3.77Å; Y63-T91 HydrophobicContact CD2-CG2 3.34Å; Y63-T91 HydrophobicContact CE1-CG2 3.95Å; Y63-T91 HydrophobicContact CE2-CG2 3.59Å; Y63-T91 HydrophobicContact CG-CG2 3.41Å; Y63-T91 VanDerWaalsContact CG-CG2 3.41Å; D87-T91 WeakPolarHBondContact O-CB 3.33Å; D87-T91 PolarHBondContact O-N 2.83Å; D87-T91 PolarHBondContact O-OG1 2.96Å; T91-R93 VanDerWaalsContact C-N 3.27Å; T91-R93 PolarHBondContact O-N 2.86Å; T91-L94 WeakPolarHBondContact O-CB 3.33Å; T91-L94 PolarHBondContact O-N 3.33Å; T91-I95 HydrophobicContact CG2-CD1 3.84Å; T91-I95 WeakPolarHBondContact O-CG1 3.42Å; T91-I95 PolarHBondContact O-N 3.34Å; T91-Q127 HydrophobicContact CG2-CB 3.95Å; T91-Q127 HydrophobicContact CG2-CG 3.67Å; T91-Q127 WeakPolarHBondContact OG1-CG 3.34Å
92A96.4Very high92.3Very high3 Ų337.9 Ų37.93%0.02521%0.205CC..Hα-helixtrans-59.7-39.1177.100000112.2A88 T89 L90 D96A88-A92 WeakPolarHBondContact O-CB 3.34Å; A88-A92 PolarHBondContact O-N 3.35Å; T89-A92 PolarHBondContact O-N 3.43Å; L90-A92 VanDerWaalsContact C-N 3.35Å; L90-A92 PolarHBondContact O-N 3.45Å; A92-D96 WeakPolarHBondContact O-CB 3.47Å; A92-D96 PolarHBondContact O-N 2.82Å
93R93.9Very high92.7Very high52 Ų5235 Ų3520%0.19617%0.173CC..Hα-helixtrans-68.8-41174.9-68.217160.898.411.1112.2T89 L90 T91 I95 D96 R97 R402T89-R93 WeakPolarHBondContact O-CG 3.48Å; T89-R93 PolarHBondContact O-N 3.26Å; L90-R93 WeakPolarHBondContact O-CB 3.17Å; L90-R93 PolarHBondContact O-N 3.07Å; L90-R93 VanDerWaalsContact O-N 3.09Å; T91-R93 VanDerWaalsContact C-N 3.27Å; T91-R93 PolarHBondContact O-N 2.86Å; R93-I95 PolarHBondContact O-N 3.44Å; R93-D96 PolarHBondContact O-N 3.41Å; R93-R97 WeakPolarHBondContact O-CG 3.44Å; R93-R97 PolarHBondContact O-N 3.34Å; R93-R97 VanDerWaalsContact O-N 3.13Å; R93-R402 WeakPolarHBondContact CD-O 3.45Å; R93-R402 VanDerWaalsContact NH1-C 3.33Å; R93-R402 PolarHBondContact NH1-O 2.87Å
94L94.5Very high93Very high1 Ų125.9 Ų25.91%0.00514%0.141CC..Hα-helixtrans-57.2-41.1177.8-167.985.1000110.8L90 T91 P98 Q127 M128 M131 E178 M188 E190L90-L94 PolarHBondContact O-N 2.89Å; T91-L94 WeakPolarHBondContact O-CB 3.33Å; T91-L94 PolarHBondContact O-N 3.33Å; L94-P98 WeakPolarHBondContact O-CD 3.28Å; L94-Q127 HydrophobicContact CD2-CG 4.03Å; L94-M128 HydrophobicContact CD2-CE 3.62Å; L94-M131 HydrophobicContact CD2-CE 3.55Å; L94-M131 HydrophobicContact CG-CE 3.83Å; L94-E178 HydrophobicContact CD1-CB 4.21Å; L94-E178 VanDerWaalsContact CD1-OE2 3.27Å; L94-E178 WeakPolarHBondContact CD1-OE2 3.48Å; L94-E178 HydrophobicContact CD2-CB 4.33Å; L94-E178 WeakPolarHBondContact CD2-OE2 3.46Å; L94-M188 HydrophobicContact CD1-CE 3.36Å; L94-M188 HydrophobicContact CD1-SD 3.43Å; L94-M188 WeakPolarHBondContact CD1-SD 3.44Å; L94-M188 HydrophobicContact CD2-CE 4.22Å; L94-M188 HydrophobicContact CG-CE 3.53Å; L94-M188 HydrophobicContact CG-SD 4.22Å; L94-E190 HydrophobicContact CD1-CB 4.06Å
95I96.7Very high92.9Very high0 Ų032.4 Ų32.40%016%0.164CC..Hα-helixtrans-75.3-38.3178.9-63.5167.9000111.9V61 Y63 T91 R93 P98 I99 A130 M131 S134V61-I95 HydrophobicContact CG1-CB 4.03Å; V61-I95 HydrophobicContact CG1-CG2 3.83Å; Y63-I95 HydrophobicContact CD2-CD1 4.49Å; T91-I95 HydrophobicContact CG2-CD1 3.84Å; T91-I95 WeakPolarHBondContact O-CG1 3.42Å; T91-I95 PolarHBondContact O-N 3.34Å; R93-I95 PolarHBondContact O-N 3.44Å; I95-P98 WeakPolarHBondContact O-CD 3.38Å; I95-I99 HydrophobicContact CG2-CD1 3.66Å; I95-I99 WeakPolarHBondContact O-CD1 3.09Å; I95-I99 VanDerWaalsContact O-CG1 3.29Å; I95-I99 WeakPolarHBondContact O-CG1 3.45Å; I95-A130 HydrophobicContact CD1-CB 3.72Å; I95-M131 HydrophobicContact CG1-CB 4.04Å; I95-M131 HydrophobicContact CG1-CE 4.39Å; I95-M131 HydrophobicContact CG1-CG 4.4Å; I95-S134 WeakPolarHBondContact CG2-OG 3.35Å
96D94.9Very high92.9Very high26 Ų2633.5 Ų33.514%0.13917%0.174CC..Hα-helixtrans-60.2-48179.2-171.8-46.8000112V61 A92 R93 I99 R100V61-D96 HydrophobicContact CB-CB 4.17Å; V61-D96 HydrophobicContact CG2-CB 3.77Å; A92-D96 WeakPolarHBondContact O-CB 3.47Å; A92-D96 PolarHBondContact O-N 2.82Å; R93-D96 PolarHBondContact O-N 3.41Å; D96-I99 PolarHBondContact O-N 3.32Å; D96-R100 PolarHBondContact O-N 3.2Å; D96-R100 IonicContact OD1-CZ 3.47Å; D96-R100 IonicContact OD1-NE 2.85Å; D96-R100 PolarHBondContact OD1-NE 2.95Å; D96-R100 IonicContact OD1-NH2 3.41Å; D96-R100 PolarHBondContact OD1-NH2 2.86Å; D96-R100 VanDerWaalsContact OD1-NH2 3.09Å; D96-R100 IonicContact OD2-CZ 3.69Å; D96-R100 IonicContact OD2-NE 3.91Å; D96-R100 IonicContact OD2-NH2 3.41Å; D96-R100 PolarHBondContact OD2-NH2 3.22Å
97R92.4Very high93Very high25 Ų2530.2 Ų30.29%0.09416%0.157CC..Hα-helixtrans-50.7-53.4-174.4-78.7172.7177.2152.2-1.6115.2R93 I99 P101 M188 E190 D512R93-R97 WeakPolarHBondContact O-CG 3.44Å; R93-R97 PolarHBondContact O-N 3.34Å; R93-R97 VanDerWaalsContact O-N 3.13Å; R97-I99 VanDerWaalsContact C-N 3.31Å; R97-P101 WeakPolarHBondContact O-CD 3.46Å; R97-M188 HydrophobicContact CB-CB 4.2Å; R97-M188 HydrophobicContact CB-CG 3.74Å; R97-M188 HydrophobicContact CG-CG 4.4Å; R97-E190 IonicContact CZ-OE2 3.33Å; R97-E190 IonicContact NH1-OE2 3.09Å; R97-E190 PolarHBondContact NH1-OE2 3.15Å; R97-E190 IonicContact NH2-OE2 2.8Å; R97-D512 HydrophobicContact CG-CB 4.11Å
98P93.7Very high93.1Very high0 Ų029.9 Ų29.90%015%0.151CC..Hα-helixtrans-76.2-17.1178.731.1-37.6000113.5L94 I95 M131 I149 A180 N187 M188L94-P98 WeakPolarHBondContact O-CD 3.28Å; I95-P98 WeakPolarHBondContact O-CD 3.38Å; P98-M131 HydrophobicContact CG-CE 4.5Å; P98-I149 HydrophobicContact CB-CD1 3.61Å; P98-I149 HydrophobicContact CG-CD1 3.44Å; P98-I149 VanDerWaalsContact CG-CD1 3.44Å; P98-A180 HydrophobicContact CB-CB 4.01Å; P98-A180 HydrophobicContact CG-CB 3.92Å; P98-N187 HydrophobicContact CB-CB 3.88Å; P98-M188 HydrophobicContact CB-CB 4.34Å
99I94.9Very high93.1Very high0 Ų030.8 Ų30.80%016%0.155CC..Hα-helixtrans-85-44.1-178.5-71.9-179.3000111.6L59 I95 D96 R97 L102 F103 I113 L138 F145 I149L59-I99 HydrophobicContact CD2-CG2 3.98Å; I95-I99 HydrophobicContact CG2-CD1 3.66Å; I95-I99 WeakPolarHBondContact O-CD1 3.09Å; I95-I99 VanDerWaalsContact O-CG1 3.29Å; I95-I99 WeakPolarHBondContact O-CG1 3.45Å; D96-I99 PolarHBondContact O-N 3.32Å; R97-I99 VanDerWaalsContact C-N 3.31Å; I99-L102 PolarHBondContact O-N 3.45Å; I99-F103 HydrophobicContact CG2-CD2 4.41Å; I99-F103 HydrophobicContact CG2-CE2 3.66Å; I99-F103 WeakPolarHBondContact O-CD2 3.13Å; I99-I113 HydrophobicContact CD1-CD1 3.88Å; I99-I113 HydrophobicContact CG2-CD1 4.15Å; I99-L138 HydrophobicContact CD1-CD1 4.26Å; I99-L138 HydrophobicContact CG2-CD1 3.55Å; I99-F145 HydrophobicContact CB-CE2 4.44Å; I99-F145 HydrophobicContact CG1-CZ 4.49Å; I99-F145 HydrophobicContact CG2-CE2 3.94Å; I99-I149 HydrophobicContact CD1-CD1 4.26Å; I99-I149 HydrophobicContact CG1-CD1 3.45Å; I99-I149 VanDerWaalsContact CG1-CD1 3.45Å; I99-I149 HydrophobicContact CG1-CG1 4.26Å
100R94.1Very high93.3Very high82 Ų8233.1 Ų33.131%0.30917%0.167SC..G310 helixtrans-58-43.1-170.9179.2178.5-62.5-84.6-2.8114.6F57 L59 D96 L102 F103F57-R100 HydrophobicContact CD1-CG 4.24Å; F57-R100 PolarHBondContact O-NH1 2.81Å; L59-R100 HydrophobicContact CD2-CB 3.99Å; L59-R100 PolarHBondContact O-NH2 3.12Å; D96-R100 PolarHBondContact O-N 3.2Å; D96-R100 IonicContact OD1-CZ 3.47Å; D96-R100 IonicContact OD1-NE 2.85Å; D96-R100 PolarHBondContact OD1-NE 2.95Å; D96-R100 IonicContact OD1-NH2 3.41Å; D96-R100 PolarHBondContact OD1-NH2 2.86Å; D96-R100 VanDerWaalsContact OD1-NH2 3.09Å; D96-R100 IonicContact OD2-CZ 3.69Å; D96-R100 IonicContact OD2-NE 3.91Å; D96-R100 IonicContact OD2-NH2 3.41Å; D96-R100 PolarHBondContact OD2-NH2 3.22Å; R100-L102 PolarHBondContact O-N 3.26Å; R100-F103 PolarHBondContact O-N 3.41Å
101P91.3Very high93.5Very high27 Ų2731.8 Ų31.818%0.17516%0.16CC..G310 helixtrans-65.1-23-179.8-23.235.5000113.6R97 F103 I513R97-P101 WeakPolarHBondContact O-CD 3.46Å; P101-F103 PolarHBondContact O-N 3.49Å; P101-I513 WeakPolarHBondContact CG-O 3.49Å
102L92.9Very high93.6Very high5 Ų535.9 Ų35.93%0.02618%0.179CC..G310 helixtrans-87.316.2-176.3-54.4178.7000113.3I99 R100 F145 Q146 I149I99-L102 PolarHBondContact O-N 3.45Å; R100-L102 PolarHBondContact O-N 3.26Å; L102-F145 HydrophobicContact CB-CD2 4.1Å; L102-F145 HydrophobicContact CB-CE2 3.68Å; L102-F145 HydrophobicContact CD1-CE2 4.06Å; L102-F145 HydrophobicContact CD1-CZ 4.15Å; L102-F145 HydrophobicContact CG-CE2 4.48Å; L102-Q146 HydrophobicContact CB-CB 4.36Å; L102-Q146 VanDerWaalsContact O-CB 3.29Å; L102-Q146 WeakPolarHBondContact O-CB 3.5Å; L102-Q146 PolarHBondContact O-N 2.8Å; L102-I149 HydrophobicContact CD1-CG2 3.28Å
103F94.2Very high93.7Very high10 Ų1035.7 Ų35.74%0.04418%0.178CC..SBendtrans-98145.8168.4-81.7-97.8000110.1F57 I99 R100 P101 K105 Y107 V111 L138 I143 F145F57-F103 HydrophobicContact CD1-CB 4.19Å; F57-F103 HydrophobicContact CD1-CG 4.32Å; F57-F103 HydrophobicContact CE1-CB 3.71Å; F57-F103 AromaticContact CE1-CD1 3.84Å; F57-F103 HydrophobicContact CE1-CD1 3.84Å; F57-F103 AromaticContact CE1-CD2 3.47Å; F57-F103 HydrophobicContact CE1-CD2 3.47Å; F57-F103 VanDerWaalsContact CE1-CD2 3.47Å; F57-F103 HydrophobicContact CE1-CE1 4.29Å; F57-F103 AromaticContact CE1-CE2 3.97Å; F57-F103 HydrophobicContact CE1-CE2 3.97Å; F57-F103 AromaticContact CE1-CG 3.38Å; F57-F103 HydrophobicContact CE1-CG 3.38Å; F57-F103 HydrophobicContact CE1-CZ 4.35Å; F57-F103 HydrophobicContact CE2-CD1 4.18Å; F57-F103 HydrophobicContact CE2-CE1 4.46Å; F57-F103 HydrophobicContact CE2-CG 4.49Å; F57-F103 HydrophobicContact CZ-CB 4.12Å; F57-F103 AromaticContact CZ-CD1 3.41Å; F57-F103 HydrophobicContact CZ-CD1 3.41Å; F57-F103 VanDerWaalsContact CZ-CD1 3.41Å; F57-F103 AromaticContact CZ-CD2 3.82Å; F57-F103 HydrophobicContact CZ-CD2 3.82Å; F57-F103 AromaticContact CZ-CE1 3.61Å; F57-F103 HydrophobicContact CZ-CE1 3.61Å; F57-F103 HydrophobicContact CZ-CE2 4.01Å; F57-F103 AromaticContact CZ-CG 3.5Å; F57-F103 HydrophobicContact CZ-CG 3.5Å; F57-F103 VanDerWaalsContact CZ-CG 3.5Å; F57-F103 AromaticContact CZ-CZ 3.91Å; F57-F103 HydrophobicContact CZ-CZ 3.91Å; I99-F103 HydrophobicContact CG2-CD2 4.41Å; I99-F103 HydrophobicContact CG2-CE2 3.66Å; I99-F103 WeakPolarHBondContact O-CD2 3.13Å; R100-F103 PolarHBondContact O-N 3.41Å; P101-F103 PolarHBondContact O-N 3.49Å; F103-K105 PolarHBondContact O-N 2.88Å; F103-Y107 AromaticContact CD1-CD1 3.78Å; F103-Y107 HydrophobicContact CD1-CD1 3.78Å; F103-Y107 HydrophobicContact CD1-CE1 4.07Å; F103-Y107 HydrophobicContact CE1-CD1 4.34Å; F103-Y107 HydrophobicContact CE1-CE1 4.2Å; F103-V111 HydrophobicContact CE1-CG1 4.46Å; F103-V111 HydrophobicContact CE1-CG2 4.05Å; F103-V111 HydrophobicContact CZ-CG1 4.12Å; F103-V111 HydrophobicContact CZ-CG2 4.49Å; F103-L138 HydrophobicContact CE2-CD1 4.13Å; F103-L138 HydrophobicContact CZ-CD1 4.07Å; F103-L138 HydrophobicContact CZ-CD2 3.84Å; F103-I143 HydrophobicContact CE1-CG2 3.56Å; F103-I143 HydrophobicContact CZ-CG2 4.19Å; F103-F145 HydrophobicContact CD2-CD2 4.07Å; F103-F145 AromaticContact CE2-CD2 3.69Å; F103-F145 HydrophobicContact CE2-CD2 3.69Å; F103-F145 HydrophobicContact CE2-CE2 4.3Å; F103-F145 HydrophobicContact CZ-CB 4.35Å; F103-F145 HydrophobicContact CZ-CD2 4.17Å
104P91.5Very high93.9Very high22 Ų2235.8 Ų35.814%0.14318%0.181CC..PPolyproline II helixtrans-53.2135.8175.8-25.831.7000111.6G106 Y107 P144 F233P104-G106 PolarHBondContact O-N 2.7Å; P104-Y107 VanDerWaalsContact O-CB 3.23Å; P104-Y107 WeakPolarHBondContact O-CB 3.29Å; P104-Y107 PolarHBondContact O-N 2.7Å; P104-P144 WeakPolarHBondContact CD-O 3.39Å; P104-P144 HydrophobicContact CG-CB 4.15Å; P104-P144 HydrophobicContact CG-CG 4.38Å; P104-F233 HydrophobicContact CB-CD1 3.33Å; P104-F233 HydrophobicContact CB-CE1 3.67Å; P104-F233 HydrophobicContact CB-CG 4.12Å; P104-F233 HydrophobicContact CG-CB 4.46Å; P104-F233 HydrophobicContact CG-CD1 4.07Å; P104-F233 HydrophobicContact CG-CG 4.47Å
105K86.6Confident94.1Very high197 Ų19735.7 Ų35.786%0.85718%0.181SC*.THydrogen-bonded Turntrans-57.4131.8175.9-68.1-179.1-179.6173.70109.9F103 Y107 F233F103-K105 PolarHBondContact O-N 2.88Å; K105-Y107 VanDerWaalsContact C-N 3.33Å; K105-F233 VanDerWaalsContact O-CE1 3.28Å; K105-F233 WeakPolarHBondContact O-CE1 3.39Å
106G87.6Confident94.2Very high57 Ų5738.3 Ų38.359%0.58819%0.194SC*.THydrogen-bonded Turntrans81.44.4-17800000115.1P104 K108P104-G106 PolarHBondContact O-N 2.7Å; G106-K108 WeakPolarHBondContact O-CG 3.31Å; G106-K108 PolarHBondContact O-N 2.59Å
107Y91.8Very high94.3Very high3 Ų337 Ų371%0.01219%0.187CC..  trans-66.3120172.5-169.6-113.6000110.5F57 F103 P104 K105 H109 V111 P144 F233F57-Y107 HydrophobicContact CD2-CD1 4Å; F57-Y107 WeakPolarHBondContact CD2-O 3.2Å; F57-Y107 AromaticContact CE2-CD1 3.48Å; F57-Y107 HydrophobicContact CE2-CD1 3.48Å; F57-Y107 VanDerWaalsContact CE2-CD1 3.48Å; F57-Y107 HydrophobicContact CE2-CE1 4.02Å; F57-Y107 HydrophobicContact CZ-CD1 4.1Å; F103-Y107 AromaticContact CD1-CD1 3.78Å; F103-Y107 HydrophobicContact CD1-CD1 3.78Å; F103-Y107 HydrophobicContact CD1-CE1 4.07Å; F103-Y107 HydrophobicContact CE1-CD1 4.34Å; F103-Y107 HydrophobicContact CE1-CE1 4.2Å; P104-Y107 VanDerWaalsContact O-CB 3.23Å; P104-Y107 WeakPolarHBondContact O-CB 3.29Å; P104-Y107 PolarHBondContact O-N 2.7Å; K105-Y107 VanDerWaalsContact C-N 3.33Å; Y107-H109 AromaticContact CD2-CD2 3.99Å; Y107-H109 HydrophobicContact CE1-CB 3.84Å; Y107-H109 HydrophobicContact CE2-CB 4.19Å; Y107-H109 AromaticContact CE2-CD2 3.42Å; Y107-H109 VanDerWaalsContact CE2-CD2 3.42Å; Y107-H109 WeakPolarHBondContact CE2-CD2 3.49Å; Y107-H109 AromaticContact CE2-CG 3.96Å; Y107-H109 AromaticContact CZ-CD2 3.77Å; Y107-H109 AromaticContact CZ-CG 3.82Å; Y107-V111 HydrophobicContact CE1-CG2 3.72Å; Y107-P144 HydrophobicContact CD2-CG 4.07Å; Y107-P144 HydrophobicContact CE1-CG 4.42Å; Y107-P144 HydrophobicContact CE2-CG 3.63Å; Y107-F233 AromaticContact CD2-CD2 3.66Å; Y107-F233 HydrophobicContact CD2-CD2 3.66Å; Y107-F233 AromaticContact CD2-CE2 4Å; Y107-F233 HydrophobicContact CD2-CE2 4Å; Y107-F233 HydrophobicContact CD2-CG 4.18Å; Y107-F233 HydrophobicContact CE2-CD2 4.37Å
108K91.5Very high94.6Very high75 Ų7538.6 Ų38.633%0.32620%0.197SC..  trans-11913.3-172.4-70.2-172.7-174.5-167.10114.7P51 R52 G54 G106P51-K108 HydrophobicContact CB-CB 4.07Å; R52-K108 PolarHBondContact N-O 2.98Å; G54-K108 VanDerWaalsContact O-CE 3.26Å; G54-K108 WeakPolarHBondContact O-CE 3.31Å; G54-K108 PolarHBondContact O-NZ 3.09Å; G106-K108 WeakPolarHBondContact O-CG 3.31Å; G106-K108 PolarHBondContact O-N 2.59Å
109H94.7Very high94.8Very high20 Ų2040.5 Ų40.59%0.09321%0.21CC..EExtended strand (participates in β ladder)trans-74.5140.4172.3-67.2-109.8000110S48 K49 Y107 V111S48-H109 PolarHBondContact O-ND1 2.89Å; S48-H109 WeakPolarHBondContact OG-CA 3.11Å; K49-H109 PolarHBondContact O-CE1 3.01Å; Y107-H109 AromaticContact CD2-CD2 3.99Å; Y107-H109 HydrophobicContact CE1-CB 3.84Å; Y107-H109 HydrophobicContact CE2-CB 4.19Å; Y107-H109 AromaticContact CE2-CD2 3.42Å; Y107-H109 VanDerWaalsContact CE2-CD2 3.42Å; Y107-H109 WeakPolarHBondContact CE2-CD2 3.49Å; Y107-H109 AromaticContact CE2-CG 3.96Å; Y107-H109 AromaticContact CZ-CD2 3.77Å; Y107-H109 AromaticContact CZ-CG 3.82Å; H109-V111 PolarHBondContact O-N 2.91Å; H109-V111 VanDerWaalsContact O-N 3.16Å
110D96.1Very high94.8Very high61 Ų6141.5 Ų41.533%0.32622%0.219SC..EExtended strand (participates in β ladder)trans-63.5116.9171-67.2-71.7000108.1A47 S48 R52 P58A47-D110 CarbonylContact C-O 3.58Å; A47-D110 WeakPolarHBondContact CA-O 3.24Å; S48-D110 PolarHBondContact N-O 3.02Å; S48-D110 PolarHBondContact OG-N 2.86Å; R52-D110 WeakPolarHBondContact CD-OD1 3.34Å; R52-D110 IonicContact NH1-OD1 3.58Å; R52-D110 PolarHBondContact NH1-OD1 3.32Å; P58-D110 WeakPolarHBondContact CB-OD1 3.44Å
111V98.1Very high94.8Very high1 Ų139.4 Ų39.41%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-110.1127.1174.51770000108.4T46 A47 F57 P58 L59 T60 F103 Y107 H109 L138 I143T46-V111 CarbonylContact O-C 3.56Å; T46-V111 WeakPolarHBondContact O-CA 3.29Å; A47-V111 HydrophobicContact CB-CG2 4.35Å; F57-V111 HydrophobicContact CE2-CB 4.19Å; F57-V111 HydrophobicContact CE2-CG2 3.79Å; F57-V111 HydrophobicContact CZ-CB 4.06Å; F57-V111 HydrophobicContact CZ-CG2 3.89Å; P58-V111 PolarHBondContact O-N 2.87Å; L59-V111 CarbonylContact C-O 3.58Å; L59-V111 WeakPolarHBondContact CA-O 3.48Å; L59-V111 HydrophobicContact CD1-CB 3.97Å; L59-V111 HydrophobicContact CD1-CG1 3.65Å; T60-V111 PolarHBondContact N-O 2.84Å; F103-V111 HydrophobicContact CE1-CG1 4.46Å; F103-V111 HydrophobicContact CE1-CG2 4.05Å; F103-V111 HydrophobicContact CZ-CG1 4.12Å; F103-V111 HydrophobicContact CZ-CG2 4.49Å; Y107-V111 HydrophobicContact CE1-CG2 3.72Å; H109-V111 PolarHBondContact O-N 2.91Å; H109-V111 VanDerWaalsContact O-N 3.16Å; V111-L138 HydrophobicContact CG1-CD2 4.26Å; V111-I143 HydrophobicContact CG1-CD1 4.45Å; V111-I143 HydrophobicContact CG2-CG2 4.3Å
112Q98.3Very high94.7Very high86 Ų8642.2 Ų42.240%0.40223%0.232SC..EExtended strand (participates in β ladder)trans-122125.6175.6-178.8173.178.400110.7A45 T46 T60A45-Q112 WeakPolarHBondContact CA-O 3.41Å; T46-Q112 PolarHBondContact N-O 3.22Å; T46-Q112 PolarHBondContact O-N 3.33Å; T46-Q112 PolarHBondContact OG1-O 3.29Å; T60-Q112 WeakPolarHBondContact O-CA 3.17Å
113I98.7Very high94.8Very high0 Ų044.9 Ų44.90%025%0.246CC..EExtended strand (participates in β ladder)trans-107.9128.2171-53177.6000108.2T44 L59 T60 V61 N62 I99 S134 L138T44-I113 CarbonylContact O-C 3.55Å; T44-I113 VanDerWaalsContact O-CA 3.29Å; T44-I113 WeakPolarHBondContact O-CA 3.27Å; L59-I113 HydrophobicContact CD1-CD1 4.03Å; L59-I113 HydrophobicContact CD1-CG1 4.14Å; T60-I113 PolarHBondContact O-N 3.05Å; V61-I113 HydrophobicContact CG1-CB 4.41Å; V61-I113 HydrophobicContact CG2-CB 4.33Å; V61-I113 HydrophobicContact CG2-CD1 4.08Å; N62-I113 PolarHBondContact N-O 2.97Å; I99-I113 HydrophobicContact CD1-CD1 3.88Å; I99-I113 HydrophobicContact CG2-CD1 4.15Å; I113-S134 WeakPolarHBondContact CG2-OG 3.39Å; I113-L138 HydrophobicContact CD1-CD1 3.62Å; I113-L138 HydrophobicContact CD1-CD2 4.4Å; I113-L138 HydrophobicContact CD1-CG 4.03Å
114M98.4Very high94.9Very high53 Ų5344.5 Ų44.526%0.26124%0.244SC..EExtended strand (participates in β ladder)trans-120.3119.4177-175.862.469.200109.3S43 T44 N62 E64S43-M114 CarbonylContact C-O 3.54Å; S43-M114 VanDerWaalsContact CA-O 3.32Å; S43-M114 WeakPolarHBondContact CA-O 3.4Å; T44-M114 PolarHBondContact N-O 2.91Å; T44-M114 PolarHBondContact O-N 3.23Å; N62-M114 HydrophobicContact CB-CE 3.83Å; N62-M114 HydrophobicContact CB-SD 3.69Å; E64-M114 HydrophobicContact CG-SD 3.5Å; E64-M114 VanDerWaalsContact CG-SD 3.5Å
115N98.6Very high95Very high0 Ų044.2 Ų44.20%024%0.243CC..EExtended strand (participates in β ladder)trans-109.5112.8173.9-63-73.7000109V41 S43 N62 Y63 E64 A130 S134V41-N115 HydrophobicContact CG1-CB 4.24Å; S43-N115 VanDerWaalsContact CB-OD1 3.3Å; S43-N115 WeakPolarHBondContact CB-OD1 3.24Å; S43-N115 PolarHBondContact OG-OD1 3.45Å; N62-N115 WeakPolarHBondContact O-CB 3.44Å; N62-N115 PolarHBondContact O-N 2.97Å; N62-N115 PolarHBondContact O-ND2 3.49Å; Y63-N115 WeakPolarHBondContact CA-O 3.21Å; Y63-N115 HydrophobicContact CD2-CB 3.95Å; E64-N115 PolarHBondContact N-O 3.07Å; N115-A130 HydrophobicContact CB-CB 3.82Å; N115-A130 PolarHBondContact OD1-O 3.33Å; N115-A130 VanDerWaalsContact OD1-O 3.1Å; N115-S134 VanDerWaalsContact CG-OG 3.27Å; N115-S134 PolarHBondContact ND2-OG 3.27Å; N115-S134 PolarHBondContact OD1-OG 3.06Å
116M98Very high95.5Very high54 Ų5435.9 Ų35.927%0.26621%0.209SC..EExtended strand (participates in β ladder)trans-109.6116179.1178171.639.800109.6V41 L42 K66 L118V41-M116 WeakPolarHBondContact CA-O 3.28Å; L42-M116 HydrophobicContact CB-CE 4.41Å; L42-M116 HydrophobicContact CD2-CE 3.68Å; L42-M116 PolarHBondContact N-O 2.93Å; L42-M116 PolarHBondContact O-N 3.02Å; K66-M116 HydrophobicContact CG-CG 4.19Å; M116-L118 HydrophobicContact CE-CD2 4.15Å; M116-L118 HydrophobicContact CG-CD2 3.73Å; M116-L118 HydrophobicContact CG-CG 4.44Å; M116-L118 PolarHBondContact O-N 3.37Å; M116-L118 HydrophobicContact SD-CD2 3.92Å
117V97.7Very high95.8Very high0 Ų034.3 Ų34.30%019%0.186CC..EExtended strand (participates in β ladder)trans-77.3119.6176.8-168.90000108.5V41 Y63 E64 K66 A69 A120 P126 L372V41-V117 HydrophobicContact CG2-CG2 4.44Å; Y63-V117 HydrophobicContact CD2-CG2 4.45Å; Y63-V117 HydrophobicContact CE1-CG2 4.15Å; Y63-V117 HydrophobicContact CE2-CG2 3.64Å; Y63-V117 VanDerWaalsContact CZ-CG2 3.5Å; E64-V117 PolarHBondContact O-N 2.57Å; E64-V117 VanDerWaalsContact O-N 3.1Å; K66-V117 WeakPolarHBondContact CB-O 3.25Å; A69-V117 HydrophobicContact CB-CG1 4Å; V117-A120 HydrophobicContact CG1-CB 4.41Å; V117-P126 HydrophobicContact CG1-CB 3.83Å; V117-P126 HydrophobicContact CG1-CG 4.36Å; V117-P126 HydrophobicContact CG2-CB 4.14Å; V117-L372 HydrophobicContact CB-CD1 3.92Å; V117-L372 HydrophobicContact CG1-CD1 3.7Å; V117-L372 HydrophobicContact CG2-CD1 4.08Å
118L97.5Very high96.1Very high57 Ų5734.2 Ų34.230%0.29819%0.186SC..EExtended strand (participates in β ladder)trans-105.5-27.6-175.1-63-179.9000113.2L33 V40 L42 Y68 M116L33-L118 HydrophobicContact CD1-CD1 3.94Å; V40-L118 HydrophobicContact CB-CB 4.36Å; V40-L118 HydrophobicContact CG1-CB 4.28Å; V40-L118 HydrophobicContact CG1-CD1 4.48Å; V40-L118 PolarHBondContact O-N 2.98Å; L42-L118 HydrophobicContact CB-CD1 3.94Å; Y68-L118 HydrophobicContact CE2-CD2 4.15Å; Y68-L118 WeakPolarHBondContact OH-CD2 3.36Å; M116-L118 HydrophobicContact CE-CD2 4.15Å; M116-L118 HydrophobicContact CG-CD2 3.73Å; M116-L118 HydrophobicContact CG-CG 4.44Å; M116-L118 PolarHBondContact O-N 3.37Å; M116-L118 HydrophobicContact SD-CD2 3.92Å
119S97.8Very high96.4Very high41 Ų4130.6 Ų30.629%0.28717%0.171SC..EExtended strand (participates in β ladder)trans-149139.7175.3-174.50000107.3D38 T39 V40D38-S119 VanDerWaalsContact O-CB 3.27Å; D38-S119 WeakPolarHBondContact O-CB 3.2Å; D38-S119 PolarHBondContact O-OG 2.95Å; T39-S119 CarbonylContact C-O 3.58Å; T39-S119 WeakPolarHBondContact CA-O 3.5Å; V40-S119 PolarHBondContact N-O 2.88Å; V40-S119 PolarHBondContact O-N 2.73Å
120A95.2Very high96.5Very high21 Ų2129.7 Ų29.717%0.17417%0.166CC..  trans-126.4118.5179.800000109.8A69 V117 P126 L372A69-A120 HydrophobicContact CB-CB 4.35Å; A69-A120 PolarHBondContact O-N 3Å; V117-A120 HydrophobicContact CG1-CB 4.41Å; A120-P126 HydrophobicContact CB-CG 4.16Å; A120-L372 HydrophobicContact CB-CB 4.26Å; A120-L372 HydrophobicContact CB-CD1 4.4Å
121D94.3Very high96.6Very high37 Ų3726.8 Ų26.820%0.19815%0.151CC..BIsolated β-bridgetrans-99.3120.5167.1172-1000107.7D38 T39 D123 C124D38-D121 HydrophobicContact CB-CB 4.04Å; T39-D121 PolarHBondContact OG1-N 3.49Å; T39-D121 PolarHBondContact OG1-O 2.78Å; D121-D123 PolarHBondContact O-N 2.96Å; D121-D123 VanDerWaalsContact O-N 3.15Å; D121-D123 PolarHBondContact OD1-N 3.36Å; D121-D123 VanDerWaalsContact OD1-N 3.11Å; D121-C124 HydrophobicContact CB-CB 4.02Å; D121-C124 CarbonylContact O-C 3.54Å; D121-C124 PolarHBondContact O-N 2.87Å; D121-C124 VanDerWaalsContact O-O 3.12Å; D121-C124 PolarHBondContact OD2-SG 2.71Å
122P90.1Very high96.7Very high87 Ų8726.8 Ų26.857%0.56515%0.151SC*.THydrogen-bonded Turntrans-54.7-30.7-177.5-27.135.1000114.7V167P122-V167 HydrophobicContact CB-CG2 3.78Å
123D94.2Very high96.7Very high61 Ų6122.7 Ų22.733%0.32613%0.131SC..THydrogen-bonded Turntrans-89.7-6-179.6-70.9-34.1000113.3R15 D121 T166 V167R15-D123 VanDerWaalsContact CZ-O 3.26Å; R15-D123 PolarHBondContact NH1-O 2.99Å; R15-D123 VanDerWaalsContact NH1-O 3.13Å; D121-D123 PolarHBondContact O-N 2.96Å; D121-D123 VanDerWaalsContact O-N 3.15Å; D121-D123 PolarHBondContact OD1-N 3.36Å; D121-D123 VanDerWaalsContact OD1-N 3.11Å; D123-T166 HydrophobicContact CB-CG2 4.35Å; D123-T166 WeakPolarHBondContact OD1-CA 3.46Å; D123-T166 WeakPolarHBondContact OD1-CB 3.36Å; D123-V167 PolarHBondContact OD1-N 3.3Å
124C95.8Very high96.7Very high1 Ų122.7 Ų22.71%0.00713%0.131CC..BIsolated β-bridgetrans-120.892.8179.3-63.40000110.5R15 Y36 T39 D121 P126R15-C124 WeakPolarHBondContact CD-SG 3.44Å; Y36-C124 HydrophobicContact CD1-CB 3.58Å; Y36-C124 HydrophobicContact CE1-CB 3.89Å; Y36-C124 HydrophobicContact CG-CB 4.02Å; Y36-C124 WeakPolarHBondContact O-CB 3.12Å; T39-C124 VanDerWaalsContact CB-O 3.24Å; T39-C124 WeakPolarHBondContact CB-O 3.47Å; T39-C124 PolarHBondContact OG1-O 2.8Å; D121-C124 HydrophobicContact CB-CB 4.02Å; D121-C124 CarbonylContact O-C 3.54Å; D121-C124 PolarHBondContact O-N 2.87Å; D121-C124 VanDerWaalsContact O-O 3.12Å; D121-C124 PolarHBondContact OD2-SG 2.71Å; C124-P126 VanDerWaalsContact O-CD 3.29Å; C124-P126 WeakPolarHBondContact O-CD 3.26Å; C124-P126 VanDerWaalsContact O-N 3.16Å
125S94.1Very high96.7Very high17 Ų1720.1 Ų20.112%0.11912%0.119CC..  trans-47.9116.3-174.4175.20000114.4Q127 M128 A129S125-Q127 VanDerWaalsContact C-N 3.31Å; S125-Q127 PolarHBondContact O-N 2.96Å; S125-Q127 PolarHBondContact OG-N 3.25Å; S125-M128 PolarHBondContact O-N 3.22Å; S125-M128 PolarHBondContact OG-N 2.75Å; S125-A129 PolarHBondContact O-N 3.43Å; S125-A129 VanDerWaalsContact O-N 3.1Å
126P96.3Very high96.7Very high22 Ų2220.1 Ų20.114%0.14312%0.119CC..Hα-helixtrans-69.2-27.9173.9-15.529.2000113.3T39 V41 Y63 V117 A120 C124 A129 A130T39-P126 HydrophobicContact CG2-CB 3.73Å; T39-P126 HydrophobicContact CG2-CG 3.83Å; V41-P126 HydrophobicContact CG2-CB 4.34Å; Y63-P126 WeakPolarHBondContact OH-CB 2.96Å; V117-P126 HydrophobicContact CG1-CB 3.83Å; V117-P126 HydrophobicContact CG1-CG 4.36Å; V117-P126 HydrophobicContact CG2-CB 4.14Å; A120-P126 HydrophobicContact CB-CG 4.16Å; C124-P126 VanDerWaalsContact O-CD 3.29Å; C124-P126 WeakPolarHBondContact O-CD 3.26Å; C124-P126 VanDerWaalsContact O-N 3.16Å; P126-A129 PolarHBondContact O-N 3.28Å; P126-A130 WeakPolarHBondContact O-CB 3.33Å; P126-A130 PolarHBondContact O-N 2.64Å
127Q95.7Very high96.7Very high23 Ų2317.6 Ų17.611%0.10711%0.106CC..Hα-helixtrans-61.9-48.4172.5171.9-171.517.200111.6Y63 T91 L94 S125 A130 M131 E178Y63-Q127 PolarHBondContact OH-N 2.84Å; T91-Q127 HydrophobicContact CG2-CB 3.95Å; T91-Q127 HydrophobicContact CG2-CG 3.67Å; T91-Q127 WeakPolarHBondContact OG1-CG 3.34Å; L94-Q127 HydrophobicContact CD2-CG 4.03Å; S125-Q127 VanDerWaalsContact C-N 3.31Å; S125-Q127 PolarHBondContact O-N 2.96Å; S125-Q127 PolarHBondContact OG-N 3.25Å; Q127-A130 WeakPolarHBondContact O-CB 3.48Å; Q127-A130 PolarHBondContact O-N 3.05Å; Q127-M131 PolarHBondContact O-N 3.27Å; Q127-E178 VanDerWaalsContact CD-OE1 3.25Å; Q127-E178 VanDerWaalsContact NE2-CD 3.29Å; Q127-E178 PolarHBondContact NE2-OE1 2.85Å; Q127-E178 PolarHBondContact NE2-OE2 3.2Å; Q127-E178 PolarHBondContact OE1-OE1 3.34Å; Q127-E178 VanDerWaalsContact OE1-OE1 3.05Å
128M96.4Very high96.8Very high1 Ų117.6 Ų17.61%0.00511%0.106CC..Hα-helixtrans-68.4-40178.1-64.9-63.3139.700111.2W12 L94 S125 A130 M131 I132 N153 E178W12-M128 HydrophobicContact CH2-CB 3.45Å; W12-M128 VanDerWaalsContact CH2-CB 3.45Å; W12-M128 HydrophobicContact CZ2-CB 3.84Å; W12-M128 HydrophobicContact CZ3-CB 4.39Å; L94-M128 HydrophobicContact CD2-CE 3.62Å; S125-M128 PolarHBondContact O-N 3.22Å; S125-M128 PolarHBondContact OG-N 2.75Å; M128-A130 VanDerWaalsContact C-N 3.31Å; M128-A130 PolarHBondContact O-N 3.15Å; M128-M131 WeakPolarHBondContact O-CB 3.22Å; M128-M131 PolarHBondContact O-N 3.31Å; M128-I132 PolarHBondContact O-N 3Å; M128-I132 VanDerWaalsContact O-N 3.13Å; M128-N153 WeakPolarHBondContact CE-OD1 3.48Å; M128-N153 WeakPolarHBondContact CG-OD1 3.2Å; M128-E178 HydrophobicContact CE-CB 4.17Å; M128-E178 HydrophobicContact CE-CG 3.8Å
129A97.9Very high96.8Very high0 Ų015.1 Ų15.10%09%0.094CC..Hα-helixtrans-60.7-38.9172.600000112.4V34 T39 V41 S125 P126 G133V34-A129 HydrophobicContact CG1-CB 4.12Å; T39-A129 HydrophobicContact CG2-CB 4.11Å; V41-A129 HydrophobicContact CG2-CB 3.93Å; S125-A129 PolarHBondContact O-N 3.43Å; S125-A129 VanDerWaalsContact O-N 3.1Å; P126-A129 PolarHBondContact O-N 3.28Å; A129-G133 PolarHBondContact O-N 3.49Å
130A98.4Very high96.7Very high0 Ų013.4 Ų13.40%08%0.082CC..Hα-helixtrans-67.2-34.4174.700000112.8V41 Y63 I95 N115 P126 Q127 M128 G133 S134V41-A130 HydrophobicContact CG1-CB 4Å; Y63-A130 HydrophobicContact CD2-CB 3.74Å; Y63-A130 HydrophobicContact CE2-CB 3.64Å; I95-A130 HydrophobicContact CD1-CB 3.72Å; N115-A130 HydrophobicContact CB-CB 3.82Å; N115-A130 PolarHBondContact OD1-O 3.33Å; N115-A130 VanDerWaalsContact OD1-O 3.1Å; P126-A130 WeakPolarHBondContact O-CB 3.33Å; P126-A130 PolarHBondContact O-N 2.64Å; Q127-A130 WeakPolarHBondContact O-CB 3.48Å; Q127-A130 PolarHBondContact O-N 3.05Å; M128-A130 VanDerWaalsContact C-N 3.31Å; M128-A130 PolarHBondContact O-N 3.15Å; A130-G133 PolarHBondContact O-N 2.91Å; A130-S134 VanDerWaalsContact O-CB 3.32Å; A130-S134 WeakPolarHBondContact O-CB 3.31Å; A130-S134 PolarHBondContact O-N 2.75Å; A130-S134 PolarHBondContact O-OG 3.2Å
131M98.3Very high96.9Very high0 Ų012.5 Ų12.50%07%0.074CC..Hα-helixtrans-64.1-51.6174.9-170.8179.4-70.900111.6L94 I95 P98 Q127 M128 G133 S134 S135 I149 G151 A180 M188L94-M131 HydrophobicContact CD2-CE 3.55Å; L94-M131 HydrophobicContact CG-CE 3.83Å; I95-M131 HydrophobicContact CG1-CB 4.04Å; I95-M131 HydrophobicContact CG1-CE 4.39Å; I95-M131 HydrophobicContact CG1-CG 4.4Å; P98-M131 HydrophobicContact CG-CE 4.5Å; Q127-M131 PolarHBondContact O-N 3.27Å; M128-M131 WeakPolarHBondContact O-CB 3.22Å; M128-M131 PolarHBondContact O-N 3.31Å; M131-G133 VanDerWaalsContact C-N 3.27Å; M131-G133 PolarHBondContact O-N 3.33Å; M131-S134 PolarHBondContact O-N 2.95Å; M131-S135 PolarHBondContact O-N 3.04Å; M131-I149 HydrophobicContact CG-CD1 4.19Å; M131-G151 VanDerWaalsContact SD-CA 3.55Å; M131-A180 HydrophobicContact CE-CB 3.93Å; M131-A180 HydrophobicContact SD-CB 3.46Å; M131-A180 WeakPolarHBondContact SD-CB 3.29Å; M131-M188 HydrophobicContact CE-CE 4.07Å
132I98.2Very high97Very high1 Ų113.6 Ų13.61%0.0058%0.08CC..Hα-helixtrans-59.8-41.4173.9-68.4-173.8000110.5W12 L17 I19 M128 S134 S135 M136 A150 L215W12-I132 HydrophobicContact CD2-CD1 4.3Å; W12-I132 HydrophobicContact CE3-CD1 3.89Å; W12-I132 HydrophobicContact CH2-CD1 3.35Å; W12-I132 HydrophobicContact CH2-CG1 3.95Å; W12-I132 HydrophobicContact CZ2-CD1 3.9Å; W12-I132 HydrophobicContact CZ3-CD1 3.4Å; W12-I132 HydrophobicContact CZ3-CG1 4.26Å; L17-I132 HydrophobicContact CD2-CD1 4.1Å; I19-I132 HydrophobicContact CD1-CG2 3.74Å; M128-I132 PolarHBondContact O-N 3Å; M128-I132 VanDerWaalsContact O-N 3.13Å; I132-S134 PolarHBondContact O-N 2.8Å; I132-S135 PolarHBondContact O-N 3.32Å; I132-M136 HydrophobicContact CG2-CG 4.41Å; I132-M136 WeakPolarHBondContact O-CB 3.31Å; I132-M136 PolarHBondContact O-N 3.47Å; I132-A150 HydrophobicContact CG1-CB 4.39Å; I132-L215 HydrophobicContact CD1-CD1 4.24Å; I132-L215 HydrophobicContact CD1-CD2 4.31Å
133G98.6Very high97.3Very high0 Ų09.5 Ų9.50%05%0.053CC..Hα-helixtrans-62.7-40.2178.200000113.1V32 S43 A129 A130 M131 M136 A137V32-G133 VanDerWaalsContact CG2-O 3.26Å; V32-G133 WeakPolarHBondContact CG2-O 3.35Å; S43-G133 VanDerWaalsContact CB-O 3.23Å; S43-G133 WeakPolarHBondContact CB-O 3.19Å; S43-G133 WeakPolarHBondContact OG-CA 3.4Å; A129-G133 PolarHBondContact O-N 3.49Å; A130-G133 PolarHBondContact O-N 2.91Å; M131-G133 VanDerWaalsContact C-N 3.27Å; M131-G133 PolarHBondContact O-N 3.33Å; G133-M136 PolarHBondContact O-N 3.47Å; G133-A137 WeakPolarHBondContact O-CB 3.35Å; G133-A137 PolarHBondContact O-N 2.97Å
134S98.8Very high97.4Very high0 Ų07.2 Ų7.20%04%0.042CC..Hα-helixtrans-65.2-48.1176.2-630000111.6I95 I113 N115 A130 M131 I132 M136 A137 L138I95-S134 WeakPolarHBondContact CG2-OG 3.35Å; I113-S134 WeakPolarHBondContact CG2-OG 3.39Å; N115-S134 VanDerWaalsContact CG-OG 3.27Å; N115-S134 PolarHBondContact ND2-OG 3.27Å; N115-S134 PolarHBondContact OD1-OG 3.06Å; A130-S134 VanDerWaalsContact O-CB 3.32Å; A130-S134 WeakPolarHBondContact O-CB 3.31Å; A130-S134 PolarHBondContact O-N 2.75Å; A130-S134 PolarHBondContact O-OG 3.2Å; M131-S134 PolarHBondContact O-N 2.95Å; I132-S134 PolarHBondContact O-N 2.8Å; S134-M136 PolarHBondContact O-N 2.86Å; S134-A137 PolarHBondContact O-N 2.96Å; S134-L138 PolarHBondContact O-N 3.24Å; S134-L138 VanDerWaalsContact O-N 3.1Å
135S98.6Very high97.4Very high0 Ų07.8 Ų7.80%04%0.044CC..Hα-helixtrans-54-53.5173173.30000110.8M131 I132 A137 L138 S139 P148 I149 Q219M131-S135 PolarHBondContact O-N 3.04Å; I132-S135 PolarHBondContact O-N 3.32Å; S135-A137 PolarHBondContact O-N 2.67Å; S135-L138 PolarHBondContact O-N 3Å; S135-S139 WeakPolarHBondContact O-CB 3.27Å; S135-S139 PolarHBondContact O-N 2.93Å; S135-S139 PolarHBondContact O-OG 3.3Å; S135-P148 WeakPolarHBondContact OG-CA 3.44Å; S135-P148 VanDerWaalsContact OG-CB 3.27Å; S135-P148 WeakPolarHBondContact OG-CB 3.41Å; S135-I149 WeakPolarHBondContact CB-O 3.36Å; S135-I149 PolarHBondContact OG-N 3.4Å; S135-I149 PolarHBondContact OG-O 3.07Å; S135-I149 VanDerWaalsContact OG-O 3.05Å; S135-Q219 VanDerWaalsContact CB-OE1 3.32Å; S135-Q219 PolarHBondContact OG-OE1 2.86Å
136M98.6Very high97.4Very high0 Ų012.8 Ų12.80%07%0.066CC..Hα-helixtrans-67-38.8-178.2-80-55.3-62.200113.6I19 V32 I132 G133 S134 L138 S139 V140 Q219 I222I19-M136 HydrophobicContact CD1-CG 3.94Å; I19-M136 HydrophobicContact CG2-CG 4.46Å; V32-M136 HydrophobicContact CG1-CB 3.98Å; V32-M136 HydrophobicContact CG2-CB 3.94Å; I132-M136 HydrophobicContact CG2-CG 4.41Å; I132-M136 WeakPolarHBondContact O-CB 3.31Å; I132-M136 PolarHBondContact O-N 3.47Å; G133-M136 PolarHBondContact O-N 3.47Å; S134-M136 PolarHBondContact O-N 2.86Å; M136-L138 VanDerWaalsContact C-N 3.31Å; M136-L138 PolarHBondContact O-N 2.85Å; M136-S139 PolarHBondContact O-N 2.95Å; M136-V140 HydrophobicContact CE-CG1 3.72Å; M136-V140 WeakPolarHBondContact O-CG1 3.3Å; M136-V140 VanDerWaalsContact O-CG2 3.3Å; M136-V140 WeakPolarHBondContact O-CG2 3.44Å; M136-V140 PolarHBondContact O-N 3.19Å; M136-Q219 HydrophobicContact CG-CB 4.48Å; M136-Q219 HydrophobicContact CG-CG 3.81Å; M136-Q219 HydrophobicContact SD-CB 3.48Å; M136-Q219 WeakPolarHBondContact SD-CB 3.45Å; M136-Q219 HydrophobicContact SD-CG 3.46Å; M136-Q219 WeakPolarHBondContact SD-CG 3.4Å; M136-I222 HydrophobicContact CE-CB 3.68Å; M136-I222 HydrophobicContact CE-CD1 3.94Å; M136-I222 HydrophobicContact CE-CG1 4.42Å; M136-I222 HydrophobicContact CE-CG2 3.4Å
137A98.6Very high97.3Very high0 Ų012.9 Ų12.90%07%0.071CC..Hα-helixtrans-60.2-42.5176.400000111.3G30 V32 A45 G133 S134 S135 S141G30-A137 WeakPolarHBondContact CA-O 3.42Å; V32-A137 HydrophobicContact CG2-CB 4.36Å; A45-A137 HydrophobicContact CB-CB 4.06Å; G133-A137 WeakPolarHBondContact O-CB 3.35Å; G133-A137 PolarHBondContact O-N 2.97Å; S134-A137 PolarHBondContact O-N 2.96Å; S135-A137 PolarHBondContact O-N 2.67Å; A137-S141 WeakPolarHBondContact O-CB 3.03Å; A137-S141 PolarHBondContact O-N 2.89Å
138L98.6Very high97.3Very high0 Ų012 Ų120%07%0.067CC..Hα-helixtrans-66.6-46.6172.1-73.4171.9000111.7A45 I99 F103 V111 I113 S134 S135 M136 V140 S141 I143 F145 K230A45-L138 HydrophobicContact CB-CD2 3.77Å; A45-L138 HydrophobicContact CB-CG 4.14Å; I99-L138 HydrophobicContact CD1-CD1 4.26Å; I99-L138 HydrophobicContact CG2-CD1 3.55Å; F103-L138 HydrophobicContact CE2-CD1 4.13Å; F103-L138 HydrophobicContact CZ-CD1 4.07Å; F103-L138 HydrophobicContact CZ-CD2 3.84Å; V111-L138 HydrophobicContact CG1-CD2 4.26Å; I113-L138 HydrophobicContact CD1-CD1 3.62Å; I113-L138 HydrophobicContact CD1-CD2 4.4Å; I113-L138 HydrophobicContact CD1-CG 4.03Å; S134-L138 PolarHBondContact O-N 3.24Å; S134-L138 VanDerWaalsContact O-N 3.1Å; S135-L138 PolarHBondContact O-N 3Å; M136-L138 VanDerWaalsContact C-N 3.31Å; M136-L138 PolarHBondContact O-N 2.85Å; L138-V140 VanDerWaalsContact C-N 3.34Å; L138-V140 PolarHBondContact O-N 3.23Å; L138-S141 WeakPolarHBondContact O-CB 3.43Å; L138-S141 PolarHBondContact O-N 2.87Å; L138-S141 VanDerWaalsContact O-N 3.09Å; L138-S141 PolarHBondContact O-OG 2.76Å; L138-I143 HydrophobicContact CD2-CB 4.43Å; L138-I143 HydrophobicContact CD2-CD1 4.08Å; L138-I143 HydrophobicContact CD2-CG2 4.24Å; L138-F145 HydrophobicContact CB-CB 3.97Å; L138-F145 HydrophobicContact CB-CD1 3.43Å; L138-F145 VanDerWaalsContact CB-CD1 3.43Å; L138-F145 HydrophobicContact CB-CE1 3.97Å; L138-F145 HydrophobicContact CB-CG 3.76Å; L138-F145 HydrophobicContact CD1-CB 4.49Å; L138-F145 HydrophobicContact CD1-CD1 4.06Å; L138-F145 HydrophobicContact CD1-CD2 3.87Å; L138-F145 HydrophobicContact CD1-CE1 4.15Å; L138-F145 HydrophobicContact CD1-CE2 3.98Å; L138-F145 HydrophobicContact CD1-CG 3.89Å; L138-F145 HydrophobicContact CD1-CZ 4.13Å; L138-F145 HydrophobicContact CG-CD1 4.4Å; L138-F145 HydrophobicContact CG-CG 4.38Å; L138-K230 PolarHBondContact O-NZ 2.92Å
139S98.1Very high97.4Very high6 Ų612 Ų124%0.0427%0.067CC..Hα-helixtrans-60.9-40.2-177-65.40000112.6S135 M136 S141 P228 K230S135-S139 WeakPolarHBondContact O-CB 3.27Å; S135-S139 PolarHBondContact O-N 2.93Å; S135-S139 PolarHBondContact O-OG 3.3Å; M136-S139 PolarHBondContact O-N 2.95Å; S139-S141 VanDerWaalsContact C-N 3.33Å; S139-P228 VanDerWaalsContact O-CG 3.26Å; S139-P228 WeakPolarHBondContact O-CG 3.38Å; S139-K230 PolarHBondContact O-NZ 3.36Å
140V97Very high97.4Very high5 Ų512 Ų123%0.037%0.067CC..THydrogen-bonded Turntrans-83.2-6.7177.6-53.50000114.3M1 V32 M136 L138 I226M1-V140 HydrophobicContact CE-CG2 4.26Å; M1-V140 WeakPolarHBondContact CE-O 3.36Å; V32-V140 HydrophobicContact CG1-CG2 4.14Å; M136-V140 HydrophobicContact CE-CG1 3.72Å; M136-V140 WeakPolarHBondContact O-CG1 3.3Å; M136-V140 VanDerWaalsContact O-CG2 3.3Å; M136-V140 WeakPolarHBondContact O-CG2 3.44Å; M136-V140 PolarHBondContact O-N 3.19Å; L138-V140 VanDerWaalsContact C-N 3.34Å; L138-V140 PolarHBondContact O-N 3.23Å; V140-I226 HydrophobicContact CB-CD1 4.26Å; V140-I226 HydrophobicContact CG1-CD1 3.53Å
141S97.4Very high97.3Very high1 Ų112 Ų121%0.0077%0.067CC..SBendtrans-82.6173.5175.777.20000112.6N29 A137 L138 S139 I143 K230N29-S141 VanDerWaalsContact C-CB 3.44Å; N29-S141 WeakPolarHBondContact O-CA 3.47Å; N29-S141 WeakPolarHBondContact O-CB 3.09Å; A137-S141 WeakPolarHBondContact O-CB 3.03Å; A137-S141 PolarHBondContact O-N 2.89Å; L138-S141 WeakPolarHBondContact O-CB 3.43Å; L138-S141 PolarHBondContact O-N 2.87Å; L138-S141 VanDerWaalsContact O-N 3.09Å; L138-S141 PolarHBondContact O-OG 2.76Å; S139-S141 VanDerWaalsContact C-N 3.33Å; S141-I143 VanDerWaalsContact C-N 3.3Å; S141-I143 VanDerWaalsContact OG-CB 3.3Å; S141-I143 WeakPolarHBondContact OG-CB 3.48Å; S141-I143 WeakPolarHBondContact OG-CG1 3.18Å; S141-I143 PolarHBondContact OG-N 2.8Å; S141-K230 WeakPolarHBondContact O-CD 3.34Å; S141-K230 PolarHBondContact O-NZ 3.42Å
142D96.5Very high97.3Very high61 Ų6112 Ų1233%0.3267%0.067SC..SBendtrans-79.7-6.216757.7-11.2000113.5N29 V229 K230 Q231N29-D142 VanDerWaalsContact CB-OD1 3.3Å; N29-D142 WeakPolarHBondContact CB-OD1 3.29Å; N29-D142 PolarHBondContact ND2-OD1 3.19Å; N29-D142 PolarHBondContact ND2-OD2 3.34Å; D142-V229 WeakPolarHBondContact CA-O 3.34Å; D142-V229 WeakPolarHBondContact CB-O 3.14Å; D142-K230 CarbonylContact O-C 3.58Å; D142-K230 WeakPolarHBondContact O-CA 3.06Å; D142-Q231 WeakPolarHBondContact O-CB 3.45Å; D142-Q231 PolarHBondContact O-N 3.28Å
143I97.9Very high97.3Very high0 Ų012 Ų120%07%0.067CC..SBendtrans-66.9134.9-179.2-56.6172.7000109.8N29 A45 A47 F103 V111 L138 S141 F145 K230N29-I143 HydrophobicContact CB-CD1 3.98Å; N29-I143 HydrophobicContact CB-CG1 4.08Å; A45-I143 HydrophobicContact CB-CD1 4.08Å; A47-I143 HydrophobicContact CB-CD1 3.8Å; A47-I143 HydrophobicContact CB-CG1 3.81Å; F103-I143 HydrophobicContact CE1-CG2 3.56Å; F103-I143 HydrophobicContact CZ-CG2 4.19Å; V111-I143 HydrophobicContact CG1-CD1 4.45Å; V111-I143 HydrophobicContact CG2-CG2 4.3Å; L138-I143 HydrophobicContact CD2-CB 4.43Å; L138-I143 HydrophobicContact CD2-CD1 4.08Å; L138-I143 HydrophobicContact CD2-CG2 4.24Å; S141-I143 VanDerWaalsContact C-N 3.3Å; S141-I143 VanDerWaalsContact OG-CB 3.3Å; S141-I143 WeakPolarHBondContact OG-CB 3.48Å; S141-I143 WeakPolarHBondContact OG-CG1 3.18Å; S141-I143 PolarHBondContact OG-N 2.8Å; I143-F145 PolarHBondContact O-N 2.88Å; I143-K230 WeakPolarHBondContact O-CD 3.42Å; I143-K230 PolarHBondContact O-NZ 3.3Å
144P96Very high97.3Very high13 Ų1312 Ų128%0.0847%0.067CC..  trans-7560.9-174.132.9-37.8000112.6P104 Y107 F233P104-P144 WeakPolarHBondContact CD-O 3.39Å; P104-P144 HydrophobicContact CG-CB 4.15Å; P104-P144 HydrophobicContact CG-CG 4.38Å; Y107-P144 HydrophobicContact CD2-CG 4.07Å; Y107-P144 HydrophobicContact CE1-CG 4.42Å; Y107-P144 HydrophobicContact CE2-CG 3.63Å; P144-F233 HydrophobicContact CG-CB 4.45Å
145F96.2Very high97.2Very high13 Ų1312 Ų126%0.0577%0.067CC..  trans-89.1133.5176.7173.8-119.6000111I99 L102 F103 L138 I143 G147I99-F145 HydrophobicContact CB-CE2 4.44Å; I99-F145 HydrophobicContact CG1-CZ 4.49Å; I99-F145 HydrophobicContact CG2-CE2 3.94Å; L102-F145 HydrophobicContact CB-CD2 4.1Å; L102-F145 HydrophobicContact CB-CE2 3.68Å; L102-F145 HydrophobicContact CD1-CE2 4.06Å; L102-F145 HydrophobicContact CD1-CZ 4.15Å; L102-F145 HydrophobicContact CG-CE2 4.48Å; F103-F145 HydrophobicContact CD2-CD2 4.07Å; F103-F145 AromaticContact CE2-CD2 3.69Å; F103-F145 HydrophobicContact CE2-CD2 3.69Å; F103-F145 HydrophobicContact CE2-CE2 4.3Å; F103-F145 HydrophobicContact CZ-CB 4.35Å; F103-F145 HydrophobicContact CZ-CD2 4.17Å; L138-F145 HydrophobicContact CB-CB 3.97Å; L138-F145 HydrophobicContact CB-CD1 3.43Å; L138-F145 VanDerWaalsContact CB-CD1 3.43Å; L138-F145 HydrophobicContact CB-CE1 3.97Å; L138-F145 HydrophobicContact CB-CG 3.76Å; L138-F145 HydrophobicContact CD1-CB 4.49Å; L138-F145 HydrophobicContact CD1-CD1 4.06Å; L138-F145 HydrophobicContact CD1-CD2 3.87Å; L138-F145 HydrophobicContact CD1-CE1 4.15Å; L138-F145 HydrophobicContact CD1-CE2 3.98Å; L138-F145 HydrophobicContact CD1-CG 3.89Å; L138-F145 HydrophobicContact CD1-CZ 4.13Å; L138-F145 HydrophobicContact CG-CD1 4.4Å; L138-F145 HydrophobicContact CG-CG 4.38Å; I143-F145 PolarHBondContact O-N 2.88Å; F145-G147 VanDerWaalsContact CE1-CA 3.45Å
146Q93.2Very high97.2Very high122 Ų12213.5 Ų13.557%0.577%0.073SC*.  trans-99.633.2-176.8-57.3178.6-24.800113.1L102L102-Q146 HydrophobicContact CB-CB 4.36Å; L102-Q146 VanDerWaalsContact O-CB 3.29Å; L102-Q146 WeakPolarHBondContact O-CB 3.5Å; L102-Q146 PolarHBondContact O-N 2.8Å
147G93.3Very high97.2Very high24 Ų2414.7 Ų14.725%0.2478%0.079CC..  trans-82.3-155.4170.800000113.5F145F145-G147 VanDerWaalsContact CE1-CA 3.45Å
148P97.7Very high97Very high6 Ų622.2 Ų22.24%0.03912%0.12CC..  cis-84.3162.710.528.6-27.1000113.8S135 V216 Q219S135-P148 WeakPolarHBondContact OG-CA 3.44Å; S135-P148 VanDerWaalsContact OG-CB 3.27Å; S135-P148 WeakPolarHBondContact OG-CB 3.41Å; P148-V216 HydrophobicContact CG-CG1 4.12Å; P148-Q219 HydrophobicContact CB-CB 3.79Å; P148-Q219 HydrophobicContact CB-CG 4.44Å; P148-Q219 HydrophobicContact CG-CB 3.67Å
149I97.2Very high96.9Very high0 Ų024.6 Ų24.60%014%0.144CC..  trans-115160.5169.163.2161.8000110.5P98 I99 L102 M131 S135 G181 H182 Q219P98-I149 HydrophobicContact CB-CD1 3.61Å; P98-I149 HydrophobicContact CG-CD1 3.44Å; P98-I149 VanDerWaalsContact CG-CD1 3.44Å; I99-I149 HydrophobicContact CD1-CD1 4.26Å; I99-I149 HydrophobicContact CG1-CD1 3.45Å; I99-I149 VanDerWaalsContact CG1-CD1 3.45Å; I99-I149 HydrophobicContact CG1-CG1 4.26Å; L102-I149 HydrophobicContact CD1-CG2 3.28Å; M131-I149 HydrophobicContact CG-CD1 4.19Å; S135-I149 WeakPolarHBondContact CB-O 3.36Å; S135-I149 PolarHBondContact OG-N 3.4Å; S135-I149 PolarHBondContact OG-O 3.07Å; S135-I149 VanDerWaalsContact OG-O 3.05Å; I149-G181 CarbonylContact C-O 3.5Å; I149-G181 VanDerWaalsContact CA-O 3.26Å; I149-G181 WeakPolarHBondContact CA-O 3.24Å; I149-G181 WeakPolarHBondContact CB-O 3.42Å; I149-H182 HydrophobicContact CG2-CB 4.38Å; I149-Q219 PolarHBondContact O-NE2 3.01Å; I149-Q219 PolarHBondContact O-OE1 3.35Å
150A97.7Very high96.9Very high0 Ų031.4 Ų31.40%017%0.173CC..EExtended strand (participates in β ladder)trans-136.8167.3161.400000109.4I132 A180 G181 I212 L215 V216I132-A150 HydrophobicContact CG1-CB 4.39Å; A150-A180 CarbonylContact O-C 3.54Å; A150-A180 VanDerWaalsContact O-CA 3.25Å; A150-A180 WeakPolarHBondContact O-CA 3.08Å; A150-A180 WeakPolarHBondContact O-CB 3.36Å; A150-G181 PolarHBondContact N-O 2.89Å; A150-G181 PolarHBondContact O-N 3.03Å; A150-I212 HydrophobicContact CB-CG1 4.46Å; A150-I212 HydrophobicContact CB-CG2 4.15Å; A150-L215 HydrophobicContact CB-CB 3.63Å; A150-L215 HydrophobicContact CB-CD1 4.04Å; A150-V216 HydrophobicContact CB-CG2 4.19Å
151G96.8Very high96.9Very high0 Ų033.7 Ų33.70%018%0.181CC..EExtended strand (participates in β ladder)trans-143.3160.9169.100000110.6W12 M131 V179W12-G151 WeakPolarHBondContact CZ2-O 3.44Å; M131-G151 VanDerWaalsContact SD-CA 3.55Å; G151-V179 CarbonylContact C-O 3.59Å; G151-V179 WeakPolarHBondContact CA-O 3.39Å
152V98Very high97Very high0 Ų035.8 Ų35.80%019%0.192CC..EExtended strand (participates in β ladder)trans-142.9153.8-178.4-64.10000110.1W12 V154 I163 V179 E211 I212 L215W12-V152 HydrophobicContact CZ2-CG1 4.3Å; V152-V154 HydrophobicContact CG2-CG2 4.06Å; V152-I163 HydrophobicContact CB-CG2 4.06Å; V152-I163 HydrophobicContact CG1-CG2 4.04Å; V152-I163 HydrophobicContact CG2-CD1 4.23Å; V152-V179 HydrophobicContact CG2-CG1 3.62Å; V152-V179 PolarHBondContact N-O 2.94Å; V152-V179 PolarHBondContact O-N 3.22Å; V152-E211 HydrophobicContact CG1-CB 4.36Å; V152-E211 HydrophobicContact CG1-CG 3.85Å; V152-I212 HydrophobicContact CG1-CG1 4.3Å; V152-I212 HydrophobicContact CG2-CD1 4.31Å; V152-I212 HydrophobicContact CG2-CG1 4.22Å; V152-L215 HydrophobicContact CG1-CD1 3.99Å
153N97.8Very high97Very high2 Ų234 Ų341%0.01118%0.182CC..EExtended strand (participates in β ladder)trans-89.4138.2162-71.187.6000108.9M128 I163 N164 D176 L177 E178M128-N153 WeakPolarHBondContact CE-OD1 3.48Å; M128-N153 WeakPolarHBondContact CG-OD1 3.2Å; N153-I163 CarbonylContact O-C 3.59Å; N153-I163 WeakPolarHBondContact O-CA 3.28Å; N153-N164 PolarHBondContact N-OD1 3.02Å; N153-N164 PolarHBondContact O-N 2.81Å; N153-D176 PolarHBondContact ND2-OD1 3.06Å; N153-L177 CarbonylContact C-O 3.6Å; N153-L177 VanDerWaalsContact CA-O 3.23Å; N153-L177 WeakPolarHBondContact CA-O 3.28Å; N153-E178 WeakPolarHBondContact ND2-CG 3.25Å; N153-E178 PolarHBondContact ND2-OE1 2.86Å
154V98.6Very high97Very high0 Ų034.3 Ų34.30%018%0.184CC..EExtended strand (participates in β ladder)trans-119.7122.9175.1-172.20000108.8V152 Y161 I162 I163 L177 V179 A204 F207V152-V154 HydrophobicContact CG2-CG2 4.06Å; V154-Y161 HydrophobicContact CG1-CD1 4.29Å; V154-I162 CarbonylContact C-O 3.21Å; V154-I162 WeakPolarHBondContact CA-O 3.27Å; V154-I163 HydrophobicContact CG2-CD1 3.98Å; V154-L177 HydrophobicContact CB-CB 4.14Å; V154-L177 HydrophobicContact CB-CD2 4.09Å; V154-L177 HydrophobicContact CB-CG 4.31Å; V154-L177 HydrophobicContact CG2-CD2 4.31Å; V154-L177 PolarHBondContact N-O 3.31Å; V154-L177 PolarHBondContact O-N 3.12Å; V154-V179 HydrophobicContact CG2-CG1 4.07Å; V154-A204 HydrophobicContact CG1-CB 4.21Å; V154-F207 HydrophobicContact CG1-CD1 3.87Å; V154-F207 HydrophobicContact CG1-CE1 4.4Å
155G98.3Very high97Very high0 Ų034 Ų340%018%0.182CC..EExtended strand (participates in β ladder)trans-98.6162.417100000112.4Y161 I162 S173 L175G155-Y161 VanDerWaalsContact O-CA 3.29Å; G155-Y161 WeakPolarHBondContact O-CA 3.22Å; G155-I162 PolarHBondContact N-O 3.08Å; G155-I162 PolarHBondContact O-N 3.17Å; G155-S173 WeakPolarHBondContact CA-OG 3.32Å; G155-L175 WeakPolarHBondContact CA-O 3.41Å
156Y98.4Very high97Very high30 Ų3034.8 Ų34.812%0.11819%0.188CC..EExtended strand (participates in β ladder)trans-133.7107.5172.9-168.3-113.2000110.8G159 K160 Y161 S173 R174 I196 E200Y156-G159 VanDerWaalsContact CE2-C 3.49Å; Y156-G159 WeakPolarHBondContact OH-CA 3.39Å; Y156-K160 WeakPolarHBondContact CA-O 3.36Å; Y156-K160 WeakPolarHBondContact CD2-O 3.3Å; Y156-Y161 AromaticContact CD2-CD1 3.39Å; Y156-Y161 HydrophobicContact CD2-CD1 3.39Å; Y156-Y161 AromaticContact CD2-CE1 3.23Å; Y156-Y161 HydrophobicContact CD2-CE1 3.23Å; Y156-Y161 HydrophobicContact CD2-CG 4.14Å; Y156-Y161 AromaticContact CD2-CZ 3.91Å; Y156-Y161 AromaticContact CE2-CD1 3.98Å; Y156-Y161 HydrophobicContact CE2-CD1 3.98Å; Y156-Y161 AromaticContact CE2-CE1 3.5Å; Y156-Y161 HydrophobicContact CE2-CE1 3.5Å; Y156-Y161 HydrophobicContact CE2-CE2 4.29Å; Y156-Y161 HydrophobicContact CE2-CG 4.5Å; Y156-Y161 AromaticContact CE2-CZ 3.67Å; Y156-Y161 HydrophobicContact CG-CD1 4.34Å; Y156-Y161 HydrophobicContact CG-CE1 4.15Å; Y156-S173 PolarHBondContact N-OG 3.31Å; Y156-R174 PolarHBondContact O-N 3.21Å; Y156-I196 HydrophobicContact CD1-CD1 3.62Å; Y156-I196 HydrophobicContact CE1-CD1 4.19Å; Y156-I196 HydrophobicContact CG-CD1 4.31Å; Y156-E200 WeakPolarHBondContact CE1-OE1 3.48Å; Y156-E200 PolarHBondContact OH-OE1 2.94Å
157I97.8Very high96.9Very high25 Ų2531.1 Ų31.113%0.12817%0.173CC..EExtended strand (participates in β ladder)trans-130.8128.1-174.5-54.6175.6000108.4G159 K160 I162 E169 V172I157-G159 PolarHBondContact O-N 3.12Å; I157-G159 VanDerWaalsContact O-N 3.08Å; I157-K160 PolarHBondContact N-O 3.45Å; I157-K160 PolarHBondContact O-N 2.96Å; I157-I162 HydrophobicContact CB-CD1 4.27Å; I157-I162 HydrophobicContact CD1-CD1 3.84Å; I157-I162 HydrophobicContact CG1-CD1 4.29Å; I157-E169 HydrophobicContact CD1-CB 3.7Å; I157-E169 HydrophobicContact CD1-CG 4.12Å; I157-E169 VanDerWaalsContact CD1-O 3.27Å; I157-E169 WeakPolarHBondContact CD1-O 3.36Å; I157-V172 HydrophobicContact CD1-CG2 3.97Å; I157-V172 HydrophobicContact CG1-CG2 4.41Å; I157-V172 HydrophobicContact CG2-CG2 4.23Å
158D95Very high97Very high159 Ų15937.4 Ų37.485%0.8520%0.197SC*.THydrogen-bonded Turntrans47.641.5175.7-62.1-30.8000114.6
159G95.3Very high96.9Very high50 Ų5040.2 Ų40.252%0.51521%0.209SC..THydrogen-bonded Turntrans81.510.1178.200000115.2Y156 I157Y156-G159 VanDerWaalsContact CE2-C 3.49Å; Y156-G159 WeakPolarHBondContact OH-CA 3.39Å; I157-G159 PolarHBondContact O-N 3.12Å; I157-G159 VanDerWaalsContact O-N 3.08Å
160K97.7Very high96.7Very high148 Ų14844.3 Ų44.364%0.64323%0.227SC*.EExtended strand (participates in β ladder)trans-125140.6-176.6-61.5179.3-175.2171.90112.1Y156 I157Y156-K160 WeakPolarHBondContact CA-O 3.36Å; Y156-K160 WeakPolarHBondContact CD2-O 3.3Å; I157-K160 PolarHBondContact N-O 3.45Å; I157-K160 PolarHBondContact O-N 2.96Å
161Y98.4Very high96.5Very high54 Ų5451.8 Ų51.821%0.21226%0.262CS..EExtended strand (participates in β ladder)trans-82.9140.3169.8-54.1-68.8000111V154 G155 Y156 E200 E203 A204 F207V154-Y161 HydrophobicContact CG1-CD1 4.29Å; G155-Y161 VanDerWaalsContact O-CA 3.29Å; G155-Y161 WeakPolarHBondContact O-CA 3.22Å; Y156-Y161 AromaticContact CD2-CD1 3.39Å; Y156-Y161 HydrophobicContact CD2-CD1 3.39Å; Y156-Y161 AromaticContact CD2-CE1 3.23Å; Y156-Y161 HydrophobicContact CD2-CE1 3.23Å; Y156-Y161 HydrophobicContact CD2-CG 4.14Å; Y156-Y161 AromaticContact CD2-CZ 3.91Å; Y156-Y161 AromaticContact CE2-CD1 3.98Å; Y156-Y161 HydrophobicContact CE2-CD1 3.98Å; Y156-Y161 AromaticContact CE2-CE1 3.5Å; Y156-Y161 HydrophobicContact CE2-CE1 3.5Å; Y156-Y161 HydrophobicContact CE2-CE2 4.29Å; Y156-Y161 HydrophobicContact CE2-CG 4.5Å; Y156-Y161 AromaticContact CE2-CZ 3.67Å; Y156-Y161 HydrophobicContact CG-CD1 4.34Å; Y156-Y161 HydrophobicContact CG-CE1 4.15Å; Y161-E200 WeakPolarHBondContact OH-CA 3.45Å; Y161-E200 PolarHBondContact OH-O 2.95Å; Y161-E200 VanDerWaalsContact OH-O 3.12Å; Y161-E203 HydrophobicContact CE2-CB 3.78Å; Y161-E203 WeakPolarHBondContact OH-CB 3.49Å; Y161-A204 HydrophobicContact CD1-CB 3.77Å; Y161-A204 HydrophobicContact CE1-CB 3.6Å; Y161-F207 VanDerWaalsContact CB-CE1 3.43Å; Y161-F207 HydrophobicContact CD2-CB 4.41Å; Y161-F207 HydrophobicContact CD2-CG 4.35Å; Y161-F207 HydrophobicContact CG-CB 4.45Å; Y161-F207 HydrophobicContact CG-CD1 4.2Å; Y161-F207 HydrophobicContact CG-CG 4.23Å; Y161-F207 WeakPolarHBondContact O-CZ 3.35Å
162I98.1Very high96.4Very high45 Ų4556.6 Ų56.623%0.23129%0.291CS..EExtended strand (participates in β ladder)trans-133.1133.7179.9-56.4176.2000108.8V154 G155 I157V154-I162 CarbonylContact C-O 3.21Å; V154-I162 WeakPolarHBondContact CA-O 3.27Å; G155-I162 PolarHBondContact N-O 3.08Å; G155-I162 PolarHBondContact O-N 3.17Å; I157-I162 HydrophobicContact CB-CD1 4.27Å; I157-I162 HydrophobicContact CD1-CD1 3.84Å; I157-I162 HydrophobicContact CG1-CD1 4.29Å
163I98.2Very high96.4Very high24 Ų2457.3 Ų57.312%0.12330%0.296CS..EExtended strand (participates in β ladder)trans-85.9136.7174.8-58.7-57.2000109.8A13 V152 N153 V154 F207 E211A13-I163 HydrophobicContact CB-CB 4.12Å; A13-I163 HydrophobicContact CB-CG2 3.85Å; A13-I163 VanDerWaalsContact CB-O 3.32Å; A13-I163 WeakPolarHBondContact CB-O 3.4Å; V152-I163 HydrophobicContact CB-CG2 4.06Å; V152-I163 HydrophobicContact CG1-CG2 4.04Å; V152-I163 HydrophobicContact CG2-CD1 4.23Å; N153-I163 CarbonylContact O-C 3.59Å; N153-I163 WeakPolarHBondContact O-CA 3.28Å; V154-I163 HydrophobicContact CG2-CD1 3.98Å; I163-F207 HydrophobicContact CD1-CD1 3.59Å; I163-F207 HydrophobicContact CD1-CE1 3.34Å; I163-F207 HydrophobicContact CD1-CZ 4.28Å; I163-F207 HydrophobicContact CG1-CD1 4.34Å; I163-F207 HydrophobicContact CG1-CE1 3.61Å; I163-F207 HydrophobicContact CG1-CZ 4.14Å; I163-E211 HydrophobicContact CD1-CB 4.26Å; I163-E211 HydrophobicContact CG1-CB 4.25Å; I163-E211 HydrophobicContact CG1-CG 4.38Å; I163-E211 HydrophobicContact CG2-CG 4.04Å
164N96.9Very high96.3Very high5 Ų561.7 Ų61.73%0.02731%0.312CS..SBendtrans43.365.3179.5-65.4-6.1000113.2W12 A13 R15 Y36 N153W12-N164 WeakPolarHBondContact CZ2-ND2 3.16Å; W12-N164 PolarHBondContact NE1-ND2 3.2Å; W12-N164 VanDerWaalsContact NE1-ND2 3.1Å; A13-N164 HydrophobicContact CB-CB 3.89Å; R15-N164 PolarHBondContact NH1-O 2.99Å; R15-N164 PolarHBondContact NH2-O 3.17Å; Y36-N164 WeakPolarHBondContact OH-CB 3.34Å; Y36-N164 PolarHBondContact OH-ND2 2.89Å; N153-N164 PolarHBondContact N-OD1 3.02Å; N153-N164 PolarHBondContact O-N 2.81Å
165P96.8Very high96.3Very high8 Ų861.9 Ų61.95%0.05231%0.313CS..  trans-58.3146.2-178.6-16.328.4000112E169 K170P165-E169 VanDerWaalsContact CA-OE2 3.27Å; P165-E169 WeakPolarHBondContact CA-OE2 3.27Å; P165-E169 HydrophobicContact CB-CB 3.65Å; P165-K170 HydrophobicContact CB-CG 4.02Å
166T94.8Very high96.3Very high28 Ų2864 Ų6417%0.17233%0.325CS..  trans-61.8170.8170.661.70000111.7D123 E168 E169 K170D123-T166 HydrophobicContact CB-CG2 4.35Å; D123-T166 WeakPolarHBondContact OD1-CA 3.46Å; D123-T166 WeakPolarHBondContact OD1-CB 3.36Å; T166-E168 VanDerWaalsContact C-N 3.31Å; T166-E168 PolarHBondContact O-N 3.11Å; T166-E169 PolarHBondContact N-OE2 3.46Å; T166-E169 PolarHBondContact O-N 3.45Å; T166-E169 WeakPolarHBondContact OG1-CB 3.31Å; T166-E169 VanDerWaalsContact OG1-CG 3.23Å; T166-E169 WeakPolarHBondContact OG1-CG 3.28Å; T166-E169 PolarHBondContact OG1-N 3.47Å; T166-E169 PolarHBondContact OG1-OE2 3.4Å; T166-K170 WeakPolarHBondContact O-CB 3.33Å; T166-K170 WeakPolarHBondContact O-CG 3.42Å; T166-K170 PolarHBondContact O-N 3.24Å
167V92.1Very high96.2Very high45 Ų4562.6 Ų62.627%0.27332%0.319SS..Hα-helixtrans-54.8-48.5171.7178.20000110.9P122 D123 E169 K170 E171P122-V167 HydrophobicContact CB-CG2 3.78Å; D123-V167 PolarHBondContact OD1-N 3.3Å; V167-E169 PolarHBondContact O-N 3.1Å; V167-K170 PolarHBondContact O-N 3.35Å; V167-E171 PolarHBondContact O-N 3.31Å; V167-E171 VanDerWaalsContact O-N 3.16Å
168E94.3Very high96.2Very high157 Ų15762 Ų6273%0.73432%0.316SS*.Hα-helixtrans-62.7-39.5178.8-63.4-178.3173.600112.5T166T166-E168 VanDerWaalsContact C-N 3.31Å; T166-E168 PolarHBondContact O-N 3.11Å
169E96.8Very high96.3Very high64 Ų6454.5 Ų54.530%0.29928%0.276SS..Hα-helixtrans-70-36.9177.5-72.5171.6151.600111.7I157 P165 T166 V167 E171 V172 S173I157-E169 HydrophobicContact CD1-CB 3.7Å; I157-E169 HydrophobicContact CD1-CG 4.12Å; I157-E169 VanDerWaalsContact CD1-O 3.27Å; I157-E169 WeakPolarHBondContact CD1-O 3.36Å; P165-E169 VanDerWaalsContact CA-OE2 3.27Å; P165-E169 WeakPolarHBondContact CA-OE2 3.27Å; P165-E169 HydrophobicContact CB-CB 3.65Å; T166-E169 PolarHBondContact N-OE2 3.46Å; T166-E169 PolarHBondContact O-N 3.45Å; T166-E169 WeakPolarHBondContact OG1-CB 3.31Å; T166-E169 VanDerWaalsContact OG1-CG 3.23Å; T166-E169 WeakPolarHBondContact OG1-CG 3.28Å; T166-E169 PolarHBondContact OG1-N 3.47Å; T166-E169 PolarHBondContact OG1-OE2 3.4Å; V167-E169 PolarHBondContact O-N 3.1Å; E169-E171 VanDerWaalsContact C-N 3.33Å; E169-E171 PolarHBondContact O-N 3.16Å; E169-V172 WeakPolarHBondContact O-CG2 3.45Å; E169-V172 PolarHBondContact O-N 3.39Å; E169-S173 VanDerWaalsContact O-CB 3.32Å; E169-S173 WeakPolarHBondContact O-CB 3.39Å; E169-S173 PolarHBondContact O-N 3.25Å
170K93.7Very high96.4Very high86 Ų8652.1 Ų52.137%0.37425%0.251SS..Hα-helixtrans-62.8-38.1176-77.3-176.7177.4-169.90112.2P165 T166 V167 V172 S173P165-K170 HydrophobicContact CB-CG 4.02Å; T166-K170 WeakPolarHBondContact O-CB 3.33Å; T166-K170 WeakPolarHBondContact O-CG 3.42Å; T166-K170 PolarHBondContact O-N 3.24Å; V167-K170 PolarHBondContact O-N 3.35Å; K170-V172 VanDerWaalsContact C-N 3.28Å; K170-V172 PolarHBondContact O-N 3.1Å; K170-S173 PolarHBondContact O-N 3.17Å
171E91.8Very high96.2Very high157 Ų15745.1 Ų45.173%0.73422%0.221SC*.Hα-helixtrans-61-35.2179.3-74.7-179.5178.800112.9V167 E169V167-E171 PolarHBondContact O-N 3.31Å; V167-E171 VanDerWaalsContact O-N 3.16Å; E169-E171 VanDerWaalsContact C-N 3.33Å; E169-E171 PolarHBondContact O-N 3.16Å
172V95.5Very high96Very high101 Ų10143.9 Ų43.961%0.61222%0.217SC*.Hα-helixtrans-99.5-5.1-179.4-57.70000113.6I157 E169 K170I157-V172 HydrophobicContact CD1-CG2 3.97Å; I157-V172 HydrophobicContact CG1-CG2 4.41Å; I157-V172 HydrophobicContact CG2-CG2 4.23Å; E169-V172 WeakPolarHBondContact O-CG2 3.45Å; E169-V172 PolarHBondContact O-N 3.39Å; K170-V172 VanDerWaalsContact C-N 3.28Å; K170-V172 PolarHBondContact O-N 3.1Å
173S97.4Very high95.8Very high15 Ų1546 Ų4611%0.10522%0.224CC..  trans-72.3135.2-179.1-1740000112.1G155 Y156 E169 K170 L175G155-S173 WeakPolarHBondContact CA-OG 3.32Å; Y156-S173 PolarHBondContact N-OG 3.31Å; E169-S173 VanDerWaalsContact O-CB 3.32Å; E169-S173 WeakPolarHBondContact O-CB 3.39Å; E169-S173 PolarHBondContact O-N 3.25Å; K170-S173 PolarHBondContact O-N 3.17Å; S173-L175 PolarHBondContact O-N 3.2Å; S173-L175 PolarHBondContact OG-N 3.34Å; S173-L175 PolarHBondContact OG-O 3.04Å
174R96.5Very high95.5Very high95 Ų9550.9 Ų50.936%0.35825%0.251SS..SBendtrans-77.6-11.9171.8-71.3176.960.3-143.7-2.5113.1Y156 A193 S194 E195 I196 E200Y156-R174 PolarHBondContact O-N 3.21Å; R174-A193 CarbonylContact O-C 3.25Å; R174-A193 VanDerWaalsContact O-CA 3.26Å; R174-A193 WeakPolarHBondContact O-CA 3.31Å; R174-S194 PolarHBondContact O-N 3.04Å; R174-E195 PolarHBondContact NH2-O 3.25Å; R174-I196 HydrophobicContact CB-CD1 3.97Å; R174-I196 HydrophobicContact CB-CG1 4.36Å; R174-E200 IonicContact NH1-OE1 3.95Å; R174-E200 PolarHBondContact NH1-OE1 3.17Å
175L98.3Very high95.3Very high3 Ų351.2 Ų51.22%0.01625%0.254CS..EExtended strand (participates in β ladder)trans-135.7133.8-175.1-178.663.6000110.1G155 S173 L177 A191 A193 I196 M201 A204G155-L175 WeakPolarHBondContact CA-O 3.41Å; S173-L175 PolarHBondContact O-N 3.2Å; S173-L175 PolarHBondContact OG-N 3.34Å; S173-L175 PolarHBondContact OG-O 3.04Å; L175-L177 HydrophobicContact CD1-CB 3.93Å; L175-L177 HydrophobicContact CD2-CB 3.9Å; L175-L177 HydrophobicContact CD2-CD2 4.26Å; L175-L177 HydrophobicContact CG-CB 3.77Å; L175-A191 HydrophobicContact CD1-CB 4.29Å; L175-A193 HydrophobicContact CD1-CB 3.87Å; L175-I196 HydrophobicContact CB-CG1 4.4Å; L175-M201 HydrophobicContact CD1-CE 3.61Å; L175-M201 HydrophobicContact CD1-SD 4.08Å; L175-A204 HydrophobicContact CD2-CB 3.5Å; L175-A204 VanDerWaalsContact CD2-CB 3.5Å
176D97.4Very high95.1Very high46 Ų4650.8 Ų50.825%0.24625%0.251CS..EExtended strand (participates in β ladder)trans-124.495.8162.3-179.721.2000106.7N153 A191 G192N153-D176 PolarHBondContact ND2-OD1 3.06Å; D176-A191 CarbonylContact O-C 3.49Å; D176-A191 WeakPolarHBondContact O-CA 3.09Å; D176-G192 PolarHBondContact N-O 3.32Å; D176-G192 PolarHBondContact O-N 3.27Å
177L98Very high94.9Very high0 Ų049.5 Ų49.50%024%0.244CC..EExtended strand (participates in β ladder)trans-111.5116.1-175.7166.867.3000109.7N153 V154 L175 V189 A191 M201 A204 I205 I509N153-L177 CarbonylContact C-O 3.6Å; N153-L177 VanDerWaalsContact CA-O 3.23Å; N153-L177 WeakPolarHBondContact CA-O 3.28Å; V154-L177 HydrophobicContact CB-CB 4.14Å; V154-L177 HydrophobicContact CB-CD2 4.09Å; V154-L177 HydrophobicContact CB-CG 4.31Å; V154-L177 HydrophobicContact CG2-CD2 4.31Å; V154-L177 PolarHBondContact N-O 3.31Å; V154-L177 PolarHBondContact O-N 3.12Å; L175-L177 HydrophobicContact CD1-CB 3.93Å; L175-L177 HydrophobicContact CD2-CB 3.9Å; L175-L177 HydrophobicContact CD2-CD2 4.26Å; L175-L177 HydrophobicContact CG-CB 3.77Å; L177-V189 HydrophobicContact CD1-CG1 3.34Å; L177-A191 HydrophobicContact CB-CB 4.06Å; L177-A191 HydrophobicContact CD1-CB 3.65Å; L177-A191 HydrophobicContact CG-CB 4.49Å; L177-M201 HydrophobicContact CD1-SD 4.16Å; L177-M201 HydrophobicContact CD2-SD 4.3Å; L177-A204 HydrophobicContact CD2-CB 3.52Å; L177-I205 HydrophobicContact CD1-CG1 4.29Å; L177-I205 HydrophobicContact CD2-CG1 3.95Å; L177-I509 HydrophobicContact CD1-CD1 4.4Å
178E97.7Very high94.9Very high13 Ų1347.4 Ų47.46%0.06123%0.231CC..EExtended strand (participates in β ladder)trans-93.9118.5167.5-65.5176156.500108.5L94 Q127 M128 N153 V189 E190L94-E178 HydrophobicContact CD1-CB 4.21Å; L94-E178 VanDerWaalsContact CD1-OE2 3.27Å; L94-E178 WeakPolarHBondContact CD1-OE2 3.48Å; L94-E178 HydrophobicContact CD2-CB 4.33Å; L94-E178 WeakPolarHBondContact CD2-OE2 3.46Å; Q127-E178 VanDerWaalsContact CD-OE1 3.25Å; Q127-E178 VanDerWaalsContact NE2-CD 3.29Å; Q127-E178 PolarHBondContact NE2-OE1 2.85Å; Q127-E178 PolarHBondContact NE2-OE2 3.2Å; Q127-E178 PolarHBondContact OE1-OE1 3.34Å; Q127-E178 VanDerWaalsContact OE1-OE1 3.05Å; M128-E178 HydrophobicContact CE-CB 4.17Å; M128-E178 HydrophobicContact CE-CG 3.8Å; N153-E178 WeakPolarHBondContact ND2-CG 3.25Å; N153-E178 PolarHBondContact ND2-OE1 2.86Å; E178-V189 CarbonylContact O-C 3.51Å; E178-V189 WeakPolarHBondContact O-CA 3.27Å; E178-E190 WeakPolarHBondContact CA-O 3.28Å; E178-E190 HydrophobicContact CB-CB 4.49Å; E178-E190 WeakPolarHBondContact CB-O 3.23Å; E178-E190 PolarHBondContact N-O 3.28Å; E178-E190 PolarHBondContact O-N 2.65Å
179V97.1Very high95Very high1 Ų139.9 Ų39.91%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-124.4138.2176.355.90000108.9G151 V152 V154 V186 M188 V189 I205 I212G151-V179 CarbonylContact C-O 3.59Å; G151-V179 WeakPolarHBondContact CA-O 3.39Å; V152-V179 HydrophobicContact CG2-CG1 3.62Å; V152-V179 PolarHBondContact N-O 2.94Å; V152-V179 PolarHBondContact O-N 3.22Å; V154-V179 HydrophobicContact CG2-CG1 4.07Å; V179-V186 HydrophobicContact CG2-CG1 3.79Å; V179-V186 HydrophobicContact CG2-CG2 4.27Å; V179-M188 WeakPolarHBondContact CA-O 3.23Å; V179-V189 HydrophobicContact CB-CG2 4.48Å; V179-V189 HydrophobicContact CG2-CG2 4.09Å; V179-I205 HydrophobicContact CG2-CG2 4.31Å; V179-I212 HydrophobicContact CG1-CD1 4.12Å; V179-I212 HydrophobicContact CG2-CD1 4.08Å; V179-I212 WeakPolarHBondContact O-CD1 3.24Å
180A96.2Very high94.9Very high0 Ų037.2 Ų37.20%018%0.183CC..EExtended strand (participates in β ladder)trans-138.2148.5174.800000111.5P98 M131 A150 N187 M188P98-A180 HydrophobicContact CB-CB 4.01Å; P98-A180 HydrophobicContact CG-CB 3.92Å; M131-A180 HydrophobicContact CE-CB 3.93Å; M131-A180 HydrophobicContact SD-CB 3.46Å; M131-A180 WeakPolarHBondContact SD-CB 3.29Å; A150-A180 CarbonylContact O-C 3.54Å; A150-A180 VanDerWaalsContact O-CA 3.25Å; A150-A180 WeakPolarHBondContact O-CA 3.08Å; A150-A180 WeakPolarHBondContact O-CB 3.36Å; A180-N187 PolarHBondContact O-N 3.39Å; A180-M188 HydrophobicContact CB-CB 4.5Å; A180-M188 HydrophobicContact CB-CE 3.56Å; A180-M188 PolarHBondContact N-O 2.77Å; A180-M188 PolarHBondContact O-N 2.84Å
181G94.7Very high95.1Very high0 Ų033.2 Ų33.20%017%0.166CC..EExtended strand (participates in β ladder)trans-173.1-179.3-179.500000113.3I149 A150 A185 N187 I212I149-G181 CarbonylContact C-O 3.5Å; I149-G181 VanDerWaalsContact CA-O 3.26Å; I149-G181 WeakPolarHBondContact CA-O 3.24Å; I149-G181 WeakPolarHBondContact CB-O 3.42Å; A150-G181 PolarHBondContact N-O 2.89Å; A150-G181 PolarHBondContact O-N 3.03Å; G181-A185 WeakPolarHBondContact CA-O 3.33Å; G181-N187 VanDerWaalsContact CA-OD1 3.26Å; G181-N187 WeakPolarHBondContact CA-OD1 3.46Å; G181-I212 VanDerWaalsContact O-CG2 3.25Å; G181-I212 WeakPolarHBondContact O-CG2 3.48Å
182H94.1Very high95.3Very high29 Ų2925.7 Ų25.713%0.13413%0.131CC..  trans-101.2-172.3165.66689.6000110.3I149 D184 A185 N187 H209 D516I149-H182 HydrophobicContact CG2-CB 4.38Å; H182-D184 VanDerWaalsContact C-N 3.29Å; H182-D184 IonicContact CE1-OD2 3.66Å; H182-D184 PolarHBondContact ND1-N 2.84Å; H182-D184 IonicContact ND1-OD2 2.82Å; H182-D184 PolarHBondContact O-N 3.37Å; H182-A185 PolarHBondContact N-O 3.34Å; H182-A185 VanDerWaalsContact N-O 3.11Å; H182-A185 VanDerWaalsContact O-O 3.11Å; H182-N187 PolarHBondContact CD2-OD1 3.26Å; H182-N187 VanDerWaalsContact CD2-OD1 3.26Å; H182-N187 PolarHBondContact N-OD1 2.89Å; H182-H209 PolarHBondContact O-NE2 2.86Å; H182-D516 PolarHBondContact CD2-O 2.67Å; H182-D516 PolarHBondContact NE2-O 2.7Å
183K94.2Very high95.4Very high89 Ų8920.9 Ų20.939%0.38710%0.102SC..SBendtrans-54.5-43.7-174.4-173.4168.2-175.2149.20113.4H209 Q213 V216 D217K183-H209 PolarHBondContact O-NE2 3.31Å; K183-Q213 VanDerWaalsContact O-CG 3.23Å; K183-Q213 WeakPolarHBondContact O-CG 3.49Å; K183-Q213 PolarHBondContact O-NE2 3.21Å; K183-V216 HydrophobicContact CB-CG1 3.89Å; K183-D217 IonicContact NZ-OD1 2.63Å; K183-D217 PolarHBondContact NZ-OD1 3.09Å; K183-D217 IonicContact NZ-OD2 3.83Å
184D91.5Very high95.4Very high127 Ų12721.9 Ų21.968%0.67911%0.109SC*.SBendtrans-95.4-17.3-167.3-46.5-68.1000112.4H182H182-D184 VanDerWaalsContact C-N 3.29Å; H182-D184 IonicContact CE1-OD2 3.66Å; H182-D184 PolarHBondContact ND1-N 2.84Å; H182-D184 IonicContact ND1-OD2 2.82Å; H182-D184 PolarHBondContact O-N 3.37Å
185A91.9Very high95.4Very high11 Ų1118.4 Ų18.49%0.09110%0.096CC..  trans-158162-173.800000115.3G181 H182 H209G181-A185 WeakPolarHBondContact CA-O 3.33Å; H182-A185 PolarHBondContact N-O 3.34Å; H182-A185 VanDerWaalsContact N-O 3.11Å; H182-A185 VanDerWaalsContact O-O 3.11Å; A185-H209 PolarHBondContact O-NE2 3.49Å
186V93Very high95.3Very high0 Ų018.3 Ų18.30%010%0.096CC..EExtended strand (participates in β ladder)trans-88.2129.9172.3177.50000109.3V179 V189 I205 H209 M511 L518V179-V186 HydrophobicContact CG2-CG1 3.79Å; V179-V186 HydrophobicContact CG2-CG2 4.27Å; V186-V189 HydrophobicContact CG1-CG2 3.62Å; V186-I205 HydrophobicContact CG1-CG2 4.35Å; V186-I205 HydrophobicContact CG2-CG2 3.98Å; V186-H209 HydrophobicContact CG2-CB 4.03Å; V186-M511 HydrophobicContact CG1-CE 4.11Å; V186-L518 PolarHBondContact O-N 2.89Å
187N90.4Very high95.4Very high1 Ų118.6 Ų18.61%0.00510%0.099CC..EExtended strand (participates in β ladder)trans-103.7-30.2179.1-66.799.6000113.1P98 A180 G181 H182 I513 D516P98-N187 HydrophobicContact CB-CB 3.88Å; A180-N187 PolarHBondContact O-N 3.39Å; G181-N187 VanDerWaalsContact CA-OD1 3.26Å; G181-N187 WeakPolarHBondContact CA-OD1 3.46Å; H182-N187 PolarHBondContact CD2-OD1 3.26Å; H182-N187 VanDerWaalsContact CD2-OD1 3.26Å; H182-N187 PolarHBondContact N-OD1 2.89Å; N187-I513 HydrophobicContact CB-CD1 4.41Å; N187-I513 WeakPolarHBondContact O-CG1 3.46Å; N187-D516 PolarHBondContact ND2-O 2.96Å
188M92.6Very high95.3Very high0 Ų020.2 Ų20.20%011%0.107CC..EExtended strand (participates in β ladder)trans-150.1136.9-171.7-176.8-78.3-55.400109.9L94 R97 P98 M131 V179 A180 E190 M511L94-M188 HydrophobicContact CD1-CE 3.36Å; L94-M188 HydrophobicContact CD1-SD 3.43Å; L94-M188 WeakPolarHBondContact CD1-SD 3.44Å; L94-M188 HydrophobicContact CD2-CE 4.22Å; L94-M188 HydrophobicContact CG-CE 3.53Å; L94-M188 HydrophobicContact CG-SD 4.22Å; R97-M188 HydrophobicContact CB-CB 4.2Å; R97-M188 HydrophobicContact CB-CG 3.74Å; R97-M188 HydrophobicContact CG-CG 4.4Å; P98-M188 HydrophobicContact CB-CB 4.34Å; M131-M188 HydrophobicContact CE-CE 4.07Å; V179-M188 WeakPolarHBondContact CA-O 3.23Å; A180-M188 HydrophobicContact CB-CB 4.5Å; A180-M188 HydrophobicContact CB-CE 3.56Å; A180-M188 PolarHBondContact N-O 2.77Å; A180-M188 PolarHBondContact O-N 2.84Å; M188-E190 HydrophobicContact SD-CB 4.14Å; M188-M511 WeakPolarHBondContact CA-O 3.35Å
189V95.2Very high95.3Very high0 Ų024 Ų240%013%0.125CC..EExtended strand (participates in β ladder)trans-134.6136.3172.7177.30000108.9L177 E178 V179 V186 I205 I509 Q510 M511L177-V189 HydrophobicContact CD1-CG1 3.34Å; E178-V189 CarbonylContact O-C 3.51Å; E178-V189 WeakPolarHBondContact O-CA 3.27Å; V179-V189 HydrophobicContact CB-CG2 4.48Å; V179-V189 HydrophobicContact CG2-CG2 4.09Å; V186-V189 HydrophobicContact CG1-CG2 3.62Å; V189-I205 HydrophobicContact CG1-CD1 4.27Å; V189-I205 HydrophobicContact CG1-CG1 4.27Å; V189-I205 HydrophobicContact CG2-CD1 4.21Å; V189-I205 HydrophobicContact CG2-CG1 4.17Å; V189-I205 HydrophobicContact CG2-CG2 4.28Å; V189-I509 HydrophobicContact CB-CD1 4.46Å; V189-I509 HydrophobicContact CG1-CD1 3.3Å; V189-I509 HydrophobicContact CG1-CG1 3.96Å; V189-Q510 CarbonylContact O-C 3.6Å; V189-Q510 VanDerWaalsContact O-CA 3.3Å; V189-Q510 WeakPolarHBondContact O-CA 3.24Å; V189-M511 HydrophobicContact CB-CB 4.15Å; V189-M511 HydrophobicContact CB-CE 4.29Å; V189-M511 HydrophobicContact CG2-CE 3.8Å; V189-M511 PolarHBondContact N-O 3.41Å; V189-M511 PolarHBondContact O-N 2.91Å
190E96.3Very high95.4Very high8 Ų825.6 Ų25.64%0.03713%0.132CC..EExtended strand (participates in β ladder)trans-142.6125.6170.8-177.3157.3142.200108.7L94 R97 E178 M188 R413 I509 Q510L94-E190 HydrophobicContact CD1-CB 4.06Å; R97-E190 IonicContact CZ-OE2 3.33Å; R97-E190 IonicContact NH1-OE2 3.09Å; R97-E190 PolarHBondContact NH1-OE2 3.15Å; R97-E190 IonicContact NH2-OE2 2.8Å; E178-E190 WeakPolarHBondContact CA-O 3.28Å; E178-E190 HydrophobicContact CB-CB 4.49Å; E178-E190 WeakPolarHBondContact CB-O 3.23Å; E178-E190 PolarHBondContact N-O 3.28Å; E178-E190 PolarHBondContact O-N 2.65Å; M188-E190 HydrophobicContact SD-CB 4.14Å; E190-R413 IonicContact OE1-CZ 3.7Å; E190-R413 IonicContact OE1-NH1 3.76Å; E190-R413 PolarHBondContact OE1-NH1 3.38Å; E190-R413 IonicContact OE1-NH2 3.48Å; E190-R413 PolarHBondContact OE1-NH2 2.95Å; E190-R413 VanDerWaalsContact OE1-NH2 3.15Å; E190-I509 CarbonylContact C-O 3.58Å; E190-I509 WeakPolarHBondContact CA-O 3.44Å; E190-Q510 PolarHBondContact OE2-NE2 3.48Å
191A97.1Very high95.5Very high1 Ų125.6 Ų25.61%0.00813%0.132CC..EExtended strand (participates in β ladder)trans-143.7154.8-176.400000113.7L175 D176 L177 M201 R413 A508 I509L175-A191 HydrophobicContact CD1-CB 4.29Å; D176-A191 CarbonylContact O-C 3.49Å; D176-A191 WeakPolarHBondContact O-CA 3.09Å; L177-A191 HydrophobicContact CB-CB 4.06Å; L177-A191 HydrophobicContact CD1-CB 3.65Å; L177-A191 HydrophobicContact CG-CB 4.49Å; A191-M201 HydrophobicContact CB-CE 3.96Å; A191-M201 HydrophobicContact CB-SD 4.32Å; A191-R413 VanDerWaalsContact C-CD 3.44Å; A191-R413 VanDerWaalsContact O-CD 3.23Å; A191-R413 WeakPolarHBondContact O-CD 3.21Å; A191-A508 WeakPolarHBondContact O-CA 3.2Å; A191-A508 WeakPolarHBondContact O-CB 3.4Å; A191-I509 HydrophobicContact CB-CD1 4.14Å; A191-I509 HydrophobicContact CB-CG1 3.48Å; A191-I509 VanDerWaalsContact CB-CG1 3.48Å; A191-I509 PolarHBondContact N-O 3.39Å; A191-I509 PolarHBondContact O-N 3.46Å; A191-I509 VanDerWaalsContact O-N 3.11Å
192G97.1Very high95.6Very high0 Ų025.7 Ų25.70%013%0.132CC..EExtended strand (participates in β ladder)trans-128.4131.6165.300000109.4D176 R413 Y417 T507D176-G192 PolarHBondContact N-O 3.32Å; D176-G192 PolarHBondContact O-N 3.27Å; G192-R413 VanDerWaalsContact CA-CD 3.47Å; G192-Y417 VanDerWaalsContact C-CE2 3.48Å; G192-Y417 PolarHBondContact O-OH 3.14Å; G192-T507 CarbonylContact C-O 3.56Å; G192-T507 WeakPolarHBondContact CA-O 3.48Å
193A97.4Very high95.8Very high0 Ų027.2 Ų27.20%014%0.14CC..EExtended strand (participates in β ladder)trans-139.2147.8-173.600000113.2R174 L175 E195 I196 M201 Y417 I506 T507R174-A193 CarbonylContact O-C 3.25Å; R174-A193 VanDerWaalsContact O-CA 3.26Å; R174-A193 WeakPolarHBondContact O-CA 3.31Å; L175-A193 HydrophobicContact CD1-CB 3.87Å; A193-E195 VanDerWaalsContact C-N 3.33Å; A193-E195 PolarHBondContact O-N 3.26Å; A193-I196 HydrophobicContact CB-CB 3.89Å; A193-I196 HydrophobicContact CB-CG1 3.81Å; A193-M201 HydrophobicContact CB-CE 4.41Å; A193-Y417 VanDerWaalsContact C-CD2 3.45Å; A193-Y417 VanDerWaalsContact C-CE2 3.49Å; A193-Y417 WeakPolarHBondContact O-CD2 3.27Å; A193-Y417 WeakPolarHBondContact O-CE2 3.11Å; A193-I506 WeakPolarHBondContact CB-O 3.47Å; A193-T507 PolarHBondContact N-O 2.84Å; A193-T507 VanDerWaalsContact O-CA 3.27Å; A193-T507 WeakPolarHBondContact O-CA 3.29Å
194S96.3Very high96Very high36 Ų3623 Ų2325%0.25212%0.121SC..EExtended strand (participates in β ladder)trans-88.675.2169.3-1690000109.2R174R174-S194 PolarHBondContact O-N 3.04Å
195E96.8Very high96.3Very high22 Ų2216.9 Ų16.910%0.1039%0.089CC..EExtended strand (participates in β ladder)trans51.670.4178.6-60.2176.7115.600112.4R174 A193 K462 T502 E504 I506 T507R174-E195 PolarHBondContact NH2-O 3.25Å; A193-E195 VanDerWaalsContact C-N 3.33Å; A193-E195 PolarHBondContact O-N 3.26Å; E195-K462 VanDerWaalsContact OE2-CE 3.23Å; E195-K462 WeakPolarHBondContact OE2-CE 3.32Å; E195-K462 IonicContact OE2-NZ 2.7Å; E195-K462 PolarHBondContact OE2-NZ 3.49Å; E195-T502 HydrophobicContact CG-CG2 4.02Å; E195-T502 VanDerWaalsContact OE1-CB 3.28Å; E195-T502 WeakPolarHBondContact OE1-CB 3.35Å; E195-T502 VanDerWaalsContact OE1-CG2 3.27Å; E195-T502 WeakPolarHBondContact OE1-CG2 3.2Å; E195-T502 PolarHBondContact OE1-OG1 3.17Å; E195-E504 HydrophobicContact CB-CB 4.5Å; E195-I506 WeakPolarHBondContact CA-O 3.49Å; E195-I506 PolarHBondContact N-O 2.78Å; E195-T507 HydrophobicContact CG-CG2 4.3Å
196I97.3Very high96.6Very high0 Ų017.7 Ų17.70%09%0.09CC..EExtended strand (participates in β ladder)trans-94.3137.9174.9-74.8-75.7000109.3Y156 R174 L175 A193 E200 M201 G505 I506Y156-I196 HydrophobicContact CD1-CD1 3.62Å; Y156-I196 HydrophobicContact CE1-CD1 4.19Å; Y156-I196 HydrophobicContact CG-CD1 4.31Å; R174-I196 HydrophobicContact CB-CD1 3.97Å; R174-I196 HydrophobicContact CB-CG1 4.36Å; L175-I196 HydrophobicContact CB-CG1 4.4Å; A193-I196 HydrophobicContact CB-CB 3.89Å; A193-I196 HydrophobicContact CB-CG1 3.81Å; I196-E200 HydrophobicContact CG2-CB 3.54Å; I196-M201 HydrophobicContact CG2-CB 4.21Å; I196-G505 CarbonylContact O-C 3.49Å; I196-G505 WeakPolarHBondContact O-CA 3.22Å; I196-I506 PolarHBondContact N-O 2.8Å; I196-I506 VanDerWaalsContact N-O 3.1Å; I196-I506 WeakPolarHBondContact O-CB 3.27Å; I196-I506 PolarHBondContact O-N 3.16Å
197T97.7Very high96.9Very high53 Ų5320.9 Ų20.933%0.32510%0.104SC..  trans-67.9159.1179.362.30000111.9Q199 E200 M201T197-Q199 PolarHBondContact O-N 3.09Å; T197-E200 WeakPolarHBondContact CB-OE2 3.44Å; T197-E200 WeakPolarHBondContact CG2-OE2 3.12Å; T197-E200 PolarHBondContact N-OE2 3.11Å; T197-E200 PolarHBondContact O-N 3.5Å; T197-E200 WeakPolarHBondContact OG1-CB 3.45Å; T197-E200 WeakPolarHBondContact OG1-CG 3.35Å; T197-E200 PolarHBondContact OG1-N 3.19Å; T197-E200 PolarHBondContact OG1-OE2 3.25Å; T197-M201 WeakPolarHBondContact O-CB 3.31Å; T197-M201 PolarHBondContact O-N 2.98Å
198E97.7Very high97.2Very high33 Ų3320.9 Ų20.915%0.15410%0.104CC..Hα-helixtrans-57.9-38.6176.4-69.866.8-15500111.6M201 L202 I506 L527 R531 R534E198-M201 PolarHBondContact O-N 3.27Å; E198-L202 WeakPolarHBondContact O-CB 3.44Å; E198-L202 PolarHBondContact O-N 3.22Å; E198-I506 HydrophobicContact CG-CD1 4.16Å; E198-L527 HydrophobicContact CB-CB 4.3Å; E198-L527 HydrophobicContact CG-CB 4.29Å; E198-R531 HydrophobicContact CG-CB 4.11Å; E198-R531 HydrophobicContact CG-CG 4.38Å; E198-R531 WeakPolarHBondContact OE1-CG 3.48Å; E198-R531 VanDerWaalsContact OE2-CD 3.28Å; E198-R531 WeakPolarHBondContact OE2-CD 3.31Å; E198-R534 IonicContact OE1-CZ 2.76Å; E198-R534 IonicContact OE1-NH2 3.21Å; E198-R534 PolarHBondContact OE1-NH2 2.63Å
199Q97.5Very high97.5Very high94 Ų9421.4 Ų21.444%0.43911%0.107SC..Hα-helixtrans-67.4-48.1177.8-169.366.132.600111.9T197 M201 L202 E203T197-Q199 PolarHBondContact O-N 3.09Å; Q199-M201 PolarHBondContact O-N 2.96Å; Q199-L202 PolarHBondContact O-N 2.83Å; Q199-E203 PolarHBondContact NE2-OE1 3.3Å; Q199-E203 WeakPolarHBondContact O-CG 3.32Å; Q199-E203 PolarHBondContact O-N 2.81Å
200E98Very high97.6Very high33 Ų3327.6 Ų27.615%0.15414%0.136CC..Hα-helixtrans-59-40177-76.2166.7139.300110.9Y156 Y161 R174 I196 T197 A204Y156-E200 WeakPolarHBondContact CE1-OE1 3.48Å; Y156-E200 PolarHBondContact OH-OE1 2.94Å; Y161-E200 WeakPolarHBondContact OH-CA 3.45Å; Y161-E200 PolarHBondContact OH-O 2.95Å; Y161-E200 VanDerWaalsContact OH-O 3.12Å; R174-E200 IonicContact NH1-OE1 3.95Å; R174-E200 PolarHBondContact NH1-OE1 3.17Å; I196-E200 HydrophobicContact CG2-CB 3.54Å; T197-E200 WeakPolarHBondContact CB-OE2 3.44Å; T197-E200 WeakPolarHBondContact CG2-OE2 3.12Å; T197-E200 PolarHBondContact N-OE2 3.11Å; T197-E200 PolarHBondContact O-N 3.5Å; T197-E200 WeakPolarHBondContact OG1-CB 3.45Å; T197-E200 WeakPolarHBondContact OG1-CG 3.35Å; T197-E200 PolarHBondContact OG1-N 3.19Å; T197-E200 PolarHBondContact OG1-OE2 3.25Å; E200-A204 WeakPolarHBondContact O-CB 3.43Å; E200-A204 PolarHBondContact O-N 3.33Å
201M98.2Very high97.7Very high0 Ų028.7 Ų28.70%014%0.141CC..Hα-helixtrans-64-45.1175.5-175.462.377.300112.1L175 L177 A191 A193 I196 T197 E198 Q199 A204 I205 I506 I509L175-M201 HydrophobicContact CD1-CE 3.61Å; L175-M201 HydrophobicContact CD1-SD 4.08Å; L177-M201 HydrophobicContact CD1-SD 4.16Å; L177-M201 HydrophobicContact CD2-SD 4.3Å; A191-M201 HydrophobicContact CB-CE 3.96Å; A191-M201 HydrophobicContact CB-SD 4.32Å; A193-M201 HydrophobicContact CB-CE 4.41Å; I196-M201 HydrophobicContact CG2-CB 4.21Å; T197-M201 WeakPolarHBondContact O-CB 3.31Å; T197-M201 PolarHBondContact O-N 2.98Å; E198-M201 PolarHBondContact O-N 3.27Å; Q199-M201 PolarHBondContact O-N 2.96Å; M201-A204 WeakPolarHBondContact O-CB 3.45Å; M201-A204 PolarHBondContact O-N 2.58Å; M201-I205 HydrophobicContact CG-CD1 4.23Å; M201-I205 WeakPolarHBondContact O-CG1 3.44Å; M201-I205 PolarHBondContact O-N 2.65Å; M201-I506 HydrophobicContact CB-CD1 3.93Å; M201-I506 HydrophobicContact CE-CB 4.45Å; M201-I506 HydrophobicContact CE-CG2 3.86Å; M201-I506 HydrophobicContact CG-CD1 4.07Å; M201-I509 HydrophobicContact CE-CD1 3.95Å; M201-I509 HydrophobicContact CE-CG1 4.08Å; M201-I509 HydrophobicContact CG-CD1 3.72Å; M201-I509 HydrophobicContact SD-CD1 3.48Å; M201-I509 WeakPolarHBondContact SD-CD1 3.49Å; M201-I509 HydrophobicContact SD-CG1 4.23Å
202L98Very high97.7Very high2 Ų228.7 Ų28.71%0.0114%0.14CC..Hα-helixtrans-59.7-48.3177.4-17770.8000111.2E198 Q199 A204 I205 F206 R520 I523 E524 L527E198-L202 WeakPolarHBondContact O-CB 3.44Å; E198-L202 PolarHBondContact O-N 3.22Å; Q199-L202 PolarHBondContact O-N 2.83Å; L202-A204 VanDerWaalsContact C-N 3.3Å; L202-A204 PolarHBondContact O-N 2.84Å; L202-I205 PolarHBondContact O-N 2.95Å; L202-F206 HydrophobicContact CD1-CD2 4.05Å; L202-F206 HydrophobicContact CD1-CE2 3.77Å; L202-F206 HydrophobicContact CG-CD2 4.36Å; L202-F206 WeakPolarHBondContact O-CD2 3.43Å; L202-F206 PolarHBondContact O-N 2.99Å; L202-R520 HydrophobicContact CD1-CG 4.37Å; L202-I523 HydrophobicContact CD1-CB 4.14Å; L202-I523 HydrophobicContact CD1-CG2 3.74Å; L202-E524 HydrophobicContact CD1-CB 4.22Å; L202-E524 HydrophobicContact CD2-CB 3.76Å; L202-E524 HydrophobicContact CD2-CG 3.82Å; L202-L527 HydrophobicContact CB-CD1 4.1Å; L202-L527 HydrophobicContact CD1-CD1 4.29Å
203E98.3Very high97.7Very high61 Ų6132 Ų3229%0.28516%0.156SC..Hα-helixtrans-62-38.8176.8-63.1-49.1150.800111.8Y161 Q199 F206 F207 R520Y161-E203 HydrophobicContact CE2-CB 3.78Å; Y161-E203 WeakPolarHBondContact OH-CB 3.49Å; Q199-E203 PolarHBondContact NE2-OE1 3.3Å; Q199-E203 WeakPolarHBondContact O-CG 3.32Å; Q199-E203 PolarHBondContact O-N 2.81Å; E203-F206 PolarHBondContact O-N 3.44Å; E203-F207 WeakPolarHBondContact O-CB 3.49Å; E203-F207 PolarHBondContact O-N 3.17Å; E203-R520 IonicContact OE1-CZ 3.52Å; E203-R520 IonicContact OE1-NH2 3.43Å; E203-R520 PolarHBondContact OE1-NH2 2.76Å; E203-R520 IonicContact OE2-CZ 3.05Å; E203-R520 IonicContact OE2-NH1 3.57Å; E203-R520 IonicContact OE2-NH2 2.76Å; E203-R520 PolarHBondContact OE2-NH2 2.91Å
204A98.4Very high97.8Very high0 Ų036.2 Ų36.20%017%0.172CC..Hα-helixtrans-63.1-41.5177.600000112.5V154 Y161 L175 L177 E200 M201 L202 G208V154-A204 HydrophobicContact CG1-CB 4.21Å; Y161-A204 HydrophobicContact CD1-CB 3.77Å; Y161-A204 HydrophobicContact CE1-CB 3.6Å; L175-A204 HydrophobicContact CD2-CB 3.5Å; L175-A204 VanDerWaalsContact CD2-CB 3.5Å; L177-A204 HydrophobicContact CD2-CB 3.52Å; E200-A204 WeakPolarHBondContact O-CB 3.43Å; E200-A204 PolarHBondContact O-N 3.33Å; M201-A204 WeakPolarHBondContact O-CB 3.45Å; M201-A204 PolarHBondContact O-N 2.58Å; L202-A204 VanDerWaalsContact C-N 3.3Å; L202-A204 PolarHBondContact O-N 2.84Å; A204-G208 PolarHBondContact O-N 2.81Å
205I98.1Very high97.9Very high0 Ų034.5 Ų34.50%016%0.16CC..Hα-helixtrans-58.8-48.9176.4-70.5165.7000110.2L177 V179 V186 V189 M201 L202 G208 H209 I509 I523L177-I205 HydrophobicContact CD1-CG1 4.29Å; L177-I205 HydrophobicContact CD2-CG1 3.95Å; V179-I205 HydrophobicContact CG2-CG2 4.31Å; V186-I205 HydrophobicContact CG1-CG2 4.35Å; V186-I205 HydrophobicContact CG2-CG2 3.98Å; V189-I205 HydrophobicContact CG1-CD1 4.27Å; V189-I205 HydrophobicContact CG1-CG1 4.27Å; V189-I205 HydrophobicContact CG2-CD1 4.21Å; V189-I205 HydrophobicContact CG2-CG1 4.17Å; V189-I205 HydrophobicContact CG2-CG2 4.28Å; M201-I205 HydrophobicContact CG-CD1 4.23Å; M201-I205 WeakPolarHBondContact O-CG1 3.44Å; M201-I205 PolarHBondContact O-N 2.65Å; L202-I205 PolarHBondContact O-N 2.95Å; I205-G208 PolarHBondContact O-N 2.83Å; I205-H209 PolarHBondContact O-N 2.96Å; I205-I509 HydrophobicContact CD1-CD1 4.3Å; I205-I523 HydrophobicContact CD1-CG2 4.19Å
206F97.6Very high97.9Very high27 Ų2733.8 Ų33.812%0.11816%0.157CC..Hα-helixtrans-76.8-30.9-177-77.5-75.3000113.5L202 E203 G208 H209 E210 R520 I523L202-F206 HydrophobicContact CD1-CD2 4.05Å; L202-F206 HydrophobicContact CD1-CE2 3.77Å; L202-F206 HydrophobicContact CG-CD2 4.36Å; L202-F206 WeakPolarHBondContact O-CD2 3.43Å; L202-F206 PolarHBondContact O-N 2.99Å; E203-F206 PolarHBondContact O-N 3.44Å; F206-G208 VanDerWaalsContact C-N 3.29Å; F206-G208 PolarHBondContact O-N 3.01Å; F206-H209 HydrophobicContact CD1-CB 4.37Å; F206-H209 PolarHBondContact O-N 2.88Å; F206-H209 VanDerWaalsContact O-N 3.16Å; F206-E210 WeakPolarHBondContact O-CG 3.47Å; F206-E210 PolarHBondContact O-N 3.42Å; F206-R520 HydrophobicContact CD2-CB 4.34Å; F206-R520 HydrophobicContact CD2-CG 3.92Å; F206-R520 HydrophobicContact CE1-CB 3.97Å; F206-R520 HydrophobicContact CE2-CB 3.61Å; F206-R520 HydrophobicContact CE2-CG 3.52Å; F206-R520 HydrophobicContact CZ-CB 3.41Å; F206-R520 VanDerWaalsContact CZ-CB 3.41Å; F206-R520 HydrophobicContact CZ-CG 3.89Å; F206-I523 HydrophobicContact CE2-CD1 4.23Å; F206-I523 HydrophobicContact CZ-CD1 4.05Å
207F98.3Very high98Very high68 Ų6836.6 Ų36.630%0.29817%0.172SC..Hα-helixtrans-59.7-41.8167.9177.4-98.9000111.4V154 Y161 I163 E203V154-F207 HydrophobicContact CG1-CD1 3.87Å; V154-F207 HydrophobicContact CG1-CE1 4.4Å; Y161-F207 VanDerWaalsContact CB-CE1 3.43Å; Y161-F207 HydrophobicContact CD2-CB 4.41Å; Y161-F207 HydrophobicContact CD2-CG 4.35Å; Y161-F207 HydrophobicContact CG-CB 4.45Å; Y161-F207 HydrophobicContact CG-CD1 4.2Å; Y161-F207 HydrophobicContact CG-CG 4.23Å; Y161-F207 WeakPolarHBondContact O-CZ 3.35Å; I163-F207 HydrophobicContact CD1-CD1 3.59Å; I163-F207 HydrophobicContact CD1-CE1 3.34Å; I163-F207 HydrophobicContact CD1-CZ 4.28Å; I163-F207 HydrophobicContact CG1-CD1 4.34Å; I163-F207 HydrophobicContact CG1-CE1 3.61Å; I163-F207 HydrophobicContact CG1-CZ 4.14Å; E203-F207 WeakPolarHBondContact O-CB 3.49Å; E203-F207 PolarHBondContact O-N 3.17Å
208G98.1Very high98Very high0 Ų034.9 Ų34.90%016%0.16CC..Hα-helixtrans-66.3-38.3172.100000113A204 I205 F206 E210 E211 I212A204-G208 PolarHBondContact O-N 2.81Å; I205-G208 PolarHBondContact O-N 2.83Å; F206-G208 VanDerWaalsContact C-N 3.29Å; F206-G208 PolarHBondContact O-N 3.01Å; G208-E210 PolarHBondContact O-N 2.79Å; G208-E211 PolarHBondContact O-N 2.95Å; G208-I212 WeakPolarHBondContact O-CG1 3.45Å; G208-I212 PolarHBondContact O-N 2.83Å
209H97.5Very high98.1Very high12 Ų1233.3 Ų33.36%0.05615%0.153CC..Hα-helixtrans-63.3-37.1178.3-170.9-138.6000113.3H182 K183 A185 V186 I205 F206 E211 I212 Q213H182-H209 PolarHBondContact O-NE2 2.86Å; K183-H209 PolarHBondContact O-NE2 3.31Å; A185-H209 PolarHBondContact O-NE2 3.49Å; V186-H209 HydrophobicContact CG2-CB 4.03Å; I205-H209 PolarHBondContact O-N 2.96Å; F206-H209 HydrophobicContact CD1-CB 4.37Å; F206-H209 PolarHBondContact O-N 2.88Å; F206-H209 VanDerWaalsContact O-N 3.16Å; H209-E211 VanDerWaalsContact C-N 3.3Å; H209-E211 PolarHBondContact O-N 3.34Å; H209-I212 WeakPolarHBondContact O-CB 3.38Å; H209-I212 PolarHBondContact O-N 2.93Å; H209-I212 VanDerWaalsContact O-N 3.15Å; H209-Q213 WeakPolarHBondContact O-CG 3.26Å; H209-Q213 PolarHBondContact O-N 3Å
210E97.6Very high98.1Very high130 Ų13032.1 Ų32.161%0.60715%0.147SC*.Hα-helixtrans-57.6-42174.3-73.4179.9-174.900112.1F206 G208 Q213 R214F206-E210 WeakPolarHBondContact O-CG 3.47Å; F206-E210 PolarHBondContact O-N 3.42Å; G208-E210 PolarHBondContact O-N 2.79Å; E210-Q213 PolarHBondContact O-N 3.22Å; E210-R214 PolarHBondContact O-N 2.9Å
211E98Very high98.1Very high31 Ų3136.5 Ų36.515%0.14517%0.167CC..Hα-helixtrans-71.9-36.8176.1177.769.5165.100112V152 I163 G208 H209 Q213 R214 L215V152-E211 HydrophobicContact CG1-CB 4.36Å; V152-E211 HydrophobicContact CG1-CG 3.85Å; I163-E211 HydrophobicContact CD1-CB 4.26Å; I163-E211 HydrophobicContact CG1-CB 4.25Å; I163-E211 HydrophobicContact CG1-CG 4.38Å; I163-E211 HydrophobicContact CG2-CG 4.04Å; G208-E211 PolarHBondContact O-N 2.95Å; H209-E211 VanDerWaalsContact C-N 3.3Å; H209-E211 PolarHBondContact O-N 3.34Å; E211-Q213 VanDerWaalsContact C-N 3.3Å; E211-Q213 PolarHBondContact O-N 2.9Å; E211-R214 VanDerWaalsContact CD-NH2 3.35Å; E211-R214 WeakPolarHBondContact O-CB 3.11Å; E211-R214 PolarHBondContact O-N 3.5Å; E211-R214 IonicContact OE1-CZ 2.81Å; E211-R214 IonicContact OE1-NE 3.67Å; E211-R214 IonicContact OE1-NH2 3.46Å; E211-R214 PolarHBondContact OE1-NH2 3.43Å; E211-R214 IonicContact OE2-CZ 3.49Å; E211-R214 IonicContact OE2-NE 3.08Å; E211-R214 PolarHBondContact OE2-NE 2.99Å; E211-R214 IonicContact OE2-NH2 3.09Å; E211-R214 PolarHBondContact OE2-NH2 3.16Å; E211-L215 HydrophobicContact CG-CD1 4.13Å; E211-L215 WeakPolarHBondContact O-CG 3.32Å; E211-L215 PolarHBondContact O-N 2.86Å
212I97.9Very high98.1Very high0 Ų036.6 Ų36.60%017%0.168CC..Hα-helixtrans-57.2-44.6173.5-72.6166000110.5A150 V152 V179 G181 G208 H209 R214 L215 V216A150-I212 HydrophobicContact CB-CG1 4.46Å; A150-I212 HydrophobicContact CB-CG2 4.15Å; V152-I212 HydrophobicContact CG1-CG1 4.3Å; V152-I212 HydrophobicContact CG2-CD1 4.31Å; V152-I212 HydrophobicContact CG2-CG1 4.22Å; V179-I212 HydrophobicContact CG1-CD1 4.12Å; V179-I212 HydrophobicContact CG2-CD1 4.08Å; V179-I212 WeakPolarHBondContact O-CD1 3.24Å; G181-I212 VanDerWaalsContact O-CG2 3.25Å; G181-I212 WeakPolarHBondContact O-CG2 3.48Å; G208-I212 WeakPolarHBondContact O-CG1 3.45Å; G208-I212 PolarHBondContact O-N 2.83Å; H209-I212 WeakPolarHBondContact O-CB 3.38Å; H209-I212 PolarHBondContact O-N 2.93Å; H209-I212 VanDerWaalsContact O-N 3.15Å; I212-R214 VanDerWaalsContact C-N 3.32Å; I212-R214 PolarHBondContact O-N 3.31Å; I212-L215 PolarHBondContact O-N 3.36Å; I212-L215 VanDerWaalsContact O-N 3.16Å; I212-V216 HydrophobicContact CG2-CG2 4.09Å; I212-V216 WeakPolarHBondContact O-CB 3.1Å; I212-V216 VanDerWaalsContact O-CG2 3.29Å; I212-V216 WeakPolarHBondContact O-CG2 3.13Å; I212-V216 PolarHBondContact O-N 2.83Å
213Q98Very high98.1Very high69 Ų6937.6 Ų37.632%0.32217%0.174SC..Hα-helixtrans-56.5-46.1177.1-73.9177.2-27.400111.9K183 H209 E210 E211 L215 V216 D217K183-Q213 VanDerWaalsContact O-CG 3.23Å; K183-Q213 WeakPolarHBondContact O-CG 3.49Å; K183-Q213 PolarHBondContact O-NE2 3.21Å; H209-Q213 WeakPolarHBondContact O-CG 3.26Å; H209-Q213 PolarHBondContact O-N 3Å; E210-Q213 PolarHBondContact O-N 3.22Å; E211-Q213 VanDerWaalsContact C-N 3.3Å; E211-Q213 PolarHBondContact O-N 2.9Å; Q213-L215 VanDerWaalsContact C-N 3.35Å; Q213-L215 PolarHBondContact O-N 3.37Å; Q213-V216 PolarHBondContact O-N 3.05Å; Q213-D217 WeakPolarHBondContact O-CB 3.4Å; Q213-D217 PolarHBondContact O-N 3.41Å
214R97.9Very high98.1Very high89 Ų8939.1 Ų39.134%0.33618%0.184SC..Hα-helixtrans-61.5-42.1177.1-170.5-171.668.582.77.3112.1T10 E11 E210 E211 I212 D217 F218T10-R214 PolarHBondContact OG1-NH1 2.96Å; E11-R214 VanDerWaalsContact O-CZ 3.24Å; E11-R214 PolarHBondContact O-NH1 3.39Å; E11-R214 PolarHBondContact O-NH2 3.39Å; E210-R214 PolarHBondContact O-N 2.9Å; E211-R214 VanDerWaalsContact CD-NH2 3.35Å; E211-R214 WeakPolarHBondContact O-CB 3.11Å; E211-R214 PolarHBondContact O-N 3.5Å; E211-R214 IonicContact OE1-CZ 2.81Å; E211-R214 IonicContact OE1-NE 3.67Å; E211-R214 IonicContact OE1-NH2 3.46Å; E211-R214 PolarHBondContact OE1-NH2 3.43Å; E211-R214 IonicContact OE2-CZ 3.49Å; E211-R214 IonicContact OE2-NE 3.08Å; E211-R214 PolarHBondContact OE2-NE 2.99Å; E211-R214 IonicContact OE2-NH2 3.09Å; E211-R214 PolarHBondContact OE2-NH2 3.16Å; I212-R214 VanDerWaalsContact C-N 3.32Å; I212-R214 PolarHBondContact O-N 3.31Å; R214-D217 PolarHBondContact O-N 3.35Å; R214-F218 PolarHBondContact O-N 3.49Å; R214-F218 VanDerWaalsContact O-N 3.07Å
215L98.4Very high98Very high1 Ų144.2 Ų44.21%0.00521%0.208CC..Hα-helixtrans-69.7-38.5178.8-68167.8000112.1W12 L17 I132 A150 V152 E211 I212 Q213 F218 Q219W12-L215 HydrophobicContact CB-CD2 4.32Å; W12-L215 HydrophobicContact CD2-CD1 4.35Å; W12-L215 HydrophobicContact CD2-CD2 4.37Å; W12-L215 HydrophobicContact CG-CD1 4.38Å; W12-L215 HydrophobicContact CG-CD2 4.05Å; W12-L215 HydrophobicContact CZ2-CD1 4.21Å; L17-L215 HydrophobicContact CD2-CD2 3.96Å; I132-L215 HydrophobicContact CD1-CD1 4.24Å; I132-L215 HydrophobicContact CD1-CD2 4.31Å; A150-L215 HydrophobicContact CB-CB 3.63Å; A150-L215 HydrophobicContact CB-CD1 4.04Å; V152-L215 HydrophobicContact CG1-CD1 3.99Å; E211-L215 HydrophobicContact CG-CD1 4.13Å; E211-L215 WeakPolarHBondContact O-CG 3.32Å; E211-L215 PolarHBondContact O-N 2.86Å; I212-L215 PolarHBondContact O-N 3.36Å; I212-L215 VanDerWaalsContact O-N 3.16Å; Q213-L215 VanDerWaalsContact C-N 3.35Å; Q213-L215 PolarHBondContact O-N 3.37Å; L215-F218 PolarHBondContact O-N 2.94Å; L215-Q219 WeakPolarHBondContact O-CG 3.47Å; L215-Q219 PolarHBondContact O-N 3.05Å; L215-Q219 PolarHBondContact O-NE2 3.36Å
216V98.2Very high97.9Very high6 Ų646 Ų464%0.03622%0.217CC..Hα-helixtrans-63.1-44.2173.8164.10000110.4P148 A150 K183 I212 Q213 F218 Q219 Q220P148-V216 HydrophobicContact CG-CG1 4.12Å; A150-V216 HydrophobicContact CB-CG2 4.19Å; K183-V216 HydrophobicContact CB-CG1 3.89Å; I212-V216 HydrophobicContact CG2-CG2 4.09Å; I212-V216 WeakPolarHBondContact O-CB 3.1Å; I212-V216 VanDerWaalsContact O-CG2 3.29Å; I212-V216 WeakPolarHBondContact O-CG2 3.13Å; I212-V216 PolarHBondContact O-N 2.83Å; Q213-V216 PolarHBondContact O-N 3.05Å; V216-F218 VanDerWaalsContact C-N 3.31Å; V216-F218 PolarHBondContact O-N 3.46Å; V216-Q219 WeakPolarHBondContact O-CB 3.28Å; V216-Q219 PolarHBondContact O-N 3.07Å; V216-Q219 VanDerWaalsContact O-N 3.16Å; V216-Q220 PolarHBondContact O-N 3.37Å
217D98.4Very high97.8Very high59 Ų5952.1 Ų52.132%0.31625%0.246SC..Hα-helixtrans-61.6-38.8175.2-78.9-15.8000112.1K183 Q213 R214 Q220 Q221K183-D217 IonicContact NZ-OD1 2.63Å; K183-D217 PolarHBondContact NZ-OD1 3.09Å; K183-D217 IonicContact NZ-OD2 3.83Å; Q213-D217 WeakPolarHBondContact O-CB 3.4Å; Q213-D217 PolarHBondContact O-N 3.41Å; R214-D217 PolarHBondContact O-N 3.35Å; D217-Q220 PolarHBondContact O-N 3.05Å; D217-Q221 WeakPolarHBondContact O-CG 3.31Å; D217-Q221 PolarHBondContact O-N 3.33Å; D217-Q221 VanDerWaalsContact O-N 3.08Å
218F98.6Very high97.6Very high17 Ų1750.4 Ų50.48%0.07524%0.242CC..Hα-helixtrans-64-44173.2172.7-114.2000112.2F8 K9 T10 L17 I19 R214 L215 V216 Q220 Q221 I222F8-F218 HydrophobicContact CB-CE2 4.26Å; F8-F218 HydrophobicContact CB-CZ 3.86Å; K9-F218 WeakPolarHBondContact O-CE2 3.33Å; T10-F218 HydrophobicContact CG2-CD1 3.56Å; T10-F218 HydrophobicContact CG2-CD2 4.13Å; T10-F218 HydrophobicContact CG2-CE1 3.52Å; T10-F218 HydrophobicContact CG2-CE2 4.11Å; T10-F218 HydrophobicContact CG2-CG 3.86Å; T10-F218 HydrophobicContact CG2-CZ 3.8Å; L17-F218 HydrophobicContact CD2-CE1 4.47Å; I19-F218 HydrophobicContact CD1-CD1 4.45Å; I19-F218 HydrophobicContact CD1-CE1 3.83Å; I19-F218 HydrophobicContact CG1-CE1 4.23Å; R214-F218 PolarHBondContact O-N 3.49Å; R214-F218 VanDerWaalsContact O-N 3.07Å; L215-F218 PolarHBondContact O-N 2.94Å; V216-F218 VanDerWaalsContact C-N 3.31Å; V216-F218 PolarHBondContact O-N 3.46Å; F218-Q220 VanDerWaalsContact C-N 3.32Å; F218-Q220 PolarHBondContact O-N 3.49Å; F218-Q221 WeakPolarHBondContact O-CB 3.43Å; F218-Q221 PolarHBondContact O-N 2.93Å; F218-I222 HydrophobicContact CD1-CD1 4.3Å; F218-I222 HydrophobicContact CE1-CD1 3.8Å; F218-I222 HydrophobicContact CE2-CD1 4.34Å; F218-I222 HydrophobicContact CZ-CD1 3.83Å; F218-I222 WeakPolarHBondContact O-CG1 3.49Å; F218-I222 PolarHBondContact O-N 2.81Å
219Q98.7Very high97.4Very high1 Ų156.5 Ų56.51%0.00528%0.278CS..Hα-helixtrans-61.4-42175-72178.184.800111.5S135 M136 P148 I149 L215 V216 Q221 I222 V223S135-Q219 VanDerWaalsContact CB-OE1 3.32Å; S135-Q219 PolarHBondContact OG-OE1 2.86Å; M136-Q219 HydrophobicContact CG-CB 4.48Å; M136-Q219 HydrophobicContact CG-CG 3.81Å; M136-Q219 HydrophobicContact SD-CB 3.48Å; M136-Q219 WeakPolarHBondContact SD-CB 3.45Å; M136-Q219 HydrophobicContact SD-CG 3.46Å; M136-Q219 WeakPolarHBondContact SD-CG 3.4Å; P148-Q219 HydrophobicContact CB-CB 3.79Å; P148-Q219 HydrophobicContact CB-CG 4.44Å; P148-Q219 HydrophobicContact CG-CB 3.67Å; I149-Q219 PolarHBondContact O-NE2 3.01Å; I149-Q219 PolarHBondContact O-OE1 3.35Å; L215-Q219 WeakPolarHBondContact O-CG 3.47Å; L215-Q219 PolarHBondContact O-N 3.05Å; L215-Q219 PolarHBondContact O-NE2 3.36Å; V216-Q219 WeakPolarHBondContact O-CB 3.28Å; V216-Q219 PolarHBondContact O-N 3.07Å; V216-Q219 VanDerWaalsContact O-N 3.16Å; Q219-Q221 VanDerWaalsContact C-N 3.33Å; Q219-Q221 PolarHBondContact O-N 3.48Å; Q219-I222 WeakPolarHBondContact O-CA 3.48Å; Q219-I222 WeakPolarHBondContact O-CB 3.4Å; Q219-I222 PolarHBondContact O-N 3.26Å; Q219-V223 WeakPolarHBondContact O-CG2 3.47Å; Q219-V223 PolarHBondContact O-N 2.85Å
220Q98.2Very high97.4Very high68 Ų6859.3 Ų59.332%0.31829%0.291SS..Hα-helixtrans-60.9-41.1177.9-170.459.247.600111.7V216 D217 F218 I222 V223 D224V216-Q220 PolarHBondContact O-N 3.37Å; D217-Q220 PolarHBondContact O-N 3.05Å; F218-Q220 VanDerWaalsContact C-N 3.32Å; F218-Q220 PolarHBondContact O-N 3.49Å; Q220-I222 PolarHBondContact O-N 3.31Å; Q220-V223 PolarHBondContact O-N 3.48Å; Q220-V223 VanDerWaalsContact O-N 3.1Å; Q220-D224 PolarHBondContact NE2-OD1 2.97Å; Q220-D224 WeakPolarHBondContact O-CB 3.42Å; Q220-D224 PolarHBondContact O-N 2.85Å
221Q98.3Very high97.1Very high125 Ų12556.9 Ų56.958%0.58428%0.279SS*.Hα-helixtrans-58.3-35.8173.8-69166.53600112.6D217 F218 Q219 H225D217-Q221 WeakPolarHBondContact O-CG 3.31Å; D217-Q221 PolarHBondContact O-N 3.33Å; D217-Q221 VanDerWaalsContact O-N 3.08Å; F218-Q221 WeakPolarHBondContact O-CB 3.43Å; F218-Q221 PolarHBondContact O-N 2.93Å; Q219-Q221 VanDerWaalsContact C-N 3.33Å; Q219-Q221 PolarHBondContact O-N 3.48Å; Q221-H225 WeakPolarHBondContact O-CB 3.36Å; Q221-H225 PolarHBondContact O-N 3.42Å; Q221-H225 VanDerWaalsContact O-N 3.07Å
222I98.2Very high96.8Very high2 Ų263 Ų631%0.0131%0.308CS..Hα-helixtrans-69.9-44.5176.1-58.7171.4000110.4F8 I19 M136 F218 Q219 Q220 D224 H225 I226F8-I222 HydrophobicContact CB-CD1 3.69Å; F8-I222 HydrophobicContact CB-CG1 3.83Å; F8-I222 HydrophobicContact CD1-CG1 3.85Å; F8-I222 HydrophobicContact CD1-CG2 4.46Å; F8-I222 HydrophobicContact CD2-CB 4.46Å; F8-I222 HydrophobicContact CD2-CD1 4.1Å; F8-I222 HydrophobicContact CD2-CG1 3.99Å; F8-I222 HydrophobicContact CD2-CG2 3.71Å; F8-I222 HydrophobicContact CE1-CG1 4.41Å; F8-I222 HydrophobicContact CE1-CG2 4.33Å; F8-I222 HydrophobicContact CE2-CG2 3.57Å; F8-I222 HydrophobicContact CG-CB 4.45Å; F8-I222 HydrophobicContact CG-CD1 3.89Å; F8-I222 HydrophobicContact CG-CG1 3.61Å; F8-I222 HydrophobicContact CG-CG2 4.17Å; F8-I222 HydrophobicContact CZ-CG2 3.9Å; I19-I222 HydrophobicContact CB-CD1 4.17Å; I19-I222 HydrophobicContact CD1-CD1 4.04Å; I19-I222 HydrophobicContact CG2-CD1 4.37Å; M136-I222 HydrophobicContact CE-CB 3.68Å; M136-I222 HydrophobicContact CE-CD1 3.94Å; M136-I222 HydrophobicContact CE-CG1 4.42Å; M136-I222 HydrophobicContact CE-CG2 3.4Å; F218-I222 HydrophobicContact CD1-CD1 4.3Å; F218-I222 HydrophobicContact CE1-CD1 3.8Å; F218-I222 HydrophobicContact CE2-CD1 4.34Å; F218-I222 HydrophobicContact CZ-CD1 3.83Å; F218-I222 WeakPolarHBondContact O-CG1 3.49Å; F218-I222 PolarHBondContact O-N 2.81Å; Q219-I222 WeakPolarHBondContact O-CA 3.48Å; Q219-I222 WeakPolarHBondContact O-CB 3.4Å; Q219-I222 PolarHBondContact O-N 3.26Å; Q220-I222 PolarHBondContact O-N 3.31Å; I222-D224 VanDerWaalsContact C-N 3.35Å; I222-H225 PolarHBondContact O-N 2.82Å; I222-I226 HydrophobicContact CG2-CD1 3.58Å; I222-I226 HydrophobicContact CG2-CG1 4.32Å; I222-I226 WeakPolarHBondContact O-CB 3.39Å; I222-I226 WeakPolarHBondContact O-CG1 3.23Å; I222-I226 PolarHBondContact O-N 2.78Å
223V97.6Very high96.4Very high23 Ų2365.7 Ų65.714%0.13932%0.32CS..Hα-helixtrans-60-46.7176.9176.20000110.4Q219 Q220 H225 I226 Q227 P228Q219-V223 WeakPolarHBondContact O-CG2 3.47Å; Q219-V223 PolarHBondContact O-N 2.85Å; Q220-V223 PolarHBondContact O-N 3.48Å; Q220-V223 VanDerWaalsContact O-N 3.1Å; V223-H225 VanDerWaalsContact C-N 3.27Å; V223-H225 PolarHBondContact O-N 2.83Å; V223-I226 PolarHBondContact O-N 3.46Å; V223-I226 VanDerWaalsContact O-N 3.16Å; V223-Q227 PolarHBondContact O-N 3.46Å; V223-P228 HydrophobicContact CG1-CG 4.19Å; V223-P228 WeakPolarHBondContact O-CD 3.49Å
224D97.5Very high95.8Very high94 Ų9468.4 Ų68.450%0.50334%0.335SS..Hα-helixtrans-62.6-33.7177.9-66.3-15.6000112.2Q220 I222 Q227Q220-D224 PolarHBondContact NE2-OD1 2.97Å; Q220-D224 WeakPolarHBondContact O-CB 3.42Å; Q220-D224 PolarHBondContact O-N 2.85Å; I222-D224 VanDerWaalsContact C-N 3.35Å; D224-Q227 WeakPolarHBondContact O-CG 3.37Å
225H96.7Very high95.1Very high107 Ų10767.9 Ų67.950%0.49534%0.343SS..Hα-helixtrans-74-36.6174.8176.189.1000112.8F8 Q221 I222 V223F8-H225 HydrophobicContact CE1-CB 4.29Å; F8-H225 AromaticContact CE1-CD2 3.77Å; F8-H225 AromaticContact CE1-CG 3.95Å; F8-H225 AromaticContact CZ-CD2 3.54Å; Q221-H225 WeakPolarHBondContact O-CB 3.36Å; Q221-H225 PolarHBondContact O-N 3.42Å; Q221-H225 VanDerWaalsContact O-N 3.07Å; I222-H225 PolarHBondContact O-N 2.82Å; V223-H225 VanDerWaalsContact C-N 3.27Å; V223-H225 PolarHBondContact O-N 2.83Å
226I95.4Very high94.1Very high37 Ų3772.4 Ų72.419%0.1938%0.381CS..Hα-helixtrans-81.1-35.7-177.5-69.1171.4000111.4K6 F8 T21 V140 I222 V223K6-I226 HydrophobicContact CD-CG1 4.35Å; F8-I226 HydrophobicContact CE2-CD1 4.41Å; F8-I226 HydrophobicContact CZ-CG1 4.49Å; T21-I226 HydrophobicContact CG2-CD1 3.74Å; V140-I226 HydrophobicContact CB-CD1 4.26Å; V140-I226 HydrophobicContact CG1-CD1 3.53Å; I222-I226 HydrophobicContact CG2-CD1 3.58Å; I222-I226 HydrophobicContact CG2-CG1 4.32Å; I222-I226 WeakPolarHBondContact O-CB 3.39Å; I222-I226 WeakPolarHBondContact O-CG1 3.23Å; I222-I226 PolarHBondContact O-N 2.78Å; V223-I226 PolarHBondContact O-N 3.46Å; V223-I226 VanDerWaalsContact O-N 3.16Å
227Q95.4Very high93.2Very high156 Ų15681.1 Ų81.173%0.72942%0.421SS*.  trans51.759.1-176.2-53.9-174.4-59.500112.4V223 D224 V229V223-Q227 PolarHBondContact O-N 3.46Å; D224-Q227 WeakPolarHBondContact O-CG 3.37Å; Q227-V229 PolarHBondContact O-N 3.46Å
228P94.5Very high92.5Very high32 Ų3281.8 Ų81.821%0.20842%0.419CS..  trans-65.1136.2178.729.1-32.6000110.5S139 V223 K230S139-P228 VanDerWaalsContact O-CG 3.26Å; S139-P228 WeakPolarHBondContact O-CG 3.38Å; V223-P228 HydrophobicContact CG1-CG 4.19Å; V223-P228 WeakPolarHBondContact O-CD 3.49Å; P228-K230 PolarHBondContact O-N 2.95Å
229V95.6Very high92Very high127 Ų12785.3 Ų85.377%0.7744%0.439SS*.  trans-84.7110.5173.4-178.70000107.9D142 Q227D142-V229 WeakPolarHBondContact CA-O 3.34Å; D142-V229 WeakPolarHBondContact CB-O 3.14Å; Q227-V229 PolarHBondContact O-N 3.46Å
230K95.5Very high91.7Very high72 Ų7292.2 Ų92.231%0.31347%0.471SS..PPolyproline II helixtrans-73.7142176.1-60.5-57-167.3174.80110.6L138 S139 S141 D142 I143 P228 E232L138-K230 PolarHBondContact O-NZ 2.92Å; S139-K230 PolarHBondContact O-NZ 3.36Å; S141-K230 WeakPolarHBondContact O-CD 3.34Å; S141-K230 PolarHBondContact O-NZ 3.42Å; D142-K230 CarbonylContact O-C 3.58Å; D142-K230 WeakPolarHBondContact O-CA 3.06Å; I143-K230 WeakPolarHBondContact O-CD 3.42Å; I143-K230 PolarHBondContact O-NZ 3.3Å; P228-K230 PolarHBondContact O-N 2.95Å; K230-E232 PolarHBondContact O-N 2.95Å
231Q93.1Very high91.5Very high79 Ų7992.2 Ų92.237%0.36948%0.483SS..PPolyproline II helixtrans-63.8129.3167.1-177.7179.1-12.500108.1D142D142-Q231 WeakPolarHBondContact O-CB 3.45Å; D142-Q231 PolarHBondContact O-N 3.28Å
232E91.1Very high91.2Very high159 Ų15987 Ų8774%0.74346%0.459SS*.PPolyproline II helixtrans-68.2133.7174.1-171.8173.9-158.100109.7K230 I234K230-E232 PolarHBondContact O-N 2.95Å; E232-I234 HydrophobicContact CG-CG1 4.1Å
233F89.9Confident91.1Very high57 Ų5788.4 Ų88.425%0.2547%0.467CS..  trans-115.1117.3170.7174.7-106000108.3P104 K105 Y107 P144 P235P104-F233 HydrophobicContact CB-CD1 3.33Å; P104-F233 HydrophobicContact CB-CE1 3.67Å; P104-F233 HydrophobicContact CB-CG 4.12Å; P104-F233 HydrophobicContact CG-CB 4.46Å; P104-F233 HydrophobicContact CG-CD1 4.07Å; P104-F233 HydrophobicContact CG-CG 4.47Å; K105-F233 VanDerWaalsContact O-CE1 3.28Å; K105-F233 WeakPolarHBondContact O-CE1 3.39Å; Y107-F233 AromaticContact CD2-CD2 3.66Å; Y107-F233 HydrophobicContact CD2-CD2 3.66Å; Y107-F233 AromaticContact CD2-CE2 4Å; Y107-F233 HydrophobicContact CD2-CE2 4Å; Y107-F233 HydrophobicContact CD2-CG 4.18Å; Y107-F233 HydrophobicContact CE2-CD2 4.37Å; P144-F233 HydrophobicContact CG-CB 4.45Å; F233-P235 HydrophobicContact CD1-CG 4.28Å; F233-P235 HydrophobicContact CE1-CB 4.3Å; F233-P235 HydrophobicContact CE1-CG 3.93Å
234I85.5Confident91Very high125 Ų12592.5 Ų92.564%0.64149%0.485SS*.  trans-102.9111.7175.6-55.9176.2000106.1E232E232-I234 HydrophobicContact CG-CG1 4.1Å
235P82.2Confident90.9Very high79 Ų7994.4 Ų94.451%0.51349%0.485SS..PPolyproline II helixtrans-57.3146.2173.6-21.632.6000110.5F233 E237F233-P235 HydrophobicContact CD1-CG 4.28Å; F233-P235 HydrophobicContact CE1-CB 4.3Å; F233-P235 HydrophobicContact CE1-CG 3.93Å; P235-E237 PolarHBondContact O-N 2.86Å
236A77.7Confident90.9Very high96 Ų9689.3 Ų89.379%0.79346%0.462SS*.PPolyproline II helixtrans-64.3124.5171.500000109.3
237E79.1Confident90.9Very high188 Ų18891 Ų9188%0.87947%0.468SS*.PPolyproline II helixtrans-71.8142.6167.8-69.4-17617100109P235P235-E237 PolarHBondContact O-N 2.86Å
238R83.4Confident91Very high73 Ų7386.2 Ų86.228%0.27545%0.452SS..PPolyproline II helixtrans-102.1152.7173.5-67.5-174177.5-172.11.5109.6E240 V243 E303R238-E240 PolarHBondContact O-N 3.14Å; R238-E240 VanDerWaalsContact O-N 3.09Å; R238-V243 HydrophobicContact CB-CG2 4.07Å; R238-E303 IonicContact CZ-OE1 2.67Å; R238-E303 IonicContact CZ-OE2 3.55Å; R238-E303 IonicContact NE-OE2 3.69Å; R238-E303 VanDerWaalsContact NH1-CD 3.29Å; R238-E303 IonicContact NH1-OE1 2.6Å; R238-E303 IonicContact NH1-OE2 3.9Å; R238-E303 PolarHBondContact NH1-OE2 3.21Å; R238-E303 IonicContact NH2-OE1 3.38Å; R238-E303 PolarHBondContact NH2-OE1 2.92Å; R238-E303 IonicContact NH2-OE2 3.61Å; R238-E303 PolarHBondContact NH2-OE2 3.3Å; R238-E303 VanDerWaalsContact NH2-OE2 3.09Å
239D88.5Confident91.1Very high91 Ų9185.9 Ų85.949%0.48745%0.448SS..  trans-69.9105.7170.3-178-4.4000109.9A241 L242 V243D239-A241 PolarHBondContact O-N 2.81Å; D239-A241 WeakPolarHBondContact OD1-CB 3.48Å; D239-A241 PolarHBondContact OD1-N 3.33Å; D239-L242 HydrophobicContact CB-CB 3.85Å; D239-L242 WeakPolarHBondContact O-CA 3.19Å; D239-L242 WeakPolarHBondContact O-CB 3.39Å; D239-L242 PolarHBondContact O-N 3.12Å; D239-V243 WeakPolarHBondContact O-CG2 3.37Å; D239-V243 PolarHBondContact O-N 2.89Å
240E92Very high91.1Very high146 Ų14680.1 Ų80.168%0.68241%0.413SS*.Hα-helixtrans-55.7-33.1178.2-66.3-64150.100112.9R238 V243 E244R238-E240 PolarHBondContact O-N 3.14Å; R238-E240 VanDerWaalsContact O-N 3.09Å; E240-V243 PolarHBondContact O-N 3.26Å; E240-E244 WeakPolarHBondContact O-CB 3.35Å; E240-E244 PolarHBondContact O-N 3.29Å
241A93.5Very high91.1Very high68 Ų6883.1 Ų83.156%0.56243%0.428SS*.Hα-helixtrans-70.5-36176.900000111.5D239 R245D239-A241 PolarHBondContact O-N 2.81Å; D239-A241 WeakPolarHBondContact OD1-CB 3.48Å; D239-A241 PolarHBondContact OD1-N 3.33Å; A241-R245 WeakPolarHBondContact O-CB 3.28Å; A241-R245 PolarHBondContact O-N 3.03Å
242L93.9Very high91.2Very high15 Ų1586.8 Ų86.88%0.07945%0.445CS..Hα-helixtrans-67-46.3173-177.962000110.7D239 E244 R245 V246 F282 L293 E296 V297 I300D239-L242 HydrophobicContact CB-CB 3.85Å; D239-L242 WeakPolarHBondContact O-CA 3.19Å; D239-L242 WeakPolarHBondContact O-CB 3.39Å; D239-L242 PolarHBondContact O-N 3.12Å; L242-E244 VanDerWaalsContact C-N 3.35Å; L242-E244 PolarHBondContact O-N 2.84Å; L242-R245 PolarHBondContact O-N 2.87Å; L242-V246 HydrophobicContact CD1-CG2 4.19Å; L242-V246 HydrophobicContact CG-CG2 4.4Å; L242-V246 VanDerWaalsContact O-CG2 3.31Å; L242-V246 WeakPolarHBondContact O-CG2 3.42Å; L242-V246 PolarHBondContact O-N 3.12Å; L242-F282 HydrophobicContact CD1-CD1 3.95Å; L242-F282 HydrophobicContact CD1-CE1 3.52Å; L242-F282 HydrophobicContact CD1-CZ 4.33Å; L242-L293 HydrophobicContact CD1-CD1 4.11Å; L242-L293 HydrophobicContact CD2-CD1 3.74Å; L242-E296 HydrophobicContact CD2-CB 4.45Å; L242-E296 HydrophobicContact CD2-CG 3.95Å; L242-V297 HydrophobicContact CD1-CG2 4.1Å; L242-V297 HydrophobicContact CD2-CG2 4.39Å; L242-I300 HydrophobicContact CB-CD1 4.49Å; L242-I300 HydrophobicContact CD2-CD1 3.82Å; L242-I300 HydrophobicContact CG-CD1 3.81Å
243V94.4Very high91.4Very high32 Ų3281.6 Ų81.619%0.19442%0.42CS..Hα-helixtrans-56.1-49.3177.2174.70000110.9R238 D239 E240 R245 V246 K247 I300R238-V243 HydrophobicContact CB-CG2 4.07Å; D239-V243 WeakPolarHBondContact O-CG2 3.37Å; D239-V243 PolarHBondContact O-N 2.89Å; E240-V243 PolarHBondContact O-N 3.26Å; V243-R245 VanDerWaalsContact C-N 3.34Å; V243-R245 PolarHBondContact O-N 2.83Å; V243-V246 PolarHBondContact O-N 2.84Å; V243-K247 VanDerWaalsContact O-CB 3.29Å; V243-K247 WeakPolarHBondContact O-CB 3.48Å; V243-K247 PolarHBondContact O-N 2.86Å; V243-I300 HydrophobicContact CG2-CD1 3.86Å; V243-I300 HydrophobicContact CG2-CG1 4.13Å; V243-I300 HydrophobicContact CG2-CG2 4.48Å
244E95.8Very high91.6Very high110 Ų11079.5 Ų79.551%0.51441%0.414SS..Hα-helixtrans-64.5-37.8179.7-172.861.7-162.100112.3E240 L242 K247 S248E240-E244 WeakPolarHBondContact O-CB 3.35Å; E240-E244 PolarHBondContact O-N 3.29Å; L242-E244 VanDerWaalsContact C-N 3.35Å; L242-E244 PolarHBondContact O-N 2.84Å; E244-K247 PolarHBondContact O-N 3.38Å; E244-S248 WeakPolarHBondContact O-CB 3.19Å; E244-S248 PolarHBondContact O-N 2.93Å; E244-S248 PolarHBondContact O-OG 3.32Å
245R96.2Very high92.1Very high133 Ų13374 Ų7450%0.50239%0.386SS..Hα-helixtrans-65.9-46.5176.2-176.7174.4172.1-165.3-5.4111.8A241 L242 V243 K247 S248 L249 F282A241-R245 WeakPolarHBondContact O-CB 3.28Å; A241-R245 PolarHBondContact O-N 3.03Å; L242-R245 PolarHBondContact O-N 2.87Å; V243-R245 VanDerWaalsContact C-N 3.34Å; V243-R245 PolarHBondContact O-N 2.83Å; R245-K247 VanDerWaalsContact C-N 3.33Å; R245-S248 PolarHBondContact O-N 2.69Å; R245-L249 WeakPolarHBondContact O-CG 3.4Å; R245-L249 PolarHBondContact O-N 3.34Å; R245-L249 VanDerWaalsContact O-N 3.17Å; R245-F282 HydrophobicContact CG-CE1 4.1Å; R245-F282 HydrophobicContact CG-CZ 3.96Å
246V96.3Very high92.7Very high0 Ų073.3 Ų73.30%038%0.375CS..Hα-helixtrans-63.4-43177.3177.60000110L242 V243 S248 L249 T250 I278 F282 V297 I300 L301 L304L242-V246 HydrophobicContact CD1-CG2 4.19Å; L242-V246 HydrophobicContact CG-CG2 4.4Å; L242-V246 VanDerWaalsContact O-CG2 3.31Å; L242-V246 WeakPolarHBondContact O-CG2 3.42Å; L242-V246 PolarHBondContact O-N 3.12Å; V243-V246 PolarHBondContact O-N 2.84Å; V246-S248 PolarHBondContact O-N 2.83Å; V246-L249 PolarHBondContact O-N 3.42Å; V246-T250 HydrophobicContact CG1-CG2 4.48Å; V246-T250 WeakPolarHBondContact O-CG2 3.36Å; V246-T250 PolarHBondContact O-N 3.17Å; V246-I278 HydrophobicContact CG1-CG2 4.42Å; V246-F282 HydrophobicContact CG2-CE1 4.29Å; V246-F282 HydrophobicContact CG2-CE2 4.03Å; V246-F282 HydrophobicContact CG2-CZ 3.6Å; V246-V297 HydrophobicContact CG2-CG1 4.15Å; V246-V297 HydrophobicContact CG2-CG2 4.38Å; V246-I300 HydrophobicContact CB-CG2 3.85Å; V246-I300 HydrophobicContact CG1-CB 4.45Å; V246-I300 HydrophobicContact CG1-CG2 3.76Å; V246-I300 HydrophobicContact CG2-CG2 4.3Å; V246-L301 HydrophobicContact CG1-CD2 3.61Å; V246-L301 HydrophobicContact CG1-CG 3.83Å; V246-L304 HydrophobicContact CB-CD1 4.38Å; V246-L304 HydrophobicContact CG1-CD1 3.77Å
247K96.3Very high93.5Very high73 Ų7374.8 Ų74.832%0.31737%0.365SS..Hα-helixtrans-57.4-48.9176-176.5178.4177.6-179.70112.2V243 E244 R245 L249 T250 E251 L304V243-K247 VanDerWaalsContact O-CB 3.29Å; V243-K247 WeakPolarHBondContact O-CB 3.48Å; V243-K247 PolarHBondContact O-N 2.86Å; E244-K247 PolarHBondContact O-N 3.38Å; R245-K247 VanDerWaalsContact C-N 3.33Å; K247-L249 VanDerWaalsContact C-N 3.28Å; K247-L249 PolarHBondContact O-N 3.13Å; K247-T250 WeakPolarHBondContact CA-OG1 3.38Å; K247-T250 PolarHBondContact O-N 3.3Å; K247-T250 VanDerWaalsContact O-N 3.09Å; K247-T250 PolarHBondContact O-OG1 3.09Å; K247-E251 WeakPolarHBondContact CE-OE1 3.41Å; K247-E251 PolarHBondContact O-N 3.37Å; K247-L304 HydrophobicContact CB-CD1 4.18Å; K247-L304 HydrophobicContact CB-CD2 4.2Å; K247-L304 HydrophobicContact CD-CD2 4.5Å; K247-L304 HydrophobicContact CG-CD2 4.18Å
248S96.7Very high94.3Very high56 Ų5666.8 Ų66.839%0.39233%0.329SS..Hα-helixtrans-56.5-42.2176.9-620000112.1E244 R245 V246 E251 E252E244-S248 WeakPolarHBondContact O-CB 3.19Å; E244-S248 PolarHBondContact O-N 2.93Å; E244-S248 PolarHBondContact O-OG 3.32Å; R245-S248 PolarHBondContact O-N 2.69Å; V246-S248 PolarHBondContact O-N 2.83Å; S248-E251 PolarHBondContact O-N 3.02Å; S248-E252 WeakPolarHBondContact O-CB 3.28Å; S248-E252 PolarHBondContact O-N 3.42Å
249L96.4Very high94.9Very high24 Ų2463.3 Ų63.313%0.12632%0.316CS..Hα-helixtrans-67.1-37.8176.8-71169.5000112.6R245 V246 K247 E251 E252 K253 I278 E281 F282R245-L249 WeakPolarHBondContact O-CG 3.4Å; R245-L249 PolarHBondContact O-N 3.34Å; R245-L249 VanDerWaalsContact O-N 3.17Å; V246-L249 PolarHBondContact O-N 3.42Å; K247-L249 VanDerWaalsContact C-N 3.28Å; K247-L249 PolarHBondContact O-N 3.13Å; L249-E251 VanDerWaalsContact C-N 3.32Å; L249-E251 PolarHBondContact O-N 3.13Å; L249-E252 PolarHBondContact O-N 3.05Å; L249-K253 WeakPolarHBondContact O-CB 3.43Å; L249-K253 WeakPolarHBondContact O-CG 3.15Å; L249-K253 PolarHBondContact O-N 2.76Å; L249-I278 HydrophobicContact CB-CG1 4.34Å; L249-I278 HydrophobicContact CB-CG2 4.14Å; L249-I278 HydrophobicContact CD1-CG2 4.07Å; L249-E281 HydrophobicContact CD1-CB 4.28Å; L249-E281 HydrophobicContact CD1-CG 4.46Å; L249-F282 HydrophobicContact CD1-CE2 3.53Å; L249-F282 HydrophobicContact CD1-CZ 3.69Å
250T96.5Very high95.1Very high6 Ų661.6 Ų61.64%0.03731%0.307CS..Hα-helixtrans-64.5-36.7175.359.40000112.4V246 K247 G254 L255 I278 L301 L304V246-T250 HydrophobicContact CG1-CG2 4.48Å; V246-T250 WeakPolarHBondContact O-CG2 3.36Å; V246-T250 PolarHBondContact O-N 3.17Å; K247-T250 WeakPolarHBondContact CA-OG1 3.38Å; K247-T250 PolarHBondContact O-N 3.3Å; K247-T250 VanDerWaalsContact O-N 3.09Å; K247-T250 PolarHBondContact O-OG1 3.09Å; T250-G254 PolarHBondContact O-N 3.3Å; T250-L255 HydrophobicContact CG2-CD2 4.29Å; T250-L255 VanDerWaalsContact O-CB 3.31Å; T250-L255 WeakPolarHBondContact O-CB 3.46Å; T250-L255 PolarHBondContact O-N 2.83Å; T250-I278 HydrophobicContact CG2-CD1 3.56Å; T250-L301 HydrophobicContact CG2-CD2 3.55Å; T250-L304 HydrophobicContact CG2-CD1 3.97Å
251E94.5Very high95.2Very high135 Ų13555.9 Ų55.963%0.63128%0.282SS*.Hα-helixtrans-69.6-45.1175.1-68.5177.5-17300111.2K247 S248 L249 K253 G254K247-E251 WeakPolarHBondContact CE-OE1 3.41Å; K247-E251 PolarHBondContact O-N 3.37Å; S248-E251 PolarHBondContact O-N 3.02Å; L249-E251 VanDerWaalsContact C-N 3.32Å; L249-E251 PolarHBondContact O-N 3.13Å; E251-K253 PolarHBondContact O-N 2.97Å; E251-G254 PolarHBondContact O-N 3.42Å
252E95.4Very high95Very high156 Ų15659.2 Ų59.273%0.72928%0.284SS*.Hα-helixtrans-61.1-43.3178.6-177.3-179.3169.100112.5S248 L249 G254S248-E252 WeakPolarHBondContact O-CB 3.28Å; S248-E252 PolarHBondContact O-N 3.42Å; L249-E252 PolarHBondContact O-N 3.05Å; E252-G254 VanDerWaalsContact C-N 3.35Å
253K95Very high94.8Very high51 Ų5161.1 Ų61.122%0.22229%0.294CS..THydrogen-bonded Turntrans-87.21.5-177-64.1-172.4-170.1-74.70114.1L249 E251 L274 E277 I278 E281L249-K253 WeakPolarHBondContact O-CB 3.43Å; L249-K253 WeakPolarHBondContact O-CG 3.15Å; L249-K253 PolarHBondContact O-N 2.76Å; E251-K253 PolarHBondContact O-N 2.97Å; K253-L274 HydrophobicContact CB-CD1 3.46Å; K253-L274 VanDerWaalsContact CB-CD1 3.46Å; K253-L274 HydrophobicContact CD-CD1 4.23Å; K253-E277 HydrophobicContact CD-CB 4.39Å; K253-E277 HydrophobicContact CD-CG 4.06Å; K253-E277 IonicContact NZ-OE1 2.76Å; K253-E277 PolarHBondContact NZ-OE1 3.01Å; K253-I278 HydrophobicContact CD-CD1 4.49Å; K253-I278 HydrophobicContact CD-CG1 3.7Å; K253-E281 IonicContact NZ-OE1 3.96Å
254G94.8Very high94.5Very high12 Ų1261.6 Ų61.612%0.12429%0.294CS..THydrogen-bonded Turntrans82.150.9170.500000115.2T250 E251 E252 K256 E257 T258T250-G254 PolarHBondContact O-N 3.3Å; E251-G254 PolarHBondContact O-N 3.42Å; E252-G254 VanDerWaalsContact C-N 3.35Å; G254-K256 VanDerWaalsContact C-N 3.27Å; G254-K256 PolarHBondContact O-N 2.85Å; G254-E257 WeakPolarHBondContact CA-OE2 3.39Å; G254-E257 PolarHBondContact O-N 3.19Å; G254-T258 WeakPolarHBondContact O-CB 3.27Å; G254-T258 PolarHBondContact O-N 2.84Å; G254-T258 PolarHBondContact O-OG1 3.38Å
255L96.2Very high94.2Very high10 Ų1062.5 Ų62.55%0.05230%0.298CS..Hα-helixtrans-57.3-39.8174.2175.162.6000112.4T250 T258 V259 L271 L274 L304 V305 E308T250-L255 HydrophobicContact CG2-CD2 4.29Å; T250-L255 VanDerWaalsContact O-CB 3.31Å; T250-L255 WeakPolarHBondContact O-CB 3.46Å; T250-L255 PolarHBondContact O-N 2.83Å; L255-T258 WeakPolarHBondContact O-CB 3.45Å; L255-T258 PolarHBondContact O-N 3.21Å; L255-V259 HydrophobicContact CD1-CG2 3.92Å; L255-V259 HydrophobicContact CG-CG2 4.34Å; L255-V259 WeakPolarHBondContact O-CG2 3Å; L255-V259 PolarHBondContact O-N 3.35Å; L255-L271 HydrophobicContact CD1-CD2 4.05Å; L255-L274 HydrophobicContact CB-CD2 4.1Å; L255-L274 HydrophobicContact CD1-CD2 3.78Å; L255-L304 HydrophobicContact CD2-CB 4.41Å; L255-V305 HydrophobicContact CD1-CG2 3.79Å; L255-E308 HydrophobicContact CD2-CB 3.9Å; L255-E308 HydrophobicContact CD2-CG 4.23Å; L255-E308 HydrophobicContact CG-CB 4.29Å; L255-E308 HydrophobicContact CG-CG 4.16Å
256K94.8Very high94.1Very high64 Ų6460 Ų6028%0.27829%0.292SS..Hα-helixtrans-59.1-50.9179.1177.6171178.3164.20111.3G254 T258 V259 L260 E308 L312 E316G254-K256 VanDerWaalsContact C-N 3.27Å; G254-K256 PolarHBondContact O-N 2.85Å; K256-T258 VanDerWaalsContact C-N 3.28Å; K256-T258 PolarHBondContact O-N 3.43Å; K256-V259 PolarHBondContact O-N 3.49Å; K256-L260 HydrophobicContact CG-CD1 4.04Å; K256-L260 VanDerWaalsContact O-CG 3.29Å; K256-L260 WeakPolarHBondContact O-CG 3.28Å; K256-L260 PolarHBondContact O-N 3.46Å; K256-L260 VanDerWaalsContact O-N 3.09Å; K256-E308 WeakPolarHBondContact CB-OE1 3.49Å; K256-L312 HydrophobicContact CD-CD2 4.19Å; K256-L312 HydrophobicContact CG-CD2 4.19Å; K256-E316 VanDerWaalsContact NZ-CD 3.25Å; K256-E316 IonicContact NZ-OE1 2.64Å; K256-E316 PolarHBondContact NZ-OE1 3.02Å; K256-E316 IonicContact NZ-OE2 3.84Å; K256-E316 PolarHBondContact NZ-OE2 2.95Å
257E94.8Very high93.9Very high127 Ų12760.1 Ų60.159%0.59329%0.293SS*.Hα-helixtrans-62.4-38.8178.8-67.271.9-160.600111.2G254 L260 T261G254-E257 WeakPolarHBondContact CA-OE2 3.39Å; G254-E257 PolarHBondContact O-N 3.19Å; E257-L260 PolarHBondContact O-N 3.45Å; E257-T261 PolarHBondContact O-N 2.85Å
258T95.7Very high93.7Very high20 Ų2059.6 Ų59.612%0.12329%0.293CS..Hα-helixtrans-62.3-49.3177.4-58.70000111.3G254 L255 K256 L260 T261 N270 L271 L274G254-T258 WeakPolarHBondContact O-CB 3.27Å; G254-T258 PolarHBondContact O-N 2.84Å; G254-T258 PolarHBondContact O-OG1 3.38Å; L255-T258 WeakPolarHBondContact O-CB 3.45Å; L255-T258 PolarHBondContact O-N 3.21Å; K256-T258 VanDerWaalsContact C-N 3.28Å; K256-T258 PolarHBondContact O-N 3.43Å; T258-L260 VanDerWaalsContact C-N 3.26Å; T258-L260 PolarHBondContact O-N 3.34Å; T258-T261 VanDerWaalsContact O-CB 3.28Å; T258-T261 WeakPolarHBondContact O-CB 3.26Å; T258-T261 PolarHBondContact O-N 2.98Å; T258-T261 VanDerWaalsContact O-N 3.13Å; T258-T261 PolarHBondContact O-OG1 3.29Å; T258-N270 HydrophobicContact CG2-CB 3.8Å; T258-L271 HydrophobicContact CG2-CB 4.46Å; T258-L271 HydrophobicContact CG2-CD2 3.67Å; T258-L271 HydrophobicContact CG2-CG 3.86Å; T258-L274 HydrophobicContact CG2-CB 4.47Å; T258-L274 HydrophobicContact CG2-CD2 4.06Å
259V94.7Very high93.6Very high0 Ų061.8 Ų61.80%030%0.297CS..Hα-helixtrans-61.7-34.1177.7166.40000112.1L255 K256 T261 R267 L271 E308 V309 L312L255-V259 HydrophobicContact CD1-CG2 3.92Å; L255-V259 HydrophobicContact CG-CG2 4.34Å; L255-V259 WeakPolarHBondContact O-CG2 3Å; L255-V259 PolarHBondContact O-N 3.35Å; K256-V259 PolarHBondContact O-N 3.49Å; V259-T261 PolarHBondContact O-N 3.1Å; V259-R267 WeakPolarHBondContact O-CD 3.5Å; V259-L271 HydrophobicContact CG2-CD2 4.21Å; V259-E308 HydrophobicContact CG2-CG 4.48Å; V259-V309 HydrophobicContact CG1-CB 4.47Å; V259-V309 HydrophobicContact CG1-CG2 3.5Å; V259-V309 HydrophobicContact CG2-CG2 4.14Å; V259-L312 HydrophobicContact CB-CD1 4.4Å; V259-L312 HydrophobicContact CG1-CD1 3.78Å
260L93.9Very high93.6Very high55 Ų5563 Ų6329%0.28830%0.304SS..THydrogen-bonded Turntrans-81.211.7178.4-66.3175.4000113.9K256 E257 T258 F262 L312 I318 P320K256-L260 HydrophobicContact CG-CD1 4.04Å; K256-L260 VanDerWaalsContact O-CG 3.29Å; K256-L260 WeakPolarHBondContact O-CG 3.28Å; K256-L260 PolarHBondContact O-N 3.46Å; K256-L260 VanDerWaalsContact O-N 3.09Å; E257-L260 PolarHBondContact O-N 3.45Å; T258-L260 VanDerWaalsContact C-N 3.26Å; T258-L260 PolarHBondContact O-N 3.34Å; L260-F262 PolarHBondContact O-N 2.64Å; L260-L312 HydrophobicContact CD2-CD1 4.06Å; L260-L312 HydrophobicContact CG-CD1 4.18Å; L260-I318 HydrophobicContact CD2-CG2 3.61Å; L260-P320 CarbonylContact C-O 3.57Å
261T93.5Very high93.6Very high26 Ų2663 Ų6316%0.1630%0.304CS..  trans-65.3121.1170.1-59.40000109.5E257 T258 V259 Q266 R267 N270E257-T261 PolarHBondContact O-N 2.85Å; T258-T261 VanDerWaalsContact O-CB 3.28Å; T258-T261 WeakPolarHBondContact O-CB 3.26Å; T258-T261 PolarHBondContact O-N 2.98Å; T258-T261 VanDerWaalsContact O-N 3.13Å; T258-T261 PolarHBondContact O-OG1 3.29Å; V259-T261 PolarHBondContact O-N 3.1Å; T261-Q266 HydrophobicContact CG2-CB 3.88Å; T261-Q266 HydrophobicContact CG2-CG 3.85Å; T261-R267 HydrophobicContact CG2-CB 3.99Å; T261-R267 WeakPolarHBondContact O-CD 3.33Å; T261-R267 PolarHBondContact O-NH1 2.88Å; T261-N270 PolarHBondContact OG1-ND2 3.08Å
262F89.5Confident93.6Very high138 Ų13861 Ų6161%0.60530%0.297SS*.SBendtrans-61.6-53.5-173179.4-93.8000113.5L260 D321L260-F262 PolarHBondContact O-N 2.64Å; F262-D321 HydrophobicContact CD2-CB 3.96Å; F262-D321 WeakPolarHBondContact CD2-O 3.38Å; F262-D321 HydrophobicContact CE2-CB 4.08Å; F262-D321 WeakPolarHBondContact CE2-O 3.32Å
263D90Very high93.7Very high55 Ų5557.9 Ų57.929%0.29429%0.286SS..SBendtrans-74.2133.6-177.7177.5-99.3000111.2Q265 Q266 R267 Q351D263-Q265 PolarHBondContact O-N 2.74Å; D263-Q265 PolarHBondContact OD1-N 2.84Å; D263-Q266 HydrophobicContact CB-CB 4.07Å; D263-Q266 PolarHBondContact OD1-N 3.1Å; D263-R267 WeakPolarHBondContact O-CB 3.48Å; D263-R267 PolarHBondContact O-N 2.98Å; D263-Q351 PolarHBondContact OD2-NE2 2.84Å
264K88.3Confident93.8Very high42 Ų4256 Ų5618%0.18328%0.278CS..Hα-helixtrans-57.2-51.5-179.1179.9-164.5172-165.30112.4R267 D268 S438 N439K264-R267 WeakPolarHBondContact O-CB 3.46Å; K264-R267 PolarHBondContact O-N 3.02Å; K264-D268 PolarHBondContact O-N 3.3Å; K264-S438 PolarHBondContact NZ-O 3.05Å; K264-S438 VanDerWaalsContact NZ-O 3.15Å; K264-N439 HydrophobicContact CD-CB 4.06Å
265Q89.4Confident93.9Very high129 Ų12957 Ų5760%0.60328%0.279SS*.Hα-helixtrans-68.5-41.9-173.6-68.3-177.6-600110.8D263 R267 D268 E269D263-Q265 PolarHBondContact O-N 2.74Å; D263-Q265 PolarHBondContact OD1-N 2.84Å; Q265-R267 VanDerWaalsContact C-N 3.29Å; Q265-R267 PolarHBondContact O-N 3.39Å; Q265-D268 PolarHBondContact O-N 2.83Å; Q265-E269 WeakPolarHBondContact O-CB 3.36Å; Q265-E269 PolarHBondContact O-N 3.48Å
266Q92.6Very high93.9Very high82 Ų8260.7 Ų60.738%0.38330%0.296SS..Hα-helixtrans-63.6-37.6175-168.262.97400111.7T261 D263 E269 N270T261-Q266 HydrophobicContact CG2-CB 3.88Å; T261-Q266 HydrophobicContact CG2-CG 3.85Å; D263-Q266 HydrophobicContact CB-CB 4.07Å; D263-Q266 PolarHBondContact OD1-N 3.1Å; Q266-E269 PolarHBondContact NE2-OE2 3.28Å; Q266-N270 PolarHBondContact NE2-OD1 2.82Å; Q266-N270 VanDerWaalsContact O-CB 3.28Å; Q266-N270 WeakPolarHBondContact O-CB 3.45Å; Q266-N270 PolarHBondContact O-N 3.22Å; Q266-N270 PolarHBondContact O-ND2 3.37Å; Q266-N270 PolarHBondContact O-OD1 3.37Å
267R93.6Very high94Very high1 Ų162.4 Ų62.40%0.00431%0.305CS..Hα-helixtrans-64.8-45.7176-178169.457.7-141.610.7111.6V259 T261 D263 K264 Q265 N270 L271 P320 M488V259-R267 WeakPolarHBondContact O-CD 3.5Å; T261-R267 HydrophobicContact CG2-CB 3.99Å; T261-R267 WeakPolarHBondContact O-CD 3.33Å; T261-R267 PolarHBondContact O-NH1 2.88Å; D263-R267 WeakPolarHBondContact O-CB 3.48Å; D263-R267 PolarHBondContact O-N 2.98Å; K264-R267 WeakPolarHBondContact O-CB 3.46Å; K264-R267 PolarHBondContact O-N 3.02Å; Q265-R267 VanDerWaalsContact C-N 3.29Å; Q265-R267 PolarHBondContact O-N 3.39Å; R267-N270 PolarHBondContact O-N 3.48Å; R267-L271 HydrophobicContact CG-CD1 3.98Å; R267-L271 HydrophobicContact CG-CG 4.42Å; R267-L271 WeakPolarHBondContact O-CB 3.42Å; R267-L271 WeakPolarHBondContact O-CG 3.21Å; R267-L271 PolarHBondContact O-N 3.09Å; R267-P320 PolarHBondContact NH1-O 2.93Å; R267-M488 HydrophobicContact CG-CE 4.22Å; R267-M488 VanDerWaalsContact NE-CE 3.35Å
268D91.8Very high94Very high62 Ų6256.3 Ų56.333%0.33228%0.277SS..Hα-helixtrans-61.8-45.7178.6-65.7-17.8000110K264 Q265 N270 L271 D272K264-D268 PolarHBondContact O-N 3.3Å; Q265-D268 PolarHBondContact O-N 2.83Å; D268-N270 PolarHBondContact O-N 3Å; D268-L271 PolarHBondContact O-N 2.83Å; D268-D272 WeakPolarHBondContact O-CB 3.47Å; D268-D272 PolarHBondContact O-N 2.9Å
269E95Very high94.1Very high102 Ų10255.5 Ų55.548%0.47727%0.272SS..Hα-helixtrans-60.7-45174.2-177.2-177.6-163.200112.5Q265 Q266 L271 D272 N273Q265-E269 WeakPolarHBondContact O-CB 3.36Å; Q265-E269 PolarHBondContact O-N 3.48Å; Q266-E269 PolarHBondContact NE2-OE2 3.28Å; E269-L271 VanDerWaalsContact C-N 3.34Å; E269-L271 PolarHBondContact O-N 3.21Å; E269-D272 PolarHBondContact O-N 2.78Å; E269-N273 WeakPolarHBondContact O-CB 3.48Å; E269-N273 VanDerWaalsContact O-CG 3.24Å; E269-N273 PolarHBondContact O-N 2.95Å; E269-N273 PolarHBondContact O-ND2 2.89Å
270N96.5Very high94.1Very high49 Ų4960 Ų6026%0.26230%0.296SS..Hα-helixtrans-65.5-38.7179.2-67.4-11.7000111.4T258 T261 Q266 R267 D268 L274T258-N270 HydrophobicContact CG2-CB 3.8Å; T261-N270 PolarHBondContact OG1-ND2 3.08Å; Q266-N270 PolarHBondContact NE2-OD1 2.82Å; Q266-N270 VanDerWaalsContact O-CB 3.28Å; Q266-N270 WeakPolarHBondContact O-CB 3.45Å; Q266-N270 PolarHBondContact O-N 3.22Å; Q266-N270 PolarHBondContact O-ND2 3.37Å; Q266-N270 PolarHBondContact O-OD1 3.37Å; R267-N270 PolarHBondContact O-N 3.48Å; D268-N270 PolarHBondContact O-N 3Å; N270-L274 VanDerWaalsContact O-CB 3.26Å; N270-L274 WeakPolarHBondContact O-CB 3.37Å; N270-L274 PolarHBondContact O-N 2.92Å
271L95.6Very high94.1Very high8 Ų862.3 Ų62.34%0.04231%0.305CS..Hα-helixtrans-66.2-42.2175.6-78.3170.7000111.5L255 T258 V259 R267 D268 E269 L274 K275 V305 M488L255-L271 HydrophobicContact CD1-CD2 4.05Å; T258-L271 HydrophobicContact CG2-CB 4.46Å; T258-L271 HydrophobicContact CG2-CD2 3.67Å; T258-L271 HydrophobicContact CG2-CG 3.86Å; V259-L271 HydrophobicContact CG2-CD2 4.21Å; R267-L271 HydrophobicContact CG-CD1 3.98Å; R267-L271 HydrophobicContact CG-CG 4.42Å; R267-L271 WeakPolarHBondContact O-CB 3.42Å; R267-L271 WeakPolarHBondContact O-CG 3.21Å; R267-L271 PolarHBondContact O-N 3.09Å; D268-L271 PolarHBondContact O-N 2.83Å; E269-L271 VanDerWaalsContact C-N 3.34Å; E269-L271 PolarHBondContact O-N 3.21Å; L271-L274 PolarHBondContact O-N 2.87Å; L271-K275 WeakPolarHBondContact O-CB 3.48Å; L271-K275 WeakPolarHBondContact O-CG 3.31Å; L271-K275 PolarHBondContact O-N 2.76Å; L271-V305 HydrophobicContact CD1-CG1 4.39Å; L271-V305 HydrophobicContact CD2-CG1 4.17Å; L271-V305 HydrophobicContact CD2-CG2 4.01Å; L271-M488 HydrophobicContact CD1-CE 3.79Å
272D95.5Very high94.1Very high92 Ų9261.7 Ų61.749%0.49230%0.3SS..Hα-helixtrans-64.9-46.1177.1-72.7-14.5000110.8D268 E269 L274 K275 E276D268-D272 WeakPolarHBondContact O-CB 3.47Å; D268-D272 PolarHBondContact O-N 2.9Å; E269-D272 PolarHBondContact O-N 2.78Å; D272-L274 VanDerWaalsContact C-N 3.35Å; D272-L274 PolarHBondContact O-N 3.18Å; D272-K275 PolarHBondContact O-N 3.48Å; D272-E276 WeakPolarHBondContact O-CG 3.36Å; D272-E276 PolarHBondContact O-N 2.92Å
273N97.1Very high94.2Very high91 Ų9158.9 Ų58.949%0.48729%0.29SS..Hα-helixtrans-59.6-43.4175.3-72.9-30.7000112.3E269 E276 E277E269-N273 WeakPolarHBondContact O-CB 3.48Å; E269-N273 VanDerWaalsContact O-CG 3.24Å; E269-N273 PolarHBondContact O-N 2.95Å; E269-N273 PolarHBondContact O-ND2 2.89Å; N273-E276 PolarHBondContact O-N 2.88Å; N273-E277 WeakPolarHBondContact O-CB 3.17Å; N273-E277 PolarHBondContact O-N 2.85Å
274L96.5Very high94.3Very high12 Ų1260.1 Ų60.16%0.06330%0.297CS..Hα-helixtrans-62.3-43.6176.7178.666.7000111.4K253 L255 T258 N270 L271 D272 E277 I278K253-L274 HydrophobicContact CB-CD1 3.46Å; K253-L274 VanDerWaalsContact CB-CD1 3.46Å; K253-L274 HydrophobicContact CD-CD1 4.23Å; L255-L274 HydrophobicContact CB-CD2 4.1Å; L255-L274 HydrophobicContact CD1-CD2 3.78Å; T258-L274 HydrophobicContact CG2-CB 4.47Å; T258-L274 HydrophobicContact CG2-CD2 4.06Å; N270-L274 VanDerWaalsContact O-CB 3.26Å; N270-L274 WeakPolarHBondContact O-CB 3.37Å; N270-L274 PolarHBondContact O-N 2.92Å; L271-L274 PolarHBondContact O-N 2.87Å; D272-L274 VanDerWaalsContact C-N 3.35Å; D272-L274 PolarHBondContact O-N 3.18Å; L274-E277 PolarHBondContact O-N 3.34Å; L274-I278 HydrophobicContact CD1-CD1 4.07Å; L274-I278 HydrophobicContact CG-CD1 4.07Å; L274-I278 VanDerWaalsContact O-CG1 3.31Å; L274-I278 WeakPolarHBondContact O-CG1 3.4Å; L274-I278 PolarHBondContact O-N 3.39Å
275K97Very high94.2Very high31 Ų3166.8 Ų66.814%0.13533%0.329CS..Hα-helixtrans-62.6-48.1177.5-73171.6-169.4177.80111.1L271 D272 E277 I278 V279 Y298 L301 N302L271-K275 WeakPolarHBondContact O-CB 3.48Å; L271-K275 WeakPolarHBondContact O-CG 3.31Å; L271-K275 PolarHBondContact O-N 2.76Å; D272-K275 PolarHBondContact O-N 3.48Å; K275-E277 VanDerWaalsContact C-N 3.33Å; K275-E277 PolarHBondContact O-N 3.23Å; K275-I278 PolarHBondContact O-N 2.71Å; K275-V279 WeakPolarHBondContact O-CB 3.41Å; K275-V279 WeakPolarHBondContact O-CG2 3.27Å; K275-V279 PolarHBondContact O-N 2.86Å; K275-Y298 HydrophobicContact CB-CE1 4.36Å; K275-L301 HydrophobicContact CB-CD1 4.13Å; K275-L301 HydrophobicContact CG-CB 4.29Å; K275-L301 HydrophobicContact CG-CD1 4.16Å; K275-N302 WeakPolarHBondContact CE-OD1 3.07Å; K275-N302 PolarHBondContact NZ-OD1 2.89Å
276E96.3Very high94.1Very high88 Ų8869.2 Ų69.241%0.41134%0.34SS..Hα-helixtrans-58.8-44.9176.7-71.4-60.7137.100111.4D272 N273 I278 V279 N280 Y298D272-E276 WeakPolarHBondContact O-CG 3.36Å; D272-E276 PolarHBondContact O-N 2.92Å; N273-E276 PolarHBondContact O-N 2.88Å; E276-I278 VanDerWaalsContact C-N 3.32Å; E276-I278 PolarHBondContact O-N 3.04Å; E276-V279 PolarHBondContact O-N 3.42Å; E276-N280 WeakPolarHBondContact O-CB 3.31Å; E276-N280 VanDerWaalsContact O-CG 3.24Å; E276-N280 PolarHBondContact O-N 3.05Å; E276-N280 PolarHBondContact O-ND2 3.12Å; E276-Y298 PolarHBondContact OE1-OH 3.46Å
277E96.2Very high93.9Very high100 Ų10068.2 Ų68.247%0.46734%0.337SS..Hα-helixtrans-61-40.1178.4-163.7-173.4156.400112.3K253 N273 L274 K275K253-E277 HydrophobicContact CD-CB 4.39Å; K253-E277 HydrophobicContact CD-CG 4.06Å; K253-E277 IonicContact NZ-OE1 2.76Å; K253-E277 PolarHBondContact NZ-OE1 3.01Å; N273-E277 WeakPolarHBondContact O-CB 3.17Å; N273-E277 PolarHBondContact O-N 2.85Å; L274-E277 PolarHBondContact O-N 3.34Å; K275-E277 VanDerWaalsContact C-N 3.33Å; K275-E277 PolarHBondContact O-N 3.23Å
278I96.2Very high93.6Very high0 Ų074.3 Ų74.30%038%0.377CS..Hα-helixtrans-71.6-44.9177-65.9170000111V246 L249 T250 K253 L274 K275 E276 N280 E281 F282 L301V246-I278 HydrophobicContact CG1-CG2 4.42Å; L249-I278 HydrophobicContact CB-CG1 4.34Å; L249-I278 HydrophobicContact CB-CG2 4.14Å; L249-I278 HydrophobicContact CD1-CG2 4.07Å; T250-I278 HydrophobicContact CG2-CD1 3.56Å; K253-I278 HydrophobicContact CD-CD1 4.49Å; K253-I278 HydrophobicContact CD-CG1 3.7Å; L274-I278 HydrophobicContact CD1-CD1 4.07Å; L274-I278 HydrophobicContact CG-CD1 4.07Å; L274-I278 VanDerWaalsContact O-CG1 3.31Å; L274-I278 WeakPolarHBondContact O-CG1 3.4Å; L274-I278 PolarHBondContact O-N 3.39Å; K275-I278 PolarHBondContact O-N 2.71Å; E276-I278 VanDerWaalsContact C-N 3.32Å; E276-I278 PolarHBondContact O-N 3.04Å; I278-N280 PolarHBondContact O-N 3.44Å; I278-E281 VanDerWaalsContact O-CB 3.32Å; I278-E281 WeakPolarHBondContact O-CB 3.42Å; I278-E281 PolarHBondContact O-N 3Å; I278-F282 HydrophobicContact CG2-CE2 3.92Å; I278-F282 VanDerWaalsContact O-CD2 3.24Å; I278-F282 WeakPolarHBondContact O-CD2 3.45Å; I278-L301 HydrophobicContact CB-CD1 4.34Å; I278-L301 HydrophobicContact CB-CD2 4.28Å; I278-L301 HydrophobicContact CD1-CD2 3.69Å; I278-L301 HydrophobicContact CG2-CD1 4.27Å; I278-L301 HydrophobicContact CG2-CD2 4.02Å
279V96Very high93.4Very high3 Ų377.7 Ų77.72%0.01839%0.391CS..Hα-helixtrans-59.5-38-179.4167.50000111.2K275 E276 E281 F282 I283 I294 V297 Y298 L301K275-V279 WeakPolarHBondContact O-CB 3.41Å; K275-V279 WeakPolarHBondContact O-CG2 3.27Å; K275-V279 PolarHBondContact O-N 2.86Å; E276-V279 PolarHBondContact O-N 3.42Å; V279-E281 PolarHBondContact O-N 3.36Å; V279-E281 VanDerWaalsContact O-N 3.12Å; V279-F282 PolarHBondContact O-N 3.41Å; V279-I283 PolarHBondContact O-N 3.48Å; V279-I294 HydrophobicContact CG1-CD1 3.7Å; V279-I294 HydrophobicContact CG1-CG2 3.81Å; V279-V297 HydrophobicContact CG2-CG1 3.87Å; V279-Y298 HydrophobicContact CB-CE2 4.47Å; V279-Y298 HydrophobicContact CG1-CE2 3.89Å; V279-Y298 HydrophobicContact CG2-CD1 4.04Å; V279-Y298 HydrophobicContact CG2-CD2 4.14Å; V279-Y298 HydrophobicContact CG2-CE1 3.79Å; V279-Y298 HydrophobicContact CG2-CE2 3.87Å; V279-Y298 HydrophobicContact CG2-CG 4.21Å; V279-L301 HydrophobicContact CG2-CD1 3.74Å
280N95.4Very high93.2Very high94 Ų9474.3 Ų74.350%0.50338%0.376SS..THydrogen-bonded Turntrans-59-22.2176.1-76.4-48.4000114E276 I278 F282 I283E276-N280 WeakPolarHBondContact O-CB 3.31Å; E276-N280 VanDerWaalsContact O-CG 3.24Å; E276-N280 PolarHBondContact O-N 3.05Å; E276-N280 PolarHBondContact O-ND2 3.12Å; I278-N280 PolarHBondContact O-N 3.44Å; N280-F282 PolarHBondContact O-N 3.09Å; N280-I283 VanDerWaalsContact OD1-CD1 3.27Å; N280-I283 WeakPolarHBondContact OD1-CD1 3.5Å
281E94Very high92.8Very high104 Ų10478.4 Ų78.449%0.48639%0.394SS..THydrogen-bonded Turntrans-75.4-10.6174.9-60.8-68.8163.300113.5L249 K253 I278 V279L249-E281 HydrophobicContact CD1-CB 4.28Å; L249-E281 HydrophobicContact CD1-CG 4.46Å; K253-E281 IonicContact NZ-OE1 3.96Å; I278-E281 VanDerWaalsContact O-CB 3.32Å; I278-E281 WeakPolarHBondContact O-CB 3.42Å; I278-E281 PolarHBondContact O-N 3Å; V279-E281 PolarHBondContact O-N 3.36Å; V279-E281 VanDerWaalsContact O-N 3.12Å
282F94.1Very high92.5Very high12 Ų1284 Ų845%0.05342%0.423CS..THydrogen-bonded Turntrans-113.8-7.5-178.1-62.5-91.1000113.4L242 R245 V246 L249 I278 V279 N280 D284 I294 V297L242-F282 HydrophobicContact CD1-CD1 3.95Å; L242-F282 HydrophobicContact CD1-CE1 3.52Å; L242-F282 HydrophobicContact CD1-CZ 4.33Å; R245-F282 HydrophobicContact CG-CE1 4.1Å; R245-F282 HydrophobicContact CG-CZ 3.96Å; V246-F282 HydrophobicContact CG2-CE1 4.29Å; V246-F282 HydrophobicContact CG2-CE2 4.03Å; V246-F282 HydrophobicContact CG2-CZ 3.6Å; L249-F282 HydrophobicContact CD1-CE2 3.53Å; L249-F282 HydrophobicContact CD1-CZ 3.69Å; I278-F282 HydrophobicContact CG2-CE2 3.92Å; I278-F282 VanDerWaalsContact O-CD2 3.24Å; I278-F282 WeakPolarHBondContact O-CD2 3.45Å; V279-F282 PolarHBondContact O-N 3.41Å; N280-F282 PolarHBondContact O-N 3.09Å; F282-D284 PolarHBondContact O-N 2.68Å; F282-I294 HydrophobicContact CB-CD1 4.21Å; F282-V297 HydrophobicContact CB-CG2 4.27Å; F282-V297 HydrophobicContact CD1-CG2 4.14Å; F282-V297 HydrophobicContact CD2-CG1 4.02Å; F282-V297 HydrophobicContact CD2-CG2 4.17Å; F282-V297 HydrophobicContact CE2-CG1 4.22Å; F282-V297 HydrophobicContact CG-CG2 3.94Å
283I92.2Very high92.3Very high79 Ų7981.8 Ų81.841%0.40541%0.411SS..  trans-67.9117.9179.5-64.5176.1000109.3V279 N280 E285 I294V279-I283 PolarHBondContact O-N 3.48Å; N280-I283 VanDerWaalsContact OD1-CD1 3.27Å; N280-I283 WeakPolarHBondContact OD1-CD1 3.5Å; I283-E285 HydrophobicContact CG2-CG 4.2Å; I283-I294 HydrophobicContact CG1-CD1 3.64Å
284D91.2Very high92.1Very high81 Ų8178.6 Ų78.643%0.43339%0.394SS..  trans-126.699.5167.2-170.6-12.9000108.6F282 E286 D287 N290F282-D284 PolarHBondContact O-N 2.68Å; D284-E286 PolarHBondContact O-N 3.43Å; D284-E286 VanDerWaalsContact O-N 3.15Å; D284-E286 PolarHBondContact OD1-N 3.24Å; D284-E286 VanDerWaalsContact OD1-N 3.08Å; D284-D287 HydrophobicContact CB-CB 4.04Å; D284-D287 PolarHBondContact O-N 2.72Å; D284-D287 VanDerWaalsContact O-N 3.11Å; D284-N290 PolarHBondContact N-OD1 2.79Å; D284-N290 VanDerWaalsContact O-CB 3.27Å; D284-N290 WeakPolarHBondContact O-CB 3.34Å; D284-N290 VanDerWaalsContact O-CG 3.26Å; D284-N290 PolarHBondContact O-OD1 2.88Å
285E86.8Confident91.7Very high182 Ų18283.5 Ų83.585%0.8542%0.415SS*.THydrogen-bonded Turntrans-64.7-16-178.7-65.1-172.3163.900113.2I283I283-E285 HydrophobicContact CG2-CG 4.2Å
286E87.2Confident91.4Very high181 Ų18185.1 Ų85.185%0.84642%0.423SS*.THydrogen-bonded Turntrans-86.8-14.8177.4-59.5-169.8170.200112.6D284 P288D284-E286 PolarHBondContact O-N 3.43Å; D284-E286 VanDerWaalsContact O-N 3.15Å; D284-E286 PolarHBondContact OD1-N 3.24Å; D284-E286 VanDerWaalsContact OD1-N 3.08Å; E286-P288 WeakPolarHBondContact O-CD 3.37Å
287D87.6Confident91.3Very high60 Ų6081 Ų8132%0.32140%0.403SS..  trans-82.5117.8178.8-172.8-6.5000111.5D284 E289 N290D284-D287 HydrophobicContact CB-CB 4.04Å; D284-D287 PolarHBondContact O-N 2.72Å; D284-D287 VanDerWaalsContact O-N 3.11Å; D287-E289 PolarHBondContact O-N 3.44Å; D287-E289 VanDerWaalsContact O-N 3.14Å; D287-E289 PolarHBondContact OD1-N 3.08Å; D287-N290 HydrophobicContact CB-CB 4.25Å; D287-N290 WeakPolarHBondContact O-CB 3.34Å; D287-N290 PolarHBondContact O-N 2.7Å; D287-N290 VanDerWaalsContact O-N 3.09Å
288P87Confident91.2Very high129 Ų12979.5 Ų79.584%0.83839%0.394SS*.THydrogen-bonded Turntrans-58.3-22.5174.4-22.934.3000114.7E286E286-P288 WeakPolarHBondContact O-CD 3.37Å
289E88.1Confident91Very high134 Ų13481.4 Ų81.463%0.62641%0.41SS*.THydrogen-bonded Turntrans-94.82.2179.8-63-173.4179.600113.1D287 E291 L292 L293D287-E289 PolarHBondContact O-N 3.44Å; D287-E289 VanDerWaalsContact O-N 3.14Å; D287-E289 PolarHBondContact OD1-N 3.08Å; E289-E291 VanDerWaalsContact C-N 3.3Å; E289-E291 PolarHBondContact O-N 3.11Å; E289-E291 VanDerWaalsContact O-N 3.16Å; E289-L292 WeakPolarHBondContact O-CB 3.37Å; E289-L292 PolarHBondContact O-N 3.1Å; E289-L293 PolarHBondContact O-N 2.81Å
290N90.3Very high90.8Very high31 Ų3181.4 Ų81.417%0.16641%0.409CS..Hα-helixtrans-52.1-42.8-176.7-177.960.1000113.3D284 D287 L292 L293 I294D284-N290 PolarHBondContact N-OD1 2.79Å; D284-N290 VanDerWaalsContact O-CB 3.27Å; D284-N290 WeakPolarHBondContact O-CB 3.34Å; D284-N290 VanDerWaalsContact O-CG 3.26Å; D284-N290 PolarHBondContact O-OD1 2.88Å; D287-N290 HydrophobicContact CB-CB 4.25Å; D287-N290 WeakPolarHBondContact O-CB 3.34Å; D287-N290 PolarHBondContact O-N 2.7Å; D287-N290 VanDerWaalsContact O-N 3.09Å; N290-L292 VanDerWaalsContact C-N 3.31Å; N290-L292 PolarHBondContact O-N 3.41Å; N290-L293 PolarHBondContact O-N 3.46Å; N290-I294 WeakPolarHBondContact O-CB 3.29Å; N290-I294 WeakPolarHBondContact O-CG1 3.37Å; N290-I294 PolarHBondContact O-N 2.85Å
291E89.1Confident90.9Very high134 Ų13477 Ų7763%0.62639%0.386SS*.Hα-helixtrans-62.9-37.1179.4-166.4-170.1152.800112.8E289 K295E289-E291 VanDerWaalsContact C-N 3.3Å; E289-E291 PolarHBondContact O-N 3.11Å; E289-E291 VanDerWaalsContact O-N 3.16Å; E291-K295 WeakPolarHBondContact O-CG 3.36Å; E291-K295 PolarHBondContact O-N 2.77Å; E291-K295 WeakPolarHBondContact OE1-CE 3.33Å; E291-K295 IonicContact OE1-NZ 2.75Å; E291-K295 PolarHBondContact OE1-NZ 2.87Å
292L88Confident90.8Very high126 Ų12675.9 Ų75.966%0.6638%0.383SS*.Hα-helixtrans-71.1-46.7177.1-80.7151.8000110.7E289 N290 I294 K295 E296E289-L292 WeakPolarHBondContact O-CB 3.37Å; E289-L292 PolarHBondContact O-N 3.1Å; N290-L292 VanDerWaalsContact C-N 3.31Å; N290-L292 PolarHBondContact O-N 3.41Å; L292-I294 VanDerWaalsContact C-N 3.33Å; L292-I294 PolarHBondContact O-N 2.72Å; L292-K295 PolarHBondContact O-N 3.44Å; L292-E296 PolarHBondContact O-N 3.34Å
293L91.2Very high90.7Very high46 Ų4680.3 Ų80.324%0.24140%0.404CS..Hα-helixtrans-56.2-48.1176.7177.263.4000111.1L242 E289 N290 K295 E296 V297L242-L293 HydrophobicContact CD1-CD1 4.11Å; L242-L293 HydrophobicContact CD2-CD1 3.74Å; E289-L293 PolarHBondContact O-N 2.81Å; N290-L293 PolarHBondContact O-N 3.46Å; L293-K295 PolarHBondContact O-N 3.26Å; L293-E296 WeakPolarHBondContact O-CB 3.5Å; L293-E296 PolarHBondContact O-N 2.96Å; L293-E296 VanDerWaalsContact O-N 3.14Å; L293-V297 HydrophobicContact CD1-CG2 4.38Å; L293-V297 WeakPolarHBondContact O-CG2 3.3Å; L293-V297 PolarHBondContact O-N 3.4Å
294I93.2Very high90.9Very high24 Ų2477.2 Ų77.212%0.12339%0.388CS..Hα-helixtrans-63.4-42.1-178.8-65.8-69.6000111.2V279 F282 I283 N290 L292 E296 V297 Y298V279-I294 HydrophobicContact CG1-CD1 3.7Å; V279-I294 HydrophobicContact CG1-CG2 3.81Å; F282-I294 HydrophobicContact CB-CD1 4.21Å; I283-I294 HydrophobicContact CG1-CD1 3.64Å; N290-I294 WeakPolarHBondContact O-CB 3.29Å; N290-I294 WeakPolarHBondContact O-CG1 3.37Å; N290-I294 PolarHBondContact O-N 2.85Å; L292-I294 VanDerWaalsContact C-N 3.33Å; L292-I294 PolarHBondContact O-N 2.72Å; I294-E296 VanDerWaalsContact C-N 3.31Å; I294-E296 PolarHBondContact O-N 3.18Å; I294-V297 PolarHBondContact O-N 3.47Å; I294-Y298 HydrophobicContact CG2-CD2 3.83Å; I294-Y298 HydrophobicContact CG2-CE2 3.58Å; I294-Y298 WeakPolarHBondContact O-CD2 3.21Å; I294-Y298 PolarHBondContact O-N 3.23Å
295K89.7Confident91.1Very high115 Ų11574 Ų7450%0.537%0.372SS..Hα-helixtrans-60.7-40.5173.7-76.1175.6-172.6167.20112.1E291 L292 L293 Y298 A299E291-K295 WeakPolarHBondContact O-CG 3.36Å; E291-K295 PolarHBondContact O-N 2.77Å; E291-K295 WeakPolarHBondContact OE1-CE 3.33Å; E291-K295 IonicContact OE1-NZ 2.75Å; E291-K295 PolarHBondContact OE1-NZ 2.87Å; L292-K295 PolarHBondContact O-N 3.44Å; L293-K295 PolarHBondContact O-N 3.26Å; K295-Y298 PolarHBondContact O-N 2.72Å; K295-A299 PolarHBondContact O-N 2.84Å
296E90.5Very high91.4Very high65 Ų6569.6 Ų69.630%0.30435%0.35SS..Hα-helixtrans-64.7-43.8175.9-172.2172.1-176.700111.4L242 L292 L293 I294 Y298 A299 I300L242-E296 HydrophobicContact CD2-CB 4.45Å; L242-E296 HydrophobicContact CD2-CG 3.95Å; L292-E296 PolarHBondContact O-N 3.34Å; L293-E296 WeakPolarHBondContact O-CB 3.5Å; L293-E296 PolarHBondContact O-N 2.96Å; L293-E296 VanDerWaalsContact O-N 3.14Å; I294-E296 VanDerWaalsContact C-N 3.31Å; I294-E296 PolarHBondContact O-N 3.18Å; E296-Y298 PolarHBondContact O-N 3.42Å; E296-A299 WeakPolarHBondContact O-CB 2.85Å; E296-A299 PolarHBondContact O-N 2.9Å; E296-A299 VanDerWaalsContact O-N 3.13Å; E296-I300 HydrophobicContact CG-CD1 4Å; E296-I300 VanDerWaalsContact O-CG1 3.31Å; E296-I300 WeakPolarHBondContact O-CG1 2.86Å; E296-I300 PolarHBondContact O-N 3.24Å
297V94.3Very high91.8Very high0 Ų065.3 Ų65.30%033%0.33CS..Hα-helixtrans-59-46175.4174.50000111.3L242 V246 V279 F282 L293 I294 A299 I300 L301L242-V297 HydrophobicContact CD1-CG2 4.1Å; L242-V297 HydrophobicContact CD2-CG2 4.39Å; V246-V297 HydrophobicContact CG2-CG1 4.15Å; V246-V297 HydrophobicContact CG2-CG2 4.38Å; V279-V297 HydrophobicContact CG2-CG1 3.87Å; F282-V297 HydrophobicContact CB-CG2 4.27Å; F282-V297 HydrophobicContact CD1-CG2 4.14Å; F282-V297 HydrophobicContact CD2-CG1 4.02Å; F282-V297 HydrophobicContact CD2-CG2 4.17Å; F282-V297 HydrophobicContact CE2-CG1 4.22Å; F282-V297 HydrophobicContact CG-CG2 3.94Å; L293-V297 HydrophobicContact CD1-CG2 4.38Å; L293-V297 WeakPolarHBondContact O-CG2 3.3Å; L293-V297 PolarHBondContact O-N 3.4Å; I294-V297 PolarHBondContact O-N 3.47Å; V297-A299 VanDerWaalsContact C-N 3.34Å; V297-A299 PolarHBondContact O-N 2.84Å; V297-I300 PolarHBondContact O-N 3.45Å; V297-L301 HydrophobicContact CG1-CD1 3.95Å; V297-L301 HydrophobicContact CG1-CG 4.39Å; V297-L301 WeakPolarHBondContact O-CB 3.37Å; V297-L301 VanDerWaalsContact O-CG 3.31Å; V297-L301 WeakPolarHBondContact O-CG 3.48Å; V297-L301 PolarHBondContact O-N 2.77Å
298Y94.2Very high92.1Very high70 Ų7063.9 Ų63.928%0.27532%0.321SS..Hα-helixtrans-61.2-40.3174.6-81.8-71.7000112.6K275 E276 V279 I294 K295 E296 L301 N302K275-Y298 HydrophobicContact CB-CE1 4.36Å; E276-Y298 PolarHBondContact OE1-OH 3.46Å; V279-Y298 HydrophobicContact CB-CE2 4.47Å; V279-Y298 HydrophobicContact CG1-CE2 3.89Å; V279-Y298 HydrophobicContact CG2-CD1 4.04Å; V279-Y298 HydrophobicContact CG2-CD2 4.14Å; V279-Y298 HydrophobicContact CG2-CE1 3.79Å; V279-Y298 HydrophobicContact CG2-CE2 3.87Å; V279-Y298 HydrophobicContact CG2-CG 4.21Å; I294-Y298 HydrophobicContact CG2-CD2 3.83Å; I294-Y298 HydrophobicContact CG2-CE2 3.58Å; I294-Y298 WeakPolarHBondContact O-CD2 3.21Å; I294-Y298 PolarHBondContact O-N 3.23Å; K295-Y298 PolarHBondContact O-N 2.72Å; E296-Y298 PolarHBondContact O-N 3.42Å; Y298-L301 PolarHBondContact O-N 3.02Å; Y298-N302 WeakPolarHBondContact O-CB 3.46Å; Y298-N302 VanDerWaalsContact O-CG 3.28Å; Y298-N302 PolarHBondContact O-N 2.76Å; Y298-N302 PolarHBondContact O-ND2 3.26Å; Y298-N302 VanDerWaalsContact O-ND2 3.14Å
299A90.1Very high92.5Very high40 Ų4057.9 Ų57.933%0.33128%0.282SS..Hα-helixtrans-64.6-39.6177.400000112.1K295 E296 V297 E303K295-A299 PolarHBondContact O-N 2.84Å; E296-A299 WeakPolarHBondContact O-CB 2.85Å; E296-A299 PolarHBondContact O-N 2.9Å; E296-A299 VanDerWaalsContact O-N 3.13Å; V297-A299 VanDerWaalsContact C-N 3.34Å; V297-A299 PolarHBondContact O-N 2.84Å; A299-E303 PolarHBondContact O-N 3.47Å
300I93.8Very high92.8Very high2 Ų253 Ų531%0.0126%0.258CS..Hα-helixtrans-64.7-48.1173.9-66.1165.5000110.3L242 V243 V246 E296 V297 N302 E303 L304L242-I300 HydrophobicContact CB-CD1 4.49Å; L242-I300 HydrophobicContact CD2-CD1 3.82Å; L242-I300 HydrophobicContact CG-CD1 3.81Å; V243-I300 HydrophobicContact CG2-CD1 3.86Å; V243-I300 HydrophobicContact CG2-CG1 4.13Å; V243-I300 HydrophobicContact CG2-CG2 4.48Å; V246-I300 HydrophobicContact CB-CG2 3.85Å; V246-I300 HydrophobicContact CG1-CB 4.45Å; V246-I300 HydrophobicContact CG1-CG2 3.76Å; V246-I300 HydrophobicContact CG2-CG2 4.3Å; E296-I300 HydrophobicContact CG-CD1 4Å; E296-I300 VanDerWaalsContact O-CG1 3.31Å; E296-I300 WeakPolarHBondContact O-CG1 2.86Å; E296-I300 PolarHBondContact O-N 3.24Å; V297-I300 PolarHBondContact O-N 3.45Å; I300-N302 VanDerWaalsContact C-N 3.32Å; I300-N302 PolarHBondContact O-N 2.87Å; I300-E303 PolarHBondContact O-N 3.16Å; I300-E303 VanDerWaalsContact O-N 3.11Å; I300-L304 HydrophobicContact CG2-CD1 3.82Å; I300-L304 HydrophobicContact CG2-CG 4.22Å; I300-L304 WeakPolarHBondContact O-CG 3.33Å; I300-L304 PolarHBondContact O-N 3.32Å
301L96Very high93Very high3 Ų354.4 Ų54.42%0.01626%0.261CS..Hα-helixtrans-56.8-44.6177.8-76.4168.8000112.1V246 T250 K275 I278 V279 V297 Y298 E303 L304 V305V246-L301 HydrophobicContact CG1-CD2 3.61Å; V246-L301 HydrophobicContact CG1-CG 3.83Å; T250-L301 HydrophobicContact CG2-CD2 3.55Å; K275-L301 HydrophobicContact CB-CD1 4.13Å; K275-L301 HydrophobicContact CG-CB 4.29Å; K275-L301 HydrophobicContact CG-CD1 4.16Å; I278-L301 HydrophobicContact CB-CD1 4.34Å; I278-L301 HydrophobicContact CB-CD2 4.28Å; I278-L301 HydrophobicContact CD1-CD2 3.69Å; I278-L301 HydrophobicContact CG2-CD1 4.27Å; I278-L301 HydrophobicContact CG2-CD2 4.02Å; V279-L301 HydrophobicContact CG2-CD1 3.74Å; V297-L301 HydrophobicContact CG1-CD1 3.95Å; V297-L301 HydrophobicContact CG1-CG 4.39Å; V297-L301 WeakPolarHBondContact O-CB 3.37Å; V297-L301 VanDerWaalsContact O-CG 3.31Å; V297-L301 WeakPolarHBondContact O-CG 3.48Å; V297-L301 PolarHBondContact O-N 2.77Å; Y298-L301 PolarHBondContact O-N 3.02Å; L301-E303 VanDerWaalsContact C-N 3.31Å; L301-E303 PolarHBondContact O-N 2.89Å; L301-L304 PolarHBondContact O-N 3.11Å; L301-V305 VanDerWaalsContact O-CG2 3.22Å; L301-V305 WeakPolarHBondContact O-CG2 3.42Å; L301-V305 PolarHBondContact O-N 3.36Å
302N93.1Very high93.2Very high79 Ų7948.1 Ų48.142%0.42223%0.231SC..Hα-helixtrans-63.6-36.5177.9-73.1-34.7000112.5K275 Y298 I300 K306K275-N302 WeakPolarHBondContact CE-OD1 3.07Å; K275-N302 PolarHBondContact NZ-OD1 2.89Å; Y298-N302 WeakPolarHBondContact O-CB 3.46Å; Y298-N302 VanDerWaalsContact O-CG 3.28Å; Y298-N302 PolarHBondContact O-N 2.76Å; Y298-N302 PolarHBondContact O-ND2 3.26Å; Y298-N302 VanDerWaalsContact O-ND2 3.14Å; I300-N302 VanDerWaalsContact C-N 3.32Å; I300-N302 PolarHBondContact O-N 2.87Å; N302-K306 WeakPolarHBondContact O-CB 3.4Å; N302-K306 PolarHBondContact O-N 2.8Å; N302-K306 VanDerWaalsContact O-N 3.09Å
303E91.9Very high93.6Very high105 Ų10542.2 Ų42.249%0.49120%0.2SC..Hα-helixtrans-70.6-39.8174-79.9-171.4-17800113R238 A299 I300 L301 K306 E307R238-E303 IonicContact CZ-OE1 2.67Å; R238-E303 IonicContact CZ-OE2 3.55Å; R238-E303 IonicContact NE-OE2 3.69Å; R238-E303 VanDerWaalsContact NH1-CD 3.29Å; R238-E303 IonicContact NH1-OE1 2.6Å; R238-E303 IonicContact NH1-OE2 3.9Å; R238-E303 PolarHBondContact NH1-OE2 3.21Å; R238-E303 IonicContact NH2-OE1 3.38Å; R238-E303 PolarHBondContact NH2-OE1 2.92Å; R238-E303 IonicContact NH2-OE2 3.61Å; R238-E303 PolarHBondContact NH2-OE2 3.3Å; R238-E303 VanDerWaalsContact NH2-OE2 3.09Å; A299-E303 PolarHBondContact O-N 3.47Å; I300-E303 PolarHBondContact O-N 3.16Å; I300-E303 VanDerWaalsContact O-N 3.11Å; L301-E303 VanDerWaalsContact C-N 3.31Å; L301-E303 PolarHBondContact O-N 2.89Å; E303-K306 CarbonylContact O-C 3.57Å; E303-K306 WeakPolarHBondContact O-CB 3.23Å; E303-K306 PolarHBondContact O-N 3.36Å; E303-E307 WeakPolarHBondContact O-CB 3.44Å; E303-E307 PolarHBondContact O-N 2.6Å
304L95.3Very high93.7Very high15 Ų1540.1 Ų40.18%0.07919%0.19CC..Hα-helixtrans-64.8-40.7175.9-70.4171.8000111.7V246 K247 T250 L255 I300 L301 K306 E307 E308V246-L304 HydrophobicContact CB-CD1 4.38Å; V246-L304 HydrophobicContact CG1-CD1 3.77Å; K247-L304 HydrophobicContact CB-CD1 4.18Å; K247-L304 HydrophobicContact CB-CD2 4.2Å; K247-L304 HydrophobicContact CD-CD2 4.5Å; K247-L304 HydrophobicContact CG-CD2 4.18Å; T250-L304 HydrophobicContact CG2-CD1 3.97Å; L255-L304 HydrophobicContact CD2-CB 4.41Å; I300-L304 HydrophobicContact CG2-CD1 3.82Å; I300-L304 HydrophobicContact CG2-CG 4.22Å; I300-L304 WeakPolarHBondContact O-CG 3.33Å; I300-L304 PolarHBondContact O-N 3.32Å; L301-L304 PolarHBondContact O-N 3.11Å; L304-K306 VanDerWaalsContact C-N 3.32Å; L304-K306 PolarHBondContact O-N 2.85Å; L304-E307 PolarHBondContact O-N 2.92Å; L304-E308 WeakPolarHBondContact O-CB 3.42Å; L304-E308 PolarHBondContact O-N 3.05Å
305V95.3Very high93.6Very high13 Ų1342.9 Ų42.98%0.07921%0.205CC..Hα-helixtrans-58.9-46.5171.8171.80000110.2L255 L271 L301 E307 E308 V309L255-V305 HydrophobicContact CD1-CG2 3.79Å; L271-V305 HydrophobicContact CD1-CG1 4.39Å; L271-V305 HydrophobicContact CD2-CG1 4.17Å; L271-V305 HydrophobicContact CD2-CG2 4.01Å; L301-V305 VanDerWaalsContact O-CG2 3.22Å; L301-V305 WeakPolarHBondContact O-CG2 3.42Å; L301-V305 PolarHBondContact O-N 3.36Å; V305-E307 PolarHBondContact O-N 3.43Å; V305-E308 PolarHBondContact O-N 3.26Å; V305-V309 VanDerWaalsContact O-CG2 3.29Å; V305-V309 WeakPolarHBondContact O-CG2 3.25Å; V305-V309 PolarHBondContact O-N 3.48Å
306K94.3Very high93.7Very high90 Ų9040.8 Ų40.839%0.39120%0.197SC..Hα-helixtrans-59.4-46.9176.2177177.3178.8-179.30111.5N302 E303 L304 R310 L492N302-K306 WeakPolarHBondContact O-CB 3.4Å; N302-K306 PolarHBondContact O-N 2.8Å; N302-K306 VanDerWaalsContact O-N 3.09Å; E303-K306 CarbonylContact O-C 3.57Å; E303-K306 WeakPolarHBondContact O-CB 3.23Å; E303-K306 PolarHBondContact O-N 3.36Å; L304-K306 VanDerWaalsContact C-N 3.32Å; L304-K306 PolarHBondContact O-N 2.85Å; K306-R310 WeakPolarHBondContact O-CB 3.25Å; K306-R310 WeakPolarHBondContact O-CD 3.37Å; K306-R310 WeakPolarHBondContact O-CG 3.46Å; K306-R310 PolarHBondContact O-N 3.34Å; K306-R310 VanDerWaalsContact O-N 3.07Å; K306-L492 HydrophobicContact CB-CD2 3.99Å; K306-L492 HydrophobicContact CD-CD2 4.34Å; K306-L492 HydrophobicContact CG-CB 4.37Å; K306-L492 HydrophobicContact CG-CD2 3.98Å
307E94.1Very high93.8Very high91 Ų9142.1 Ų42.143%0.42520%0.202SC..Hα-helixtrans-63.3-44.5-179.9-172.8178.6-176.600111.5E303 L304 V305 R310 R311 R475E303-E307 WeakPolarHBondContact O-CB 3.44Å; E303-E307 PolarHBondContact O-N 2.6Å; L304-E307 PolarHBondContact O-N 2.92Å; V305-E307 PolarHBondContact O-N 3.43Å; E307-R310 PolarHBondContact O-N 2.9Å; E307-R311 WeakPolarHBondContact O-CB 3.29Å; E307-R311 PolarHBondContact O-N 2.86Å; E307-R475 IonicContact OE1-NH2 2.72Å; E307-R475 PolarHBondContact OE1-NH2 2.73Å
308E95.4Very high93.7Very high30 Ų3044.9 Ų44.914%0.1422%0.216CC..Hα-helixtrans-65.2-44.5-178.8-175.659.6-165.200111.7L255 K256 V259 L304 V305 R310 R311 L312L255-E308 HydrophobicContact CD2-CB 3.9Å; L255-E308 HydrophobicContact CD2-CG 4.23Å; L255-E308 HydrophobicContact CG-CB 4.29Å; L255-E308 HydrophobicContact CG-CG 4.16Å; K256-E308 WeakPolarHBondContact CB-OE1 3.49Å; V259-E308 HydrophobicContact CG2-CG 4.48Å; L304-E308 WeakPolarHBondContact O-CB 3.42Å; L304-E308 PolarHBondContact O-N 3.05Å; V305-E308 PolarHBondContact O-N 3.26Å; E308-R310 VanDerWaalsContact C-N 3.3Å; E308-R310 PolarHBondContact O-N 3.46Å; E308-R311 PolarHBondContact O-N 3.26Å; E308-R311 IonicContact OE1-CZ 2.77Å; E308-R311 IonicContact OE1-NE 3.02Å; E308-R311 PolarHBondContact OE1-NE 3.41Å; E308-R311 IonicContact OE1-NH2 3.9Å; E308-R311 PolarHBondContact OE1-NH2 2.91Å; E308-R311 IonicContact OE2-CZ 3.46Å; E308-R311 IonicContact OE2-NE 3.8Å; E308-R311 PolarHBondContact OE2-NE 3.38Å; E308-R311 IonicContact OE2-NH2 3.73Å; E308-L312 HydrophobicContact CG-CD1 4.21Å; E308-L312 VanDerWaalsContact O-CG 3.28Å; E308-L312 WeakPolarHBondContact O-CG 3.46Å; E308-L312 PolarHBondContact O-N 3.43Å
309V94.8Very high93.7Very high2 Ų241.6 Ų41.61%0.01220%0.203CC..Hα-helixtrans-57.1-46.1173.1171.60000110.5V259 V305 L312 I313 P320 M488 L492V259-V309 HydrophobicContact CG1-CB 4.47Å; V259-V309 HydrophobicContact CG1-CG2 3.5Å; V259-V309 HydrophobicContact CG2-CG2 4.14Å; V305-V309 VanDerWaalsContact O-CG2 3.29Å; V305-V309 WeakPolarHBondContact O-CG2 3.25Å; V305-V309 PolarHBondContact O-N 3.48Å; V309-L312 PolarHBondContact O-N 3.05Å; V309-I313 HydrophobicContact CG1-CD1 3.77Å; V309-I313 VanDerWaalsContact O-CG1 3.31Å; V309-I313 WeakPolarHBondContact O-CG1 3.43Å; V309-I313 PolarHBondContact O-N 3.49Å; V309-I313 VanDerWaalsContact O-N 3.14Å; V309-P320 HydrophobicContact CG1-CG 4.17Å; V309-M488 HydrophobicContact CG2-SD 4.04Å; V309-L492 HydrophobicContact CB-CD1 3.98Å; V309-L492 HydrophobicContact CG1-CD1 4.02Å; V309-L492 HydrophobicContact CG2-CD1 3.86Å
310R95.1Very high93.8Very high33 Ų3339.9 Ų39.913%0.12519%0.188CC..Hα-helixtrans-66.3-40.8-179.6-69.91727289.71.9112K306 E307 E308 I313 A314 V473 T474 R475 L492 D494K306-R310 WeakPolarHBondContact O-CB 3.25Å; K306-R310 WeakPolarHBondContact O-CD 3.37Å; K306-R310 WeakPolarHBondContact O-CG 3.46Å; K306-R310 PolarHBondContact O-N 3.34Å; K306-R310 VanDerWaalsContact O-N 3.07Å; E307-R310 PolarHBondContact O-N 2.9Å; E308-R310 VanDerWaalsContact C-N 3.3Å; E308-R310 PolarHBondContact O-N 3.46Å; R310-I313 PolarHBondContact O-N 3.21Å; R310-A314 VanDerWaalsContact O-CB 3.29Å; R310-A314 WeakPolarHBondContact O-CB 3.34Å; R310-A314 PolarHBondContact O-N 3.36Å; R310-V473 HydrophobicContact CB-CG1 3.86Å; R310-V473 HydrophobicContact CG-CG1 3.93Å; R310-T474 PolarHBondContact NH2-O 3.45Å; R310-R475 HydrophobicContact CB-CG 4.4Å; R310-L492 PolarHBondContact NH1-O 3.26Å; R310-D494 IonicContact CZ-OD1 2.72Å; R310-D494 IonicContact CZ-OD2 2.79Å; R310-D494 VanDerWaalsContact NH1-CG 3.3Å; R310-D494 IonicContact NH1-OD1 3.92Å; R310-D494 PolarHBondContact NH1-OD1 3.38Å; R310-D494 IonicContact NH1-OD2 3.82Å; R310-D494 PolarHBondContact NH1-OD2 2.94Å; R310-D494 VanDerWaalsContact NH1-OD2 3.15Å; R310-D494 VanDerWaalsContact NH2-CG 3.33Å; R310-D494 IonicContact NH2-OD1 3.34Å; R310-D494 PolarHBondContact NH2-OD1 2.97Å; R310-D494 IonicContact NH2-OD2 3.44Å; R310-D494 PolarHBondContact NH2-OD2 2.93Å
311R94.4Very high93.7Very high60 Ų6040.3 Ų40.323%0.22619%0.191CC..Hα-helixtrans-60.3-48.6176.9-178.3-172.482.265.910.1110.9E307 E308 I313 D315 E316 R475E307-R311 WeakPolarHBondContact O-CB 3.29Å; E307-R311 PolarHBondContact O-N 2.86Å; E308-R311 PolarHBondContact O-N 3.26Å; E308-R311 IonicContact OE1-CZ 2.77Å; E308-R311 IonicContact OE1-NE 3.02Å; E308-R311 PolarHBondContact OE1-NE 3.41Å; E308-R311 IonicContact OE1-NH2 3.9Å; E308-R311 PolarHBondContact OE1-NH2 2.91Å; E308-R311 IonicContact OE2-CZ 3.46Å; E308-R311 IonicContact OE2-NE 3.8Å; E308-R311 PolarHBondContact OE2-NE 3.38Å; E308-R311 IonicContact OE2-NH2 3.73Å; R311-I313 VanDerWaalsContact C-N 3.3Å; R311-I313 PolarHBondContact O-N 3Å; R311-D315 WeakPolarHBondContact CG-OD2 3.16Å; R311-D315 WeakPolarHBondContact O-CA 3.43Å; R311-D315 WeakPolarHBondContact O-CB 3.2Å; R311-D315 PolarHBondContact O-N 3.46Å; R311-E316 IonicContact CZ-OE1 3.55Å; R311-E316 VanDerWaalsContact CZ-OE1 3.28Å; R311-E316 IonicContact NH1-OE1 3.55Å; R311-E316 PolarHBondContact NH1-OE1 2.83Å; R311-E316 IonicContact NH2-OE1 2.72Å; R311-E316 PolarHBondContact NH2-OE1 2.78Å; R311-E316 PolarHBondContact O-N 2.96Å; R311-R475 VanDerWaalsContact CB-NH1 3.33Å; R311-R475 VanDerWaalsContact CG-NH1 3.28Å
312L93.6Very high93.5Very high2 Ų242.9 Ų42.91%0.0122%0.217CC..Iπ-helixtrans-59.4-42.4178.2-69.5167.9000111.6K256 V259 L260 E308 V309 E316 K317 I318K256-L312 HydrophobicContact CD-CD2 4.19Å; K256-L312 HydrophobicContact CG-CD2 4.19Å; V259-L312 HydrophobicContact CB-CD1 4.4Å; V259-L312 HydrophobicContact CG1-CD1 3.78Å; L260-L312 HydrophobicContact CD2-CD1 4.06Å; L260-L312 HydrophobicContact CG-CD1 4.18Å; E308-L312 HydrophobicContact CG-CD1 4.21Å; E308-L312 VanDerWaalsContact O-CG 3.28Å; E308-L312 WeakPolarHBondContact O-CG 3.46Å; E308-L312 PolarHBondContact O-N 3.43Å; V309-L312 PolarHBondContact O-N 3.05Å; L312-E316 CarbonylContact O-C 3.58Å; L312-E316 WeakPolarHBondContact O-CA 3.35Å; L312-E316 WeakPolarHBondContact O-CB 3.5Å; L312-E316 PolarHBondContact O-N 3.12Å; L312-K317 PolarHBondContact O-N 3.42Å; L312-I318 CarbonylContact C-O 3.58Å; L312-I318 VanDerWaalsContact C-O 3.24Å; L312-I318 PolarHBondContact O-N 3.15Å
313I94.8Very high93.5Very high2 Ų239.7 Ų39.71%0.0120%0.199CC..Iπ-helixtrans-74.7-48.1-177.9-68.4169.2000112.6V309 R310 R311 K317 I318 V473 T480 L482 E489V309-I313 HydrophobicContact CG1-CD1 3.77Å; V309-I313 VanDerWaalsContact O-CG1 3.31Å; V309-I313 WeakPolarHBondContact O-CG1 3.43Å; V309-I313 PolarHBondContact O-N 3.49Å; V309-I313 VanDerWaalsContact O-N 3.14Å; R310-I313 PolarHBondContact O-N 3.21Å; R311-I313 VanDerWaalsContact C-N 3.3Å; R311-I313 PolarHBondContact O-N 3Å; I313-K317 WeakPolarHBondContact O-CA 3.19Å; I313-K317 WeakPolarHBondContact O-CD 3.43Å; I313-I318 PolarHBondContact N-O 3.21Å; I313-V473 HydrophobicContact CB-CB 4.45Å; I313-V473 HydrophobicContact CB-CG2 4.28Å; I313-V473 HydrophobicContact CD1-CG2 4.16Å; I313-V473 HydrophobicContact CG2-CB 3.81Å; I313-V473 HydrophobicContact CG2-CG1 4.35Å; I313-V473 HydrophobicContact CG2-CG2 3.72Å; I313-T480 HydrophobicContact CG2-CG2 4.13Å; I313-T480 PolarHBondContact O-OG1 3.24Å; I313-L482 HydrophobicContact CD1-CD1 4.28Å; I313-L482 HydrophobicContact CG2-CD1 4.13Å; I313-L482 HydrophobicContact CG2-CD2 3.76Å; I313-L482 HydrophobicContact CG2-CG 4.32Å; I313-E489 HydrophobicContact CD1-CG 4.2Å
314A92.9Very high93.7Very high2 Ų241.1 Ų41.12%0.01720%0.204CC..Iπ-helixtrans-74-43.5-176.100000112R310 K317 V473 R475 T480R310-A314 VanDerWaalsContact O-CB 3.29Å; R310-A314 WeakPolarHBondContact O-CB 3.34Å; R310-A314 PolarHBondContact O-N 3.36Å; A314-K317 WeakPolarHBondContact O-CE 3.4Å; A314-K317 PolarHBondContact O-NZ 2.82Å; A314-V473 HydrophobicContact CB-CG1 4.16Å; A314-R475 HydrophobicContact CB-CB 3.97Å; A314-R475 HydrophobicContact CB-CG 3.74Å; A314-T480 WeakPolarHBondContact CA-OG1 3.25Å
315D91.9Very high93.7Very high82 Ų8241.7 Ų41.744%0.43921%0.208SC..Iπ-helixtrans-96.7-50.1-168.3-48.52.9000111R311 R475R311-D315 WeakPolarHBondContact CG-OD2 3.16Å; R311-D315 WeakPolarHBondContact O-CA 3.43Å; R311-D315 WeakPolarHBondContact O-CB 3.2Å; R311-D315 PolarHBondContact O-N 3.46Å; D315-R475 IonicContact OD1-NH1 2.68Å; D315-R475 PolarHBondContact OD1-NH1 2.77Å; D315-R475 IonicContact OD2-NH1 2.93Å; D315-R475 PolarHBondContact OD2-NH1 2.8Å
316E91.4Very high93.7Very high71 Ų7145.4 Ų45.433%0.33223%0.228SC..Iπ-helixtrans-87.6-12.1-177.8-62.7-171.9-141.400112.9K256 R311 L312 I318K256-E316 VanDerWaalsContact NZ-CD 3.25Å; K256-E316 IonicContact NZ-OE1 2.64Å; K256-E316 PolarHBondContact NZ-OE1 3.02Å; K256-E316 IonicContact NZ-OE2 3.84Å; K256-E316 PolarHBondContact NZ-OE2 2.95Å; R311-E316 IonicContact CZ-OE1 3.55Å; R311-E316 VanDerWaalsContact CZ-OE1 3.28Å; R311-E316 IonicContact NH1-OE1 3.55Å; R311-E316 PolarHBondContact NH1-OE1 2.83Å; R311-E316 IonicContact NH2-OE1 2.72Å; R311-E316 PolarHBondContact NH2-OE1 2.78Å; R311-E316 PolarHBondContact O-N 2.96Å; L312-E316 CarbonylContact O-C 3.58Å; L312-E316 WeakPolarHBondContact O-CA 3.35Å; L312-E316 WeakPolarHBondContact O-CB 3.5Å; L312-E316 PolarHBondContact O-N 3.12Å; E316-I318 HydrophobicContact CB-CB 4.43Å; E316-I318 HydrophobicContact CB-CD1 3.98Å; E316-I318 HydrophobicContact CB-CG1 4.05Å; E316-I318 PolarHBondContact O-N 3.03Å
317K93Very high93.8Very high93 Ų9345.3 Ų45.340%0.40423%0.229SC..  trans55.831.6-172.6-51.1-53.5-169.4-164.90112.9L312 I313 A314 P325 Y479 T480L312-K317 PolarHBondContact O-N 3.42Å; I313-K317 WeakPolarHBondContact O-CA 3.19Å; I313-K317 WeakPolarHBondContact O-CD 3.43Å; A314-K317 WeakPolarHBondContact O-CE 3.4Å; A314-K317 PolarHBondContact O-NZ 2.82Å; K317-P325 HydrophobicContact CB-CG 4.04Å; K317-Y479 PolarHBondContact NZ-O 2.71Å; K317-T480 HydrophobicContact CD-CG2 4.22Å; K317-T480 VanDerWaalsContact CD-OG1 3.26Å; K317-T480 WeakPolarHBondContact CD-OG1 3.48Å; K317-T480 PolarHBondContact NZ-OG1 3.12Å
318I91.5Very high94Very high58 Ų5841.7 Ų41.730%0.29721%0.212SC..  trans-109.3127.8178.5-60.4173.7000108.7L260 L312 I313 E316L260-I318 HydrophobicContact CD2-CG2 3.61Å; L312-I318 CarbonylContact C-O 3.58Å; L312-I318 VanDerWaalsContact C-O 3.24Å; L312-I318 PolarHBondContact O-N 3.15Å; I313-I318 PolarHBondContact N-O 3.21Å; E316-I318 HydrophobicContact CB-CB 4.43Å; E316-I318 HydrophobicContact CB-CD1 3.98Å; E316-I318 HydrophobicContact CB-CG1 4.05Å; E316-I318 PolarHBondContact O-N 3.03Å
319R95.1Very high94.1Very high1 Ų140.6 Ų40.60%0.00421%0.207CC..  trans-90159.6176.1-63.8174.373.6168.77.8111.1D321 G322 R323 K324 E327 L482 T483 D484 E489R319-D321 WeakPolarHBondContact CB-OD1 3.33Å; R319-D321 PolarHBondContact O-N 3.18Å; R319-D321 VanDerWaalsContact O-N 3.09Å; R319-G322 WeakPolarHBondContact O-CA 3.39Å; R319-G322 PolarHBondContact O-N 2.96Å; R319-R323 WeakPolarHBondContact CB-O 3.23Å; R319-R323 WeakPolarHBondContact CD-O 3.42Å; R319-R323 WeakPolarHBondContact CG-O 3.31Å; R319-R323 VanDerWaalsContact CZ-NH2 3.26Å; R319-R323 PolarHBondContact N-O 3.5Å; R319-R323 VanDerWaalsContact NH1-CZ 3.31Å; R319-K324 VanDerWaalsContact CD-O 3.25Å; R319-K324 WeakPolarHBondContact CD-O 3.43Å; R319-K324 PolarHBondContact NH1-O 2.83Å; R319-E327 PolarHBondContact NH1-O 3.11Å; R319-L482 HydrophobicContact CG-CD2 4.22Å; R319-T483 PolarHBondContact NH1-O 2.78Å; R319-T483 PolarHBondContact NH2-O 2.89Å; R319-D484 PolarHBondContact NH2-O 2.78Å; R319-E489 IonicContact CZ-OE1 3.95Å; R319-E489 IonicContact CZ-OE2 2.67Å; R319-E489 IonicContact NE-OE1 3.32Å; R319-E489 PolarHBondContact NE-OE1 2.77Å; R319-E489 IonicContact NE-OE2 2.76Å; R319-E489 IonicContact NH2-OE1 2.76Å; R319-E489 PolarHBondContact NH2-OE1 2.78Å; R319-E489 IonicContact NH2-OE2 2.69Å; R319-E489 PolarHBondContact NH2-OE2 3.05Å
320P92.4Very high94.2Very high3 Ų345.2 Ų45.22%0.01924%0.237CC..THydrogen-bonded Turntrans-55.3-27.4178.8-29.437.8000114.7L260 R267 V309 M488L260-P320 CarbonylContact C-O 3.57Å; R267-P320 PolarHBondContact NH1-O 2.93Å; V309-P320 HydrophobicContact CG1-CG 4.17Å; P320-M488 HydrophobicContact CB-SD 4.29Å; P320-M488 HydrophobicContact CG-SD 4.14Å
321D92Very high94.4Very high12 Ų1245.2 Ų45.26%0.06424%0.239CC..THydrogen-bonded Turntrans-96.610.817563.8-1.2000113.7F262 R319 R323 Q486F262-D321 HydrophobicContact CD2-CB 3.96Å; F262-D321 WeakPolarHBondContact CD2-O 3.38Å; F262-D321 HydrophobicContact CE2-CB 4.08Å; F262-D321 WeakPolarHBondContact CE2-O 3.32Å; R319-D321 WeakPolarHBondContact CB-OD1 3.33Å; R319-D321 PolarHBondContact O-N 3.18Å; R319-D321 VanDerWaalsContact O-N 3.09Å; D321-R323 PolarHBondContact O-N 2.92Å; D321-R323 WeakPolarHBondContact OD1-CB 3.27Å; D321-R323 PolarHBondContact OD1-N 2.99Å; D321-R323 IonicContact OD1-NE 3.48Å; D321-R323 PolarHBondContact OD1-NE 2.89Å; D321-R323 IonicContact OD2-CZ 2.8Å; D321-R323 IonicContact OD2-NE 2.76Å; D321-R323 PolarHBondContact OD2-NE 3.15Å; D321-R323 IonicContact OD2-NH2 3.49Å; D321-R323 PolarHBondContact OD2-NH2 2.64Å; D321-R323 VanDerWaalsContact OD2-NH2 3.08Å; D321-Q486 VanDerWaalsContact CG-NE2 3.29Å; D321-Q486 PolarHBondContact OD2-NE2 2.78Å
322G91Very high94.6Very high56 Ų5646.3 Ų46.358%0.57725%0.249SC*.SBendtrans75-0.9179.400000115.4R319R319-G322 WeakPolarHBondContact O-CA 3.39Å; R319-G322 PolarHBondContact O-N 2.96Å
323R94Very high94.8Very high12 Ų1246.6 Ų46.65%0.04525%0.252CS..  trans-65.3156.5176.6-77.1-168.9-64.8151-4.3112.2R319 D321 E327 T483 D484R319-R323 WeakPolarHBondContact CB-O 3.23Å; R319-R323 WeakPolarHBondContact CD-O 3.42Å; R319-R323 WeakPolarHBondContact CG-O 3.31Å; R319-R323 VanDerWaalsContact CZ-NH2 3.26Å; R319-R323 PolarHBondContact N-O 3.5Å; R319-R323 VanDerWaalsContact NH1-CZ 3.31Å; D321-R323 PolarHBondContact O-N 2.92Å; D321-R323 WeakPolarHBondContact OD1-CB 3.27Å; D321-R323 PolarHBondContact OD1-N 2.99Å; D321-R323 IonicContact OD1-NE 3.48Å; D321-R323 PolarHBondContact OD1-NE 2.89Å; D321-R323 IonicContact OD2-CZ 2.8Å; D321-R323 IonicContact OD2-NE 2.76Å; D321-R323 PolarHBondContact OD2-NE 3.15Å; D321-R323 IonicContact OD2-NH2 3.49Å; D321-R323 PolarHBondContact OD2-NH2 2.64Å; D321-R323 VanDerWaalsContact OD2-NH2 3.08Å; R323-E327 WeakPolarHBondContact CA-OE2 3.34Å; R323-E327 HydrophobicContact CB-CB 4.19Å; R323-E327 HydrophobicContact CB-CG 4.34Å; R323-E327 HydrophobicContact CG-CB 4.42Å; R323-E327 HydrophobicContact CG-CG 4.06Å; R323-E327 PolarHBondContact NH1-O 2.92Å; R323-T483 PolarHBondContact NH1-O 2.77Å; R323-D484 PolarHBondContact NH1-O 2.83Å; R323-D484 VanDerWaalsContact NH1-O 3.1Å; R323-D484 IonicContact NH1-OD2 3.15Å; R323-D484 PolarHBondContact NH1-OD2 3.49Å; R323-D484 PolarHBondContact NH2-O 3.44Å; R323-D484 VanDerWaalsContact NH2-O 3.11Å
324K94.4Very high95Very high136 Ų13650.8 Ų50.859%0.59127%0.271SS*.  trans-70.6159.9165.1-61.6178.2-173.4172.80111.4R319 D326 E327R319-K324 VanDerWaalsContact CD-O 3.25Å; R319-K324 WeakPolarHBondContact CD-O 3.43Å; R319-K324 PolarHBondContact NH1-O 2.83Å; K324-D326 WeakPolarHBondContact CB-OD1 3.5Å; K324-D326 PolarHBondContact O-N 2.68Å; K324-E327 HydrophobicContact CB-CB 4.06Å; K324-E327 PolarHBondContact N-OE2 3.29Å; K324-E327 PolarHBondContact O-N 3.41Å
325P95.6Very high95.2Very high26 Ų2652.3 Ų52.317%0.16928%0.28CS..THydrogen-bonded Turntrans-55.1-31.8175.8-29.437.7000114.7K317 T480 L482 T483 Q529K317-P325 HydrophobicContact CB-CG 4.04Å; P325-T480 HydrophobicContact CB-CG2 3.6Å; P325-T480 HydrophobicContact CG-CG2 3.66Å; P325-L482 HydrophobicContact CB-CD2 4.28Å; P325-L482 CarbonylContact O-C 3.57Å; P325-L482 WeakPolarHBondContact O-CA 3.36Å; P325-T483 PolarHBondContact O-N 3.28Å; P325-Q529 PolarHBondContact O-NE2 2.96Å
326D96.2Very high95.4Very high92 Ų9250.1 Ų50.149%0.49228%0.277SS..THydrogen-bonded Turntrans-101.95.2-176.463.5-23.5000114.7K324K324-D326 WeakPolarHBondContact CB-OD1 3.5Å; K324-D326 PolarHBondContact O-N 2.68Å
327E96.7Very high95.7Very high88 Ų8850.3 Ų50.341%0.41128%0.28SS..PPolyproline II helixtrans-90.2132.5-175.1-178.4176.917800111.9R319 R323 K324R319-E327 PolarHBondContact NH1-O 3.11Å; R323-E327 WeakPolarHBondContact CA-OE2 3.34Å; R323-E327 HydrophobicContact CB-CB 4.19Å; R323-E327 HydrophobicContact CB-CG 4.34Å; R323-E327 HydrophobicContact CG-CB 4.42Å; R323-E327 HydrophobicContact CG-CG 4.06Å; R323-E327 PolarHBondContact NH1-O 2.92Å; K324-E327 HydrophobicContact CB-CB 4.06Å; K324-E327 PolarHBondContact N-OE2 3.29Å; K324-E327 PolarHBondContact O-N 3.41Å
328I97.8Very high95.9Very high14 Ų1448.6 Ų48.67%0.07228%0.275CS..PPolyproline II helixtrans-86.5143.9175-51-178.1000109.4L331 R349 I468 T483 D484 E536 I537I328-L331 HydrophobicContact CG2-CD2 3.97Å; I328-L331 HydrophobicContact CG2-CG 4.33Å; I328-R349 HydrophobicContact CG2-CG 4.35Å; I328-I468 HydrophobicContact CD1-CD1 4.39Å; I328-T483 HydrophobicContact CG1-CG2 3.86Å; I328-D484 HydrophobicContact CG2-CB 4.2Å; I328-E536 HydrophobicContact CD1-CB 3.83Å; I328-E536 HydrophobicContact CD1-CG 3.98Å; I328-I537 HydrophobicContact CD1-CD1 4.35Å; I328-I537 HydrophobicContact CD1-CG1 4.03Å; I328-I537 HydrophobicContact CG2-CG1 4.46Å
329R97.1Very high95.9Very high8 Ų851 Ų513%0.0329%0.294CS..PPolyproline II helixtrans-62.6159.5171.3-67.7172.6-69.3180-5.8111.3L331 R349 N439 G440 D484 I485R329-L331 PolarHBondContact O-N 3.46Å; R329-R349 HydrophobicContact CB-CG 4Å; R329-N439 PolarHBondContact NH1-O 3.28Å; R329-G440 PolarHBondContact NH2-O 3.13Å; R329-D484 WeakPolarHBondContact CB-OD2 3.41Å; R329-D484 WeakPolarHBondContact CG-OD2 3.41Å; R329-D484 IonicContact CZ-OD1 3.68Å; R329-D484 IonicContact CZ-OD2 2.73Å; R329-D484 PolarHBondContact N-OD2 3.45Å; R329-D484 IonicContact NE-OD1 3.31Å; R329-D484 PolarHBondContact NE-OD1 3.27Å; R329-D484 IonicContact NE-OD2 3.43Å; R329-D484 PolarHBondContact NE-OD2 3.1Å; R329-D484 IonicContact NH2-OD1 2.78Å; R329-D484 PolarHBondContact NH2-OD1 2.97Å; R329-D484 IonicContact NH2-OD2 2.75Å; R329-I485 PolarHBondContact NH2-O 3Å
330P97.1Very high95.9Very high99 Ų9959.4 Ų59.464%0.64333%0.326SS*.PPolyproline II helixtrans-50131.9175.2-2835.6000112.2R349 G350P330-R349 CarbonylContact O-C 3.52Å; P330-R349 WeakPolarHBondContact O-CA 3.38Å; P330-G350 PolarHBondContact O-N 2.66Å
331L98.6Very high96Very high33 Ų3361 Ų6117%0.17334%0.336CS..EExtended strand (participates in β ladder)trans-101.9143.7-178.8-60.5178000110.1I328 R329 F347 T348 R349 I537 H540I328-L331 HydrophobicContact CG2-CD2 3.97Å; I328-L331 HydrophobicContact CG2-CG 4.33Å; R329-L331 PolarHBondContact O-N 3.46Å; L331-F347 HydrophobicContact CD2-CZ 3.92Å; L331-T348 WeakPolarHBondContact CA-O 3.29Å; L331-R349 HydrophobicContact CD2-CB 3.85Å; L331-R349 HydrophobicContact CD2-CG 3.64Å; L331-I537 HydrophobicContact CD1-CB 4.44Å; L331-I537 HydrophobicContact CD1-CG1 3.98Å; L331-I537 HydrophobicContact CD2-CG1 4.31Å; L331-H540 HydrophobicContact CB-CB 4.39Å; L331-H540 HydrophobicContact CD1-CB 3.76Å; L331-H540 PolarHBondContact O-NE2 2.87Å
332D98.6Very high96.3Very high82 Ų8261.8 Ų61.844%0.43934%0.339SS..EExtended strand (participates in β ladder)trans-147.1148.9168.3-167.726.3000110T348D332-T348 PolarHBondContact N-O 3.49Å; D332-T348 PolarHBondContact O-N 2.99Å
333S98.6Very high96.6Very high9 Ų959.1 Ų59.16%0.06331%0.312CS..EExtended strand (participates in β ladder)trans-149.2132-171.2-730000110.5L346 F347 H540 T544S333-L346 CarbonylContact C-O 3.56Å; S333-L346 WeakPolarHBondContact CA-O 3.11Å; S333-F347 WeakPolarHBondContact OG-CD2 3.42Å; S333-H540 PolarHBondContact OG-ND1 3.39Å; S333-T544 WeakPolarHBondContact CB-OG1 3.39Å; S333-T544 WeakPolarHBondContact O-CG2 3.37Å; S333-T544 PolarHBondContact O-OG1 3.24Å
334E98.5Very high96.8Very high89 Ų8958.6 Ų58.642%0.41631%0.309SS..EExtended strand (participates in β ladder)trans-133.2154172.4-60.4-176.6-126.300111G345 L346E334-G345 CarbonylContact O-C 3.46Å; E334-G345 WeakPolarHBondContact O-CA 3.44Å; E334-L346 HydrophobicContact CB-CB 4.16Å; E334-L346 PolarHBondContact N-O 3.48Å; E334-L346 PolarHBondContact O-N 2.94Å
335V98.4Very high97Very high34 Ų3452.1 Ų52.121%0.20628%0.281CS..EExtended strand (participates in β ladder)trans-130.7154.4174.4-69.50000111.1I337 S344 L452 D456 T544 I545V335-I337 VanDerWaalsContact C-N 3.28Å; V335-I337 PolarHBondContact O-N 3.21Å; V335-S344 WeakPolarHBondContact CA-O 3.49Å; V335-L452 HydrophobicContact CG1-CB 3.88Å; V335-L452 HydrophobicContact CG1-CD2 4.04Å; V335-L452 HydrophobicContact CG1-CG 4.46Å; V335-D456 HydrophobicContact CB-CB 3.97Å; V335-D456 HydrophobicContact CG1-CB 4.2Å; V335-T544 HydrophobicContact CG1-CG2 4.18Å; V335-T544 HydrophobicContact CG2-CG2 4.15Å; V335-I545 HydrophobicContact CG1-CB 4.47Å; V335-I545 HydrophobicContact CG1-CG2 3.94Å
336G96.5Very high97.2Very high36 Ų3651.5 Ų51.537%0.37128%0.277SS..  trans68.323.6174.600000114.7L338 S344 D456G336-L338 VanDerWaalsContact C-N 3.26Å; G336-L338 PolarHBondContact O-N 2.81Å; G336-S344 VanDerWaalsContact CA-OG 3.31Å; G336-S344 WeakPolarHBondContact CA-OG 3.23Å; G336-S344 PolarHBondContact N-O 3.32Å; G336-S344 PolarHBondContact N-OG 3.44Å; G336-D456 VanDerWaalsContact CA-OD2 3.28Å; G336-D456 WeakPolarHBondContact CA-OD2 3.5Å; G336-D456 PolarHBondContact N-OD2 2.92Å; G336-D456 VanDerWaalsContact N-OD2 3.12Å
337I96.6Very high97.3Very high75 Ų7547.1 Ų47.139%0.38525%0.253SS..  trans-67.3-25.9-179.9-165.8171.6000112.8V335 S344 L346 L355V335-I337 VanDerWaalsContact C-N 3.28Å; V335-I337 PolarHBondContact O-N 3.21Å; I337-S344 PolarHBondContact N-OG 3.26Å; I337-L346 HydrophobicContact CD1-CD2 4.21Å; I337-L355 HydrophobicContact CG2-CD1 3.7Å
338L97.4Very high97.4Very high58 Ų5843.8 Ų43.830%0.30424%0.239SC..SBendtrans-103.6117.1179.8-64.8-175.6000111G336 R340 T341 S344 L355 V357G336-L338 VanDerWaalsContact C-N 3.26Å; G336-L338 PolarHBondContact O-N 2.81Å; L338-R340 PolarHBondContact O-N 3.23Å; L338-T341 HydrophobicContact CB-CG2 4.06Å; L338-T341 WeakPolarHBondContact CB-OG1 3.48Å; L338-T341 HydrophobicContact CD1-CG2 3.92Å; L338-T341 PolarHBondContact O-OG1 2.82Å; L338-S344 PolarHBondContact N-OG 2.99Å; L338-L355 HydrophobicContact CD1-CD2 4.42Å; L338-V357 HydrophobicContact CD1-CB 4.37Å; L338-V357 HydrophobicContact CD1-CG1 3.98Å; L338-V357 HydrophobicContact CD1-CG2 3.48Å; L338-V357 VanDerWaalsContact CD1-CG2 3.48Å
339P91.8Very high97.4Very high108 Ų10843.1 Ų43.170%0.70124%0.236SC*.SBendtrans-73.7-22.4-166.926.5-35.7000115.2Y555P339-Y555 VanDerWaalsContact O-CE2 3.26Å; P339-Y555 WeakPolarHBondContact O-CE2 3.37Å
340R94.4Very high97.3Very high178 Ų17844 Ų4467%0.67225%0.246SC*.SBendtrans-108.3-16.7-174.3-68.1-168.373.3125.22.4114.5L338 Y555L338-R340 PolarHBondContact O-N 3.23Å; R340-Y555 HydrophobicContact CG-CE2 4.33Å
341T95.6Very high97.1Very high37 Ų3741 Ų4123%0.22722%0.224CC..SBendtrans-73.5163.1177.852.30000109.4L338 V357 S553L338-T341 HydrophobicContact CB-CG2 4.06Å; L338-T341 WeakPolarHBondContact CB-OG1 3.48Å; L338-T341 HydrophobicContact CD1-CG2 3.92Å; L338-T341 PolarHBondContact O-OG1 2.82Å; T341-V357 HydrophobicContact CG2-CG1 3.39Å; T341-S553 PolarHBondContact O-OG 3.24Å
342H97.2Very high97.1Very high27 Ų2739.4 Ų39.413%0.12522%0.216CC..SBendtrans-78.1-33-175.5-57.3158.4000111.6L358 L360 A457 S553 Y555 A556H342-L358 HydrophobicContact CB-CD2 4.24Å; H342-L358 PolarHBondContact N-O 3.09Å; H342-L360 HydrophobicContact CB-CG 4.22Å; H342-L360 PolarHBondContact CE1-O 2.67Å; H342-L360 PolarHBondContact ND1-N 2.75Å; H342-L360 PolarHBondContact ND1-O 2.72Å; H342-A457 WeakPolarHBondContact O-CA 3.44Å; H342-S553 WeakPolarHBondContact O-CB 3.41Å; H342-Y555 PolarHBondContact NE2-O 3.35Å; H342-Y555 VanDerWaalsContact NE2-O 3.17Å; H342-A556 HydrophobicContact CB-CB 4.26Å; H342-A556 PolarHBondContact CD2-N 2.91Å
343G97.9Very high97.1Very high1 Ų137.9 Ų37.91%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-154.9160.3163.500000111L358 D456G343-L358 PolarHBondContact N-O 2.93Å; G343-L358 PolarHBondContact O-N 3.15Å; G343-D456 WeakPolarHBondContact CA-OD2 3.15Å
344S98.5Very high97.1Very high0 Ų037.5 Ų37.50%020%0.203CC..EExtended strand (participates in β ladder)trans-147.6142.6176540000111V335 G336 I337 L338 S356 D456V335-S344 WeakPolarHBondContact CA-O 3.49Å; G336-S344 VanDerWaalsContact CA-OG 3.31Å; G336-S344 WeakPolarHBondContact CA-OG 3.23Å; G336-S344 PolarHBondContact N-O 3.32Å; G336-S344 PolarHBondContact N-OG 3.44Å; I337-S344 PolarHBondContact N-OG 3.26Å; L338-S344 PolarHBondContact N-OG 2.99Å; S344-S356 CarbonylContact C-O 3.51Å; S344-S356 VanDerWaalsContact CA-O 3.31Å; S344-S356 WeakPolarHBondContact CA-O 3.45Å; S344-D456 PolarHBondContact N-OD2 3.04Å
345G98.6Very high97.1Very high0 Ų034.5 Ų34.50%019%0.19CC..EExtended strand (participates in β ladder)trans-136.4121176.100000110E334 S356E334-G345 CarbonylContact O-C 3.46Å; E334-G345 WeakPolarHBondContact O-CA 3.44Å; G345-S356 PolarHBondContact N-O 3.46Å; G345-S356 PolarHBondContact O-N 3.34Å
346L98.8Very high97.1Very high13 Ų1332.9 Ų32.97%0.06818%0.18CC..EExtended strand (participates in β ladder)trans-99.5123.8170.2-174.968.7000107.4S333 E334 I337 Q353 L355 L436S333-L346 CarbonylContact C-O 3.56Å; S333-L346 WeakPolarHBondContact CA-O 3.11Å; E334-L346 HydrophobicContact CB-CB 4.16Å; E334-L346 PolarHBondContact N-O 3.48Å; E334-L346 PolarHBondContact O-N 2.94Å; I337-L346 HydrophobicContact CD1-CD2 4.21Å; L346-Q353 HydrophobicContact CD1-CG 3.65Å; L346-Q353 HydrophobicContact CG-CG 4.34Å; L346-L355 HydrophobicContact CB-CD1 4.41Å; L346-L355 HydrophobicContact CD1-CB 3.96Å; L346-L355 HydrophobicContact CD1-CD1 4.35Å; L346-L436 HydrophobicContact CD1-CD1 4.02Å
347F98.8Very high97.2Very high0 Ų032.4 Ų32.40%017%0.17CC..EExtended strand (participates in β ladder)trans-123.9128.4175.3-177.4-95000109.6L331 S333 R349 Q353 A354 A445 C448 L452 I537 M541L331-F347 HydrophobicContact CD2-CZ 3.92Å; S333-F347 WeakPolarHBondContact OG-CD2 3.42Å; F347-R349 HydrophobicContact CE1-CB 3.91Å; F347-R349 HydrophobicContact CZ-CB 4.43Å; F347-Q353 WeakPolarHBondContact O-CA 3.36Å; F347-A354 PolarHBondContact N-O 3.38Å; F347-A354 PolarHBondContact O-N 2.6Å; F347-A445 HydrophobicContact CD1-CB 3.8Å; F347-A445 HydrophobicContact CE1-CB 4.25Å; F347-C448 HydrophobicContact CB-CB 4.18Å; F347-C448 HydrophobicContact CD1-CB 3.7Å; F347-C448 HydrophobicContact CD2-CB 3.61Å; F347-C448 HydrophobicContact CE1-CB 3.89Å; F347-C448 HydrophobicContact CE2-CB 3.82Å; F347-C448 HydrophobicContact CG-CB 3.53Å; F347-C448 HydrophobicContact CZ-CB 3.95Å; F347-L452 HydrophobicContact CB-CD1 4.27Å; F347-L452 HydrophobicContact CD2-CD1 4.33Å; F347-I537 HydrophobicContact CE2-CG2 3.89Å; F347-I537 HydrophobicContact CZ-CG2 3.64Å; F347-M541 HydrophobicContact CD2-CG 4.15Å; F347-M541 HydrophobicContact CD2-SD 4.3Å; F347-M541 HydrophobicContact CE2-CG 3.96Å; F347-M541 HydrophobicContact CE2-SD 4.28Å
348T98.6Very high97.3Very high19 Ų1928.8 Ų28.812%0.11715%0.152CC..EExtended strand (participates in β ladder)trans-122.5135.2179-49.90000109.6L331 D332 G350 T352 Q353L331-T348 WeakPolarHBondContact CA-O 3.29Å; D332-T348 PolarHBondContact N-O 3.49Å; D332-T348 PolarHBondContact O-N 2.99Å; T348-G350 VanDerWaalsContact CG2-O 3.31Å; T348-G350 WeakPolarHBondContact CG2-O 3.43Å; T348-T352 CarbonylContact C-O 3.44Å; T348-T352 WeakPolarHBondContact CA-O 3.46Å; T348-Q353 HydrophobicContact CG2-CB 4.35Å; T348-Q353 PolarHBondContact OG1-NE2 2.74Å
349R97.3Very high97.3Very high0 Ų028.8 Ų28.80%015%0.154CC..EExtended strand (participates in β ladder)trans-138.398.9172.7179.6167.763.6-158.9-8.6109.2I328 R329 P330 L331 F347 Q351 T352 S441 G467 D484 I537I328-R349 HydrophobicContact CG2-CG 4.35Å; R329-R349 HydrophobicContact CB-CG 4Å; P330-R349 CarbonylContact O-C 3.52Å; P330-R349 WeakPolarHBondContact O-CA 3.38Å; L331-R349 HydrophobicContact CD2-CB 3.85Å; L331-R349 HydrophobicContact CD2-CG 3.64Å; F347-R349 HydrophobicContact CE1-CB 3.91Å; F347-R349 HydrophobicContact CZ-CB 4.43Å; R349-Q351 PolarHBondContact O-N 2.72Å; R349-T352 PolarHBondContact N-O 2.8Å; R349-T352 PolarHBondContact O-N 2.75Å; R349-S441 PolarHBondContact NH2-O 3.22Å; R349-S441 PolarHBondContact NH2-OG 3.15Å; R349-G467 PolarHBondContact NH1-O 2.67Å; R349-G467 VanDerWaalsContact NH1-O 3.13Å; R349-D484 VanDerWaalsContact CD-CG 3.41Å; R349-D484 VanDerWaalsContact CD-OD1 3.28Å; R349-D484 WeakPolarHBondContact CD-OD1 3.22Å; R349-D484 WeakPolarHBondContact CD-OD2 3.32Å; R349-D484 WeakPolarHBondContact CG-OD2 3.49Å; R349-D484 IonicContact CZ-OD1 3.38Å; R349-D484 IonicContact NE-OD1 3.4Å; R349-D484 PolarHBondContact NE-OD1 3.27Å; R349-D484 IonicContact NE-OD2 2.78Å; R349-D484 IonicContact NH2-OD1 3.36Å; R349-I537 VanDerWaalsContact NH1-CD1 3.31Å
350G94.8Very high97.6Very high25 Ų2523.9 Ų23.926%0.25812%0.122SC..SBendtrans51.8-130.4-166.100000111.1P330 T348 T352P330-G350 PolarHBondContact O-N 2.66Å; T348-G350 VanDerWaalsContact CG2-O 3.31Å; T348-G350 WeakPolarHBondContact CG2-O 3.43Å; G350-T352 PolarHBondContact O-N 3.36Å; G350-T352 VanDerWaalsContact O-N 3.12Å
351Q94.3Very high97.4Very high36 Ų3616 Ų1617%0.16810%0.097CC..SBendtrans-8333.7178.1-64.2-179.9-67.700113.4D263 R349 E437 S438 N439D263-Q351 PolarHBondContact OD2-NE2 2.84Å; R349-Q351 PolarHBondContact O-N 2.72Å; Q351-E437 WeakPolarHBondContact CA-OE1 3.2Å; Q351-E437 VanDerWaalsContact CB-OE1 3.27Å; Q351-E437 WeakPolarHBondContact CB-OE1 3.46Å; Q351-E437 WeakPolarHBondContact O-CG 3.31Å; Q351-S438 CarbonylContact O-C 3.51Å; Q351-S438 VanDerWaalsContact O-C 3.3Å; Q351-S438 PolarHBondContact O-N 2.81Å; Q351-N439 HydrophobicContact CB-CB 3.74Å; Q351-N439 WeakPolarHBondContact O-CB 3.45Å; Q351-N439 PolarHBondContact O-N 2.77Å; Q351-N439 PolarHBondContact OE1-ND2 2.76Å
352T97.6Very high97Very high0 Ų015.2 Ų15.20%09%0.094CC..  trans-130.5116.5174.3-66.50000108.4T348 R349 G350 E437 N439 G440 A445T348-T352 CarbonylContact C-O 3.44Å; T348-T352 WeakPolarHBondContact CA-O 3.46Å; R349-T352 PolarHBondContact N-O 2.8Å; R349-T352 PolarHBondContact O-N 2.75Å; G350-T352 PolarHBondContact O-N 3.36Å; G350-T352 VanDerWaalsContact O-N 3.12Å; T352-E437 CarbonylContact C-O 3.57Å; T352-E437 WeakPolarHBondContact CA-O 3.47Å; T352-N439 PolarHBondContact OG1-N 2.85Å; T352-G440 WeakPolarHBondContact CG2-O 3.46Å; T352-G440 PolarHBondContact OG1-O 2.83Å; T352-A445 HydrophobicContact CG2-CB 3.82Å
353Q98.4Very high96.5Very high50 Ų5014.8 Ų14.823%0.2349%0.092CC..EExtended strand (participates in β ladder)trans-130.8130.6-176.6-174.9173.984.400110.8L346 F347 T348 L436 E437L346-Q353 HydrophobicContact CD1-CG 3.65Å; L346-Q353 HydrophobicContact CG-CG 4.34Å; F347-Q353 WeakPolarHBondContact O-CA 3.36Å; T348-Q353 HydrophobicContact CG2-CB 4.35Å; T348-Q353 PolarHBondContact OG1-NE2 2.74Å; Q353-L436 HydrophobicContact CB-CB 4.3Å; Q353-L436 HydrophobicContact CG-CB 4.21Å; Q353-L436 HydrophobicContact CG-CD1 4.36Å; Q353-L436 PolarHBondContact O-N 3.06Å; Q353-E437 HydrophobicContact CB-CB 4.08Å; Q353-E437 PolarHBondContact N-O 2.96Å; Q353-E437 PolarHBondContact O-N 3.03Å
354A98.7Very high95.9Very high1 Ų116.9 Ų16.91%0.00811%0.113CC..EExtended strand (participates in β ladder)trans-127.8127.5176.700000110.4F347 A445F347-A354 PolarHBondContact N-O 3.38Å; F347-A354 PolarHBondContact O-N 2.6Å; A354-A445 HydrophobicContact CB-CB 4.05Å
355L98.8Very high95.5Very high27 Ų2720.4 Ų20.414%0.14113%0.132CC..EExtended strand (participates in β ladder)trans-101.5110.1170.1174.661.4000108.9I337 L338 L346 V357 S433 E434 L436I337-L355 HydrophobicContact CG2-CD1 3.7Å; L338-L355 HydrophobicContact CD1-CD2 4.42Å; L346-L355 HydrophobicContact CB-CD1 4.41Å; L346-L355 HydrophobicContact CD1-CB 3.96Å; L346-L355 HydrophobicContact CD1-CD1 4.35Å; L355-V357 HydrophobicContact CG-CG2 4.12Å; L355-S433 WeakPolarHBondContact O-CA 3.42Å; L355-E434 PolarHBondContact N-O 3Å; L355-E434 PolarHBondContact O-N 3.22Å; L355-L436 HydrophobicContact CB-CD1 3.88Å; L355-L436 HydrophobicContact CB-CG 4.21Å
356S98.8Very high95.2Very high0 Ų024.3 Ų24.30%015%0.148CC..EExtended strand (participates in β ladder)trans-98.8127.9176.2-57.80000110.3S344 G345 V432 S433 S446 G449 S450S344-S356 CarbonylContact C-O 3.51Å; S344-S356 VanDerWaalsContact CA-O 3.31Å; S344-S356 WeakPolarHBondContact CA-O 3.45Å; G345-S356 PolarHBondContact N-O 3.46Å; G345-S356 PolarHBondContact O-N 3.34Å; S356-V432 CarbonylContact C-O 3.52Å; S356-V432 WeakPolarHBondContact CA-O 3.29Å; S356-S433 PolarHBondContact OG-OG 2.79Å; S356-S446 PolarHBondContact OG-O 3.31Å; S356-G449 WeakPolarHBondContact CB-O 3.48Å; S356-G449 VanDerWaalsContact OG-C 3.25Å; S356-S450 PolarHBondContact OG-N 2.96Å; S356-S450 VanDerWaalsContact OG-N 3.12Å; S356-S450 PolarHBondContact OG-OG 2.92Å
357V98.8Very high94.9Very high25 Ų2527 Ų2715%0.15216%0.16CC..EExtended strand (participates in β ladder)trans-118.1120.8-176.1-174.80000109.4L338 T341 L355 I431 V432L338-V357 HydrophobicContact CD1-CB 4.37Å; L338-V357 HydrophobicContact CD1-CG1 3.98Å; L338-V357 HydrophobicContact CD1-CG2 3.48Å; L338-V357 VanDerWaalsContact CD1-CG2 3.48Å; T341-V357 HydrophobicContact CG2-CG1 3.39Å; L355-V357 HydrophobicContact CG-CG2 4.12Å; V357-I431 WeakPolarHBondContact O-CA 3.31Å; V357-V432 PolarHBondContact N-O 3.21Å; V357-V432 PolarHBondContact O-N 3.49Å
358L98.6Very high94.4Very high0 Ų031.4 Ų31.40%018%0.183CC..EExtended strand (participates in β ladder)trans-98.1134.6-179.6-169.6153000111.5H342 G343 L360 I429 R430 I431 A453 L454 A457 V459H342-L358 HydrophobicContact CB-CD2 4.24Å; H342-L358 PolarHBondContact N-O 3.09Å; G343-L358 PolarHBondContact N-O 2.93Å; G343-L358 PolarHBondContact O-N 3.15Å; L358-L360 HydrophobicContact CD2-CD2 3.61Å; L358-L360 HydrophobicContact CD2-CG 3.67Å; L358-I429 HydrophobicContact CD1-CG2 3.95Å; L358-I429 HydrophobicContact CD2-CG2 4.5Å; L358-I429 HydrophobicContact CG-CG2 4.18Å; L358-R430 WeakPolarHBondContact CA-O 3.38Å; L358-I431 HydrophobicContact CB-CG1 4.28Å; L358-I431 HydrophobicContact CD1-CD1 4.08Å; L358-I431 HydrophobicContact CD1-CG1 4Å; L358-I431 HydrophobicContact CG-CG1 4.03Å; L358-A453 HydrophobicContact CB-CB 4.12Å; L358-L454 HydrophobicContact CD1-CB 4.4Å; L358-L454 HydrophobicContact CD1-CD2 3.58Å; L358-L454 HydrophobicContact CD1-CG 3.92Å; L358-A457 HydrophobicContact CB-CB 4.47Å; L358-A457 HydrophobicContact CD1-CB 3.97Å; L358-A457 HydrophobicContact CD2-CB 3.67Å; L358-A457 HydrophobicContact CG-CB 4.25Å; L358-V459 HydrophobicContact CD1-CG2 4.07Å
359T97.8Very high93.9Very high58 Ų5833.1 Ų33.136%0.35619%0.191SC..EExtended strand (participates in β ladder)trans-126.9116.9170.7-52.60000110.3R430T359-R430 PolarHBondContact N-O 2.81Å; T359-R430 PolarHBondContact O-N 2.86Å
360L96.2Very high93.1Very high4 Ų435.8 Ų35.82%0.02121%0.205CC..EExtended strand (participates in β ladder)trans-78.3130.4164.5-56.6177.4000112.1H342 L358 F425 Y427 T428 I429 V459 L552 A556H342-L360 HydrophobicContact CB-CG 4.22Å; H342-L360 PolarHBondContact CE1-O 2.67Å; H342-L360 PolarHBondContact ND1-N 2.75Å; H342-L360 PolarHBondContact ND1-O 2.72Å; L358-L360 HydrophobicContact CD2-CD2 3.61Å; L358-L360 HydrophobicContact CD2-CG 3.67Å; L360-F425 HydrophobicContact CD1-CE1 4.46Å; L360-F425 HydrophobicContact CD1-CZ 3.92Å; L360-F425 HydrophobicContact CD2-CE1 3.65Å; L360-F425 HydrophobicContact CD2-CZ 3.93Å; L360-Y427 HydrophobicContact CB-CD1 3.97Å; L360-Y427 HydrophobicContact CB-CG 4.39Å; L360-Y427 HydrophobicContact CD2-CG 4.36Å; L360-T428 CarbonylContact C-O 3.35Å; L360-T428 WeakPolarHBondContact CA-O 3.46Å; L360-I429 HydrophobicContact CD2-CG1 3.87Å; L360-V459 HydrophobicContact CD2-CG2 4.22Å; L360-L552 HydrophobicContact CD1-CD1 4.28Å; L360-L552 HydrophobicContact CD1-CD2 4.01Å; L360-A556 HydrophobicContact CD1-CB 4.1Å
361G92.1Very high92.7Very high14 Ų1435.2 Ų35.214%0.14420%0.199CC..EExtended strand (participates in β ladder)trans-124.1175.6172.900000111.9Y427 T428G361-Y427 WeakPolarHBondContact O-CD1 3.09Å; G361-T428 PolarHBondContact N-O 3.33Å; G361-T428 PolarHBondContact O-N 3.06Å
362A86.8Confident92.3Very high20 Ų2034.4 Ų34.417%0.16520%0.196CC..  trans-69.9163.517400000111.3G364 D365 T428 K590A362-G364 PolarHBondContact O-N 2.84Å; A362-D365 PolarHBondContact N-OD2 3.24Å; A362-D365 VanDerWaalsContact O-CB 3.31Å; A362-D365 WeakPolarHBondContact O-CB 3.33Å; A362-D365 PolarHBondContact O-N 3.44Å; A362-T428 WeakPolarHBondContact O-CB 3.17Å; A362-T428 PolarHBondContact O-OG1 2.84Å; A362-K590 HydrophobicContact CB-CB 4.37Å; A362-K590 HydrophobicContact CB-CD 3.44Å; A362-K590 VanDerWaalsContact CB-CD 3.44Å
363L85.6Confident91.4Very high18 Ų1836 Ų369%0.09421%0.212CC..G310 helixtrans-56.9-49.8-179.4-70.4175.1000112.1D365 Y366 T422 P426 T428 F600L363-D365 PolarHBondContact O-N 2.92Å; L363-Y366 WeakPolarHBondContact O-CD1 3.16Å; L363-Y366 PolarHBondContact O-N 3.48Å; L363-T422 HydrophobicContact CD1-CG2 3.87Å; L363-T422 HydrophobicContact CD2-CG2 3.74Å; L363-T422 HydrophobicContact CG-CG2 4.49Å; L363-P426 HydrophobicContact CD1-CB 4.07Å; L363-P426 VanDerWaalsContact CD2-C 3.47Å; L363-P426 HydrophobicContact CD2-CB 4.43Å; L363-P426 HydrophobicContact CG-CB 4.42Å; L363-T428 PolarHBondContact O-OG1 2.89Å; L363-F600 HydrophobicContact CD1-CB 4.36Å; L363-F600 HydrophobicContact CD1-CD1 4.1Å; L363-F600 HydrophobicContact CD1-CD2 3.44Å; L363-F600 VanDerWaalsContact CD1-CD2 3.44Å; L363-F600 HydrophobicContact CD1-CE1 4.22Å; L363-F600 HydrophobicContact CD1-CE2 3.58Å; L363-F600 HydrophobicContact CD1-CG 3.7Å; L363-F600 HydrophobicContact CD1-CZ 3.97Å
364G85.3Confident90.4Very high44 Ų4437.1 Ų37.145%0.45422%0.224SC..G310 helixtrans-63.6-0.617400000117A362 Y366A362-G364 PolarHBondContact O-N 2.84Å; G364-Y366 PolarHBondContact O-N 3.31Å
365D90.3Very high89.6Confident75 Ų7543.1 Ų43.140%0.40125%0.252SS..G310 helixtrans-82.87.8170.9-60.8-34.4000112.2A362 L363 T428 K590A362-D365 PolarHBondContact N-OD2 3.24Å; A362-D365 VanDerWaalsContact O-CB 3.31Å; A362-D365 WeakPolarHBondContact O-CB 3.33Å; A362-D365 PolarHBondContact O-N 3.44Å; L363-D365 PolarHBondContact O-N 2.92Å; D365-T428 HydrophobicContact CB-CG2 4.39Å; D365-K590 IonicContact OD1-NZ 3.77Å; D365-K590 PolarHBondContact OD1-NZ 3.1Å; D365-K590 IonicContact OD2-NZ 2.71Å; D365-K590 PolarHBondContact OD2-NZ 3.32Å
366Y92.1Very high88.9Confident81 Ų8147.7 Ų47.732%0.31827%0.272SS..PPolyproline II helixtrans-57.5155.2174.762.7-113.1000112.1L363 G364 L368 E377 T428L363-Y366 WeakPolarHBondContact O-CD1 3.16Å; L363-Y366 PolarHBondContact O-N 3.48Å; G364-Y366 PolarHBondContact O-N 3.31Å; Y366-L368 HydrophobicContact CE2-CB 4.36Å; Y366-L368 HydrophobicContact CE2-CD1 4.46Å; Y366-E377 HydrophobicContact CD1-CB 4.39Å; Y366-E377 HydrophobicContact CD1-CG 4.48Å; Y366-E377 HydrophobicContact CD2-CB 3.98Å; Y366-E377 HydrophobicContact CD2-CG 3.96Å; Y366-E377 HydrophobicContact CE1-CG 4.23Å; Y366-E377 WeakPolarHBondContact CE1-OE1 3.37Å; Y366-E377 HydrophobicContact CE2-CB 4.25Å; Y366-E377 HydrophobicContact CE2-CG 3.69Å; Y366-E377 HydrophobicContact CG-CB 4.1Å; Y366-E377 HydrophobicContact CG-CG 4.38Å; Y366-E377 PolarHBondContact OH-OE1 3.41Å; Y366-T428 PolarHBondContact N-OG1 2.99Å
367Q93Very high88.5Confident71 Ų7153.5 Ų53.533%0.33230%0.299SS..EExtended strand (participates in β ladder)trans-88.5121.5170.2176.3-175.511.200109.7I369 K378 M381Q367-I369 HydrophobicContact CG-CD1 3.79Å; Q367-K378 HydrophobicContact CB-CB 4.16Å; Q367-K378 PolarHBondContact N-O 3.38Å; Q367-K378 VanDerWaalsContact O-CB 3.29Å; Q367-K378 WeakPolarHBondContact O-CB 3.49Å; Q367-K378 PolarHBondContact O-N 3.22Å; Q367-M381 HydrophobicContact CB-SD 3.78Å
368L89Confident88.2Confident92 Ų9254.5 Ų54.548%0.48230%0.302SS..EExtended strand (participates in β ladder)trans-78.4123.4171.4-172.569.1000109.9Y366 E375 E377Y366-L368 HydrophobicContact CE2-CB 4.36Å; Y366-L368 HydrophobicContact CE2-CD1 4.46Å; L368-E375 HydrophobicContact CD1-CB 4.47Å; L368-E377 HydrophobicContact CD1-CG 4.39Å
369I86.9Confident88Confident55 Ų5556.3 Ų56.328%0.28231%0.309SS..EExtended strand (participates in β ladder)trans-100.3110.7175.6-53.4-61.8000108.8Q367 E376 K378Q367-I369 HydrophobicContact CG-CD1 3.79Å; I369-E376 HydrophobicContact CB-CB 4.31Å; I369-E376 PolarHBondContact N-O 3.48Å; I369-E376 PolarHBondContact O-N 2.75Å; I369-K378 HydrophobicContact CD1-CD 4.24Å; I369-K378 HydrophobicContact CG1-CB 4.15Å; I369-K378 HydrophobicContact CG1-CD 4.39Å
370D82.1Confident88Confident56 Ų5654.5 Ų54.530%0.29930%0.296SS..  trans-106.790.5175.3-179.623.4000109M67 K72M67-D370 WeakPolarHBondContact CE-O 3.47Å; K72-D370 IonicContact NZ-OD1 3.52Å
371G84.9Confident88Confident13 Ų1355 Ų5513%0.13430%0.299CS..SBendtrans-115.9-160.9178.900000113.1K72 G373K72-G371 PolarHBondContact NZ-O 3.49Å; G371-G373 VanDerWaalsContact C-N 3.31Å
372L85.7Confident88.3Confident18 Ų1854.7 Ų54.79%0.09429%0.293CS..SBendtrans-71.9-25.2174.7-62.9-177.4000113.4E65 K66 A69 A70 V117 A120E65-L372 HydrophobicContact CB-CD1 4.02Å; E65-L372 HydrophobicContact CB-CD2 4.39Å; E65-L372 HydrophobicContact CB-CG 4.03Å; E65-L372 HydrophobicContact CG-CD1 3.88Å; E65-L372 HydrophobicContact CG-CG 4.13Å; K66-L372 VanDerWaalsContact O-CD2 3.24Å; K66-L372 WeakPolarHBondContact O-CD2 3.3Å; A69-L372 HydrophobicContact CB-CD2 4.16Å; A70-L372 HydrophobicContact CB-CD2 4.34Å; V117-L372 HydrophobicContact CB-CD1 3.92Å; V117-L372 HydrophobicContact CG1-CD1 3.7Å; V117-L372 HydrophobicContact CG2-CD1 4.08Å; A120-L372 HydrophobicContact CB-CB 4.26Å; A120-L372 HydrophobicContact CB-CD1 4.4Å
373G79.6Confident88.9Confident33 Ų3357 Ų5734%0.3430%0.3SS..SBendtrans-80.7-167.8177.400000114.3K72 G371K72-G373 PolarHBondContact NZ-O 3.21Å; G371-G373 VanDerWaalsContact C-N 3.31Å
374P77.4Confident89.5Confident75 Ų7556.4 Ų56.449%0.48730%0.297SS..SBendtrans-52.4152.4164.8-22.434.3000111.4E376P374-E376 PolarHBondContact O-N 3.4Å
375E80.9Confident90.1Very high127 Ų12756.5 Ų56.559%0.59329%0.287SS*.  trans-68.4128.2169.9-72.4-178.3-174.900108.7L368L368-E375 HydrophobicContact CD1-CB 4.47Å
376E84.6Confident90.3Very high122 Ų12254.9 Ų54.957%0.5728%0.276SS*.EExtended strand (participates in β ladder)trans-116.8135.4-178-69.2-179-173.200111I369 P374I369-E376 HydrophobicContact CB-CB 4.31Å; I369-E376 PolarHBondContact N-O 3.48Å; I369-E376 PolarHBondContact O-N 2.75Å; P374-E376 PolarHBondContact O-N 3.4Å
377E90.3Very high90.5Very high122 Ų12252.5 Ų52.557%0.5727%0.271SS*.EExtended strand (participates in β ladder)trans-95.3110174-64.7-174.2164.600110.1Y366 L368 R379Y366-E377 HydrophobicContact CD1-CB 4.39Å; Y366-E377 HydrophobicContact CD1-CG 4.48Å; Y366-E377 HydrophobicContact CD2-CB 3.98Å; Y366-E377 HydrophobicContact CD2-CG 3.96Å; Y366-E377 HydrophobicContact CE1-CG 4.23Å; Y366-E377 WeakPolarHBondContact CE1-OE1 3.37Å; Y366-E377 HydrophobicContact CE2-CB 4.25Å; Y366-E377 HydrophobicContact CE2-CG 3.69Å; Y366-E377 HydrophobicContact CG-CB 4.1Å; Y366-E377 HydrophobicContact CG-CG 4.38Å; Y366-E377 PolarHBondContact OH-OE1 3.41Å; L368-E377 HydrophobicContact CD1-CG 4.39Å; E377-R379 PolarHBondContact O-N 3.47Å
378K92.5Very high90.5Very high47 Ų4751.8 Ų51.820%0.20427%0.27CS..EExtended strand (participates in β ladder)trans-92.892.6-176.9-172173.7179163.70110.8Q367 I369 F380 M381 E412Q367-K378 HydrophobicContact CB-CB 4.16Å; Q367-K378 PolarHBondContact N-O 3.38Å; Q367-K378 VanDerWaalsContact O-CB 3.29Å; Q367-K378 WeakPolarHBondContact O-CB 3.49Å; Q367-K378 PolarHBondContact O-N 3.22Å; I369-K378 HydrophobicContact CD1-CD 4.24Å; I369-K378 HydrophobicContact CG1-CB 4.15Å; I369-K378 HydrophobicContact CG1-CD 4.39Å; K378-F380 WeakPolarHBondContact CE-O 3.21Å; K378-F380 WeakPolarHBondContact CG-O 3.48Å; K378-M381 HydrophobicContact CD-CG 4.17Å; K378-M381 HydrophobicContact CG-CG 3.99Å; K378-E412 WeakPolarHBondContact CE-OE1 3.32Å; K378-E412 WeakPolarHBondContact CE-OE2 3.38Å; K378-E412 IonicContact NZ-OE1 3.65Å; K378-E412 PolarHBondContact NZ-OE1 3.42Å; K378-E412 IonicContact NZ-OE2 3.64Å; K378-E412 PolarHBondContact NZ-OE2 2.93Å
379R94.3Very high90.8Very high38 Ų3853.6 Ų53.614%0.14327%0.274CS..  trans-78.4-29.7179.6-168.6-179.9105.21311.7113.9E377 P420 T422 F425 Y427 T428 I429E377-R379 PolarHBondContact O-N 3.47Å; R379-P420 PolarHBondContact NH2-O 3.27Å; R379-P420 VanDerWaalsContact NH2-O 3.17Å; R379-T422 VanDerWaalsContact NH1-CA 3.33Å; R379-T422 PolarHBondContact NH1-OG1 2.82Å; R379-T422 VanDerWaalsContact NH1-OG1 3.15Å; R379-F425 PolarHBondContact NH1-O 3.19Å; R379-F425 PolarHBondContact NH2-O 2.62Å; R379-Y427 WeakPolarHBondContact CG-O 3.4Å; R379-Y427 PolarHBondContact NE-O 3.11Å; R379-Y427 VanDerWaalsContact NE-O 3.16Å; R379-Y427 VanDerWaalsContact NH1-N 3.17Å; R379-Y427 PolarHBondContact NH1-O 3.05Å; R379-T428 CarbonylContact O-C 3.58Å; R379-T428 WeakPolarHBondContact O-CA 3.28Å; R379-T428 WeakPolarHBondContact O-CG2 3.42Å; R379-I429 PolarHBondContact O-N 2.99Å
380F97.6Very high91.2Very high19 Ų1951.1 Ų51.18%0.08326%0.261CS..EExtended strand (participates in β ladder)trans-110.2126.2174.6174.7-120.8000109.8K378 E412 L415 K416 I419 I429 I431K378-F380 WeakPolarHBondContact CE-O 3.21Å; K378-F380 WeakPolarHBondContact CG-O 3.48Å; F380-E412 HydrophobicContact CD1-CG 3.76Å; F380-E412 HydrophobicContact CE1-CB 4.43Å; F380-E412 HydrophobicContact CE1-CG 3.79Å; F380-L415 HydrophobicContact CE1-CB 3.71Å; F380-L415 HydrophobicContact CZ-CB 3.69Å; F380-L415 HydrophobicContact CZ-CD1 4.08Å; F380-K416 HydrophobicContact CD1-CB 4.2Å; F380-I419 HydrophobicContact CB-CG1 4.45Å; F380-I419 HydrophobicContact CD1-CG1 3.94Å; F380-I419 HydrophobicContact CD2-CD1 4.03Å; F380-I419 HydrophobicContact CD2-CG1 4.13Å; F380-I419 HydrophobicContact CE1-CD1 4.45Å; F380-I419 HydrophobicContact CE1-CG1 4.17Å; F380-I419 HydrophobicContact CE2-CD1 3.94Å; F380-I419 HydrophobicContact CE2-CG1 4.36Å; F380-I419 HydrophobicContact CG-CD1 4.34Å; F380-I419 HydrophobicContact CG-CG1 3.91Å; F380-I419 HydrophobicContact CZ-CD1 4.16Å; F380-I419 HydrophobicContact CZ-CG1 4.37Å; F380-I429 WeakPolarHBondContact CA-O 3.23Å; F380-I429 HydrophobicContact CD2-CB 3.9Å; F380-I429 HydrophobicContact CD2-CG2 3.78Å; F380-I429 HydrophobicContact CE2-CG2 4.02Å; F380-I431 HydrophobicContact CE2-CD1 3.84Å; F380-I431 HydrophobicContact CE2-CG1 4.18Å; F380-I431 HydrophobicContact CZ-CD1 4.28Å
381M97.8Very high91.7Very high16 Ų1650.4 Ų50.48%0.07926%0.259CS..EExtended strand (participates in β ladder)trans-130.6127.7-177.8-66.6163.2-87.400110Q367 K378 T428 I429 R430 I431Q367-M381 HydrophobicContact CB-SD 3.78Å; K378-M381 HydrophobicContact CD-CG 4.17Å; K378-M381 HydrophobicContact CG-CG 3.99Å; M381-T428 HydrophobicContact CE-CG2 3.33Å; M381-I429 PolarHBondContact N-O 2.84Å; M381-R430 WeakPolarHBondContact O-CA 3.5Å; M381-I431 PolarHBondContact O-N 2.95Å
382H98.3Very high92Very high7 Ų752.7 Ų52.73%0.03228%0.282CS..EExtended strand (participates in β ladder)trans-114.6123.9170.2-171.9-71.4000110.1E412 I431 S433 S450H382-E412 HydrophobicContact CB-CB 3.79Å; H382-E412 HydrophobicContact CB-CG 4.37Å; H382-E412 PolarHBondContact N-OE2 3.33Å; H382-I431 WeakPolarHBondContact CA-O 3.48Å; H382-S433 PolarHBondContact CE1-OG 3.38Å; H382-S433 VanDerWaalsContact CE1-OG 3.3Å; H382-S433 PolarHBondContact NE2-OG 3.36Å; H382-S433 VanDerWaalsContact NE2-OG 3.14Å; H382-S450 PolarHBondContact CD2-OG 3.32Å; H382-S450 PolarHBondContact NE2-OG 3.48Å
383H98.2Very high92.3Very high67 Ų6758.1 Ų58.131%0.3131%0.307SS..EExtended strand (participates in β ladder)trans-111.4143.3173.6-59.194.9000109.6R430 I431 V432 S433H383-R430 PolarHBondContact ND1-NE 2.84Å; H383-I431 PolarHBondContact N-O 2.71Å; H383-V432 HydrophobicContact CB-CG1 4.41Å; H383-V432 HydrophobicContact CB-CG2 4.32Å; H383-V432 CarbonylContact O-C 3.38Å; H383-V432 WeakPolarHBondContact O-CA 3.39Å; H383-S433 PolarHBondContact O-N 2.96Å
384Y98.2Very high92.9Very high6 Ų663.4 Ų63.42%0.02433%0.333CS..EExtended strand (participates in β ladder)trans-125.1128.9178.6172.3-82.5000108.9F386 E404 H407 V435 S442 S446Y384-F386 HydrophobicContact CE1-CB 3.83Å; Y384-F386 HydrophobicContact CE1-CD2 4.15Å; Y384-F386 HydrophobicContact CE1-CG 4.42Å; Y384-F386 AromaticContact CZ-CD2 3.93Å; Y384-F386 WeakPolarHBondContact OH-CD2 3.24Å; Y384-E404 HydrophobicContact CD1-CB 4.25Å; Y384-E404 HydrophobicContact CD1-CG 4.41Å; Y384-H407 HydrophobicContact CD1-CB 3.58Å; Y384-H407 HydrophobicContact CD2-CB 3.95Å; Y384-H407 HydrophobicContact CE1-CB 3.82Å; Y384-H407 AromaticContact CE1-ND1 3.43Å; Y384-H407 WeakPolarHBondContact CE1-ND1 3.41Å; Y384-H407 HydrophobicContact CE2-CB 4.18Å; Y384-H407 HydrophobicContact CG-CB 3.63Å; Y384-H407 AromaticContact CZ-ND1 3.39Å; Y384-H407 PolarHBondContact OH-ND1 3.36Å; Y384-V435 HydrophobicContact CD2-CG2 4.23Å; Y384-V435 HydrophobicContact CE1-CG2 4.45Å; Y384-V435 HydrophobicContact CE2-CG2 3.4Å; Y384-V435 VanDerWaalsContact CE2-CG2 3.4Å; Y384-S442 WeakPolarHBondContact OH-CB 3.43Å; Y384-S442 PolarHBondContact OH-OG 3.41Å; Y384-S446 WeakPolarHBondContact CD2-OG 3.41Å; Y384-S446 WeakPolarHBondContact CE2-OG 3.43Å
385N97.6Very high93.5Very high47 Ų4761.5 Ų61.525%0.25133%0.327SS..EExtended strand (participates in β ladder)trans-119.6135.7178.6-72.6-27.1000110P387 S433 E434 V435N385-P387 WeakPolarHBondContact O-CD 3.23Å; N385-S433 PolarHBondContact N-O 2.85Å; N385-E434 WeakPolarHBondContact CB-OE2 3.29Å; N385-E434 PolarHBondContact ND2-OE1 2.91Å; N385-V435 WeakPolarHBondContact O-CG2 3.29Å; N385-V435 PolarHBondContact O-N 2.92Å; N385-V435 VanDerWaalsContact O-N 3.09Å
386F96.2Very high93.9Very high40 Ų4059.7 Ų59.718%0.17533%0.326CS..  trans-124.880.4179.6-161.5-97.2000109.9Y384 V391 E404 V435 S438Y384-F386 HydrophobicContact CE1-CB 3.83Å; Y384-F386 HydrophobicContact CE1-CD2 4.15Å; Y384-F386 HydrophobicContact CE1-CG 4.42Å; Y384-F386 AromaticContact CZ-CD2 3.93Å; Y384-F386 WeakPolarHBondContact OH-CD2 3.24Å; F386-V391 HydrophobicContact CE1-CG1 3.66Å; F386-V391 HydrophobicContact CE1-CG2 4.43Å; F386-V391 HydrophobicContact CZ-CG1 3.5Å; F386-E404 HydrophobicContact CB-CG 4.14Å; F386-V435 HydrophobicContact CD2-CB 3.93Å; F386-V435 HydrophobicContact CD2-CG1 3.97Å; F386-V435 HydrophobicContact CD2-CG2 4.04Å; F386-V435 HydrophobicContact CE2-CB 4.41Å; F386-V435 HydrophobicContact CE2-CG1 3.93Å; F386-S438 WeakPolarHBondContact CE2-OG 3.44Å
387P95.1Very high94Very high31 Ų3160.6 Ų60.620%0.20134%0.34CS..  trans-69.6149.2-178.629.5-34.5000111.2N385 F389 S390 V435N385-P387 WeakPolarHBondContact O-CD 3.23Å; P387-F389 HydrophobicContact CB-CD1 3.66Å; P387-F389 HydrophobicContact CB-CE1 3.39Å; P387-F389 HydrophobicContact CB-CG 4.42Å; P387-F389 HydrophobicContact CB-CZ 3.97Å; P387-F389 HydrophobicContact CG-CD1 3.93Å; P387-F389 HydrophobicContact CG-CD2 4.45Å; P387-F389 HydrophobicContact CG-CE1 3.35Å; P387-F389 HydrophobicContact CG-CE2 3.94Å; P387-F389 HydrophobicContact CG-CG 4.44Å; P387-F389 HydrophobicContact CG-CZ 3.35Å; P387-F389 PolarHBondContact O-N 3.07Å; P387-F389 VanDerWaalsContact O-N 3.12Å; P387-S390 VanDerWaalsContact O-CB 3.23Å; P387-S390 WeakPolarHBondContact O-CB 3.22Å; P387-S390 PolarHBondContact O-N 3.38Å; P387-S390 PolarHBondContact O-OG 3.47Å; P387-V435 VanDerWaalsContact CD-O 3.31Å; P387-V435 WeakPolarHBondContact CD-O 3.31Å; P387-V435 VanDerWaalsContact CG-O 3.31Å; P387-V435 WeakPolarHBondContact CG-O 3.34Å
388N94.3Very high93.9Very high57 Ų5764.6 Ų64.631%0.30535%0.35SS..G310 helixtrans-57.6-32.8-175.7-57.3-40.8000113.3S390 V391 G392 E393 G395N388-S390 PolarHBondContact O-N 2.87Å; N388-V391 VanDerWaalsContact O-CG2 3.27Å; N388-V391 WeakPolarHBondContact O-CG2 3.37Å; N388-V391 PolarHBondContact O-N 3.43Å; N388-G392 PolarHBondContact O-N 3.24Å; N388-E393 CarbonylContact C-O 3.6Å; N388-E393 WeakPolarHBondContact CB-O 3.39Å; N388-E393 PolarHBondContact O-N 3.18Å; N388-E393 VanDerWaalsContact O-N 3.07Å; N388-G395 VanDerWaalsContact ND2-C 3.32Å; N388-G395 WeakPolarHBondContact ND2-CA 3.27Å; N388-G395 PolarHBondContact ND2-N 3.5Å; N388-G395 PolarHBondContact ND2-O 2.96Å
389F95.1Very high93.7Very high129 Ų12965.7 Ų65.757%0.56637%0.368SS*.G310 helixtrans-63-23.2177.571.9-107.7000112.9P387 V391 G392 L436P387-F389 HydrophobicContact CB-CD1 3.66Å; P387-F389 HydrophobicContact CB-CE1 3.39Å; P387-F389 HydrophobicContact CB-CG 4.42Å; P387-F389 HydrophobicContact CB-CZ 3.97Å; P387-F389 HydrophobicContact CG-CD1 3.93Å; P387-F389 HydrophobicContact CG-CD2 4.45Å; P387-F389 HydrophobicContact CG-CE1 3.35Å; P387-F389 HydrophobicContact CG-CE2 3.94Å; P387-F389 HydrophobicContact CG-CG 4.44Å; P387-F389 HydrophobicContact CG-CZ 3.35Å; P387-F389 PolarHBondContact O-N 3.07Å; P387-F389 VanDerWaalsContact O-N 3.12Å; F389-V391 PolarHBondContact O-N 2.98Å; F389-V391 VanDerWaalsContact O-N 3.15Å; F389-G392 PolarHBondContact O-N 3.39Å; F389-L436 HydrophobicContact CE2-CD2 4.41Å; F389-L436 HydrophobicContact CZ-CD2 4.35Å
390S95Very high93.4Very high4 Ų467.4 Ų67.43%0.02838%0.384CS..G310 helixtrans-63.5-20.1179.4690000113.1P387 N388 V435 E437 S438P387-S390 VanDerWaalsContact O-CB 3.23Å; P387-S390 WeakPolarHBondContact O-CB 3.22Å; P387-S390 PolarHBondContact O-N 3.38Å; P387-S390 PolarHBondContact O-OG 3.47Å; N388-S390 PolarHBondContact O-N 2.87Å; S390-V435 WeakPolarHBondContact CB-O 3.4Å; S390-E437 CarbonylContact O-C 3.58Å; S390-S438 PolarHBondContact O-N 3.1Å
391V92.8Very high93.1Very high41 Ų4168 Ų6825%0.24839%0.394CS..G310 helixtrans-114.45.5173.1-67.30000112.8F386 N388 F389 E393F386-V391 HydrophobicContact CE1-CG1 3.66Å; F386-V391 HydrophobicContact CE1-CG2 4.43Å; F386-V391 HydrophobicContact CZ-CG1 3.5Å; N388-V391 VanDerWaalsContact O-CG2 3.27Å; N388-V391 WeakPolarHBondContact O-CG2 3.37Å; N388-V391 PolarHBondContact O-N 3.43Å; F389-V391 PolarHBondContact O-N 2.98Å; F389-V391 VanDerWaalsContact O-N 3.15Å; V391-E393 HydrophobicContact CG2-CB 4.01Å; V391-E393 HydrophobicContact CG2-CG 3.91Å
392G91.3Very high92.8Very high60 Ų6072 Ų7262%0.61941%0.409SS*.THydrogen-bonded Turntrans77.616.1-178.500000114.7N388 F389N388-G392 PolarHBondContact O-N 3.24Å; F389-G392 PolarHBondContact O-N 3.39Å
393E90.8Very high92.4Very high132 Ų13277.5 Ų77.562%0.61743%0.429SS*.  trans-105.7163.3-174.8-65.9-177-176.100113.1N388 V391N388-E393 CarbonylContact C-O 3.6Å; N388-E393 WeakPolarHBondContact CB-O 3.39Å; N388-E393 PolarHBondContact O-N 3.18Å; N388-E393 VanDerWaalsContact O-N 3.07Å; V391-E393 HydrophobicContact CG2-CB 4.01Å; V391-E393 HydrophobicContact CG2-CG 3.91Å
394T92.2Very high92.2Very high144 Ų14476.2 Ų76.288%0.88342%0.424SS*.  trans-107.1144.8168.8690000110.6
395G89.8Confident92.1Very high35 Ų3577.8 Ų77.836%0.36143%0.432SS..  trans-170.3166.1179.100000112.1N388 V397N388-G395 VanDerWaalsContact ND2-C 3.32Å; N388-G395 WeakPolarHBondContact ND2-CA 3.27Å; N388-G395 PolarHBondContact ND2-N 3.5Å; N388-G395 PolarHBondContact ND2-O 2.96Å; G395-V397 PolarHBondContact O-N 3.32Å
396P90.4Very high91.9Very high89 Ų8975.6 Ų75.658%0.57842%0.42SS*.  trans-65.9129.7177.827.4-33.3000110.7R398P396-R398 HydrophobicContact CB-CG 4.45Å; P396-R398 PolarHBondContact O-N 2.89Å
397V87.3Confident91.9Very high142 Ų14274 Ų7486%0.86141%0.414SS*.  trans-75.7117173.1-176.90000108.9G395G395-V397 PolarHBondContact O-N 3.32Å
398R86.7Confident92Very high206 Ų20672.7 Ų72.778%0.77741%0.406SS*.  trans-129.3173.6-179.4-64.4-178.5-179.4159.41.9110.1P396P396-R398 HydrophobicContact CB-CG 4.45Å; P396-R398 PolarHBondContact O-N 2.89Å
399A88.6Confident92.1Very high70 Ų7071 Ų7158%0.57940%0.399SS*.SBendtrans-59156.1168.400000110.8G401A399-G401 PolarHBondContact O-N 3.43Å
400P89.1Confident92.2Very high74 Ų7465 Ų6548%0.48137%0.373SS..  trans-50.1133.2177.4-28.235.5000112E404 I405P400-E404 HydrophobicContact CB-CB 3.92Å; P400-I405 HydrophobicContact CB-CG1 4.38Å
401G90.6Very high92.3Very high30 Ų3064.8 Ų64.831%0.30937%0.372SS..  trans-85.2-178178.100000112.3A399 R403 E404 I405A399-G401 PolarHBondContact O-N 3.43Å; G401-R403 PolarHBondContact O-N 2.95Å; G401-R403 VanDerWaalsContact O-N 3.15Å; G401-E404 WeakPolarHBondContact CA-OE2 3.44Å; G401-E404 PolarHBondContact N-OE2 3.25Å; G401-E404 PolarHBondContact O-N 3.29Å; G401-I405 VanDerWaalsContact O-CG1 3.32Å; G401-I405 WeakPolarHBondContact O-CG1 3.26Å; G401-I405 PolarHBondContact O-N 2.82Å; G401-I405 VanDerWaalsContact O-N 3.11Å
402R91.5Very high92.6Very high100 Ų10064.4 Ų64.438%0.37737%0.367SS..Hα-helixtrans-59.9-26.2179.5-57.8-169.4174.7-177.5-3.4112.5V61 N62 T89 R93 G406V61-R402 PolarHBondContact O-NH1 3.33Å; N62-R402 PolarHBondContact OD1-NH2 2.91Å; T89-R402 HydrophobicContact CG2-CB 3.7Å; T89-R402 HydrophobicContact CG2-CG 3.58Å; R93-R402 WeakPolarHBondContact CD-O 3.45Å; R93-R402 VanDerWaalsContact NH1-C 3.33Å; R93-R402 PolarHBondContact NH1-O 2.87Å; R402-G406 PolarHBondContact O-N 3.13Å
403R90.3Very high92.9Very high124 Ų12463.5 Ų63.547%0.46835%0.345SS..Hα-helixtrans-76.3-45.6179.8-169.9179.5-173.8-179.13.4111.8G401 G406 H407G401-R403 PolarHBondContact O-N 2.95Å; G401-R403 VanDerWaalsContact O-N 3.15Å; R403-G406 PolarHBondContact O-N 3.35Å; R403-H407 PolarHBondContact O-N 2.88Å
404E94.4Very high93.2Very high40 Ų4057.2 Ų57.219%0.18732%0.316CS..Hα-helixtrans-64.5-45.5179.7-65.273.2-158.600110.7Y384 F386 P400 G401 G406 H407 G408Y384-E404 HydrophobicContact CD1-CB 4.25Å; Y384-E404 HydrophobicContact CD1-CG 4.41Å; F386-E404 HydrophobicContact CB-CG 4.14Å; P400-E404 HydrophobicContact CB-CB 3.92Å; G401-E404 WeakPolarHBondContact CA-OE2 3.44Å; G401-E404 PolarHBondContact N-OE2 3.25Å; G401-E404 PolarHBondContact O-N 3.29Å; E404-G406 VanDerWaalsContact C-N 3.33Å; E404-G406 PolarHBondContact O-N 3.15Å; E404-H407 PolarHBondContact O-N 2.87Å; E404-G408 PolarHBondContact O-N 3.01Å
405I94.5Very high93.5Very high38 Ų3850.3 Ų50.320%0.19527%0.274CS..Hα-helixtrans-59.1-45.9174-62.7169.9000110.5D86 P400 G401 H407 G408 A409D86-I405 HydrophobicContact CB-CG2 3.89Å; P400-I405 HydrophobicContact CB-CG1 4.38Å; G401-I405 VanDerWaalsContact O-CG1 3.32Å; G401-I405 WeakPolarHBondContact O-CG1 3.26Å; G401-I405 PolarHBondContact O-N 2.82Å; G401-I405 VanDerWaalsContact O-N 3.11Å; I405-H407 PolarHBondContact O-N 2.81Å; I405-G408 PolarHBondContact O-N 3.19Å; I405-A409 WeakPolarHBondContact O-CB 3.42Å; I405-A409 PolarHBondContact O-N 3.07Å
406G94.6Very high93.8Very high1 Ų152.8 Ų52.81%0.0127%0.274CS..Hα-helixtrans-59.3-42.8177.100000114R402 R403 E404 L410R402-G406 PolarHBondContact O-N 3.13Å; R403-G406 PolarHBondContact O-N 3.35Å; E404-G406 VanDerWaalsContact C-N 3.33Å; E404-G406 PolarHBondContact O-N 3.15Å; G406-L410 PolarHBondContact O-N 3.29Å; G406-L410 VanDerWaalsContact O-N 3.09Å
407H95.9Very high94Very high8 Ų851.2 Ų51.24%0.03726%0.257CS..Hα-helixtrans-72.1-35.9178-72.5-177.7000112.6Y384 R403 E404 I405 L410 G411Y384-H407 HydrophobicContact CD1-CB 3.58Å; Y384-H407 HydrophobicContact CD2-CB 3.95Å; Y384-H407 HydrophobicContact CE1-CB 3.82Å; Y384-H407 AromaticContact CE1-ND1 3.43Å; Y384-H407 WeakPolarHBondContact CE1-ND1 3.41Å; Y384-H407 HydrophobicContact CE2-CB 4.18Å; Y384-H407 HydrophobicContact CG-CB 3.63Å; Y384-H407 AromaticContact CZ-ND1 3.39Å; Y384-H407 PolarHBondContact OH-ND1 3.36Å; R403-H407 PolarHBondContact O-N 2.88Å; E404-H407 PolarHBondContact O-N 2.87Å; I405-H407 PolarHBondContact O-N 2.81Å; H407-L410 PolarHBondContact O-N 3.23Å; H407-G411 PolarHBondContact O-N 2.92Å
408G97.2Very high94.5Very high3 Ų344.5 Ų44.53%0.03122%0.217CC..Hα-helixtrans-62.6-47.5173.200000111.7E404 I405 L410 G411 E412E404-G408 PolarHBondContact O-N 3.01Å; I405-G408 PolarHBondContact O-N 3.19Å; G408-L410 VanDerWaalsContact C-N 3.31Å; G408-L410 PolarHBondContact O-N 2.81Å; G408-G411 PolarHBondContact O-N 3.48Å; G408-G411 VanDerWaalsContact O-N 3.12Å; G408-E412 PolarHBondContact O-N 3.28Å
409A96.3Very high95Very high20 Ų2035.9 Ų35.917%0.16519%0.185CC..Hα-helixtrans-60.5-38.4176.200000112.7L90 I405 E412 R413L90-A409 HydrophobicContact CD1-CB 3.68Å; L90-A409 HydrophobicContact CD2-CB 3.88Å; L90-A409 HydrophobicContact CG-CB 4.42Å; I405-A409 WeakPolarHBondContact O-CB 3.42Å; I405-A409 PolarHBondContact O-N 3.07Å; A409-E412 PolarHBondContact O-N 3.09Å; A409-R413 VanDerWaalsContact O-CB 3.3Å; A409-R413 WeakPolarHBondContact O-CB 3.32Å; A409-R413 PolarHBondContact O-N 3.44Å
410L97.1Very high95.3Very high3 Ų333.3 Ų33.32%0.01616%0.163CC..Hα-helixtrans-64.3-44.1173.6-18061.6000111.8G406 H407 G408 E412 R413 A414 K498 A508 Q510G406-L410 PolarHBondContact O-N 3.29Å; G406-L410 VanDerWaalsContact O-N 3.09Å; H407-L410 PolarHBondContact O-N 3.23Å; G408-L410 VanDerWaalsContact C-N 3.31Å; G408-L410 PolarHBondContact O-N 2.81Å; L410-E412 VanDerWaalsContact C-N 3.31Å; L410-E412 PolarHBondContact O-N 3.37Å; L410-R413 PolarHBondContact O-N 3.31Å; L410-A414 WeakPolarHBondContact O-CB 3.18Å; L410-A414 PolarHBondContact O-N 2.63Å; L410-K498 HydrophobicContact CD2-CB 4.21Å; L410-K498 HydrophobicContact CD2-CD 3.51Å; L410-A508 HydrophobicContact CD1-CB 4.09Å; L410-Q510 HydrophobicContact CD1-CB 3.97Å; L410-Q510 HydrophobicContact CD2-CB 4.06Å
411G97.9Very high95.5Very high1 Ų135.5 Ų35.51%0.0117%0.171CC..Hα-helixtrans-62.3-39.7176.700000112.5H407 G408 L415H407-G411 PolarHBondContact O-N 2.92Å; G408-G411 PolarHBondContact O-N 3.48Å; G408-G411 VanDerWaalsContact O-N 3.12Å; G411-L415 WeakPolarHBondContact O-CG 3.32Å; G411-L415 PolarHBondContact O-N 3.34Å
412E97.9Very high95.5Very high32 Ų3236.8 Ų36.815%0.1517%0.172CC..Hα-helixtrans-63.4-50173.4-165177.9111.600112.1K378 F380 H382 G408 A409 L410 A414 L415 K416K378-E412 WeakPolarHBondContact CE-OE1 3.32Å; K378-E412 WeakPolarHBondContact CE-OE2 3.38Å; K378-E412 IonicContact NZ-OE1 3.65Å; K378-E412 PolarHBondContact NZ-OE1 3.42Å; K378-E412 IonicContact NZ-OE2 3.64Å; K378-E412 PolarHBondContact NZ-OE2 2.93Å; F380-E412 HydrophobicContact CD1-CG 3.76Å; F380-E412 HydrophobicContact CE1-CB 4.43Å; F380-E412 HydrophobicContact CE1-CG 3.79Å; H382-E412 HydrophobicContact CB-CB 3.79Å; H382-E412 HydrophobicContact CB-CG 4.37Å; H382-E412 PolarHBondContact N-OE2 3.33Å; G408-E412 PolarHBondContact O-N 3.28Å; A409-E412 PolarHBondContact O-N 3.09Å; L410-E412 VanDerWaalsContact C-N 3.31Å; L410-E412 PolarHBondContact O-N 3.37Å; E412-A414 PolarHBondContact O-N 3.31Å; E412-L415 PolarHBondContact O-N 3.09Å; E412-K416 WeakPolarHBondContact O-CB 3.32Å; E412-K416 PolarHBondContact O-N 3.4Å
413R97.2Very high95.3Very high41 Ų4136 Ų3616%0.15519%0.188CC..Hα-helixtrans-60.3-36.8-179.3-169-179.5-70.9137.8-14.5111.7E190 A191 G192 A409 L410 L415 A508E190-R413 IonicContact OE1-CZ 3.7Å; E190-R413 IonicContact OE1-NH1 3.76Å; E190-R413 PolarHBondContact OE1-NH1 3.38Å; E190-R413 IonicContact OE1-NH2 3.48Å; E190-R413 PolarHBondContact OE1-NH2 2.95Å; E190-R413 VanDerWaalsContact OE1-NH2 3.15Å; A191-R413 VanDerWaalsContact C-CD 3.44Å; A191-R413 VanDerWaalsContact O-CD 3.23Å; A191-R413 WeakPolarHBondContact O-CD 3.21Å; G192-R413 VanDerWaalsContact CA-CD 3.47Å; A409-R413 VanDerWaalsContact O-CB 3.3Å; A409-R413 WeakPolarHBondContact O-CB 3.32Å; A409-R413 PolarHBondContact O-N 3.44Å; L410-R413 PolarHBondContact O-N 3.31Å; R413-L415 VanDerWaalsContact C-N 3.28Å; R413-L415 PolarHBondContact O-N 3.4Å; R413-A508 HydrophobicContact CG-CB 4.43Å
414A98.1Very high95.3Very high0 Ų036 Ų360%020%0.197CC..Hα-helixtrans-66.3-27.8176.900000113.7L410 E412 I447 A500 T507 A508L410-A414 WeakPolarHBondContact O-CB 3.18Å; L410-A414 PolarHBondContact O-N 2.63Å; E412-A414 PolarHBondContact O-N 3.31Å; A414-I447 HydrophobicContact CB-CD1 3.63Å; A414-I447 HydrophobicContact CB-CG1 4.07Å; A414-I447 HydrophobicContact CB-CG2 4.25Å; A414-A500 HydrophobicContact CB-CB 3.71Å; A414-T507 WeakPolarHBondContact O-CB 3.37Å; A414-T507 PolarHBondContact O-OG1 2.83Å; A414-A508 HydrophobicContact CB-CB 3.82Å
415L98.5Very high95.3Very high0 Ų034.6 Ų34.60%019%0.19CC..Hα-helixtrans-107.1-24.7-172.8-64.5171.2000113F380 G411 E412 R413 Y417 I418 I419 I447 S450 T451 L454 V465F380-L415 HydrophobicContact CE1-CB 3.71Å; F380-L415 HydrophobicContact CZ-CB 3.69Å; F380-L415 HydrophobicContact CZ-CD1 4.08Å; G411-L415 WeakPolarHBondContact O-CG 3.32Å; G411-L415 PolarHBondContact O-N 3.34Å; E412-L415 PolarHBondContact O-N 3.09Å; R413-L415 VanDerWaalsContact C-N 3.28Å; R413-L415 PolarHBondContact O-N 3.4Å; L415-Y417 PolarHBondContact O-N 3.49Å; L415-I418 HydrophobicContact CB-CD1 4.18Å; L415-I418 HydrophobicContact CD2-CD1 4.12Å; L415-I418 HydrophobicContact CD2-CG1 4.34Å; L415-I418 WeakPolarHBondContact O-CD1 3.28Å; L415-I418 WeakPolarHBondContact O-CG1 3.46Å; L415-I418 PolarHBondContact O-N 2.8Å; L415-I419 WeakPolarHBondContact O-CG1 3.48Å; L415-I419 PolarHBondContact O-N 3.21Å; L415-I447 HydrophobicContact CD2-CG2 4.38Å; L415-S450 VanDerWaalsContact CD1-CB 3.49Å; L415-T451 WeakPolarHBondContact CD2-OG1 3.02Å; L415-L454 HydrophobicContact CD1-CD1 4.23Å; L415-L454 HydrophobicContact CD2-CD1 4.3Å; L415-V465 HydrophobicContact CD2-CB 3.78Å; L415-V465 HydrophobicContact CD2-CG1 4.23Å; L415-V465 HydrophobicContact CD2-CG2 4.08Å
416K96.5Very high95.1Very high86 Ų8633.3 Ų33.337%0.37418%0.184SC..G310 helixtrans-54.4-35.5-171.472.3176.3-172.2168.50114F380 E412 I418 I419F380-K416 HydrophobicContact CD1-CB 4.2Å; E412-K416 WeakPolarHBondContact O-CB 3.32Å; E412-K416 PolarHBondContact O-N 3.4Å; K416-I418 VanDerWaalsContact C-N 3.3Å; K416-I418 PolarHBondContact O-N 2.94Å; K416-I419 PolarHBondContact O-N 3.2Å
417Y94.2Very high95.1Very high57 Ų5733.9 Ų33.922%0.22419%0.186CC..G310 helixtrans-77.8-10.8-178.5-61.9-76.7000114.5G192 A193 L415G192-Y417 VanDerWaalsContact C-CE2 3.48Å; G192-Y417 PolarHBondContact O-OH 3.14Å; A193-Y417 VanDerWaalsContact C-CD2 3.45Å; A193-Y417 VanDerWaalsContact C-CE2 3.49Å; A193-Y417 WeakPolarHBondContact O-CD2 3.27Å; A193-Y417 WeakPolarHBondContact O-CE2 3.11Å; L415-Y417 PolarHBondContact O-N 3.49Å
418I96.9Very high95.1Very high1 Ų133.7 Ų33.71%0.00519%0.186CC..G310 helixtrans-102.8-5173.760.162.8000112.7L415 K416 L454 I461 K462 V465 T502L415-I418 HydrophobicContact CB-CD1 4.18Å; L415-I418 HydrophobicContact CD2-CD1 4.12Å; L415-I418 HydrophobicContact CD2-CG1 4.34Å; L415-I418 WeakPolarHBondContact O-CD1 3.28Å; L415-I418 WeakPolarHBondContact O-CG1 3.46Å; L415-I418 PolarHBondContact O-N 2.8Å; K416-I418 VanDerWaalsContact C-N 3.3Å; K416-I418 PolarHBondContact O-N 2.94Å; I418-L454 HydrophobicContact CD1-CD1 4.12Å; I418-I461 HydrophobicContact CD1-CB 3.99Å; I418-I461 HydrophobicContact CD1-CG2 3.76Å; I418-I461 CarbonylContact O-C 3.56Å; I418-I461 VanDerWaalsContact O-CA 3.23Å; I418-I461 WeakPolarHBondContact O-CA 3.49Å; I418-I461 WeakPolarHBondContact O-CB 3.45Å; I418-K462 HydrophobicContact CB-CB 4.32Å; I418-K462 HydrophobicContact CG2-CB 4.47Å; I418-K462 PolarHBondContact O-N 3.43Å; I418-V465 HydrophobicContact CG1-CG2 3.74Å; I418-V465 HydrophobicContact CG2-CG2 3.97Å; I418-T502 HydrophobicContact CG2-CG2 3.86Å
419I97.6Very high95.1Very high24 Ų2433.6 Ų33.612%0.12318%0.184CC..SBendtrans-72.9131.4176.2-60.3-58.6000108.4F380 L415 K416 I429 L454F380-I419 HydrophobicContact CB-CG1 4.45Å; F380-I419 HydrophobicContact CD1-CG1 3.94Å; F380-I419 HydrophobicContact CD2-CD1 4.03Å; F380-I419 HydrophobicContact CD2-CG1 4.13Å; F380-I419 HydrophobicContact CE1-CD1 4.45Å; F380-I419 HydrophobicContact CE1-CG1 4.17Å; F380-I419 HydrophobicContact CE2-CD1 3.94Å; F380-I419 HydrophobicContact CE2-CG1 4.36Å; F380-I419 HydrophobicContact CG-CD1 4.34Å; F380-I419 HydrophobicContact CG-CG1 3.91Å; F380-I419 HydrophobicContact CZ-CD1 4.16Å; F380-I419 HydrophobicContact CZ-CG1 4.37Å; L415-I419 WeakPolarHBondContact O-CG1 3.48Å; L415-I419 PolarHBondContact O-N 3.21Å; K416-I419 PolarHBondContact O-N 3.2Å; I419-I429 HydrophobicContact CD1-CD1 4.4Å; I419-I429 HydrophobicContact CG2-CD1 3.79Å; I419-L454 HydrophobicContact CD1-CD1 4.08Å; I419-L454 HydrophobicContact CD1-CD2 3.76Å
420P96Very high95.2Very high17 Ų1737.6 Ų37.611%0.1120%0.195CC..PPolyproline II helixtrans-66.1153177.727.7-37.5000112.5R379 D424 F425 V459 P460R379-P420 PolarHBondContact NH2-O 3.27Å; R379-P420 VanDerWaalsContact NH2-O 3.17Å; P420-D424 HydrophobicContact CB-CB 4.47Å; P420-F425 HydrophobicContact CB-CB 3.97Å; P420-F425 HydrophobicContact CG-CB 3.47Å; P420-F425 VanDerWaalsContact CG-CB 3.47Å; P420-F425 HydrophobicContact CG-CD1 4.22Å; P420-F425 HydrophobicContact CG-CG 3.97Å; P420-V459 HydrophobicContact CG-CG1 3.95Å; P420-P460 HydrophobicContact CB-CG 4.22Å; P420-P460 HydrophobicContact CG-CG 3.95Å
421D92.9Very high95.3Very high120 Ų12037.5 Ų37.564%0.64220%0.195SC*.PPolyproline II helixtrans-63.4161.5176.4-70.5-36.4000112.3A423 D424 F425D421-A423 PolarHBondContact O-N 3.05Å; D421-D424 PolarHBondContact O-N 2.79Å; D421-D424 VanDerWaalsContact O-N 3.17Å; D421-F425 PolarHBondContact O-N 3.46Å
422T89.9Confident95.3Very high56 Ų5638.1 Ų38.134%0.34420%0.198SC..THydrogen-bonded Turntrans-61.2-31.1-178.9-60.60000113.5L363 R379 F425 P426 F600L363-T422 HydrophobicContact CD1-CG2 3.87Å; L363-T422 HydrophobicContact CD2-CG2 3.74Å; L363-T422 HydrophobicContact CG-CG2 4.49Å; R379-T422 VanDerWaalsContact NH1-CA 3.33Å; R379-T422 PolarHBondContact NH1-OG1 2.82Å; R379-T422 VanDerWaalsContact NH1-OG1 3.15Å; T422-F425 CarbonylContact O-C 3.39Å; T422-P426 WeakPolarHBondContact O-CA 3.06Å; T422-P426 WeakPolarHBondContact O-CB 3.32Å; T422-F600 HydrophobicContact CG2-CZ 4.36Å
423A87.9Confident95.4Very high84 Ų8436.6 Ų36.669%0.69419%0.191SC*.THydrogen-bonded Turntrans-64.5-39.1177.300000112.6D421D421-A423 PolarHBondContact O-N 3.05Å
424D90Very high95.4Very high123 Ų12337.7 Ų37.766%0.65820%0.198SC*.THydrogen-bonded Turntrans-88.4-29-176.5-64.7-39.2000112.4P420 D421P420-D424 HydrophobicContact CB-CB 4.47Å; D421-D424 PolarHBondContact O-N 2.79Å; D421-D424 VanDerWaalsContact O-N 3.17Å
425F93.4Very high95.4Very high11 Ų1137.7 Ų37.75%0.04820%0.198CC..  trans-143.886.3-178.3-161.6-106.7000111.1L360 R379 P420 D421 T422 Y427 I429 V459 P460 L552L360-F425 HydrophobicContact CD1-CE1 4.46Å; L360-F425 HydrophobicContact CD1-CZ 3.92Å; L360-F425 HydrophobicContact CD2-CE1 3.65Å; L360-F425 HydrophobicContact CD2-CZ 3.93Å; R379-F425 PolarHBondContact NH1-O 3.19Å; R379-F425 PolarHBondContact NH2-O 2.62Å; P420-F425 HydrophobicContact CB-CB 3.97Å; P420-F425 HydrophobicContact CG-CB 3.47Å; P420-F425 VanDerWaalsContact CG-CB 3.47Å; P420-F425 HydrophobicContact CG-CD1 4.22Å; P420-F425 HydrophobicContact CG-CG 3.97Å; D421-F425 PolarHBondContact O-N 3.46Å; T422-F425 CarbonylContact O-C 3.39Å; F425-Y427 VanDerWaalsContact C-N 3.26Å; F425-Y427 AromaticContact CD1-CD2 3.77Å; F425-Y427 HydrophobicContact CD1-CD2 3.77Å; F425-Y427 HydrophobicContact CD1-CG 4.35Å; F425-Y427 HydrophobicContact CD2-CD2 4.07Å; F425-Y427 HydrophobicContact CD2-CE2 4.41Å; F425-Y427 AromaticContact CE1-CD2 3.57Å; F425-Y427 HydrophobicContact CE1-CD2 3.57Å; F425-Y427 AromaticContact CE1-CG 3.98Å; F425-Y427 HydrophobicContact CE1-CG 3.98Å; F425-Y427 AromaticContact CE2-CD2 3.89Å; F425-Y427 HydrophobicContact CE2-CD2 3.89Å; F425-Y427 HydrophobicContact CE2-CE2 4.11Å; F425-Y427 HydrophobicContact CG-CD2 4.02Å; F425-Y427 AromaticContact CZ-CD2 3.63Å; F425-Y427 HydrophobicContact CZ-CD2 3.63Å; F425-Y427 HydrophobicContact CZ-CE2 4.16Å; F425-Y427 HydrophobicContact CZ-CG 4.3Å; F425-Y427 PolarHBondContact O-N 3.15Å; F425-I429 HydrophobicContact CD1-CD1 4.03Å; F425-I429 HydrophobicContact CE1-CD1 4Å; F425-I429 HydrophobicContact CE1-CG1 4.22Å; F425-V459 HydrophobicContact CD1-CG1 4.06Å; F425-V459 HydrophobicContact CE1-CB 4.23Å; F425-V459 HydrophobicContact CE1-CG1 3.89Å; F425-V459 HydrophobicContact CE1-CG2 3.74Å; F425-V459 HydrophobicContact CZ-CB 4.2Å; F425-V459 HydrophobicContact CZ-CG1 4.28Å; F425-V459 HydrophobicContact CZ-CG2 3.72Å; F425-P460 HydrophobicContact CB-CG 4.25Å; F425-P460 HydrophobicContact CD2-CG 3.85Å; F425-P460 HydrophobicContact CG-CG 4.27Å; F425-L552 HydrophobicContact CE2-CD2 3.97Å; F425-L552 HydrophobicContact CZ-CD2 4.07Å
426P91.9Very high95.4Very high12 Ų1240.3 Ų40.38%0.07821%0.212CC..  trans-80.560.7-169.832.6-38000113.8L363 T422 V559 F600L363-P426 HydrophobicContact CD1-CB 4.07Å; L363-P426 VanDerWaalsContact CD2-C 3.47Å; L363-P426 HydrophobicContact CD2-CB 4.43Å; L363-P426 HydrophobicContact CG-CB 4.42Å; T422-P426 WeakPolarHBondContact O-CA 3.06Å; T422-P426 WeakPolarHBondContact O-CB 3.32Å; P426-V559 HydrophobicContact CB-CG1 4.11Å; P426-V559 HydrophobicContact CG-CB 3.98Å; P426-V559 HydrophobicContact CG-CG1 3.54Å; P426-F600 HydrophobicContact CB-CD1 3.53Å; P426-F600 HydrophobicContact CB-CE1 3.48Å; P426-F600 VanDerWaalsContact CB-CE1 3.48Å; P426-F600 HydrophobicContact CB-CG 4.46Å; P426-F600 HydrophobicContact CB-CZ 4.37Å; P426-F600 HydrophobicContact CG-CD1 4.07Å; P426-F600 HydrophobicContact CG-CE1 4.17Å
427Y94Very high95.4Very high12 Ų1239.5 Ų39.55%0.04721%0.209CC..  trans-131.7143.1-178.6-66.8-83.5000112.8L360 G361 R379 F425 L552 P557 K558 V559L360-Y427 HydrophobicContact CB-CD1 3.97Å; L360-Y427 HydrophobicContact CB-CG 4.39Å; L360-Y427 HydrophobicContact CD2-CG 4.36Å; G361-Y427 WeakPolarHBondContact O-CD1 3.09Å; R379-Y427 WeakPolarHBondContact CG-O 3.4Å; R379-Y427 PolarHBondContact NE-O 3.11Å; R379-Y427 VanDerWaalsContact NE-O 3.16Å; R379-Y427 VanDerWaalsContact NH1-N 3.17Å; R379-Y427 PolarHBondContact NH1-O 3.05Å; F425-Y427 VanDerWaalsContact C-N 3.26Å; F425-Y427 AromaticContact CD1-CD2 3.77Å; F425-Y427 HydrophobicContact CD1-CD2 3.77Å; F425-Y427 HydrophobicContact CD1-CG 4.35Å; F425-Y427 HydrophobicContact CD2-CD2 4.07Å; F425-Y427 HydrophobicContact CD2-CE2 4.41Å; F425-Y427 AromaticContact CE1-CD2 3.57Å; F425-Y427 HydrophobicContact CE1-CD2 3.57Å; F425-Y427 AromaticContact CE1-CG 3.98Å; F425-Y427 HydrophobicContact CE1-CG 3.98Å; F425-Y427 AromaticContact CE2-CD2 3.89Å; F425-Y427 HydrophobicContact CE2-CD2 3.89Å; F425-Y427 HydrophobicContact CE2-CE2 4.11Å; F425-Y427 HydrophobicContact CG-CD2 4.02Å; F425-Y427 AromaticContact CZ-CD2 3.63Å; F425-Y427 HydrophobicContact CZ-CD2 3.63Å; F425-Y427 HydrophobicContact CZ-CE2 4.16Å; F425-Y427 HydrophobicContact CZ-CG 4.3Å; F425-Y427 PolarHBondContact O-N 3.15Å; Y427-L552 HydrophobicContact CE2-CD1 4Å; Y427-L552 WeakPolarHBondContact OH-CD1 3.32Å; Y427-P557 HydrophobicContact CD1-CG 4.4Å; Y427-P557 HydrophobicContact CE1-CB 4.46Å; Y427-P557 HydrophobicContact CE1-CG 4.03Å; Y427-P557 WeakPolarHBondContact CE1-O 3.48Å; Y427-P557 VanDerWaalsContact CZ-O 3.24Å; Y427-P557 PolarHBondContact OH-O 2.72Å; Y427-K558 WeakPolarHBondContact OH-CA 3.34Å; Y427-V559 HydrophobicContact CD1-CG2 4.1Å; Y427-V559 HydrophobicContact CE1-CB 4.24Å; Y427-V559 HydrophobicContact CE1-CG2 3.38Å; Y427-V559 HydrophobicContact CE2-CB 4.35Å; Y427-V559 HydrophobicContact CE2-CG2 4.28Å; Y427-V559 PolarHBondContact OH-N 2.91Å
428T95.5Very high95.5Very high4 Ų437.3 Ų37.33%0.02520%0.203CC..EExtended strand (participates in β ladder)trans-74.2132.5157.6-66.80000108.6L360 G361 A362 L363 D365 Y366 R379 M381L360-T428 CarbonylContact C-O 3.35Å; L360-T428 WeakPolarHBondContact CA-O 3.46Å; G361-T428 PolarHBondContact N-O 3.33Å; G361-T428 PolarHBondContact O-N 3.06Å; A362-T428 WeakPolarHBondContact O-CB 3.17Å; A362-T428 PolarHBondContact O-OG1 2.84Å; L363-T428 PolarHBondContact O-OG1 2.89Å; D365-T428 HydrophobicContact CB-CG2 4.39Å; Y366-T428 PolarHBondContact N-OG1 2.99Å; R379-T428 CarbonylContact O-C 3.58Å; R379-T428 WeakPolarHBondContact O-CA 3.28Å; R379-T428 WeakPolarHBondContact O-CG2 3.42Å; M381-T428 HydrophobicContact CE-CG2 3.33Å
429I98Very high95.4Very high1 Ų137.4 Ų37.41%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-117.7117.7-175.6-57.9168.1000108.4L358 L360 R379 F380 M381 I419 F425 I431 L454 V459L358-I429 HydrophobicContact CD1-CG2 3.95Å; L358-I429 HydrophobicContact CD2-CG2 4.5Å; L358-I429 HydrophobicContact CG-CG2 4.18Å; L360-I429 HydrophobicContact CD2-CG1 3.87Å; R379-I429 PolarHBondContact O-N 2.99Å; F380-I429 WeakPolarHBondContact CA-O 3.23Å; F380-I429 HydrophobicContact CD2-CB 3.9Å; F380-I429 HydrophobicContact CD2-CG2 3.78Å; F380-I429 HydrophobicContact CE2-CG2 4.02Å; M381-I429 PolarHBondContact N-O 2.84Å; I419-I429 HydrophobicContact CD1-CD1 4.4Å; I419-I429 HydrophobicContact CG2-CD1 3.79Å; F425-I429 HydrophobicContact CD1-CD1 4.03Å; F425-I429 HydrophobicContact CE1-CD1 4Å; F425-I429 HydrophobicContact CE1-CG1 4.22Å; I429-I431 HydrophobicContact CG2-CG1 4.29Å; I429-L454 HydrophobicContact CG2-CD2 4.23Å; I429-V459 HydrophobicContact CD1-CG1 4.02Å
430R98.3Very high95.2Very high105 Ų10536.6 Ų36.640%0.39620%0.201SC..EExtended strand (participates in β ladder)trans-115126171.7-179.3174.9173.3-94.60.7110L358 T359 M381 H383 V432L358-R430 WeakPolarHBondContact CA-O 3.38Å; T359-R430 PolarHBondContact N-O 2.81Å; T359-R430 PolarHBondContact O-N 2.86Å; M381-R430 WeakPolarHBondContact O-CA 3.5Å; H383-R430 PolarHBondContact ND1-NE 2.84Å; R430-V432 HydrophobicContact CG-CG2 4.48Å; R430-V432 VanDerWaalsContact NH1-CG2 3.29Å
431I98.7Very high95.1Very high0 Ų036.4 Ų36.40%020%0.2CC..EExtended strand (participates in β ladder)trans-114.3135.8170.1-51.5176.6000109V357 L358 F380 M381 H382 H383 I429 S450 L454V357-I431 WeakPolarHBondContact O-CA 3.31Å; L358-I431 HydrophobicContact CB-CG1 4.28Å; L358-I431 HydrophobicContact CD1-CD1 4.08Å; L358-I431 HydrophobicContact CD1-CG1 4Å; L358-I431 HydrophobicContact CG-CG1 4.03Å; F380-I431 HydrophobicContact CE2-CD1 3.84Å; F380-I431 HydrophobicContact CE2-CG1 4.18Å; F380-I431 HydrophobicContact CZ-CD1 4.28Å; M381-I431 PolarHBondContact O-N 2.95Å; H382-I431 WeakPolarHBondContact CA-O 3.48Å; H383-I431 PolarHBondContact N-O 2.71Å; I429-I431 HydrophobicContact CG2-CG1 4.29Å; I431-S450 VanDerWaalsContact CG2-OG 3.23Å; I431-S450 WeakPolarHBondContact CG2-OG 3.48Å; I431-L454 HydrophobicContact CD1-CD1 3.96Å; I431-L454 HydrophobicContact CD1-CD2 4.07Å; I431-L454 HydrophobicContact CD1-CG 3.73Å
432V98.7Very high95.3Very high14 Ų1431 Ų319%0.08517%0.171CC..EExtended strand (participates in β ladder)trans-119.6121.1170.6-1740000107.9S356 V357 H383 R430S356-V432 CarbonylContact C-O 3.52Å; S356-V432 WeakPolarHBondContact CA-O 3.29Å; V357-V432 PolarHBondContact N-O 3.21Å; V357-V432 PolarHBondContact O-N 3.49Å; H383-V432 HydrophobicContact CB-CG1 4.41Å; H383-V432 HydrophobicContact CB-CG2 4.32Å; H383-V432 CarbonylContact O-C 3.38Å; H383-V432 WeakPolarHBondContact O-CA 3.39Å; R430-V432 HydrophobicContact CG-CG2 4.48Å; R430-V432 VanDerWaalsContact NH1-CG2 3.29Å
433S98.7Very high95.6Very high0 Ų028.5 Ų28.50%016%0.156CC..EExtended strand (participates in β ladder)trans-100.4114174.5-54.50000109.6L355 S356 H382 H383 N385 S450L355-S433 WeakPolarHBondContact O-CA 3.42Å; S356-S433 PolarHBondContact OG-OG 2.79Å; H382-S433 PolarHBondContact CE1-OG 3.38Å; H382-S433 VanDerWaalsContact CE1-OG 3.3Å; H382-S433 PolarHBondContact NE2-OG 3.36Å; H382-S433 VanDerWaalsContact NE2-OG 3.14Å; H383-S433 PolarHBondContact O-N 2.96Å; N385-S433 PolarHBondContact N-O 2.85Å; S433-S450 PolarHBondContact OG-OG 2.9Å
434E98.1Very high96.1Very high64 Ų6424.5 Ų24.530%0.29912%0.123SC..EExtended strand (participates in β ladder)trans-92.8115.4172-61.7-64.7161.900108.5L355 N385 L436L355-E434 PolarHBondContact N-O 3Å; L355-E434 PolarHBondContact O-N 3.22Å; N385-E434 WeakPolarHBondContact CB-OE2 3.29Å; N385-E434 PolarHBondContact ND2-OE1 2.91Å; E434-L436 HydrophobicContact CB-CD2 4.25Å; E434-L436 PolarHBondContact O-N 2.89Å
435V98.3Very high96.6Very high0 Ų018.7 Ų18.70%09%0.092CC..EExtended strand (participates in β ladder)trans-77117.3172.9-177.50000108.7Y384 N385 F386 P387 S390 E437Y384-V435 HydrophobicContact CD2-CG2 4.23Å; Y384-V435 HydrophobicContact CE1-CG2 4.45Å; Y384-V435 HydrophobicContact CE2-CG2 3.4Å; Y384-V435 VanDerWaalsContact CE2-CG2 3.4Å; N385-V435 WeakPolarHBondContact O-CG2 3.29Å; N385-V435 PolarHBondContact O-N 2.92Å; N385-V435 VanDerWaalsContact O-N 3.09Å; F386-V435 HydrophobicContact CD2-CB 3.93Å; F386-V435 HydrophobicContact CD2-CG1 3.97Å; F386-V435 HydrophobicContact CD2-CG2 4.04Å; F386-V435 HydrophobicContact CE2-CB 4.41Å; F386-V435 HydrophobicContact CE2-CG1 3.93Å; P387-V435 VanDerWaalsContact CD-O 3.31Å; P387-V435 WeakPolarHBondContact CD-O 3.31Å; P387-V435 VanDerWaalsContact CG-O 3.31Å; P387-V435 WeakPolarHBondContact CG-O 3.34Å; S390-V435 WeakPolarHBondContact CB-O 3.4Å; V435-E437 WeakPolarHBondContact CG1-O 3.28Å
436L98.2Very high96.8Very high55 Ų5518.2 Ų18.229%0.2889%0.09SC..EExtended strand (participates in β ladder)trans-92.3-33.3-176.5-57.9-173.2000112.2L346 Q353 L355 F389 E434L346-L436 HydrophobicContact CD1-CD1 4.02Å; Q353-L436 HydrophobicContact CB-CB 4.3Å; Q353-L436 HydrophobicContact CG-CB 4.21Å; Q353-L436 HydrophobicContact CG-CD1 4.36Å; Q353-L436 PolarHBondContact O-N 3.06Å; L355-L436 HydrophobicContact CB-CD1 3.88Å; L355-L436 HydrophobicContact CB-CG 4.21Å; F389-L436 HydrophobicContact CE2-CD2 4.41Å; F389-L436 HydrophobicContact CZ-CD2 4.35Å; E434-L436 HydrophobicContact CB-CD2 4.25Å; E434-L436 PolarHBondContact O-N 2.89Å
437E97.2Very high97.1Very high69 Ų6917.6 Ų17.632%0.3229%0.086SC..EExtended strand (participates in β ladder)trans-146.3144.1176-164.6-173.7177.900108.7Q351 T352 Q353 S390 V435Q351-E437 WeakPolarHBondContact CA-OE1 3.2Å; Q351-E437 VanDerWaalsContact CB-OE1 3.27Å; Q351-E437 WeakPolarHBondContact CB-OE1 3.46Å; Q351-E437 WeakPolarHBondContact O-CG 3.31Å; T352-E437 CarbonylContact C-O 3.57Å; T352-E437 WeakPolarHBondContact CA-O 3.47Å; Q353-E437 HydrophobicContact CB-CB 4.08Å; Q353-E437 PolarHBondContact N-O 2.96Å; Q353-E437 PolarHBondContact O-N 3.03Å; S390-E437 CarbonylContact O-C 3.58Å; V435-E437 WeakPolarHBondContact CG1-O 3.28Å
438S95.4Very high97.4Very high12 Ų1217 Ų178%0.0848%0.084CC..  trans-140.6118.7-179.9-175.20000113.7K264 Q351 F386 S390K264-S438 PolarHBondContact NZ-O 3.05Å; K264-S438 VanDerWaalsContact NZ-O 3.15Å; Q351-S438 CarbonylContact O-C 3.51Å; Q351-S438 VanDerWaalsContact O-C 3.3Å; Q351-S438 PolarHBondContact O-N 2.81Å; F386-S438 WeakPolarHBondContact CE2-OG 3.44Å; S390-S438 PolarHBondContact O-N 3.1Å
439N94.6Very high97.5Very high2 Ų216.9 Ų16.91%0.0118%0.083CC..SBendtrans-130.656.3162.3-171.49.6000109.2K264 R329 Q351 T352 Q486 G487K264-N439 HydrophobicContact CD-CB 4.06Å; R329-N439 PolarHBondContact NH1-O 3.28Å; Q351-N439 HydrophobicContact CB-CB 3.74Å; Q351-N439 WeakPolarHBondContact O-CB 3.45Å; Q351-N439 PolarHBondContact O-N 2.77Å; Q351-N439 PolarHBondContact OE1-ND2 2.76Å; T352-N439 PolarHBondContact OG1-N 2.85Å; N439-Q486 VanDerWaalsContact O-CA 3.32Å; N439-Q486 WeakPolarHBondContact O-CA 3.43Å; N439-G487 PolarHBondContact O-N 2.75Å; N439-G487 PolarHBondContact OD1-N 3.17Å
440G93.5Very high97.6Very high8 Ų816.8 Ų16.88%0.0828%0.083CC..SBendtrans88157.6177.800000114.5R329 T352 S442R329-G440 PolarHBondContact NH2-O 3.13Å; T352-G440 WeakPolarHBondContact CG2-O 3.46Å; T352-G440 PolarHBondContact OG1-O 2.83Å; G440-S442 VanDerWaalsContact C-N 3.27Å; G440-S442 PolarHBondContact O-N 2.73Å
441S94.2Very high97.6Very high12 Ų1211.9 Ų11.98%0.0846%0.064CC..  trans55.833.1177.7-154.50000115.3R349 Q444 A445 A469R349-S441 PolarHBondContact NH2-O 3.22Å; R349-S441 PolarHBondContact NH2-OG 3.15Å; S441-Q444 PolarHBondContact O-N 2.95Å; S441-Q444 WeakPolarHBondContact OG-CB 3.35Å; S441-Q444 WeakPolarHBondContact OG-CG 3.29Å; S441-A445 PolarHBondContact O-N 3.25Å; S441-A469 WeakPolarHBondContact OG-CB 3.49Å; S441-A469 PolarHBondContact OG-N 2.79Å
442S97Very high97.6Very high7 Ų711.9 Ų11.95%0.0496%0.064CC..Hα-helixtrans-71.3-33.7-17757.20000114.2Y384 G440 Q444 A445 S446Y384-S442 WeakPolarHBondContact OH-CB 3.43Å; Y384-S442 PolarHBondContact OH-OG 3.41Å; G440-S442 VanDerWaalsContact C-N 3.27Å; G440-S442 PolarHBondContact O-N 2.73Å; S442-Q444 VanDerWaalsContact C-N 3.26Å; S442-Q444 PolarHBondContact O-N 3.32Å; S442-A445 PolarHBondContact O-N 3.46Å; S442-S446 PolarHBondContact O-N 3.3Å; S442-S446 PolarHBondContact O-OG 2.76Å
443S96.9Very high97.6Very high3 Ų311.2 Ų11.22%0.0216%0.06CC..Hα-helixtrans-65.8-33.4173.558.80000111.7S446 I447S443-S446 WeakPolarHBondContact O-CB 3.24Å; S443-S446 PolarHBondContact O-N 3.07Å; S443-I447 WeakPolarHBondContact O-CG1 3.27Å; S443-I447 PolarHBondContact O-N 3.37Å; S443-I447 VanDerWaalsContact O-N 3.09Å
444Q98.5Very high97.6Very high1 Ų111.2 Ų11.21%0.0056%0.06CC..Hα-helixtrans-74.7-39.3177.3-56.6-51.5-66.500111.4S441 S442 S446 I447 C448 A469 K498S441-Q444 PolarHBondContact O-N 2.95Å; S441-Q444 WeakPolarHBondContact OG-CB 3.35Å; S441-Q444 WeakPolarHBondContact OG-CG 3.29Å; S442-Q444 VanDerWaalsContact C-N 3.26Å; S442-Q444 PolarHBondContact O-N 3.32Å; Q444-S446 PolarHBondContact O-N 3.18Å; Q444-I447 PolarHBondContact O-N 2.92Å; Q444-I447 VanDerWaalsContact O-N 3.17Å; Q444-C448 PolarHBondContact O-N 3.16Å; Q444-C448 VanDerWaalsContact O-N 3.13Å; Q444-C448 PolarHBondContact O-SG 3.04Å; Q444-A469 HydrophobicContact CG-CB 4.19Å; Q444-K498 HydrophobicContact CG-CB 4.36Å; Q444-K498 HydrophobicContact CG-CG 4.33Å
445A98.5Very high97.6Very high0 Ų08.4 Ų8.40%05%0.047CC..Hα-helixtrans-58.1-38.116800000111.9F347 T352 A354 S441 S442 C448 G449F347-A445 HydrophobicContact CD1-CB 3.8Å; F347-A445 HydrophobicContact CE1-CB 4.25Å; T352-A445 HydrophobicContact CG2-CB 3.82Å; A354-A445 HydrophobicContact CB-CB 4.05Å; S441-A445 PolarHBondContact O-N 3.25Å; S442-A445 PolarHBondContact O-N 3.46Å; A445-C448 PolarHBondContact O-N 3.23Å; A445-G449 PolarHBondContact O-N 3.21Å
446S98.7Very high97.6Very high1 Ų19 Ų91%0.0075%0.05CC..Hα-helixtrans-66.6-33.9176.1-58.90000112.9S356 Y384 S442 S443 Q444 S450S356-S446 PolarHBondContact OG-O 3.31Å; Y384-S446 WeakPolarHBondContact CD2-OG 3.41Å; Y384-S446 WeakPolarHBondContact CE2-OG 3.43Å; S442-S446 PolarHBondContact O-N 3.3Å; S442-S446 PolarHBondContact O-OG 2.76Å; S443-S446 WeakPolarHBondContact O-CB 3.24Å; S443-S446 PolarHBondContact O-N 3.07Å; Q444-S446 PolarHBondContact O-N 3.18Å; S446-S450 WeakPolarHBondContact O-CB 3.2Å; S446-S450 PolarHBondContact O-N 3.36Å; S446-S450 PolarHBondContact O-OG 3.48Å
447I98.8Very high97.6Very high0 Ų06.4 Ų6.40%04%0.036CC..Hα-helixtrans-64.8-48.6173.2-70.6165.4000109.9A414 L415 S443 Q444 S450 T451 V465 A500A414-I447 HydrophobicContact CB-CD1 3.63Å; A414-I447 HydrophobicContact CB-CG1 4.07Å; A414-I447 HydrophobicContact CB-CG2 4.25Å; L415-I447 HydrophobicContact CD2-CG2 4.38Å; S443-I447 WeakPolarHBondContact O-CG1 3.27Å; S443-I447 PolarHBondContact O-N 3.37Å; S443-I447 VanDerWaalsContact O-N 3.09Å; Q444-I447 PolarHBondContact O-N 2.92Å; Q444-I447 VanDerWaalsContact O-N 3.17Å; I447-S450 PolarHBondContact O-N 3.36Å; I447-T451 PolarHBondContact O-N 3.31Å; I447-T451 PolarHBondContact O-OG1 3Å; I447-V465 HydrophobicContact CG2-CB 4.47Å; I447-V465 HydrophobicContact CG2-CG1 3.71Å; I447-A500 HydrophobicContact CD1-CB 3.91Å; I447-A500 HydrophobicContact CG2-CB 4.41Å
448C98.8Very high97.5Very high0 Ų03.6 Ų3.60%03%0.026CC..Hα-helixtrans-59-49.5176.8-64.60000111.9F347 Q444 A445 S450 T451 L452 G467 M541F347-C448 HydrophobicContact CB-CB 4.18Å; F347-C448 HydrophobicContact CD1-CB 3.7Å; F347-C448 HydrophobicContact CD2-CB 3.61Å; F347-C448 HydrophobicContact CE1-CB 3.89Å; F347-C448 HydrophobicContact CE2-CB 3.82Å; F347-C448 HydrophobicContact CG-CB 3.53Å; F347-C448 HydrophobicContact CZ-CB 3.95Å; Q444-C448 PolarHBondContact O-N 3.16Å; Q444-C448 VanDerWaalsContact O-N 3.13Å; Q444-C448 PolarHBondContact O-SG 3.04Å; A445-C448 PolarHBondContact O-N 3.23Å; C448-S450 VanDerWaalsContact C-N 3.29Å; C448-S450 PolarHBondContact O-N 2.91Å; C448-T451 PolarHBondContact O-N 3.5Å; C448-L452 WeakPolarHBondContact O-CG 3.48Å; C448-L452 PolarHBondContact O-N 2.8Å; C448-G467 PolarHBondContact SG-N 3.06Å; C448-G467 VanDerWaalsContact SG-N 3.42Å; C448-M541 HydrophobicContact CB-CE 4.45Å; C448-M541 HydrophobicContact CB-SD 3.48Å; C448-M541 WeakPolarHBondContact CB-SD 3.45Å
449G98.7Very high97.6Very high0 Ų03 Ų30%02%0.022CC..Hα-helixtrans-58.4-40.4175.100000112.3S356 A445 L452 A453S356-G449 WeakPolarHBondContact CB-O 3.48Å; S356-G449 VanDerWaalsContact OG-C 3.25Å; A445-G449 PolarHBondContact O-N 3.21Å; G449-L452 WeakPolarHBondContact O-CB 3.46Å; G449-L452 PolarHBondContact O-N 3.18Å; G449-A453 WeakPolarHBondContact O-CB 3.18Å; G449-A453 PolarHBondContact O-N 3.49Å
450S98.8Very high97.7Very high0 Ų05.9 Ų5.90%04%0.041CC..Hα-helixtrans-67.6-37.9177.1-74.50000112.9S356 H382 L415 I431 S433 S446 I447 C448 A453 L454S356-S450 PolarHBondContact OG-N 2.96Å; S356-S450 VanDerWaalsContact OG-N 3.12Å; S356-S450 PolarHBondContact OG-OG 2.92Å; H382-S450 PolarHBondContact CD2-OG 3.32Å; H382-S450 PolarHBondContact NE2-OG 3.48Å; L415-S450 VanDerWaalsContact CD1-CB 3.49Å; I431-S450 VanDerWaalsContact CG2-OG 3.23Å; I431-S450 WeakPolarHBondContact CG2-OG 3.48Å; S433-S450 PolarHBondContact OG-OG 2.9Å; S446-S450 WeakPolarHBondContact O-CB 3.2Å; S446-S450 PolarHBondContact O-N 3.36Å; S446-S450 PolarHBondContact O-OG 3.48Å; I447-S450 PolarHBondContact O-N 3.36Å; C448-S450 VanDerWaalsContact C-N 3.29Å; C448-S450 PolarHBondContact O-N 2.91Å; S450-A453 PolarHBondContact O-N 3.03Å; S450-L454 WeakPolarHBondContact O-CB 3.45Å; S450-L454 WeakPolarHBondContact O-CD1 3.35Å; S450-L454 VanDerWaalsContact O-CG 3.32Å; S450-L454 WeakPolarHBondContact O-CG 3.38Å; S450-L454 PolarHBondContact O-N 3.07Å
451T98.8Very high97.9Very high1 Ų16.3 Ų6.31%0.0064%0.041CC..Hα-helixtrans-61.7-46.1172-67.60000111L415 I447 C448 A453 L454 M455 I461 P464 V465L415-T451 WeakPolarHBondContact CD2-OG1 3.02Å; I447-T451 PolarHBondContact O-N 3.31Å; I447-T451 PolarHBondContact O-OG1 3Å; C448-T451 PolarHBondContact O-N 3.5Å; T451-A453 VanDerWaalsContact C-N 3.32Å; T451-A453 PolarHBondContact O-N 2.77Å; T451-L454 WeakPolarHBondContact O-CB 3.49Å; T451-L454 PolarHBondContact O-N 3.46Å; T451-M455 HydrophobicContact CG2-SD 4.12Å; T451-M455 WeakPolarHBondContact O-CG 3.09Å; T451-M455 PolarHBondContact O-N 2.99Å; T451-I461 HydrophobicContact CG2-CD1 4.33Å; T451-P464 HydrophobicContact CG2-CB 3.69Å; T451-V465 WeakPolarHBondContact CB-O 3.38Å; T451-V465 PolarHBondContact OG1-O 2.87Å
452L98.8Very high98Very high0 Ų012.1 Ų12.10%07%0.065CC..Hα-helixtrans-57.7-44.3173.6-70.3173.1000111.5V335 F347 C448 G449 L454 M455 D456 M541 I545V335-L452 HydrophobicContact CG1-CB 3.88Å; V335-L452 HydrophobicContact CG1-CD2 4.04Å; V335-L452 HydrophobicContact CG1-CG 4.46Å; F347-L452 HydrophobicContact CB-CD1 4.27Å; F347-L452 HydrophobicContact CD2-CD1 4.33Å; C448-L452 WeakPolarHBondContact O-CG 3.48Å; C448-L452 PolarHBondContact O-N 2.8Å; G449-L452 WeakPolarHBondContact O-CB 3.46Å; G449-L452 PolarHBondContact O-N 3.18Å; L452-L454 PolarHBondContact O-N 2.86Å; L452-M455 PolarHBondContact O-N 3.2Å; L452-D456 VanDerWaalsContact O-CB 3.28Å; L452-D456 WeakPolarHBondContact O-CB 3.38Å; L452-D456 PolarHBondContact O-N 3.09Å; L452-M541 HydrophobicContact CD1-CG 4.49Å; L452-M541 HydrophobicContact CD2-CB 4.03Å; L452-M541 HydrophobicContact CD2-CG 4.29Å; L452-M541 HydrophobicContact CG-CG 4.41Å; L452-M541 HydrophobicContact CG-SD 4.25Å; L452-I545 HydrophobicContact CD2-CG2 3.68Å
453A98.7Very high98Very high0 Ų012.8 Ų12.80%07%0.07CC..Hα-helixtrans-66.2-35.6178.300000113.5L358 G449 S450 T451 A457L358-A453 HydrophobicContact CB-CB 4.12Å; G449-A453 WeakPolarHBondContact O-CB 3.18Å; G449-A453 PolarHBondContact O-N 3.49Å; S450-A453 PolarHBondContact O-N 3.03Å; T451-A453 VanDerWaalsContact C-N 3.32Å; T451-A453 PolarHBondContact O-N 2.77Å; A453-A457 VanDerWaalsContact O-CB 3.25Å; A453-A457 WeakPolarHBondContact O-CB 3.5Å; A453-A457 PolarHBondContact O-N 3.26Å
454L98.7Very high98.1Very high0 Ų014.1 Ų14.10%08%0.079CC..Hα-helixtrans-62.7-47.8173.2-78.3159.3000111L358 L415 I418 I419 I429 I431 S450 T451 L452 A457 G458 V459 I461L358-L454 HydrophobicContact CD1-CB 4.4Å; L358-L454 HydrophobicContact CD1-CD2 3.58Å; L358-L454 HydrophobicContact CD1-CG 3.92Å; L415-L454 HydrophobicContact CD1-CD1 4.23Å; L415-L454 HydrophobicContact CD2-CD1 4.3Å; I418-L454 HydrophobicContact CD1-CD1 4.12Å; I419-L454 HydrophobicContact CD1-CD1 4.08Å; I419-L454 HydrophobicContact CD1-CD2 3.76Å; I429-L454 HydrophobicContact CG2-CD2 4.23Å; I431-L454 HydrophobicContact CD1-CD1 3.96Å; I431-L454 HydrophobicContact CD1-CD2 4.07Å; I431-L454 HydrophobicContact CD1-CG 3.73Å; S450-L454 WeakPolarHBondContact O-CB 3.45Å; S450-L454 WeakPolarHBondContact O-CD1 3.35Å; S450-L454 VanDerWaalsContact O-CG 3.32Å; S450-L454 WeakPolarHBondContact O-CG 3.38Å; S450-L454 PolarHBondContact O-N 3.07Å; T451-L454 WeakPolarHBondContact O-CB 3.49Å; T451-L454 PolarHBondContact O-N 3.46Å; L452-L454 PolarHBondContact O-N 2.86Å; L454-A457 PolarHBondContact O-N 3.39Å; L454-G458 PolarHBondContact O-N 3.37Å; L454-V459 HydrophobicContact CB-CB 4.47Å; L454-V459 HydrophobicContact CD2-CB 3.93Å; L454-V459 HydrophobicContact CD2-CG1 3.95Å; L454-V459 HydrophobicContact CD2-CG2 3.9Å; L454-V459 WeakPolarHBondContact O-CB 3.48Å; L454-V459 PolarHBondContact O-N 2.91Å; L454-I461 HydrophobicContact CB-CD1 4.43Å; L454-I461 HydrophobicContact CB-CG2 3.97Å; L454-I461 HydrophobicContact CD1-CG2 4.19Å; L454-I461 HydrophobicContact CD2-CG2 4.13Å; L454-I461 HydrophobicContact CG-CG2 4.33Å
455M98.5Very high98.1Very high6 Ų614.1 Ų14.13%0.038%0.079CC..Hα-helixtrans-66.4-43.3178.8-64.8175.173.300111.4T451 L452 A457 G458 I461 P464 L542 I545 P548 R549T451-M455 HydrophobicContact CG2-SD 4.12Å; T451-M455 WeakPolarHBondContact O-CG 3.09Å; T451-M455 PolarHBondContact O-N 2.99Å; L452-M455 PolarHBondContact O-N 3.2Å; M455-A457 VanDerWaalsContact C-N 3.3Å; M455-A457 PolarHBondContact O-N 3.34Å; M455-G458 PolarHBondContact O-N 3.35Å; M455-G458 VanDerWaalsContact O-N 3.07Å; M455-I461 HydrophobicContact CG-CD1 3.73Å; M455-I461 HydrophobicContact CG-CG1 4.44Å; M455-I461 HydrophobicContact SD-CD1 4.41Å; M455-P464 HydrophobicContact SD-CB 4.17Å; M455-L542 HydrophobicContact CE-CD2 4.22Å; M455-I545 HydrophobicContact CB-CD1 3.83Å; M455-I545 HydrophobicContact CB-CG1 4.24Å; M455-I545 HydrophobicContact CB-CG2 4.04Å; M455-I545 HydrophobicContact CE-CG1 4.28Å; M455-I545 HydrophobicContact CE-CG2 4.04Å; M455-I545 WeakPolarHBondContact CE-O 3.29Å; M455-I545 HydrophobicContact SD-CG2 4.1Å; M455-P548 HydrophobicContact CG-CG 4.25Å; M455-P548 CarbonylContact O-C 3.56Å; M455-P548 WeakPolarHBondContact O-CA 3.36Å; M455-R549 PolarHBondContact O-N 2.97Å
456D98.3Very high98.1Very high12 Ų1214.1 Ų14.16%0.0648%0.079CC..Hα-helixtrans-61.6-37.5176.3-175.151.2000112.3V335 G336 G343 S344 L452 G458 R549V335-D456 HydrophobicContact CB-CB 3.97Å; V335-D456 HydrophobicContact CG1-CB 4.2Å; G336-D456 VanDerWaalsContact CA-OD2 3.28Å; G336-D456 WeakPolarHBondContact CA-OD2 3.5Å; G336-D456 PolarHBondContact N-OD2 2.92Å; G336-D456 VanDerWaalsContact N-OD2 3.12Å; G343-D456 WeakPolarHBondContact CA-OD2 3.15Å; S344-D456 PolarHBondContact N-OD2 3.04Å; L452-D456 VanDerWaalsContact O-CB 3.28Å; L452-D456 WeakPolarHBondContact O-CB 3.38Å; L452-D456 PolarHBondContact O-N 3.09Å; D456-G458 PolarHBondContact O-N 3.19Å; D456-R549 WeakPolarHBondContact O-CD 3.26Å; D456-R549 WeakPolarHBondContact O-CG 3.32Å; D456-R549 PolarHBondContact O-NE 2.86Å; D456-R549 IonicContact OD1-CZ 3.12Å; D456-R549 IonicContact OD1-NE 2.7Å; D456-R549 PolarHBondContact OD1-NE 2.82Å; D456-R549 IonicContact OD1-NH2 2.8Å; D456-R549 PolarHBondContact OD1-NH2 2.78Å
457A97.2Very high98.1Very high0 Ų014 Ų140%08%0.079CC..THydrogen-bonded Turntrans-72.8-9.4176.400000114.3H342 L358 A453 L454 M455 V459 L552H342-A457 WeakPolarHBondContact O-CA 3.44Å; L358-A457 HydrophobicContact CB-CB 4.47Å; L358-A457 HydrophobicContact CD1-CB 3.97Å; L358-A457 HydrophobicContact CD2-CB 3.67Å; L358-A457 HydrophobicContact CG-CB 4.25Å; A453-A457 VanDerWaalsContact O-CB 3.25Å; A453-A457 WeakPolarHBondContact O-CB 3.5Å; A453-A457 PolarHBondContact O-N 3.26Å; L454-A457 PolarHBondContact O-N 3.39Å; M455-A457 VanDerWaalsContact C-N 3.3Å; M455-A457 PolarHBondContact O-N 3.34Å; A457-V459 HydrophobicContact CB-CG2 4.12Å; A457-L552 WeakPolarHBondContact O-CD2 3.37Å
458G96.3Very high98.1Very high10 Ų1014 Ų1410%0.1038%0.079CC..THydrogen-bonded Turntrans74.724.6-174.500000113.9L454 M455 D456 P460 R549L454-G458 PolarHBondContact O-N 3.37Å; M455-G458 PolarHBondContact O-N 3.35Å; M455-G458 VanDerWaalsContact O-N 3.07Å; D456-G458 PolarHBondContact O-N 3.19Å; G458-P460 WeakPolarHBondContact O-CD 3.26Å; G458-R549 WeakPolarHBondContact CA-O 3.32Å
459V97.3Very high98Very high0 Ų014 Ų140%08%0.079CC..  trans-71.3123.4171-176.20000108.2L358 L360 P420 F425 I429 L454 A457 I461 P548L358-V459 HydrophobicContact CD1-CG2 4.07Å; L360-V459 HydrophobicContact CD2-CG2 4.22Å; P420-V459 HydrophobicContact CG-CG1 3.95Å; F425-V459 HydrophobicContact CD1-CG1 4.06Å; F425-V459 HydrophobicContact CE1-CB 4.23Å; F425-V459 HydrophobicContact CE1-CG1 3.89Å; F425-V459 HydrophobicContact CE1-CG2 3.74Å; F425-V459 HydrophobicContact CZ-CB 4.2Å; F425-V459 HydrophobicContact CZ-CG1 4.28Å; F425-V459 HydrophobicContact CZ-CG2 3.72Å; I429-V459 HydrophobicContact CD1-CG1 4.02Å; L454-V459 HydrophobicContact CB-CB 4.47Å; L454-V459 HydrophobicContact CD2-CB 3.93Å; L454-V459 HydrophobicContact CD2-CG1 3.95Å; L454-V459 HydrophobicContact CD2-CG2 3.9Å; L454-V459 WeakPolarHBondContact O-CB 3.48Å; L454-V459 PolarHBondContact O-N 2.91Å; A457-V459 HydrophobicContact CB-CG2 4.12Å; V459-I461 HydrophobicContact CB-CG2 4.25Å; V459-I461 HydrophobicContact CG1-CG2 3.86Å; V459-I461 PolarHBondContact O-N 2.9Å; V459-P548 VanDerWaalsContact O-CB 3.3Å; V459-P548 WeakPolarHBondContact O-CB 3.43Å; V459-P548 WeakPolarHBondContact O-CG 3.41Å
460P96.2Very high98Very high63 Ų6314 Ų1441%0.4098%0.079SC..  trans-77.866.3-177.932.4-34.6000110.6P420 F425 G458P420-P460 HydrophobicContact CB-CG 4.22Å; P420-P460 HydrophobicContact CG-CG 3.95Å; F425-P460 HydrophobicContact CB-CG 4.25Å; F425-P460 HydrophobicContact CD2-CG 3.85Å; F425-P460 HydrophobicContact CG-CG 4.27Å; G458-P460 WeakPolarHBondContact O-CD 3.26Å
461I98Very high97.9Very high16 Ų1614.1 Ų14.18%0.0828%0.08CC..  trans-62.5143.2178.160.4174.6000110.7I418 T451 L454 M455 V459 A463 P548I418-I461 HydrophobicContact CD1-CB 3.99Å; I418-I461 HydrophobicContact CD1-CG2 3.76Å; I418-I461 CarbonylContact O-C 3.56Å; I418-I461 VanDerWaalsContact O-CA 3.23Å; I418-I461 WeakPolarHBondContact O-CA 3.49Å; I418-I461 WeakPolarHBondContact O-CB 3.45Å; T451-I461 HydrophobicContact CG2-CD1 4.33Å; L454-I461 HydrophobicContact CB-CD1 4.43Å; L454-I461 HydrophobicContact CB-CG2 3.97Å; L454-I461 HydrophobicContact CD1-CG2 4.19Å; L454-I461 HydrophobicContact CD2-CG2 4.13Å; L454-I461 HydrophobicContact CG-CG2 4.33Å; M455-I461 HydrophobicContact CG-CD1 3.73Å; M455-I461 HydrophobicContact CG-CG1 4.44Å; M455-I461 HydrophobicContact SD-CD1 4.41Å; V459-I461 HydrophobicContact CB-CG2 4.25Å; V459-I461 HydrophobicContact CG1-CG2 3.86Å; V459-I461 PolarHBondContact O-N 2.9Å; I461-A463 VanDerWaalsContact C-N 3.28Å; I461-A463 PolarHBondContact O-N 3.05Å; I461-P548 HydrophobicContact CG1-CG 4.13Å
462K97Very high97.8Very high135 Ų13514.1 Ų14.159%0.5878%0.08SC*.SBendtrans-56.6-43.3179.7-175.7-172.3-179.2-167.60112E195 I418E195-K462 VanDerWaalsContact OE2-CE 3.23Å; E195-K462 WeakPolarHBondContact OE2-CE 3.32Å; E195-K462 IonicContact OE2-NZ 2.7Å; E195-K462 PolarHBondContact OE2-NZ 3.49Å; I418-K462 HydrophobicContact CB-CB 4.32Å; I418-K462 HydrophobicContact CG2-CB 4.47Å; I418-K462 PolarHBondContact O-N 3.43Å
463A97.6Very high97.7Very high20 Ų2014.2 Ų14.217%0.1658%0.08CC..SBendtrans-159.6152.8178.600000110.3I461 T502I461-A463 VanDerWaalsContact C-N 3.28Å; I461-A463 PolarHBondContact O-N 3.05Å; A463-T502 HydrophobicContact CB-CG2 3.75Å
464P98.3Very high97.3Very high32 Ų3215.9 Ų15.921%0.2089%0.09CC..  trans-69.5150.7171.832.7-37.7000110.9T451 M455 T502 M538 L542T451-P464 HydrophobicContact CG2-CB 3.69Å; M455-P464 HydrophobicContact SD-CB 4.17Å; P464-T502 WeakPolarHBondContact O-CA 3.46Å; P464-M538 HydrophobicContact CB-CE 4.38Å; P464-M538 HydrophobicContact CB-SD 3.57Å; P464-M538 VanDerWaalsContact CB-SD 3.57Å; P464-M538 HydrophobicContact CG-CE 4.32Å; P464-M538 HydrophobicContact CG-SD 3.56Å; P464-M538 VanDerWaalsContact CG-SD 3.56Å; P464-M538 WeakPolarHBondContact O-CE 3.31Å; P464-L542 HydrophobicContact CG-CD2 4.2Å
465V98.7Very high97Very high0 Ų018.5 Ų18.50%010%0.1CC..  trans-121.2135.2-179.9175.10000109.3L415 I418 I447 T451 A500 T502 T507L415-V465 HydrophobicContact CD2-CB 3.78Å; L415-V465 HydrophobicContact CD2-CG1 4.23Å; L415-V465 HydrophobicContact CD2-CG2 4.08Å; I418-V465 HydrophobicContact CG1-CG2 3.74Å; I418-V465 HydrophobicContact CG2-CG2 3.97Å; I447-V465 HydrophobicContact CG2-CB 4.47Å; I447-V465 HydrophobicContact CG2-CG1 3.71Å; T451-V465 WeakPolarHBondContact CB-O 3.38Å; T451-V465 PolarHBondContact OG1-O 2.87Å; V465-A500 HydrophobicContact CG1-CB 4.17Å; V465-T502 HydrophobicContact CG2-CG2 3.81Å; V465-T507 HydrophobicContact CG2-CG2 4.29Å
466A98.7Very high96.3Very high0 Ų027.6 Ų27.60%014%0.142CC..EExtended strand (participates in β ladder)trans-117.7143.1172.700000109.6A500 G501 R534 I537 M538 M541A466-A500 VanDerWaalsContact O-CA 3.28Å; A466-A500 WeakPolarHBondContact O-CA 3.37Å; A466-G501 PolarHBondContact N-O 3.26Å; A466-G501 PolarHBondContact O-N 3.27Å; A466-R534 HydrophobicContact CB-CB 4.31Å; A466-R534 WeakPolarHBondContact CB-O 3.36Å; A466-R534 VanDerWaalsContact O-CD 3.28Å; A466-R534 WeakPolarHBondContact O-CD 3.41Å; A466-I537 HydrophobicContact CB-CB 4.33Å; A466-I537 HydrophobicContact CB-CG2 4.07Å; A466-M538 HydrophobicContact CB-CB 4.21Å; A466-M538 HydrophobicContact CB-CE 3.72Å; A466-M538 HydrophobicContact CB-SD 4.3Å; A466-M538 VanDerWaalsContact N-CE 3.34Å; A466-M541 HydrophobicContact CB-CE 3.65Å
467G98.4Very high95.4Very high0 Ų035.1 Ų35.10%018%0.183CC..EExtended strand (participates in β ladder)trans-115.3143176.600000112.4R349 C448 V499R349-G467 PolarHBondContact NH1-O 2.67Å; R349-G467 VanDerWaalsContact NH1-O 3.13Å; C448-G467 PolarHBondContact SG-N 3.06Å; C448-G467 VanDerWaalsContact SG-N 3.42Å; G467-V499 WeakPolarHBondContact CA-O 3.42Å
468I98.4Very high94.8Very high0 Ų037.1 Ų37.10%020%0.197CC..EExtended strand (participates in β ladder)trans-141.6149.4172.8-160.6166.6000110.7I328 M470 T483 D484 K498 V499 A530 R534 I537I328-I468 HydrophobicContact CD1-CD1 4.39Å; I468-M470 HydrophobicContact CD1-SD 4.23Å; I468-M470 HydrophobicContact CG1-SD 4.2Å; I468-M470 HydrophobicContact CG2-SD 3.9Å; I468-T483 HydrophobicContact CD1-CG2 3.5Å; I468-D484 HydrophobicContact CD1-CB 4.41Å; I468-D484 HydrophobicContact CG1-CB 4.42Å; I468-K498 WeakPolarHBondContact O-CA 3.45Å; I468-V499 PolarHBondContact N-O 3.13Å; I468-V499 PolarHBondContact O-N 3.36Å; I468-A530 HydrophobicContact CG2-CB 3.98Å; I468-R534 HydrophobicContact CB-CG 4.26Å; I468-R534 HydrophobicContact CG2-CG 3.75Å; I468-I537 HydrophobicContact CB-CD1 4.11Å; I468-I537 HydrophobicContact CD1-CD1 3.87Å; I468-I537 HydrophobicContact CG1-CD1 4.05Å
469A97.9Very high94.7Very high0 Ų040.6 Ų40.60%021%0.208CC..EExtended strand (participates in β ladder)trans-110.9130.3170.800000109.2S441 Q444 D484 I485 K498S441-A469 WeakPolarHBondContact OG-CB 3.49Å; S441-A469 PolarHBondContact OG-N 2.79Å; Q444-A469 HydrophobicContact CG-CB 4.19Å; A469-D484 VanDerWaalsContact O-CA 3.29Å; A469-D484 WeakPolarHBondContact O-CA 3.35Å; A469-D484 PolarHBondContact O-N 3.15Å; A469-I485 HydrophobicContact CB-CD1 4.05Å; A469-I485 HydrophobicContact CB-CG1 3.81Å; A469-I485 PolarHBondContact O-N 3.17Å; A469-K498 HydrophobicContact CB-CG 4.23Å
470M98Very high94.6Very high0 Ų041 Ų410%021%0.21CC..EExtended strand (participates in β ladder)trans-103.7148.8177-46.6-57-6800109.7I468 I481 L482 T483 M495 F497 Q529 A530I468-M470 HydrophobicContact CD1-SD 4.23Å; I468-M470 HydrophobicContact CG1-SD 4.2Å; I468-M470 HydrophobicContact CG2-SD 3.9Å; M470-I481 HydrophobicContact CE-CG2 4.26Å; M470-L482 CarbonylContact C-O 3.55Å; M470-L482 WeakPolarHBondContact CA-O 3.39Å; M470-T483 HydrophobicContact CE-CG2 4.33Å; M470-T483 WeakPolarHBondContact CE-OG1 3.42Å; M470-T483 HydrophobicContact SD-CG2 4.45Å; M470-M495 HydrophobicContact CB-CE 4.43Å; M470-F497 HydrophobicContact CB-CB 4.21Å; M470-F497 PolarHBondContact N-O 2.81Å; M470-F497 PolarHBondContact O-N 3.26Å; M470-Q529 HydrophobicContact CE-CB 3.73Å; M470-Q529 HydrophobicContact CE-CG 3.66Å; M470-A530 HydrophobicContact CG-CB 3.7Å; M470-A530 HydrophobicContact SD-CB 3.84Å
471G96.8Very high94.7Very high2 Ų238.2 Ų38.22%0.02119%0.191CC..EExtended strand (participates in β ladder)trans-119.1166.9175.900000112.5I481 L482 M495G471-I481 CarbonylContact O-C 3.59Å; G471-I481 VanDerWaalsContact O-CA 3.29Å; G471-I481 WeakPolarHBondContact O-CA 3.37Å; G471-I481 WeakPolarHBondContact O-CG2 3.29Å; G471-L482 PolarHBondContact N-O 2.96Å; G471-L482 PolarHBondContact O-N 3.07Å; G471-M495 WeakPolarHBondContact CA-O 3.38Å
472L96.4Very high94.7Very high1 Ų137.5 Ų37.51%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-134.8138.9168.9-17568.8000108.7T474 Y479 T480 I481 D494 M495 I515 L518 I522L472-T474 HydrophobicContact CD1-CG2 4.27Å; L472-T474 HydrophobicContact CD2-CG2 3.63Å; L472-T474 HydrophobicContact CG-CG2 3.75Å; L472-Y479 HydrophobicContact CD1-CD2 3.81Å; L472-Y479 HydrophobicContact CD1-CG 4.25Å; L472-T480 WeakPolarHBondContact CA-O 3.21Å; L472-I481 HydrophobicContact CD1-CG1 3.85Å; L472-D494 PolarHBondContact O-N 2.93Å; L472-M495 HydrophobicContact CB-CB 3.52Å; L472-M495 HydrophobicContact CB-CE 3.92Å; L472-M495 HydrophobicContact CB-CG 4.49Å; L472-M495 HydrophobicContact CB-SD 4.35Å; L472-I515 HydrophobicContact CD2-CD1 4.23Å; L472-L518 HydrophobicContact CD2-CD2 3.38Å; L472-I522 HydrophobicContact CD1-CG2 4Å; L472-I522 HydrophobicContact CD2-CD1 4.5Å; L472-I522 HydrophobicContact CD2-CG2 4Å
473V95.7Very high94.7Very high1 Ų131.2 Ų31.21%0.00616%0.161CC..EExtended strand (participates in β ladder)trans-125.2124.1161.9176.90000107.7R310 I313 A314 Y479 T480 L482 D494R310-V473 HydrophobicContact CB-CG1 3.86Å; R310-V473 HydrophobicContact CG-CG1 3.93Å; I313-V473 HydrophobicContact CB-CB 4.45Å; I313-V473 HydrophobicContact CB-CG2 4.28Å; I313-V473 HydrophobicContact CD1-CG2 4.16Å; I313-V473 HydrophobicContact CG2-CB 3.81Å; I313-V473 HydrophobicContact CG2-CG1 4.35Å; I313-V473 HydrophobicContact CG2-CG2 3.72Å; A314-V473 HydrophobicContact CB-CG1 4.16Å; V473-Y479 CarbonylContact O-C 3.57Å; V473-Y479 WeakPolarHBondContact O-CA 3.24Å; V473-T480 PolarHBondContact N-O 3.2Å; V473-T480 PolarHBondContact O-N 3.33Å; V473-L482 HydrophobicContact CG2-CD1 4.21Å; V473-D494 WeakPolarHBondContact CA-OD2 3.44Å
474T92.1Very high94.7Very high35 Ų3530.2 Ų30.222%0.21515%0.153CC..EExtended strand (participates in β ladder)trans-110.5137.2175.562.80000110.8R310 L472 S478 D494 I515R310-T474 PolarHBondContact NH2-O 3.45Å; L472-T474 HydrophobicContact CD1-CG2 4.27Å; L472-T474 HydrophobicContact CD2-CG2 3.63Å; L472-T474 HydrophobicContact CG-CG2 3.75Å; T474-S478 WeakPolarHBondContact CA-O 3.47Å; T474-D494 PolarHBondContact N-OD2 3.04Å; T474-D494 PolarHBondContact OG1-OD2 2.95Å; T474-I515 HydrophobicContact CG2-CD1 4.3Å
475R91Very high94.5Very high56 Ų5628.8 Ų28.821%0.21114%0.143CC..EExtended strand (participates in β ladder)trans-141.6116.8169.9-68.8-166.979.5-152.611.3108.8E307 R310 R311 A314 D315 D477 S478E307-R475 IonicContact OE1-NH2 2.72Å; E307-R475 PolarHBondContact OE1-NH2 2.73Å; R310-R475 HydrophobicContact CB-CG 4.4Å; R311-R475 VanDerWaalsContact CB-NH1 3.33Å; R311-R475 VanDerWaalsContact CG-NH1 3.28Å; A314-R475 HydrophobicContact CB-CB 3.97Å; A314-R475 HydrophobicContact CB-CG 3.74Å; D315-R475 IonicContact OD1-NH1 2.68Å; D315-R475 PolarHBondContact OD1-NH1 2.77Å; D315-R475 IonicContact OD2-NH1 2.93Å; D315-R475 PolarHBondContact OD2-NH1 2.8Å; R475-D477 PolarHBondContact O-N 2.93Å; R475-D477 VanDerWaalsContact O-N 3.14Å; R475-S478 PolarHBondContact N-O 3.43Å; R475-S478 WeakPolarHBondContact O-CA 3.07Å; R475-S478 PolarHBondContact O-N 2.87Å; R475-S478 VanDerWaalsContact O-O 3.14Å; R475-S478 PolarHBondContact O-OG 3.38Å
476E83.8Confident94.3Very high196 Ų19629 Ų2992%0.91614%0.144SC*.THydrogen-bonded Turntrans50.2-118.1-177.4-56.7-179.4172.400110.3
477D79.9Confident94Very high171 Ų17130.1 Ų30.191%0.91416%0.156SC*.THydrogen-bonded Turntrans-90.52.7-179.7-61.2-36.3000113.7R475R475-D477 PolarHBondContact O-N 2.93Å; R475-D477 VanDerWaalsContact O-N 3.14Å
478S85.7Confident93.7Very high42 Ų4231.4 Ų31.429%0.29416%0.162SC..EExtended strand (participates in β ladder)trans-109.6147.7-177.9760000112.2T474 R475T474-S478 WeakPolarHBondContact CA-O 3.47Å; R475-S478 PolarHBondContact N-O 3.43Å; R475-S478 WeakPolarHBondContact O-CA 3.07Å; R475-S478 PolarHBondContact O-N 2.87Å; R475-S478 VanDerWaalsContact O-O 3.14Å; R475-S478 PolarHBondContact O-OG 3.38Å
479Y92.7Very high93.5Very high83 Ų8331.5 Ų31.533%0.32516%0.163SC..EExtended strand (participates in β ladder)trans-143.4161.7169.468-89.6000112.1K317 L472 V473 I481 I522 E525K317-Y479 PolarHBondContact NZ-O 2.71Å; L472-Y479 HydrophobicContact CD1-CD2 3.81Å; L472-Y479 HydrophobicContact CD1-CG 4.25Å; V473-Y479 CarbonylContact O-C 3.57Å; V473-Y479 WeakPolarHBondContact O-CA 3.24Å; Y479-I481 HydrophobicContact CD2-CG1 4.17Å; Y479-I481 HydrophobicContact CE2-CD1 4.19Å; Y479-I481 HydrophobicContact CE2-CG1 4.19Å; Y479-I522 HydrophobicContact CD1-CD1 4.49Å; Y479-I522 HydrophobicContact CD2-CG1 4.43Å; Y479-I522 HydrophobicContact CE1-CG1 4.24Å; Y479-I522 HydrophobicContact CE2-CG1 4.07Å; Y479-E525 PolarHBondContact OH-OE2 2.76Å
480T96.4Very high93.3Very high7 Ų733 Ų334%0.04317%0.171CC..EExtended strand (participates in β ladder)trans-135.8125.3171.6-57.60000109.3I313 A314 K317 P325 L472 V473 L482I313-T480 HydrophobicContact CG2-CG2 4.13Å; I313-T480 PolarHBondContact O-OG1 3.24Å; A314-T480 WeakPolarHBondContact CA-OG1 3.25Å; K317-T480 HydrophobicContact CD-CG2 4.22Å; K317-T480 VanDerWaalsContact CD-OG1 3.26Å; K317-T480 WeakPolarHBondContact CD-OG1 3.48Å; K317-T480 PolarHBondContact NZ-OG1 3.12Å; P325-T480 HydrophobicContact CB-CG2 3.6Å; P325-T480 HydrophobicContact CG-CG2 3.66Å; L472-T480 WeakPolarHBondContact CA-O 3.21Å; V473-T480 PolarHBondContact N-O 3.2Å; V473-T480 PolarHBondContact O-N 3.33Å; T480-L482 HydrophobicContact CG2-CD2 3.73Å
481I97.1Very high92.9Very high5 Ų535.9 Ų35.93%0.02619%0.194CC..EExtended strand (participates in β ladder)trans-88.1133.2168.3-57.4171.6000108.9M470 G471 L472 Y479 I522 E525 A526 Q529M470-I481 HydrophobicContact CE-CG2 4.26Å; G471-I481 CarbonylContact O-C 3.59Å; G471-I481 VanDerWaalsContact O-CA 3.29Å; G471-I481 WeakPolarHBondContact O-CA 3.37Å; G471-I481 WeakPolarHBondContact O-CG2 3.29Å; L472-I481 HydrophobicContact CD1-CG1 3.85Å; Y479-I481 HydrophobicContact CD2-CG1 4.17Å; Y479-I481 HydrophobicContact CE2-CD1 4.19Å; Y479-I481 HydrophobicContact CE2-CG1 4.19Å; I481-I522 HydrophobicContact CD1-CG2 4.35Å; I481-E525 HydrophobicContact CD1-CB 3.61Å; I481-E525 HydrophobicContact CD1-CG 3.64Å; I481-A526 HydrophobicContact CD1-CB 4.1Å; I481-A526 HydrophobicContact CG2-CB 4.16Å; I481-Q529 VanDerWaalsContact CB-OE1 3.29Å
482L97.5Very high92.7Very high1 Ų137.4 Ų37.41%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-110.1124.3-174.6-57.7177.6000110.3I313 R319 P325 M470 G471 V473 T480 I485 E489I313-L482 HydrophobicContact CD1-CD1 4.28Å; I313-L482 HydrophobicContact CG2-CD1 4.13Å; I313-L482 HydrophobicContact CG2-CD2 3.76Å; I313-L482 HydrophobicContact CG2-CG 4.32Å; R319-L482 HydrophobicContact CG-CD2 4.22Å; P325-L482 HydrophobicContact CB-CD2 4.28Å; P325-L482 CarbonylContact O-C 3.57Å; P325-L482 WeakPolarHBondContact O-CA 3.36Å; M470-L482 CarbonylContact C-O 3.55Å; M470-L482 WeakPolarHBondContact CA-O 3.39Å; G471-L482 PolarHBondContact N-O 2.96Å; G471-L482 PolarHBondContact O-N 3.07Å; V473-L482 HydrophobicContact CG2-CD1 4.21Å; T480-L482 HydrophobicContact CG2-CD2 3.73Å; L482-I485 HydrophobicContact CB-CG2 3.8Å; L482-I485 HydrophobicContact CD1-CG2 4.41Å; L482-E489 HydrophobicContact CD1-CB 4.1Å; L482-E489 HydrophobicContact CD1-CG 4.28Å
483T97.6Very high92.6Very high3 Ų337.6 Ų37.62%0.01820%0.204CC..EExtended strand (participates in β ladder)trans-83133.5169.8-60.40000109.9R319 R323 P325 I328 I468 M470 Q529R319-T483 PolarHBondContact NH1-O 2.78Å; R319-T483 PolarHBondContact NH2-O 2.89Å; R323-T483 PolarHBondContact NH1-O 2.77Å; P325-T483 PolarHBondContact O-N 3.28Å; I328-T483 HydrophobicContact CG1-CG2 3.86Å; I468-T483 HydrophobicContact CD1-CG2 3.5Å; M470-T483 HydrophobicContact CE-CG2 4.33Å; M470-T483 WeakPolarHBondContact CE-OG1 3.42Å; M470-T483 HydrophobicContact SD-CG2 4.45Å; T483-Q529 VanDerWaalsContact OG1-CG 3.25Å; T483-Q529 WeakPolarHBondContact OG1-CG 3.23Å; T483-Q529 PolarHBondContact OG1-NE2 3.41Å
484D97.2Very high92.5Very high0 Ų037.9 Ų37.90%021%0.205CC..SBendtrans54.871.7176.8178.337.3000112.4R319 R323 I328 R329 R349 I468 A469R319-D484 PolarHBondContact NH2-O 2.78Å; R323-D484 PolarHBondContact NH1-O 2.83Å; R323-D484 VanDerWaalsContact NH1-O 3.1Å; R323-D484 IonicContact NH1-OD2 3.15Å; R323-D484 PolarHBondContact NH1-OD2 3.49Å; R323-D484 PolarHBondContact NH2-O 3.44Å; R323-D484 VanDerWaalsContact NH2-O 3.11Å; I328-D484 HydrophobicContact CG2-CB 4.2Å; R329-D484 WeakPolarHBondContact CB-OD2 3.41Å; R329-D484 WeakPolarHBondContact CG-OD2 3.41Å; R329-D484 IonicContact CZ-OD1 3.68Å; R329-D484 IonicContact CZ-OD2 2.73Å; R329-D484 PolarHBondContact N-OD2 3.45Å; R329-D484 IonicContact NE-OD1 3.31Å; R329-D484 PolarHBondContact NE-OD1 3.27Å; R329-D484 IonicContact NE-OD2 3.43Å; R329-D484 PolarHBondContact NE-OD2 3.1Å; R329-D484 IonicContact NH2-OD1 2.78Å; R329-D484 PolarHBondContact NH2-OD1 2.97Å; R329-D484 IonicContact NH2-OD2 2.75Å; R349-D484 VanDerWaalsContact CD-CG 3.41Å; R349-D484 VanDerWaalsContact CD-OD1 3.28Å; R349-D484 WeakPolarHBondContact CD-OD1 3.22Å; R349-D484 WeakPolarHBondContact CD-OD2 3.32Å; R349-D484 WeakPolarHBondContact CG-OD2 3.49Å; R349-D484 IonicContact CZ-OD1 3.38Å; R349-D484 IonicContact NE-OD1 3.4Å; R349-D484 PolarHBondContact NE-OD1 3.27Å; R349-D484 IonicContact NE-OD2 2.78Å; R349-D484 IonicContact NH2-OD1 3.36Å; I468-D484 HydrophobicContact CD1-CB 4.41Å; I468-D484 HydrophobicContact CG1-CB 4.42Å; A469-D484 VanDerWaalsContact O-CA 3.29Å; A469-D484 WeakPolarHBondContact O-CA 3.35Å; A469-D484 PolarHBondContact O-N 3.15Å
485I95.5Very high92.6Very high1 Ų136.4 Ų36.41%0.00520%0.196CC..  trans-65.3140.2-178.456.8179.9000113.7R329 A469 L482 E489 D490 D496R329-I485 PolarHBondContact NH2-O 3Å; A469-I485 HydrophobicContact CB-CD1 4.05Å; A469-I485 HydrophobicContact CB-CG1 3.81Å; A469-I485 PolarHBondContact O-N 3.17Å; L482-I485 HydrophobicContact CB-CG2 3.8Å; L482-I485 HydrophobicContact CD1-CG2 4.41Å; I485-E489 WeakPolarHBondContact CA-OE2 3.44Å; I485-E489 HydrophobicContact CB-CB 4.38Å; I485-D490 HydrophobicContact CD1-CB 4Å; I485-D496 HydrophobicContact CD1-CB 4.25Å
486Q93.8Very high92.7Very high4 Ų434.5 Ų34.52%0.01919%0.19CC..  trans-80.1164.8167.6-60.7-160.9-28.200111.5D321 N439 M488 E489 D490D321-Q486 VanDerWaalsContact CG-NE2 3.29Å; D321-Q486 PolarHBondContact OD2-NE2 2.78Å; N439-Q486 VanDerWaalsContact O-CA 3.32Å; N439-Q486 WeakPolarHBondContact O-CA 3.43Å; Q486-M488 VanDerWaalsContact C-N 3.3Å; Q486-M488 PolarHBondContact O-N 3.5Å; Q486-E489 HydrophobicContact CB-CG 4.2Å; Q486-E489 PolarHBondContact N-OE2 3.15Å; Q486-E489 PolarHBondContact O-N 2.83Å; Q486-E489 VanDerWaalsContact O-N 3.15Å; Q486-D490 PolarHBondContact O-N 2.96Å
487G92.2Very high93.3Very high24 Ų2425.2 Ų25.225%0.24715%0.146CC..Hα-helixtrans-60.5-37.4178.200000113.4N439 A491N439-G487 PolarHBondContact O-N 2.75Å; N439-G487 PolarHBondContact OD1-N 3.17Å; G487-A491 VanDerWaalsContact O-CB 3.31Å; G487-A491 WeakPolarHBondContact O-CB 3.34Å; G487-A491 PolarHBondContact O-N 3.32Å
488M92.1Very high94.2Very high27 Ų2717.4 Ų17.413%0.13311%0.105CC..Hα-helixtrans-66.9-38.9175.9-179.2176.4-78.400112R267 L271 V309 P320 Q486 A491 L492R267-M488 HydrophobicContact CG-CE 4.22Å; R267-M488 VanDerWaalsContact NE-CE 3.35Å; L271-M488 HydrophobicContact CD1-CE 3.79Å; V309-M488 HydrophobicContact CG2-SD 4.04Å; P320-M488 HydrophobicContact CB-SD 4.29Å; P320-M488 HydrophobicContact CG-SD 4.14Å; Q486-M488 VanDerWaalsContact C-N 3.3Å; Q486-M488 PolarHBondContact O-N 3.5Å; M488-A491 PolarHBondContact O-N 3.38Å; M488-L492 HydrophobicContact CG-CD1 3.68Å; M488-L492 HydrophobicContact CG-CG 4.37Å; M488-L492 WeakPolarHBondContact O-CB 3.45Å; M488-L492 VanDerWaalsContact O-CG 3.29Å; M488-L492 WeakPolarHBondContact O-CG 3.38Å; M488-L492 PolarHBondContact O-N 2.91Å
489E94.5Very high94.8Very high3 Ų315.4 Ų15.41%0.0149%0.091CC..Hα-helixtrans-73.1-37.1-179.7-61.8168.1151.400111.6I313 R319 L482 I485 Q486 G493I313-E489 HydrophobicContact CD1-CG 4.2Å; R319-E489 IonicContact CZ-OE1 3.95Å; R319-E489 IonicContact CZ-OE2 2.67Å; R319-E489 IonicContact NE-OE1 3.32Å; R319-E489 PolarHBondContact NE-OE1 2.77Å; R319-E489 IonicContact NE-OE2 2.76Å; R319-E489 IonicContact NH2-OE1 2.76Å; R319-E489 PolarHBondContact NH2-OE1 2.78Å; R319-E489 IonicContact NH2-OE2 2.69Å; R319-E489 PolarHBondContact NH2-OE2 3.05Å; L482-E489 HydrophobicContact CD1-CB 4.1Å; L482-E489 HydrophobicContact CD1-CG 4.28Å; I485-E489 WeakPolarHBondContact CA-OE2 3.44Å; I485-E489 HydrophobicContact CB-CB 4.38Å; Q486-E489 HydrophobicContact CB-CG 4.2Å; Q486-E489 PolarHBondContact N-OE2 3.15Å; Q486-E489 PolarHBondContact O-N 2.83Å; Q486-E489 VanDerWaalsContact O-N 3.15Å; E489-G493 WeakPolarHBondContact O-CA 3.33Å; E489-G493 PolarHBondContact O-N 2.7Å
490D93.7Very high95.1Very high32 Ų3211.5 Ų11.517%0.1718%0.075CC..Hα-helixtrans-58.3-54.3167.2173.111000109.7I485 Q486 L492 K514I485-D490 HydrophobicContact CD1-CB 4Å; Q486-D490 PolarHBondContact O-N 2.96Å; D490-L492 PolarHBondContact O-N 3.17Å; D490-K514 PolarHBondContact O-NZ 2.67Å
491A90.2Very high95.2Very high59 Ų5911.2 Ų11.249%0.4887%0.073SC..Hα-helixtrans-58.5-42.7-176.500000113.4G487 M488 K514G487-A491 VanDerWaalsContact O-CB 3.31Å; G487-A491 WeakPolarHBondContact O-CB 3.34Å; G487-A491 PolarHBondContact O-N 3.32Å; M488-A491 PolarHBondContact O-N 3.38Å; A491-K514 PolarHBondContact O-NZ 3.43Å
492L91.9Very high95.3Very high35 Ų3511 Ų1118%0.1837%0.073CC..Hα-helixtrans-100.7-13.6-171.9-56.3179000114.3K306 V309 R310 M488 D490K306-L492 HydrophobicContact CB-CD2 3.99Å; K306-L492 HydrophobicContact CD-CD2 4.34Å; K306-L492 HydrophobicContact CG-CB 4.37Å; K306-L492 HydrophobicContact CG-CD2 3.98Å; V309-L492 HydrophobicContact CB-CD1 3.98Å; V309-L492 HydrophobicContact CG1-CD1 4.02Å; V309-L492 HydrophobicContact CG2-CD1 3.86Å; R310-L492 PolarHBondContact NH1-O 3.26Å; M488-L492 HydrophobicContact CG-CD1 3.68Å; M488-L492 HydrophobicContact CG-CG 4.37Å; M488-L492 WeakPolarHBondContact O-CB 3.45Å; M488-L492 VanDerWaalsContact O-CG 3.29Å; M488-L492 WeakPolarHBondContact O-CG 3.38Å; M488-L492 PolarHBondContact O-N 2.91Å; D490-L492 PolarHBondContact O-N 3.17Å
493G93.5Very high95.3Very high4 Ų418.7 Ų18.74%0.04111%0.106CC..SBendtrans-81.1-176.717700000113.5E489 K514E489-G493 WeakPolarHBondContact O-CA 3.33Å; E489-G493 PolarHBondContact O-N 2.7Å; G493-K514 WeakPolarHBondContact O-CD 3.46Å
494D93.5Very high95.2Very high8 Ų824.6 Ų24.64%0.04313%0.133CC..SBendtrans-108.6-13.6-169.9-59.2-51.1000113.4R310 L472 V473 T474 I513 K514 I515R310-D494 IonicContact CZ-OD1 2.72Å; R310-D494 IonicContact CZ-OD2 2.79Å; R310-D494 VanDerWaalsContact NH1-CG 3.3Å; R310-D494 IonicContact NH1-OD1 3.92Å; R310-D494 PolarHBondContact NH1-OD1 3.38Å; R310-D494 IonicContact NH1-OD2 3.82Å; R310-D494 PolarHBondContact NH1-OD2 2.94Å; R310-D494 VanDerWaalsContact NH1-OD2 3.15Å; R310-D494 VanDerWaalsContact NH2-CG 3.33Å; R310-D494 IonicContact NH2-OD1 3.34Å; R310-D494 PolarHBondContact NH2-OD1 2.97Å; R310-D494 IonicContact NH2-OD2 3.44Å; R310-D494 PolarHBondContact NH2-OD2 2.93Å; L472-D494 PolarHBondContact O-N 2.93Å; V473-D494 WeakPolarHBondContact CA-OD2 3.44Å; T474-D494 PolarHBondContact N-OD2 3.04Å; T474-D494 PolarHBondContact OG1-OD2 2.95Å; D494-I513 CarbonylContact O-C 3.59Å; D494-I513 WeakPolarHBondContact O-CA 3.43Å; D494-I513 WeakPolarHBondContact O-CB 3.26Å; D494-K514 PolarHBondContact O-N 2.76Å; D494-I515 HydrophobicContact CB-CD1 4.05Å; D494-I515 HydrophobicContact CB-CG1 4.17Å; D494-I515 HydrophobicContact CB-CG2 3.75Å; D494-I515 WeakPolarHBondContact OD1-CG2 3.15Å
495M94.4Very high95.2Very high4 Ų424.7 Ų24.72%0.0213%0.134CC..EExtended strand (participates in β ladder)trans-147.3138.7-176.8179.8179.577.600110.5M470 G471 L472 F497 M511 I513 L518 A526M470-M495 HydrophobicContact CB-CE 4.43Å; G471-M495 WeakPolarHBondContact CA-O 3.38Å; L472-M495 HydrophobicContact CB-CB 3.52Å; L472-M495 HydrophobicContact CB-CE 3.92Å; L472-M495 HydrophobicContact CB-CG 4.49Å; L472-M495 HydrophobicContact CB-SD 4.35Å; M495-F497 HydrophobicContact CE-CB 3.81Å; M495-F497 HydrophobicContact CE-CD1 4.24Å; M495-F497 HydrophobicContact CG-CB 3.83Å; M495-F497 HydrophobicContact SD-CB 3.8Å; M495-F497 HydrophobicContact SD-CD1 4.23Å; M495-F497 HydrophobicContact SD-CG 4.41Å; M495-M511 HydrophobicContact CG-CG 4.14Å; M495-M511 HydrophobicContact CG-SD 4.49Å; M495-M511 HydrophobicContact SD-CG 4.39Å; M495-M511 HydrophobicContact SD-SD 4.02Å; M495-I513 HydrophobicContact CB-CG2 4.17Å; M495-I513 HydrophobicContact CG-CG2 4.05Å; M495-L518 HydrophobicContact CG-CD1 4.22Å; M495-L518 HydrophobicContact SD-CD1 3.35Å; M495-L518 WeakPolarHBondContact SD-CD1 3.49Å; M495-A526 HydrophobicContact CE-CB 4.1Å
496D94.2Very high95.4Very high15 Ų1524.6 Ų24.68%0.0813%0.134CC..EExtended strand (participates in β ladder)trans-119.798.91621747.8000107.6I485 K498 M511 D512I485-D496 HydrophobicContact CD1-CB 4.25Å; D496-K498 WeakPolarHBondContact OD1-CG 3.19Å; D496-K498 IonicContact OD1-NZ 3.8Å; D496-K498 PolarHBondContact OD1-NZ 2.91Å; D496-K498 VanDerWaalsContact OD2-CE 3.31Å; D496-K498 WeakPolarHBondContact OD2-CE 3.05Å; D496-K498 IonicContact OD2-NZ 2.78Å; D496-K498 PolarHBondContact OD2-NZ 2.85Å; D496-M511 WeakPolarHBondContact O-CA 3.45Å; D496-D512 PolarHBondContact N-O 3.15Å; D496-D512 PolarHBondContact O-N 3.13Å
497F96.8Very high95.6Very high1 Ų124.4 Ų24.40%0.00413%0.133CC..EExtended strand (participates in β ladder)trans-110.497.4-176.4-173.1-166.6000111M470 M495 V499 I509 M511 A526 L527M470-F497 HydrophobicContact CB-CB 4.21Å; M470-F497 PolarHBondContact N-O 2.81Å; M470-F497 PolarHBondContact O-N 3.26Å; M495-F497 HydrophobicContact CE-CB 3.81Å; M495-F497 HydrophobicContact CE-CD1 4.24Å; M495-F497 HydrophobicContact CG-CB 3.83Å; M495-F497 HydrophobicContact SD-CB 3.8Å; M495-F497 HydrophobicContact SD-CD1 4.23Å; M495-F497 HydrophobicContact SD-CG 4.41Å; F497-V499 HydrophobicContact CD1-CG2 4.47Å; F497-V499 HydrophobicContact CD2-CG2 3.95Å; F497-V499 HydrophobicContact CE1-CG2 4.38Å; F497-V499 HydrophobicContact CE2-CG2 3.87Å; F497-V499 HydrophobicContact CG-CG2 4.28Å; F497-V499 HydrophobicContact CZ-CG2 4.09Å; F497-I509 HydrophobicContact CE2-CB 4.01Å; F497-I509 HydrophobicContact CE2-CD1 4.38Å; F497-I509 HydrophobicContact CE2-CG2 4.11Å; F497-M511 HydrophobicContact CB-CB 4.45Å; F497-M511 HydrophobicContact CB-CG 3.97Å; F497-M511 HydrophobicContact CB-SD 4.42Å; F497-M511 HydrophobicContact CD1-SD 4.11Å; F497-M511 HydrophobicContact CD2-CB 3.58Å; F497-M511 HydrophobicContact CD2-CG 3.89Å; F497-M511 HydrophobicContact CD2-SD 4.14Å; F497-M511 HydrophobicContact CE1-SD 4.33Å; F497-M511 HydrophobicContact CE2-CB 3.99Å; F497-M511 HydrophobicContact CE2-CG 4.48Å; F497-M511 HydrophobicContact CE2-SD 4.33Å; F497-M511 HydrophobicContact CG-CB 4.17Å; F497-M511 HydrophobicContact CG-CG 3.95Å; F497-M511 HydrophobicContact CG-SD 4Å; F497-M511 HydrophobicContact CZ-SD 4.43Å; F497-A526 HydrophobicContact CD1-CB 3.78Å; F497-A526 HydrophobicContact CE1-CB 4.02Å; F497-L527 HydrophobicContact CE1-CD2 3.97Å; F497-L527 HydrophobicContact CE1-CG 4.02Å; F497-L527 HydrophobicContact CZ-CD2 3.6Å; F497-L527 HydrophobicContact CZ-CG 4.05Å
498K98Very high95.9Very high8 Ų823.3 Ų23.34%0.03512%0.121CC..EExtended strand (participates in β ladder)trans-84128.2178.4-57.1179.1-169.873.90109.8L410 Q444 I468 A469 D496 I509 Q510 D512L410-K498 HydrophobicContact CD2-CB 4.21Å; L410-K498 HydrophobicContact CD2-CD 3.51Å; Q444-K498 HydrophobicContact CG-CB 4.36Å; Q444-K498 HydrophobicContact CG-CG 4.33Å; I468-K498 WeakPolarHBondContact O-CA 3.45Å; A469-K498 HydrophobicContact CB-CG 4.23Å; D496-K498 WeakPolarHBondContact OD1-CG 3.19Å; D496-K498 IonicContact OD1-NZ 3.8Å; D496-K498 PolarHBondContact OD1-NZ 2.91Å; D496-K498 VanDerWaalsContact OD2-CE 3.31Å; D496-K498 WeakPolarHBondContact OD2-CE 3.05Å; D496-K498 IonicContact OD2-NZ 2.78Å; D496-K498 PolarHBondContact OD2-NZ 2.85Å; K498-I509 CarbonylContact O-C 3.52Å; K498-I509 VanDerWaalsContact O-CA 3.25Å; K498-I509 WeakPolarHBondContact O-CA 3.38Å; K498-Q510 HydrophobicContact CB-CB 4.35Å; K498-Q510 WeakPolarHBondContact CB-O 3.34Å; K498-Q510 PolarHBondContact N-O 3.22Å; K498-Q510 PolarHBondContact O-N 2.83Å; K498-D512 IonicContact NZ-OD1 2.82Å
499V98.5Very high96.1Very high0 Ų022.1 Ų22.10%012%0.115CC..EExtended strand (participates in β ladder)trans-132.8124.2179.3-172.60000108.6G467 I468 F497 I506 I509 A530 R534G467-V499 WeakPolarHBondContact CA-O 3.42Å; I468-V499 PolarHBondContact N-O 3.13Å; I468-V499 PolarHBondContact O-N 3.36Å; F497-V499 HydrophobicContact CD1-CG2 4.47Å; F497-V499 HydrophobicContact CD2-CG2 3.95Å; F497-V499 HydrophobicContact CE1-CG2 4.38Å; F497-V499 HydrophobicContact CE2-CG2 3.87Å; F497-V499 HydrophobicContact CG-CG2 4.28Å; F497-V499 HydrophobicContact CZ-CG2 4.09Å; V499-I506 HydrophobicContact CG1-CD1 4.44Å; V499-I506 HydrophobicContact CG1-CG1 4.27Å; V499-I509 HydrophobicContact CB-CG2 4.23Å; V499-I509 HydrophobicContact CG1-CG2 3.9Å; V499-I509 HydrophobicContact CG2-CG2 4.07Å; V499-A530 HydrophobicContact CB-CB 3.84Å; V499-A530 HydrophobicContact CG1-CB 4.13Å; V499-A530 HydrophobicContact CG2-CB 3.71Å; V499-R534 WeakPolarHBondContact O-CD 3.48Å
500A98.7Very high96.2Very high1 Ų122 Ų221%0.00812%0.115CC..EExtended strand (participates in β ladder)trans-120.6145.5173.200000110.3A414 I447 V465 A466 I506 T507 A508A414-A500 HydrophobicContact CB-CB 3.71Å; I447-A500 HydrophobicContact CD1-CB 3.91Å; I447-A500 HydrophobicContact CG2-CB 4.41Å; V465-A500 HydrophobicContact CG1-CB 4.17Å; A466-A500 VanDerWaalsContact O-CA 3.28Å; A466-A500 WeakPolarHBondContact O-CA 3.37Å; A500-I506 WeakPolarHBondContact O-CA 2.96Å; A500-T507 PolarHBondContact O-N 3.38Å; A500-T507 PolarHBondContact O-OG1 3.11Å; A500-A508 HydrophobicContact CB-CB 4.46Å; A500-A508 PolarHBondContact N-O 3.14Å; A500-A508 PolarHBondContact O-N 3.48Å
501G98.5Very high96.2Very high0 Ų020.5 Ų20.50%011%0.107CC..EExtended strand (participates in β ladder)trans-177.2169178.200000114A466 G505A466-G501 PolarHBondContact N-O 3.26Å; A466-G501 PolarHBondContact O-N 3.27Å; G501-G505 CarbonylContact C-O 3.24Å; G501-G505 WeakPolarHBondContact CA-O 3.48Å
502T98.4Very high96Very high2 Ų219.7 Ų19.71%0.0129%0.094CC..  trans-84.8-170.717173.30000109.6E195 I418 A463 P464 V465 E504 G505 T507 R534E195-T502 HydrophobicContact CG-CG2 4.02Å; E195-T502 VanDerWaalsContact OE1-CB 3.28Å; E195-T502 WeakPolarHBondContact OE1-CB 3.35Å; E195-T502 VanDerWaalsContact OE1-CG2 3.27Å; E195-T502 WeakPolarHBondContact OE1-CG2 3.2Å; E195-T502 PolarHBondContact OE1-OG1 3.17Å; I418-T502 HydrophobicContact CG2-CG2 3.86Å; A463-T502 HydrophobicContact CB-CG2 3.75Å; P464-T502 WeakPolarHBondContact O-CA 3.46Å; V465-T502 HydrophobicContact CG2-CG2 3.81Å; T502-E504 VanDerWaalsContact C-N 3.27Å; T502-E504 PolarHBondContact OG1-N 2.81Å; T502-G505 PolarHBondContact N-O 2.98Å; T502-G505 PolarHBondContact OG1-N 3.39Å; T502-T507 HydrophobicContact CG2-CG2 4Å; T502-R534 PolarHBondContact O-NH1 2.96Å
503K97.3Very high95.9Very high161 Ų16118.3 Ų18.370%0.79%0.087SC*.SBendtrans-66.9-30169.1-174.1-175.7174.9-169.80112.7L535K503-L535 HydrophobicContact CB-CD2 4.29Å; K503-L535 HydrophobicContact CG-CD2 4.03Å
504E96.5Very high95.6Very high128 Ų12823 Ų2360%0.59811%0.106SC*.SBendtrans-88-23.5-172.7-57.3-55.913300112.5E195 T502E195-E504 HydrophobicContact CB-CB 4.5Å; T502-E504 VanDerWaalsContact C-N 3.27Å; T502-E504 PolarHBondContact OG1-N 2.81Å
505G97.7Very high95.2Very high1 Ų124.4 Ų24.41%0.0111%0.113CC..  trans174.9-176.4175.600000114.6I196 G501 T502I196-G505 CarbonylContact O-C 3.49Å; I196-G505 WeakPolarHBondContact O-CA 3.22Å; G501-G505 CarbonylContact C-O 3.24Å; G501-G505 WeakPolarHBondContact CA-O 3.48Å; T502-G505 PolarHBondContact N-O 2.98Å; T502-G505 PolarHBondContact OG1-N 3.39Å
506I98.5Very high94.6Very high0 Ų029 Ų290%014%0.138CC..EExtended strand (participates in β ladder)trans-72.3137.2176.7-63.3172.9000109.7A193 E195 I196 E198 M201 V499 A500 I509 L527A193-I506 WeakPolarHBondContact CB-O 3.47Å; E195-I506 WeakPolarHBondContact CA-O 3.49Å; E195-I506 PolarHBondContact N-O 2.78Å; I196-I506 PolarHBondContact N-O 2.8Å; I196-I506 VanDerWaalsContact N-O 3.1Å; I196-I506 WeakPolarHBondContact O-CB 3.27Å; I196-I506 PolarHBondContact O-N 3.16Å; E198-I506 HydrophobicContact CG-CD1 4.16Å; M201-I506 HydrophobicContact CB-CD1 3.93Å; M201-I506 HydrophobicContact CE-CB 4.45Å; M201-I506 HydrophobicContact CE-CG2 3.86Å; M201-I506 HydrophobicContact CG-CD1 4.07Å; V499-I506 HydrophobicContact CG1-CD1 4.44Å; V499-I506 HydrophobicContact CG1-CG1 4.27Å; A500-I506 WeakPolarHBondContact O-CA 2.96Å; I506-I509 HydrophobicContact CD1-CG2 4.43Å; I506-I509 HydrophobicContact CG2-CG2 3.7Å; I506-L527 HydrophobicContact CD1-CD2 3.87Å
507T98.4Very high94.1Very high0 Ų029.2 Ų29.20%014%0.143CC..EExtended strand (participates in β ladder)trans-111.6-27.5171.6590000113.3G192 A193 E195 A414 V465 A500 T502G192-T507 CarbonylContact C-O 3.56Å; G192-T507 WeakPolarHBondContact CA-O 3.48Å; A193-T507 PolarHBondContact N-O 2.84Å; A193-T507 VanDerWaalsContact O-CA 3.27Å; A193-T507 WeakPolarHBondContact O-CA 3.29Å; E195-T507 HydrophobicContact CG-CG2 4.3Å; A414-T507 WeakPolarHBondContact O-CB 3.37Å; A414-T507 PolarHBondContact O-OG1 2.83Å; V465-T507 HydrophobicContact CG2-CG2 4.29Å; A500-T507 PolarHBondContact O-N 3.38Å; A500-T507 PolarHBondContact O-OG1 3.11Å; T502-T507 HydrophobicContact CG2-CG2 4Å
508A98.3Very high93.7Very high1 Ų129.3 Ų29.31%0.00814%0.144CC..EExtended strand (participates in β ladder)trans-153.4149.3169.100000111.8A191 L410 R413 A414 A500A191-A508 WeakPolarHBondContact O-CA 3.2Å; A191-A508 WeakPolarHBondContact O-CB 3.4Å; L410-A508 HydrophobicContact CD1-CB 4.09Å; R413-A508 HydrophobicContact CG-CB 4.43Å; A414-A508 HydrophobicContact CB-CB 3.82Å; A500-A508 HydrophobicContact CB-CB 4.46Å; A500-A508 PolarHBondContact N-O 3.14Å; A500-A508 PolarHBondContact O-N 3.48Å
509I97.5Very high93.2Very high1 Ų132.3 Ų32.31%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-132.9151.516654170.4000110.7L177 V189 E190 A191 M201 I205 F497 K498 V499 I506L177-I509 HydrophobicContact CD1-CD1 4.4Å; V189-I509 HydrophobicContact CB-CD1 4.46Å; V189-I509 HydrophobicContact CG1-CD1 3.3Å; V189-I509 HydrophobicContact CG1-CG1 3.96Å; E190-I509 CarbonylContact C-O 3.58Å; E190-I509 WeakPolarHBondContact CA-O 3.44Å; A191-I509 HydrophobicContact CB-CD1 4.14Å; A191-I509 HydrophobicContact CB-CG1 3.48Å; A191-I509 VanDerWaalsContact CB-CG1 3.48Å; A191-I509 PolarHBondContact N-O 3.39Å; A191-I509 PolarHBondContact O-N 3.46Å; A191-I509 VanDerWaalsContact O-N 3.11Å; M201-I509 HydrophobicContact CE-CD1 3.95Å; M201-I509 HydrophobicContact CE-CG1 4.08Å; M201-I509 HydrophobicContact CG-CD1 3.72Å; M201-I509 HydrophobicContact SD-CD1 3.48Å; M201-I509 WeakPolarHBondContact SD-CD1 3.49Å; M201-I509 HydrophobicContact SD-CG1 4.23Å; I205-I509 HydrophobicContact CD1-CD1 4.3Å; F497-I509 HydrophobicContact CE2-CB 4.01Å; F497-I509 HydrophobicContact CE2-CD1 4.38Å; F497-I509 HydrophobicContact CE2-CG2 4.11Å; K498-I509 CarbonylContact O-C 3.52Å; K498-I509 VanDerWaalsContact O-CA 3.25Å; K498-I509 WeakPolarHBondContact O-CA 3.38Å; V499-I509 HydrophobicContact CB-CG2 4.23Å; V499-I509 HydrophobicContact CG1-CG2 3.9Å; V499-I509 HydrophobicContact CG2-CG2 4.07Å; I506-I509 HydrophobicContact CD1-CG2 4.43Å; I506-I509 HydrophobicContact CG2-CG2 3.7Å
510Q96.5Very high92.9Very high1 Ų136.1 Ų36.11%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-147.3124.6167.8179.2-179.988.800108.4V189 E190 L410 K498V189-Q510 CarbonylContact O-C 3.6Å; V189-Q510 VanDerWaalsContact O-CA 3.3Å; V189-Q510 WeakPolarHBondContact O-CA 3.24Å; E190-Q510 PolarHBondContact OE2-NE2 3.48Å; L410-Q510 HydrophobicContact CD1-CB 3.97Å; L410-Q510 HydrophobicContact CD2-CB 4.06Å; K498-Q510 HydrophobicContact CB-CB 4.35Å; K498-Q510 WeakPolarHBondContact CB-O 3.34Å; K498-Q510 PolarHBondContact N-O 3.22Å; K498-Q510 PolarHBondContact O-N 2.83Å
511M93.4Very high92.6Very high0 Ų041.6 Ų41.60%020%0.203CC..EExtended strand (participates in β ladder)trans-129.6126.8-179.6-170.6175.972.500109.5V186 M188 V189 M495 D496 F497 I513 L518 I523V186-M511 HydrophobicContact CG1-CE 4.11Å; M188-M511 WeakPolarHBondContact CA-O 3.35Å; V189-M511 HydrophobicContact CB-CB 4.15Å; V189-M511 HydrophobicContact CB-CE 4.29Å; V189-M511 HydrophobicContact CG2-CE 3.8Å; V189-M511 PolarHBondContact N-O 3.41Å; V189-M511 PolarHBondContact O-N 2.91Å; M495-M511 HydrophobicContact CG-CG 4.14Å; M495-M511 HydrophobicContact CG-SD 4.49Å; M495-M511 HydrophobicContact SD-CG 4.39Å; M495-M511 HydrophobicContact SD-SD 4.02Å; D496-M511 WeakPolarHBondContact O-CA 3.45Å; F497-M511 HydrophobicContact CB-CB 4.45Å; F497-M511 HydrophobicContact CB-CG 3.97Å; F497-M511 HydrophobicContact CB-SD 4.42Å; F497-M511 HydrophobicContact CD1-SD 4.11Å; F497-M511 HydrophobicContact CD2-CB 3.58Å; F497-M511 HydrophobicContact CD2-CG 3.89Å; F497-M511 HydrophobicContact CD2-SD 4.14Å; F497-M511 HydrophobicContact CE1-SD 4.33Å; F497-M511 HydrophobicContact CE2-CB 3.99Å; F497-M511 HydrophobicContact CE2-CG 4.48Å; F497-M511 HydrophobicContact CE2-SD 4.33Å; F497-M511 HydrophobicContact CG-CB 4.17Å; F497-M511 HydrophobicContact CG-CG 3.95Å; F497-M511 HydrophobicContact CG-SD 4Å; F497-M511 HydrophobicContact CZ-SD 4.43Å; M511-I513 HydrophobicContact CG-CG2 4.27Å; M511-L518 HydrophobicContact CE-CD1 3.86Å; M511-L518 HydrophobicContact SD-CD1 3.48Å; M511-L518 WeakPolarHBondContact SD-CD1 3.45Å; M511-I523 HydrophobicContact CE-CD1 4.39Å
512D85.5Confident92.4Very high42 Ų4242.3 Ų42.323%0.22521%0.207CC..EExtended strand (participates in β ladder)trans-128143164.354.1-76.3000110.4R97 D496 K498R97-D512 HydrophobicContact CG-CB 4.11Å; D496-D512 PolarHBondContact N-O 3.15Å; D496-D512 PolarHBondContact O-N 3.13Å; K498-D512 IonicContact NZ-OD1 2.82Å
513I90.2Very high92.3Very high7 Ų742.2 Ų42.24%0.03621%0.206CC..EExtended strand (participates in β ladder)trans-124.3156.1-176.971.8177.9000111.1P101 N187 D494 M495 M511 I515 L518P101-I513 WeakPolarHBondContact CG-O 3.49Å; N187-I513 HydrophobicContact CB-CD1 4.41Å; N187-I513 WeakPolarHBondContact O-CG1 3.46Å; D494-I513 CarbonylContact O-C 3.59Å; D494-I513 WeakPolarHBondContact O-CA 3.43Å; D494-I513 WeakPolarHBondContact O-CB 3.26Å; M495-I513 HydrophobicContact CB-CG2 4.17Å; M495-I513 HydrophobicContact CG-CG2 4.05Å; M511-I513 HydrophobicContact CG-CG2 4.27Å; I513-I515 HydrophobicContact CB-CG1 4.38Å; I513-I515 HydrophobicContact CD1-CG1 4.23Å; I513-I515 VanDerWaalsContact CD1-O 3.24Å; I513-I515 WeakPolarHBondContact CD1-O 3.21Å; I513-I515 WeakPolarHBondContact CG1-O 3.25Å; I513-L518 HydrophobicContact CD1-CG 4.28Å; I513-L518 HydrophobicContact CG2-CD1 3.75Å; I513-L518 HydrophobicContact CG2-CD2 4.39Å; I513-L518 HydrophobicContact CG2-CG 3.93Å
514K86.4Confident92.3Very high102 Ų10238.8 Ų38.844%0.44319%0.192SC..SBendtrans-1105.1177.9-60.4-179.9-172.5159.80113D490 A491 G493 D494D490-K514 PolarHBondContact O-NZ 2.67Å; A491-K514 PolarHBondContact O-NZ 3.43Å; G493-K514 WeakPolarHBondContact O-CD 3.46Å; D494-K514 PolarHBondContact O-N 2.76Å
515I86.3Confident92.3Very high37 Ų3736.7 Ų36.719%0.1918%0.183CC..SBendtrans-114.4171.917657.2173.2000109.7L472 T474 D494 I513 G517 L518L472-I515 HydrophobicContact CD2-CD1 4.23Å; T474-I515 HydrophobicContact CG2-CD1 4.3Å; D494-I515 HydrophobicContact CB-CD1 4.05Å; D494-I515 HydrophobicContact CB-CG1 4.17Å; D494-I515 HydrophobicContact CB-CG2 3.75Å; D494-I515 WeakPolarHBondContact OD1-CG2 3.15Å; I513-I515 HydrophobicContact CB-CG1 4.38Å; I513-I515 HydrophobicContact CD1-CG1 4.23Å; I513-I515 VanDerWaalsContact CD1-O 3.24Å; I513-I515 WeakPolarHBondContact CD1-O 3.21Å; I513-I515 WeakPolarHBondContact CG1-O 3.25Å; I515-G517 WeakPolarHBondContact CD1-O 3.27Å; I515-G517 PolarHBondContact O-N 3.04Å; I515-G517 VanDerWaalsContact O-N 3.17Å; I515-L518 HydrophobicContact CD1-CD2 3.91Å
516D80.2Confident92.3Very high102 Ų10236.7 Ų36.755%0.54518%0.182SC..SBendtrans-59.8-29.7-176.3-59.9-13.5000112.1H182 N187H182-D516 PolarHBondContact CD2-O 2.67Å; H182-D516 PolarHBondContact NE2-O 2.7Å; N187-D516 PolarHBondContact ND2-O 2.96Å
517G85Confident92.3Very high18 Ų1836.8 Ų36.819%0.18618%0.183CC..  trans176166.1-172.600000115.3I515I515-G517 WeakPolarHBondContact CD1-O 3.27Å; I515-G517 PolarHBondContact O-N 3.04Å; I515-G517 VanDerWaalsContact O-N 3.17Å
518L88.3Confident92.2Very high4 Ų439.6 Ų39.62%0.02120%0.196CC..BIsolated β-bridgetrans-116.3145.3170-58.5179.4000111.7V186 L472 M495 M511 I513 I515 I522 I523V186-L518 PolarHBondContact O-N 2.89Å; L472-L518 HydrophobicContact CD2-CD2 3.38Å; M495-L518 HydrophobicContact CG-CD1 4.22Å; M495-L518 HydrophobicContact SD-CD1 3.35Å; M495-L518 WeakPolarHBondContact SD-CD1 3.49Å; M511-L518 HydrophobicContact CE-CD1 3.86Å; M511-L518 HydrophobicContact SD-CD1 3.48Å; M511-L518 WeakPolarHBondContact SD-CD1 3.45Å; I513-L518 HydrophobicContact CD1-CG 4.28Å; I513-L518 HydrophobicContact CG2-CD1 3.75Å; I513-L518 HydrophobicContact CG2-CD2 4.39Å; I513-L518 HydrophobicContact CG2-CG 3.93Å; I515-L518 HydrophobicContact CD1-CD2 3.91Å; L518-I522 HydrophobicContact CD2-CG2 4.2Å; L518-I523 HydrophobicContact CB-CD1 4.09Å; L518-I523 HydrophobicContact CB-CG1 3.93Å; L518-I523 HydrophobicContact CD1-CG1 4.14Å
519T87.3Confident92.2Very high70 Ų7040.3 Ų40.343%0.42920%0.199SC..  trans-83.1166.1172.678.60000111.2E521 I522 I523T519-E521 VanDerWaalsContact C-N 3.29Å; T519-E521 WeakPolarHBondContact CB-OE2 3.48Å; T519-E521 PolarHBondContact O-N 3.4Å; T519-E521 PolarHBondContact OG1-OE2 2.69Å; T519-I522 PolarHBondContact O-N 2.92Å; T519-I523 WeakPolarHBondContact O-CG1 3.35Å; T519-I523 PolarHBondContact O-N 3.41Å
520R92.5Very high92.3Very high81 Ų8140.2 Ų40.231%0.30620%0.199SC..Hα-helixtrans-59.4-41.7177.3-177.7167.6-178133.2-1.9112.6L202 E203 F206 I522 I523 E524L202-R520 HydrophobicContact CD1-CG 4.37Å; E203-R520 IonicContact OE1-CZ 3.52Å; E203-R520 IonicContact OE1-NH2 3.43Å; E203-R520 PolarHBondContact OE1-NH2 2.76Å; E203-R520 IonicContact OE2-CZ 3.05Å; E203-R520 IonicContact OE2-NH1 3.57Å; E203-R520 IonicContact OE2-NH2 2.76Å; E203-R520 PolarHBondContact OE2-NH2 2.91Å; F206-R520 HydrophobicContact CD2-CB 4.34Å; F206-R520 HydrophobicContact CD2-CG 3.92Å; F206-R520 HydrophobicContact CE1-CB 3.97Å; F206-R520 HydrophobicContact CE2-CB 3.61Å; F206-R520 HydrophobicContact CE2-CG 3.52Å; F206-R520 HydrophobicContact CZ-CB 3.41Å; F206-R520 VanDerWaalsContact CZ-CB 3.41Å; F206-R520 HydrophobicContact CZ-CG 3.89Å; R520-I522 PolarHBondContact O-N 3.44Å; R520-I523 PolarHBondContact O-N 3.43Å; R520-E524 WeakPolarHBondContact O-CB 3.25Å; R520-E524 PolarHBondContact O-N 2.92Å
521E92.9Very high92.4Very high115 Ų11543.9 Ų43.954%0.53721%0.213SC..Hα-helixtrans-63.4-42.7-177.5-5873.7-159.100111.1T519 E524 E525T519-E521 VanDerWaalsContact C-N 3.29Å; T519-E521 WeakPolarHBondContact CB-OE2 3.48Å; T519-E521 PolarHBondContact O-N 3.4Å; T519-E521 PolarHBondContact OG1-OE2 2.69Å; E521-E524 PolarHBondContact O-N 3.21Å; E521-E525 WeakPolarHBondContact O-CB 3.29Å; E521-E525 PolarHBondContact O-N 2.97Å
522I93.4Very high92.6Very high16 Ų1650.2 Ų50.28%0.08224%0.236CC..Hα-helixtrans-65.8-43.1178.5-65.1172.9000110.8L472 Y479 I481 L518 T519 R520 A526L472-I522 HydrophobicContact CD1-CG2 4Å; L472-I522 HydrophobicContact CD2-CD1 4.5Å; L472-I522 HydrophobicContact CD2-CG2 4Å; Y479-I522 HydrophobicContact CD1-CD1 4.49Å; Y479-I522 HydrophobicContact CD2-CG1 4.43Å; Y479-I522 HydrophobicContact CE1-CG1 4.24Å; Y479-I522 HydrophobicContact CE2-CG1 4.07Å; I481-I522 HydrophobicContact CD1-CG2 4.35Å; L518-I522 HydrophobicContact CD2-CG2 4.2Å; T519-I522 PolarHBondContact O-N 2.92Å; R520-I522 PolarHBondContact O-N 3.44Å; I522-A526 VanDerWaalsContact O-CB 3.24Å; I522-A526 WeakPolarHBondContact O-CB 3.38Å; I522-A526 PolarHBondContact O-N 3.03Å
523I95.3Very high93.2Very high0 Ų048.4 Ų48.40%023%0.228CC..Hα-helixtrans-65.8-42.7179.3-63.7173.4000110.5L202 I205 F206 M511 L518 T519 R520 A526 L527L202-I523 HydrophobicContact CD1-CB 4.14Å; L202-I523 HydrophobicContact CD1-CG2 3.74Å; I205-I523 HydrophobicContact CD1-CG2 4.19Å; F206-I523 HydrophobicContact CE2-CD1 4.23Å; F206-I523 HydrophobicContact CZ-CD1 4.05Å; M511-I523 HydrophobicContact CE-CD1 4.39Å; L518-I523 HydrophobicContact CB-CD1 4.09Å; L518-I523 HydrophobicContact CB-CG1 3.93Å; L518-I523 HydrophobicContact CD1-CG1 4.14Å; T519-I523 WeakPolarHBondContact O-CG1 3.35Å; T519-I523 PolarHBondContact O-N 3.41Å; R520-I523 PolarHBondContact O-N 3.43Å; I523-A526 PolarHBondContact O-N 2.94Å; I523-L527 HydrophobicContact CG2-CD1 4.02Å; I523-L527 HydrophobicContact CG2-CG 4.37Å; I523-L527 WeakPolarHBondContact O-CB 3.39Å; I523-L527 VanDerWaalsContact O-CG 3.31Å; I523-L527 WeakPolarHBondContact O-CG 3.39Å; I523-L527 PolarHBondContact O-N 2.95Å
524E97.4Very high93.6Very high88 Ų8848.2 Ų48.241%0.41123%0.227SC..Hα-helixtrans-61-48.9177.4-176.6173.1-172.700111.7L202 R520 E521 A526 L527 E528L202-E524 HydrophobicContact CD1-CB 4.22Å; L202-E524 HydrophobicContact CD2-CB 3.76Å; L202-E524 HydrophobicContact CD2-CG 3.82Å; R520-E524 WeakPolarHBondContact O-CB 3.25Å; R520-E524 PolarHBondContact O-N 2.92Å; E521-E524 PolarHBondContact O-N 3.21Å; E524-A526 VanDerWaalsContact C-N 3.34Å; E524-A526 PolarHBondContact O-N 2.82Å; E524-L527 PolarHBondContact O-N 2.99Å; E524-E528 PolarHBondContact O-N 2.78Å
525E97.3Very high94.2Very high85 Ų8545.3 Ų45.340%0.39722%0.216SC..Hα-helixtrans-62.2-42.7177.3-171.2-176.8167.100111.3Y479 I481 E521 L527 E528 Q529Y479-E525 PolarHBondContact OH-OE2 2.76Å; I481-E525 HydrophobicContact CD1-CB 3.61Å; I481-E525 HydrophobicContact CD1-CG 3.64Å; E521-E525 WeakPolarHBondContact O-CB 3.29Å; E521-E525 PolarHBondContact O-N 2.97Å; E525-L527 PolarHBondContact O-N 2.88Å; E525-E528 PolarHBondContact O-N 3.25Å; E525-Q529 WeakPolarHBondContact O-CB 3.33Å; E525-Q529 PolarHBondContact O-N 2.92Å
526A97.3Very high94.7Very high0 Ų048.6 Ų48.60%023%0.23CC..Hα-helixtrans-64-40.9178.400000112.4I481 M495 F497 I522 I523 E524 A530I481-A526 HydrophobicContact CD1-CB 4.1Å; I481-A526 HydrophobicContact CG2-CB 4.16Å; M495-A526 HydrophobicContact CE-CB 4.1Å; F497-A526 HydrophobicContact CD1-CB 3.78Å; F497-A526 HydrophobicContact CE1-CB 4.02Å; I522-A526 VanDerWaalsContact O-CB 3.24Å; I522-A526 WeakPolarHBondContact O-CB 3.38Å; I522-A526 PolarHBondContact O-N 3.03Å; I523-A526 PolarHBondContact O-N 2.94Å; E524-A526 VanDerWaalsContact C-N 3.34Å; E524-A526 PolarHBondContact O-N 2.82Å; A526-A530 WeakPolarHBondContact O-CB 3.41Å; A526-A530 PolarHBondContact O-N 2.96Å
527L98.1Very high95.6Very high2 Ų243.8 Ų43.81%0.0120%0.204CC..Hα-helixtrans-63.4-45.4176.2-78.8172.4000111.8E198 L202 F497 I506 I523 E524 E525 A530 R531E198-L527 HydrophobicContact CB-CB 4.3Å; E198-L527 HydrophobicContact CG-CB 4.29Å; L202-L527 HydrophobicContact CB-CD1 4.1Å; L202-L527 HydrophobicContact CD1-CD1 4.29Å; F497-L527 HydrophobicContact CE1-CD2 3.97Å; F497-L527 HydrophobicContact CE1-CG 4.02Å; F497-L527 HydrophobicContact CZ-CD2 3.6Å; F497-L527 HydrophobicContact CZ-CG 4.05Å; I506-L527 HydrophobicContact CD1-CD2 3.87Å; I523-L527 HydrophobicContact CG2-CD1 4.02Å; I523-L527 HydrophobicContact CG2-CG 4.37Å; I523-L527 WeakPolarHBondContact O-CB 3.39Å; I523-L527 VanDerWaalsContact O-CG 3.31Å; I523-L527 WeakPolarHBondContact O-CG 3.39Å; I523-L527 PolarHBondContact O-N 2.95Å; E524-L527 PolarHBondContact O-N 2.99Å; E525-L527 PolarHBondContact O-N 2.88Å; L527-A530 WeakPolarHBondContact O-CB 3.49Å; L527-A530 PolarHBondContact O-N 3.37Å; L527-R531 WeakPolarHBondContact O-CB 3.38Å; L527-R531 PolarHBondContact O-N 3.25Å
528E98.1Very high96.2Very high59 Ų5943.2 Ų43.228%0.27620%0.197SC..Hα-helixtrans-67.8-40.7179.3171.153.3-153.100111.6E524 E525 A530 R531 R532E524-E528 PolarHBondContact O-N 2.78Å; E525-E528 PolarHBondContact O-N 3.25Å; E528-A530 VanDerWaalsContact C-N 3.35Å; E528-R531 WeakPolarHBondContact O-CB 3.47Å; E528-R531 PolarHBondContact O-N 3.49Å; E528-R531 IonicContact OE1-CZ 2.98Å; E528-R531 IonicContact OE1-NE 2.71Å; E528-R531 IonicContact OE1-NH2 2.91Å; E528-R531 PolarHBondContact OE1-NH2 3.09Å; E528-R531 IonicContact OE2-CZ 2.59Å; E528-R531 IonicContact OE2-NE 3Å; E528-R531 PolarHBondContact OE2-NE 3.03Å; E528-R531 IonicContact OE2-NH2 3.32Å; E528-R531 PolarHBondContact OE2-NH2 3.47Å; E528-R532 PolarHBondContact O-N 3.21Å; E528-R532 VanDerWaalsContact O-N 3.1Å; E528-R532 IonicContact OE1-CZ 2.8Å; E528-R532 IonicContact OE1-NE 2.81Å; E528-R532 PolarHBondContact OE1-NE 2.91Å; E528-R532 IonicContact OE1-NH2 2.65Å
529Q98Very high96.7Very high16 Ų1647.7 Ų47.78%0.07522%0.221CC..Hα-helixtrans-66-39.4175.4-161.9-177.11.400111P325 M470 I481 T483 E525 R531 R532 G533P325-Q529 PolarHBondContact O-NE2 2.96Å; M470-Q529 HydrophobicContact CE-CB 3.73Å; M470-Q529 HydrophobicContact CE-CG 3.66Å; I481-Q529 VanDerWaalsContact CB-OE1 3.29Å; T483-Q529 VanDerWaalsContact OG1-CG 3.25Å; T483-Q529 WeakPolarHBondContact OG1-CG 3.23Å; T483-Q529 PolarHBondContact OG1-NE2 3.41Å; E525-Q529 WeakPolarHBondContact O-CB 3.33Å; E525-Q529 PolarHBondContact O-N 2.92Å; Q529-R531 VanDerWaalsContact C-N 3.34Å; Q529-R531 PolarHBondContact O-N 3.1Å; Q529-R532 PolarHBondContact O-N 3.47Å; Q529-G533 PolarHBondContact O-N 3.3Å
530A98.3Very high97.3Very high0 Ų046.3 Ų46.30%021%0.209CC..Hα-helixtrans-61.9-39.8172.900000112.4I468 M470 V499 A526 L527 E528 G533 R534I468-A530 HydrophobicContact CG2-CB 3.98Å; M470-A530 HydrophobicContact CG-CB 3.7Å; M470-A530 HydrophobicContact SD-CB 3.84Å; V499-A530 HydrophobicContact CB-CB 3.84Å; V499-A530 HydrophobicContact CG1-CB 4.13Å; V499-A530 HydrophobicContact CG2-CB 3.71Å; A526-A530 WeakPolarHBondContact O-CB 3.41Å; A526-A530 PolarHBondContact O-N 2.96Å; L527-A530 WeakPolarHBondContact O-CB 3.49Å; L527-A530 PolarHBondContact O-N 3.37Å; E528-A530 VanDerWaalsContact C-N 3.35Å; A530-G533 PolarHBondContact O-N 3.42Å; A530-R534 WeakPolarHBondContact O-CB 3.4Å; A530-R534 WeakPolarHBondContact O-CG 3.22Å; A530-R534 PolarHBondContact O-N 2.8Å
531R98.5Very high97.6Very high78 Ų7842.6 Ų42.629%0.29420%0.196SC..Hα-helixtrans-60.5-48.2176.1-171.1-170.17075.97111.2E198 L527 E528 Q529 G533 R534 L535E198-R531 HydrophobicContact CG-CB 4.11Å; E198-R531 HydrophobicContact CG-CG 4.38Å; E198-R531 WeakPolarHBondContact OE1-CG 3.48Å; E198-R531 VanDerWaalsContact OE2-CD 3.28Å; E198-R531 WeakPolarHBondContact OE2-CD 3.31Å; L527-R531 WeakPolarHBondContact O-CB 3.38Å; L527-R531 PolarHBondContact O-N 3.25Å; E528-R531 WeakPolarHBondContact O-CB 3.47Å; E528-R531 PolarHBondContact O-N 3.49Å; E528-R531 IonicContact OE1-CZ 2.98Å; E528-R531 IonicContact OE1-NE 2.71Å; E528-R531 IonicContact OE1-NH2 2.91Å; E528-R531 PolarHBondContact OE1-NH2 3.09Å; E528-R531 IonicContact OE2-CZ 2.59Å; E528-R531 IonicContact OE2-NE 3Å; E528-R531 PolarHBondContact OE2-NE 3.03Å; E528-R531 IonicContact OE2-NH2 3.32Å; E528-R531 PolarHBondContact OE2-NH2 3.47Å; Q529-R531 VanDerWaalsContact C-N 3.34Å; Q529-R531 PolarHBondContact O-N 3.1Å; R531-G533 PolarHBondContact O-N 3.37Å; R531-R534 PolarHBondContact O-N 3.09Å; R531-L535 WeakPolarHBondContact O-CG 3.5Å; R531-L535 PolarHBondContact O-N 2.89Å; R531-L535 VanDerWaalsContact O-N 3.07Å
532R98.3Very high97.8Very high133 Ų13339.9 Ų39.950%0.50218%0.184SC..Hα-helixtrans-58.9-47.9175.9-67.9-177.7-121.1158.54.1111.4E528 Q529 R534 L535 E536E528-R532 PolarHBondContact O-N 3.21Å; E528-R532 VanDerWaalsContact O-N 3.1Å; E528-R532 IonicContact OE1-CZ 2.8Å; E528-R532 IonicContact OE1-NE 2.81Å; E528-R532 PolarHBondContact OE1-NE 2.91Å; E528-R532 IonicContact OE1-NH2 2.65Å; Q529-R532 PolarHBondContact O-N 3.47Å; R532-R534 PolarHBondContact O-N 2.76Å; R532-L535 PolarHBondContact O-N 3.1Å; R532-E536 PolarHBondContact O-N 3.42Å; R532-E536 VanDerWaalsContact O-N 3.09Å
533G98.2Very high98Very high4 Ų446.5 Ų46.54%0.04122%0.215CC..Hα-helixtrans-63.8-40.9-18000000113.7Q529 A530 R531 L535 E536 I537Q529-G533 PolarHBondContact O-N 3.3Å; A530-G533 PolarHBondContact O-N 3.42Å; R531-G533 PolarHBondContact O-N 3.37Å; G533-L535 PolarHBondContact O-N 2.87Å; G533-E536 PolarHBondContact O-N 2.85Å; G533-I537 WeakPolarHBondContact O-CG1 3.4Å; G533-I537 PolarHBondContact O-N 2.85Å
534R98.2Very high98.2Very high3 Ų348.8 Ų48.81%0.01123%0.229CC..Hα-helixtrans-61.2-42.9173.8-79.7-174.2-69.4118.9-5.3112.2E198 A466 I468 V499 T502 A530 R531 R532 E536 I537 M538E198-R534 IonicContact OE1-CZ 2.76Å; E198-R534 IonicContact OE1-NH2 3.21Å; E198-R534 PolarHBondContact OE1-NH2 2.63Å; A466-R534 HydrophobicContact CB-CB 4.31Å; A466-R534 WeakPolarHBondContact CB-O 3.36Å; A466-R534 VanDerWaalsContact O-CD 3.28Å; A466-R534 WeakPolarHBondContact O-CD 3.41Å; I468-R534 HydrophobicContact CB-CG 4.26Å; I468-R534 HydrophobicContact CG2-CG 3.75Å; V499-R534 WeakPolarHBondContact O-CD 3.48Å; T502-R534 PolarHBondContact O-NH1 2.96Å; A530-R534 WeakPolarHBondContact O-CB 3.4Å; A530-R534 WeakPolarHBondContact O-CG 3.22Å; A530-R534 PolarHBondContact O-N 2.8Å; R531-R534 PolarHBondContact O-N 3.09Å; R532-R534 PolarHBondContact O-N 2.76Å; R534-E536 VanDerWaalsContact C-N 3.33Å; R534-E536 PolarHBondContact O-N 3.24Å; R534-I537 PolarHBondContact O-N 3.28Å; R534-M538 VanDerWaalsContact O-CB 3.26Å; R534-M538 WeakPolarHBondContact O-CB 3.49Å; R534-M538 PolarHBondContact O-N 2.91Å
535L98.4Very high98.2Very high41 Ų4145.4 Ų45.422%0.21521%0.214CC..Hα-helixtrans-65.6-36.8179.5-70.2176.6000112K503 R531 R532 G533 M538 N539K503-L535 HydrophobicContact CB-CD2 4.29Å; K503-L535 HydrophobicContact CG-CD2 4.03Å; R531-L535 WeakPolarHBondContact O-CG 3.5Å; R531-L535 PolarHBondContact O-N 2.89Å; R531-L535 VanDerWaalsContact O-N 3.07Å; R532-L535 PolarHBondContact O-N 3.1Å; G533-L535 PolarHBondContact O-N 2.87Å; L535-M538 PolarHBondContact O-N 2.95Å; L535-N539 WeakPolarHBondContact O-CB 3.22Å; L535-N539 PolarHBondContact O-N 3.18Å; L535-N539 PolarHBondContact O-ND2 2.77Å; L535-N539 VanDerWaalsContact O-ND2 3.11Å
536E98.5Very high98.2Very high106 Ų10647 Ų4750%0.49523%0.225SC..Hα-helixtrans-63.5-48.6173.5-173.3175.1149.100111.8I328 R532 G533 R534 M538 N539 H540I328-E536 HydrophobicContact CD1-CB 3.83Å; I328-E536 HydrophobicContact CD1-CG 3.98Å; R532-E536 PolarHBondContact O-N 3.42Å; R532-E536 VanDerWaalsContact O-N 3.09Å; G533-E536 PolarHBondContact O-N 2.85Å; R534-E536 VanDerWaalsContact C-N 3.33Å; R534-E536 PolarHBondContact O-N 3.24Å; E536-M538 VanDerWaalsContact C-N 3.31Å; E536-M538 PolarHBondContact O-N 2.79Å; E536-N539 PolarHBondContact O-N 3.02Å; E536-H540 PolarHBondContact O-N 3.24Å; E536-H540 VanDerWaalsContact O-N 3.09Å
537I98.6Very high98.2Very high0 Ų052.7 Ų52.70%025%0.252CS..Hα-helixtrans-60.5-42.5175.9-67.1162.4000111.2I328 L331 F347 R349 A466 I468 G533 R534 N539 H540 M541I328-I537 HydrophobicContact CD1-CD1 4.35Å; I328-I537 HydrophobicContact CD1-CG1 4.03Å; I328-I537 HydrophobicContact CG2-CG1 4.46Å; L331-I537 HydrophobicContact CD1-CB 4.44Å; L331-I537 HydrophobicContact CD1-CG1 3.98Å; L331-I537 HydrophobicContact CD2-CG1 4.31Å; F347-I537 HydrophobicContact CE2-CG2 3.89Å; F347-I537 HydrophobicContact CZ-CG2 3.64Å; R349-I537 VanDerWaalsContact NH1-CD1 3.31Å; A466-I537 HydrophobicContact CB-CB 4.33Å; A466-I537 HydrophobicContact CB-CG2 4.07Å; I468-I537 HydrophobicContact CB-CD1 4.11Å; I468-I537 HydrophobicContact CD1-CD1 3.87Å; I468-I537 HydrophobicContact CG1-CD1 4.05Å; G533-I537 WeakPolarHBondContact O-CG1 3.4Å; G533-I537 PolarHBondContact O-N 2.85Å; R534-I537 PolarHBondContact O-N 3.28Å; I537-N539 PolarHBondContact O-N 2.8Å; I537-H540 WeakPolarHBondContact O-CB 3.47Å; I537-H540 PolarHBondContact O-N 2.8Å; I537-M541 HydrophobicContact CG2-CE 4.26Å; I537-M541 WeakPolarHBondContact O-CG 3.49Å; I537-M541 PolarHBondContact O-N 3.01Å
538M98.3Very high98.2Very high7 Ų754.3 Ų54.33%0.03426%0.262CS..Hα-helixtrans-58.5-48.8176.6-170.371.675.400111.4P464 A466 R534 L535 E536 H540 M541 L542P464-M538 HydrophobicContact CB-CE 4.38Å; P464-M538 HydrophobicContact CB-SD 3.57Å; P464-M538 VanDerWaalsContact CB-SD 3.57Å; P464-M538 HydrophobicContact CG-CE 4.32Å; P464-M538 HydrophobicContact CG-SD 3.56Å; P464-M538 VanDerWaalsContact CG-SD 3.56Å; P464-M538 WeakPolarHBondContact O-CE 3.31Å; A466-M538 HydrophobicContact CB-CB 4.21Å; A466-M538 HydrophobicContact CB-CE 3.72Å; A466-M538 HydrophobicContact CB-SD 4.3Å; A466-M538 VanDerWaalsContact N-CE 3.34Å; R534-M538 VanDerWaalsContact O-CB 3.26Å; R534-M538 WeakPolarHBondContact O-CB 3.49Å; R534-M538 PolarHBondContact O-N 2.91Å; L535-M538 PolarHBondContact O-N 2.95Å; E536-M538 VanDerWaalsContact C-N 3.31Å; E536-M538 PolarHBondContact O-N 2.79Å; M538-H540 PolarHBondContact O-N 3.47Å; M538-M541 PolarHBondContact O-N 3.18Å; M538-M541 HydrophobicContact SD-CE 3.81Å; M538-L542 HydrophobicContact CG-CD1 4Å; M538-L542 HydrophobicContact CG-CG 4.43Å; M538-L542 WeakPolarHBondContact O-CG 3.3Å; M538-L542 PolarHBondContact O-N 2.92Å
539N98.4Very high98.1Very high97 Ų9757.4 Ų57.452%0.51927%0.271SS..Hα-helixtrans-60.4-35.4179.2-70.9-27.6000111.5L535 E536 I537 Q543L535-N539 WeakPolarHBondContact O-CB 3.22Å; L535-N539 PolarHBondContact O-N 3.18Å; L535-N539 PolarHBondContact O-ND2 2.77Å; L535-N539 VanDerWaalsContact O-ND2 3.11Å; E536-N539 PolarHBondContact O-N 3.02Å; I537-N539 PolarHBondContact O-N 2.8Å; N539-Q543 WeakPolarHBondContact O-CG 3.27Å; N539-Q543 PolarHBondContact O-N 2.9Å; N539-Q543 PolarHBondContact O-NE2 3.05Å
540H98.6Very high97.9Very high41 Ų4163 Ų6319%0.1931%0.306CS..Hα-helixtrans-66.2-50.7173.5-175.6-83.3000112L331 S333 E536 I537 M538 L542 Q543L331-H540 HydrophobicContact CB-CB 4.39Å; L331-H540 HydrophobicContact CD1-CB 3.76Å; L331-H540 PolarHBondContact O-NE2 2.87Å; S333-H540 PolarHBondContact OG-ND1 3.39Å; E536-H540 PolarHBondContact O-N 3.24Å; E536-H540 VanDerWaalsContact O-N 3.09Å; I537-H540 WeakPolarHBondContact O-CB 3.47Å; I537-H540 PolarHBondContact O-N 2.8Å; M538-H540 PolarHBondContact O-N 3.47Å; H540-L542 VanDerWaalsContact C-N 3.25Å; H540-L542 PolarHBondContact O-N 3.39Å; H540-Q543 WeakPolarHBondContact O-CB 3.48Å; H540-Q543 PolarHBondContact O-N 3.32Å
541M98.6Very high97.5Very high4 Ų470.2 Ų70.22%0.0234%0.34CS..Hα-helixtrans-57.3-39.8178.5-70.1-170.9-61.400112.4F347 C448 L452 A466 I537 M538 Q543 T544 I545F347-M541 HydrophobicContact CD2-CG 4.15Å; F347-M541 HydrophobicContact CD2-SD 4.3Å; F347-M541 HydrophobicContact CE2-CG 3.96Å; F347-M541 HydrophobicContact CE2-SD 4.28Å; C448-M541 HydrophobicContact CB-CE 4.45Å; C448-M541 HydrophobicContact CB-SD 3.48Å; C448-M541 WeakPolarHBondContact CB-SD 3.45Å; L452-M541 HydrophobicContact CD1-CG 4.49Å; L452-M541 HydrophobicContact CD2-CB 4.03Å; L452-M541 HydrophobicContact CD2-CG 4.29Å; L452-M541 HydrophobicContact CG-CG 4.41Å; L452-M541 HydrophobicContact CG-SD 4.25Å; A466-M541 HydrophobicContact CB-CE 3.65Å; I537-M541 HydrophobicContact CG2-CE 4.26Å; I537-M541 WeakPolarHBondContact O-CG 3.49Å; I537-M541 PolarHBondContact O-N 3.01Å; M538-M541 PolarHBondContact O-N 3.18Å; M538-M541 HydrophobicContact SD-CE 3.81Å; M541-Q543 PolarHBondContact O-N 3.41Å; M541-T544 VanDerWaalsContact O-CB 3.29Å; M541-T544 WeakPolarHBondContact O-CB 3.48Å; M541-T544 PolarHBondContact O-N 3.29Å; M541-I545 PolarHBondContact O-N 2.79Å; M541-I545 VanDerWaalsContact O-N 3.17Å
542L98.4Very high97.1Very high57 Ų5769 Ų6930%0.29834%0.339SS..Hα-helixtrans-67.5-17.4178.7-70.2174.7000113.9M455 P464 M538 H540 T544 I545M455-L542 HydrophobicContact CE-CD2 4.22Å; P464-L542 HydrophobicContact CG-CD2 4.2Å; M538-L542 HydrophobicContact CG-CD1 4Å; M538-L542 HydrophobicContact CG-CG 4.43Å; M538-L542 WeakPolarHBondContact O-CG 3.3Å; M538-L542 PolarHBondContact O-N 2.92Å; H540-L542 VanDerWaalsContact C-N 3.25Å; H540-L542 PolarHBondContact O-N 3.39Å; L542-T544 VanDerWaalsContact C-N 3.3Å; L542-I545 WeakPolarHBondContact CA-O 3.48Å; L542-I545 CarbonylContact O-C 3.56Å
543Q98.3Very high96.5Very high156 Ų15664 Ų6473%0.72933%0.325SS*.Hα-helixtrans-74.4-23.5169.8-66.3167.225.300112.2N539 H540 M541N539-Q543 WeakPolarHBondContact O-CG 3.27Å; N539-Q543 PolarHBondContact O-N 2.9Å; N539-Q543 PolarHBondContact O-NE2 3.05Å; H540-Q543 WeakPolarHBondContact O-CB 3.48Å; H540-Q543 PolarHBondContact O-N 3.32Å; M541-Q543 PolarHBondContact O-N 3.41Å
544T98.3Very high95.9Very high48 Ų4867.7 Ų67.729%0.29436%0.355SS..Hα-helixtrans-83.5-45.4176.9-52.70000111.4S333 V335 M541 L542S333-T544 WeakPolarHBondContact CB-OG1 3.39Å; S333-T544 WeakPolarHBondContact O-CG2 3.37Å; S333-T544 PolarHBondContact O-OG1 3.24Å; V335-T544 HydrophobicContact CG1-CG2 4.18Å; V335-T544 HydrophobicContact CG2-CG2 4.15Å; M541-T544 VanDerWaalsContact O-CB 3.29Å; M541-T544 WeakPolarHBondContact O-CB 3.48Å; M541-T544 PolarHBondContact O-N 3.29Å; L542-T544 VanDerWaalsContact C-N 3.3Å
545I98.1Very high95.5Very high16 Ų1672.8 Ų72.88%0.08238%0.375CS..  trans-150.2118176.3-172.4165.2000108.6V335 L452 M455 M541 L542 Q547 R549V335-I545 HydrophobicContact CG1-CB 4.47Å; V335-I545 HydrophobicContact CG1-CG2 3.94Å; L452-I545 HydrophobicContact CD2-CG2 3.68Å; M455-I545 HydrophobicContact CB-CD1 3.83Å; M455-I545 HydrophobicContact CB-CG1 4.24Å; M455-I545 HydrophobicContact CB-CG2 4.04Å; M455-I545 HydrophobicContact CE-CG1 4.28Å; M455-I545 HydrophobicContact CE-CG2 4.04Å; M455-I545 WeakPolarHBondContact CE-O 3.29Å; M455-I545 HydrophobicContact SD-CG2 4.1Å; M541-I545 PolarHBondContact O-N 2.79Å; M541-I545 VanDerWaalsContact O-N 3.17Å; L542-I545 WeakPolarHBondContact CA-O 3.48Å; L542-I545 CarbonylContact O-C 3.56Å; I545-Q547 WeakPolarHBondContact CG1-O 3.32Å; I545-R549 HydrophobicContact CD1-CG 4.29Å
546D96.8Very high95Very high119 Ų11970.9 Ų70.964%0.63637%0.365SS*.SBendtrans-90.2-23.8-17261.9-17.9000113.3
547Q96.7Very high94.4Very high120 Ų12067 Ų6756%0.56135%0.348SS*.SBendtrans-147156.2176.163.9-172.7-3.900111I545I545-Q547 WeakPolarHBondContact CG1-O 3.32Å
548P97.7Very high93.8Very high36 Ų3671 Ų7123%0.23437%0.366CS..  trans-53.2144.3171.4-24.834.2000112.3M455 V459 I461M455-P548 HydrophobicContact CG-CG 4.25Å; M455-P548 CarbonylContact O-C 3.56Å; M455-P548 WeakPolarHBondContact O-CA 3.36Å; V459-P548 VanDerWaalsContact O-CB 3.3Å; V459-P548 WeakPolarHBondContact O-CB 3.43Å; V459-P548 WeakPolarHBondContact O-CG 3.41Å; I461-P548 HydrophobicContact CG1-CG 4.13Å
549R97Very high93.2Very high124 Ų12472 Ų7247%0.46837%0.373SS..  trans-57.8143.1174.2-65-165.2-170.5-98.5-1.4110.4M455 D456 G458 I545 E551M455-R549 PolarHBondContact O-N 2.97Å; D456-R549 WeakPolarHBondContact O-CD 3.26Å; D456-R549 WeakPolarHBondContact O-CG 3.32Å; D456-R549 PolarHBondContact O-NE 2.86Å; D456-R549 IonicContact OD1-CZ 3.12Å; D456-R549 IonicContact OD1-NE 2.7Å; D456-R549 PolarHBondContact OD1-NE 2.82Å; D456-R549 IonicContact OD1-NH2 2.8Å; D456-R549 PolarHBondContact OD1-NH2 2.78Å; G458-R549 WeakPolarHBondContact CA-O 3.32Å; I545-R549 HydrophobicContact CD1-CG 4.29Å; R549-E551 VanDerWaalsContact C-N 3.3Å; R549-E551 PolarHBondContact O-N 2.83Å
550T93.1Very high92.6Very high132 Ų13268.9 Ų68.981%0.8136%0.357SS*.SBendtrans-76.3-19.9179.955.80000113.3
551E89.9Confident92.1Very high153 Ų15369.9 Ų69.972%0.71537%0.366SS*.SBendtrans-122.3135.7179.8-63.8-176.1-179.900109.5R549R549-E551 VanDerWaalsContact C-N 3.3Å; R549-E551 PolarHBondContact O-N 2.83Å
552L91Very high91.7Very high52 Ų5270.5 Ų70.527%0.27237%0.369SS..  trans-67.2155.9171.3-59.5-178.4000110.5L360 F425 Y427 A457 A554 A556L360-L552 HydrophobicContact CD1-CD1 4.28Å; L360-L552 HydrophobicContact CD1-CD2 4.01Å; F425-L552 HydrophobicContact CE2-CD2 3.97Å; F425-L552 HydrophobicContact CZ-CD2 4.07Å; Y427-L552 HydrophobicContact CE2-CD1 4Å; Y427-L552 WeakPolarHBondContact OH-CD1 3.32Å; A457-L552 WeakPolarHBondContact O-CD2 3.37Å; L552-A554 PolarHBondContact O-N 3.35Å; L552-A556 HydrophobicContact CB-CB 4.15Å
553S86.3Confident91.4Very high29 Ų2972.6 Ų72.620%0.20338%0.384CS..  trans-49.2140.4170.1173.90000111.5T341 H342 Y555 A556T341-S553 PolarHBondContact O-OG 3.24Å; H342-S553 WeakPolarHBondContact O-CB 3.41Å; S553-Y555 PolarHBondContact O-N 3.43Å; S553-Y555 PolarHBondContact OG-N 2.96Å; S553-A556 VanDerWaalsContact O-CB 3.31Å; S553-A556 WeakPolarHBondContact O-CB 3.26Å; S553-A556 PolarHBondContact O-N 3.4Å
554A85.1Confident91.2Very high80 Ų8065.7 Ų65.766%0.66135%0.352SS*.THydrogen-bonded Turntrans-61.1-16.117600000113.4L552L552-A554 PolarHBondContact O-N 3.35Å
555Y88.7Confident90.7Very high111 Ų11168.3 Ų68.344%0.43536%0.36SS..THydrogen-bonded Turntrans-93.6-14.6175.4-57.9-70.3000113.2P339 R340 H342 S553P339-Y555 VanDerWaalsContact O-CE2 3.26Å; P339-Y555 WeakPolarHBondContact O-CE2 3.37Å; R340-Y555 HydrophobicContact CG-CE2 4.33Å; H342-Y555 PolarHBondContact NE2-O 3.35Å; H342-Y555 VanDerWaalsContact NE2-O 3.17Å; S553-Y555 PolarHBondContact O-N 3.43Å; S553-Y555 PolarHBondContact OG-N 2.96Å
556A88.4Confident90.3Very high0 Ų071.2 Ų71.20%038%0.38CS..SBendtrans-67.7141.8175.600000110.1H342 L360 L552 S553 K558H342-A556 HydrophobicContact CB-CB 4.26Å; H342-A556 PolarHBondContact CD2-N 2.91Å; L360-A556 HydrophobicContact CD1-CB 4.1Å; L552-A556 HydrophobicContact CB-CB 4.15Å; S553-A556 VanDerWaalsContact O-CB 3.31Å; S553-A556 WeakPolarHBondContact O-CB 3.26Å; S553-A556 PolarHBondContact O-N 3.4Å; A556-K558 PolarHBondContact O-N 2.9Å
557P85.5Confident90Very high24 Ų2470.6 Ų70.616%0.15638%0.376CS..PPolyproline II helixtrans-59.3133.5168.523.3-28.5000108.6Y427Y427-P557 HydrophobicContact CD1-CG 4.4Å; Y427-P557 HydrophobicContact CE1-CB 4.46Å; Y427-P557 HydrophobicContact CE1-CG 4.03Å; Y427-P557 WeakPolarHBondContact CE1-O 3.48Å; Y427-P557 VanDerWaalsContact CZ-O 3.24Å; Y427-P557 PolarHBondContact OH-O 2.72Å
558K86.2Confident89.6Confident85 Ų8566.1 Ų66.137%0.3736%0.355SS..EExtended strand (participates in β ladder)trans-85.7138167-61.3-179.7-175.2-178.20107.7Y427 A556 G602 A603 Q606 I609Y427-K558 WeakPolarHBondContact OH-CA 3.34Å; A556-K558 PolarHBondContact O-N 2.9Å; K558-G602 CarbonylContact O-C 3.45Å; K558-G602 VanDerWaalsContact O-CA 3.27Å; K558-G602 WeakPolarHBondContact O-CA 3.34Å; K558-A603 PolarHBondContact N-O 2.87Å; K558-A603 PolarHBondContact O-N 2.91Å; K558-Q606 HydrophobicContact CD-CB 4.3Å; K558-I609 HydrophobicContact CB-CD1 3.6Å; K558-I609 WeakPolarHBondContact O-CD1 3.39Å
559V85.9Confident89.3Confident29 Ų2965.7 Ų65.718%0.17635%0.35CS..EExtended strand (participates in β ladder)trans-118.2126.7176.3177.50000108.2P426 Y427 F600 I601P426-V559 HydrophobicContact CB-CG1 4.11Å; P426-V559 HydrophobicContact CG-CB 3.98Å; P426-V559 HydrophobicContact CG-CG1 3.54Å; Y427-V559 HydrophobicContact CD1-CG2 4.1Å; Y427-V559 HydrophobicContact CE1-CB 4.24Å; Y427-V559 HydrophobicContact CE1-CG2 3.38Å; Y427-V559 HydrophobicContact CE2-CB 4.35Å; Y427-V559 HydrophobicContact CE2-CG2 4.28Å; Y427-V559 PolarHBondContact OH-N 2.91Å; V559-F600 HydrophobicContact CG1-CB 4.05Å; V559-F600 HydrophobicContact CG1-CD1 4.07Å; V559-I601 WeakPolarHBondContact CA-O 3.48Å
560V86Confident88.9Confident30 Ų3069 Ų6918%0.18236%0.363CS..EExtended strand (participates in β ladder)trans-110.3127.5169.2171.70000108I601 I609V560-I601 PolarHBondContact N-O 3.49Å; V560-I601 PolarHBondContact O-N 2.74Å; V560-I609 HydrophobicContact CB-CG2 3.61Å; V560-I609 HydrophobicContact CG2-CG2 3.49Å; V560-I609 VanDerWaalsContact CG2-CG2 3.49Å
561T87.3Confident88.8Confident62 Ų6265.2 Ų65.238%0.3834%0.338SS..EExtended strand (participates in β ladder)trans-92.6135.1173.2-48.20000109.4T598 I599 F600T561-T598 HydrophobicContact CG2-CG2 3.51Å; T561-I599 WeakPolarHBondContact CA-O 3.44Å; T561-F600 HydrophobicContact CG2-CD1 4.04Å; T561-F600 HydrophobicContact CG2-CE1 3.79Å; T561-F600 HydrophobicContact CG2-CZ 4.48Å; T561-F600 WeakPolarHBondContact OG1-CD1 3.46Å; T561-F600 WeakPolarHBondContact OG1-CE1 3.47Å
562M91.7Very high88.9Confident17 Ų1757.9 Ų57.98%0.08430%0.304CS..EExtended strand (participates in β ladder)trans-135.2158.3167.166.9177.9-64.300109.8I564 I599 I601 R613 I616 E617M562-I564 HydrophobicContact CE-CG2 3.98Å; M562-I599 HydrophobicContact CG-CB 3.92Å; M562-I599 PolarHBondContact N-O 2.82Å; M562-I599 PolarHBondContact O-N 3.45Å; M562-I601 HydrophobicContact CG-CD1 4.32Å; M562-I601 HydrophobicContact SD-CD1 3.8Å; M562-R613 HydrophobicContact CE-CG 4.48Å; M562-R613 HydrophobicContact SD-CB 4.44Å; M562-R613 HydrophobicContact SD-CG 3.91Å; M562-I616 HydrophobicContact CE-CB 4.26Å; M562-I616 HydrophobicContact CE-CG2 3.67Å; M562-I616 HydrophobicContact SD-CB 4.04Å; M562-I616 HydrophobicContact SD-CD1 4.35Å; M562-I616 HydrophobicContact SD-CG2 3.74Å; M562-E617 HydrophobicContact CE-CG 3.68Å
563T92.4Very high89Confident102 Ų10258.4 Ų58.463%0.62631%0.306SS*.EExtended strand (participates in β ladder)trans-119.5131.8178-51.50000109.4G597T563-G597 WeakPolarHBondContact CA-O 3.33Å
564I92.2Very high89.1Confident11 Ų1157.5 Ų57.56%0.05630%0.301CS..  trans-114.6167.4170.762.1161.1000109M562 K568 I569 V572 G597 I599 I616 T620M562-I564 HydrophobicContact CE-CG2 3.98Å; I564-K568 HydrophobicContact CD1-CB 4.04Å; I564-I569 HydrophobicContact CD1-CG1 4.05Å; I564-V572 HydrophobicContact CD1-CG2 3.83Å; I564-G597 VanDerWaalsContact CG1-O 3.25Å; I564-G597 WeakPolarHBondContact CG1-O 3.37Å; I564-G597 PolarHBondContact N-O 3.07Å; I564-G597 WeakPolarHBondContact O-CA 3.3Å; I564-I599 HydrophobicContact CD1-CD1 3.67Å; I564-I599 HydrophobicContact CD1-CG1 4.47Å; I564-I599 HydrophobicContact CG1-CD1 3.8Å; I564-I599 HydrophobicContact CG1-CG1 4.26Å; I564-I599 HydrophobicContact CG2-CD1 4.01Å; I564-I616 HydrophobicContact CG2-CG2 4.11Å; I564-T620 HydrophobicContact CB-CG2 4.11Å; I564-T620 HydrophobicContact CD1-CG2 3.99Å; I564-T620 HydrophobicContact CG2-CG2 3.77Å
565K89.4Confident89.3Confident103 Ų10359.3 Ų59.345%0.44831%0.306SS..  trans-68.3140.2172.2-62.8-178.6174.1177.30110.3D567 K568 E622K565-D567 WeakPolarHBondContact CB-OD1 3.49Å; K565-D567 PolarHBondContact O-N 3.39Å; K565-D567 VanDerWaalsContact O-N 3.12Å; K565-K568 HydrophobicContact CB-CG 4.14Å; K565-K568 WeakPolarHBondContact O-CA 3.37Å; K565-K568 VanDerWaalsContact O-CB 3.28Å; K565-K568 WeakPolarHBondContact O-CB 3.46Å; K565-K568 PolarHBondContact O-N 2.81Å; K565-E622 WeakPolarHBondContact CE-OE2 3.44Å; K565-E622 IonicContact NZ-OE1 3.36Å; K565-E622 PolarHBondContact NZ-OE1 2.86Å; K565-E622 IonicContact NZ-OE2 3.45Å; K565-E622 PolarHBondContact NZ-OE2 3.2Å
566P89.9Confident89.2Confident77 Ų7758.3 Ų58.350%0.533%0.329SS..G310 helixtrans-54.2-34.2-179.1-2933.5000114.8K568 I569P566-K568 PolarHBondContact O-N 2.6Å; P566-I569 HydrophobicContact CB-CD1 4.45Å; P566-I569 WeakPolarHBondContact O-CB 3.19Å; P566-I569 WeakPolarHBondContact O-CD1 3.31Å; P566-I569 WeakPolarHBondContact O-CG1 3.36Å; P566-I569 PolarHBondContact O-N 3.45Å
567D88.6Confident89.2Confident106 Ų10659 Ų5957%0.56734%0.337SS*.G310 helixtrans-68.1-17.4177.865.8-57.4000113.4K565K565-D567 WeakPolarHBondContact CB-OD1 3.49Å; K565-D567 PolarHBondContact O-N 3.39Å; K565-D567 VanDerWaalsContact O-N 3.12Å
568K89.7Confident89.5Confident26 Ų2664 Ų6411%0.11336%0.356CS..G310 helixtrans-88.4-11.7178.4-62.5-60.6-175.6174.30114.7I564 K565 P566 R570 D571 V572 T620I564-K568 HydrophobicContact CD1-CB 4.04Å; K565-K568 HydrophobicContact CB-CG 4.14Å; K565-K568 WeakPolarHBondContact O-CA 3.37Å; K565-K568 VanDerWaalsContact O-CB 3.28Å; K565-K568 WeakPolarHBondContact O-CB 3.46Å; K565-K568 PolarHBondContact O-N 2.81Å; P566-K568 PolarHBondContact O-N 2.6Å; K568-R570 PolarHBondContact O-N 3.41Å; K568-D571 WeakPolarHBondContact CD-OD2 3.36Å; K568-D571 IonicContact NZ-OD2 2.84Å; K568-D571 PolarHBondContact NZ-OD2 2.86Å; K568-D571 WeakPolarHBondContact O-CB 3.23Å; K568-D571 PolarHBondContact O-N 3.39Å; K568-V572 PolarHBondContact O-N 3.25Å; K568-T620 HydrophobicContact CB-CG2 3.87Å
569I90.6Very high89.8Confident26 Ų2664.1 Ų64.113%0.13336%0.356CS..Hα-helixtrans-52.4-42.7175-67.1168.1000110.4I564 P566 D571 V572 I573 I593 E594I564-I569 HydrophobicContact CD1-CG1 4.05Å; P566-I569 HydrophobicContact CB-CD1 4.45Å; P566-I569 WeakPolarHBondContact O-CB 3.19Å; P566-I569 WeakPolarHBondContact O-CD1 3.31Å; P566-I569 WeakPolarHBondContact O-CG1 3.36Å; P566-I569 PolarHBondContact O-N 3.45Å; I569-D571 VanDerWaalsContact C-N 3.28Å; I569-D571 PolarHBondContact O-N 3.34Å; I569-V572 PolarHBondContact O-N 3.46Å; I569-I573 HydrophobicContact CG2-CD1 3.6Å; I569-I573 HydrophobicContact CG2-CG1 4.28Å; I569-I573 WeakPolarHBondContact O-CG1 3.39Å; I569-I573 PolarHBondContact O-N 2.95Å; I569-I593 HydrophobicContact CB-CG2 4.44Å; I569-I593 HydrophobicContact CD1-CG2 4.49Å; I569-I593 HydrophobicContact CG1-CG2 4.01Å; I569-I593 HydrophobicContact CG2-CG2 3.83Å; I569-E594 VanDerWaalsContact CD1-O 3.24Å; I569-E594 WeakPolarHBondContact CD1-O 3.45Å
570R89.9Confident90.1Very high193 Ų19364.1 Ų64.173%0.72836%0.355SS*.Hα-helixtrans-62.4-34.2178.5-167.6-172.270.9-177.4-1.3113K568 G574K568-R570 PolarHBondContact O-N 3.41Å; R570-G574 WeakPolarHBondContact O-CA 3.48Å; R570-G574 PolarHBondContact O-N 2.99Å
571D90.3Very high90.5Very high53 Ų5366.6 Ų66.628%0.28337%0.367SS..Hα-helixtrans-71.8-37.4-179.3-63.8-18.5000110.2K568 I569 I619K568-D571 WeakPolarHBondContact CD-OD2 3.36Å; K568-D571 IonicContact NZ-OD2 2.84Å; K568-D571 PolarHBondContact NZ-OD2 2.86Å; K568-D571 WeakPolarHBondContact O-CB 3.23Å; K568-D571 PolarHBondContact O-N 3.39Å; I569-D571 VanDerWaalsContact C-N 3.28Å; I569-D571 PolarHBondContact O-N 3.34Å; D571-I619 HydrophobicContact CB-CG2 3.97Å
572V91.6Very high90.8Very high0 Ų067.2 Ų67.20%037%0.366CS..Hα-helixtrans-70-44.5175.2-179.60000112I564 K568 I569 K579 I580 I583 I593 I616 I619 T620I564-V572 HydrophobicContact CD1-CG2 3.83Å; K568-V572 PolarHBondContact O-N 3.25Å; I569-V572 PolarHBondContact O-N 3.46Å; V572-K579 CarbonylContact O-C 3.44Å; V572-K579 WeakPolarHBondContact O-CB 3.46Å; V572-I580 PolarHBondContact O-N 3.17Å; V572-I580 VanDerWaalsContact O-N 3.15Å; V572-I583 HydrophobicContact CG1-CD1 4.38Å; V572-I593 HydrophobicContact CB-CD1 4.38Å; V572-I593 HydrophobicContact CG1-CD1 3.75Å; V572-I616 HydrophobicContact CG1-CG1 4.23Å; V572-I616 HydrophobicContact CG2-CG2 4.06Å; V572-I619 HydrophobicContact CG2-CG2 4.13Å; V572-T620 HydrophobicContact CG2-CG2 3.48Å; V572-T620 VanDerWaalsContact CG2-CG2 3.48Å
573I92.2Very high90.9Very high62 Ų6266.6 Ų66.632%0.31836%0.363SS..Hα-helixtrans-65.6-43.7176.1-64.2172.8000110.2I569 G577 K578 K579 I580 I593I569-I573 HydrophobicContact CG2-CD1 3.6Å; I569-I573 HydrophobicContact CG2-CG1 4.28Å; I569-I573 WeakPolarHBondContact O-CG1 3.39Å; I569-I573 PolarHBondContact O-N 2.95Å; I573-G577 CarbonylContact O-C 3.54Å; I573-G577 VanDerWaalsContact O-CA 3.27Å; I573-G577 WeakPolarHBondContact O-CA 3.37Å; I573-K578 PolarHBondContact O-N 2.82Å; I573-K579 PolarHBondContact O-N 2.94Å; I573-K579 VanDerWaalsContact O-N 3.11Å; I573-I580 HydrophobicContact CG2-CG2 4.37Å; I573-I580 PolarHBondContact O-N 3.3Å; I573-I593 HydrophobicContact CG1-CD1 4.19Å
574G88.8Confident91Very high10 Ų1064.3 Ų64.310%0.10335%0.346CS..  trans69.2172.2-175.400000113.6R570 G576 G577R570-G574 WeakPolarHBondContact O-CA 3.48Å; R570-G574 PolarHBondContact O-N 2.99Å; G574-G576 PolarHBondContact O-N 3.39Å; G574-G576 VanDerWaalsContact O-N 3.16Å; G574-G577 PolarHBondContact O-N 3.14Å; G574-G577 VanDerWaalsContact O-N 3.17Å
575P89.8Confident91.1Very high119 Ų11970.3 Ų70.377%0.77338%0.379SS*.G310 helixtrans-59.3120.5-180-22.733.4000111.7G577 K578P575-G577 PolarHBondContact O-N 2.93Å; P575-K578 WeakPolarHBondContact O-CB 3.45Å; P575-K578 PolarHBondContact O-N 3Å
576G87.5Confident91.3Very high89 Ų8970.6 Ų70.692%0.91838%0.381SS*.G310 helixtrans64.422.6179.700000114.8G574 K578G574-G576 PolarHBondContact O-N 3.39Å; G574-G576 VanDerWaalsContact O-N 3.16Å; G576-K578 VanDerWaalsContact C-N 3.28Å; G576-K578 PolarHBondContact O-N 2.88Å
577G88.6Confident91.5Very high15 Ų1567.3 Ų67.316%0.15536%0.36CS..G310 helixtrans77.410.7-177.300000114.2I573 G574 P575 K579 I580 N581I573-G577 CarbonylContact O-C 3.54Å; I573-G577 VanDerWaalsContact O-CA 3.27Å; I573-G577 WeakPolarHBondContact O-CA 3.37Å; G574-G577 PolarHBondContact O-N 3.14Å; G574-G577 VanDerWaalsContact O-N 3.17Å; P575-G577 PolarHBondContact O-N 2.93Å; G577-K579 VanDerWaalsContact C-N 3.34Å; G577-K579 PolarHBondContact O-N 3.09Å; G577-I580 WeakPolarHBondContact O-CG2 3.46Å; G577-N581 WeakPolarHBondContact O-CB 3.42Å; G577-N581 PolarHBondContact O-N 3.47Å; G577-N581 VanDerWaalsContact O-N 3.1Å; G577-N581 PolarHBondContact O-ND2 2.91Å; G577-N581 VanDerWaalsContact O-ND2 3.1Å
578K91.7Very high91.6Very high130 Ų13065.2 Ų65.257%0.56536%0.363SS*.Hα-helixtrans-60-41.2-175.4-177.2175.9174.1178.90113.1I573 P575 G576 E582I573-K578 PolarHBondContact O-N 2.82Å; P575-K578 WeakPolarHBondContact O-CB 3.45Å; P575-K578 PolarHBondContact O-N 3Å; G576-K578 VanDerWaalsContact C-N 3.28Å; G576-K578 PolarHBondContact O-N 2.88Å; K578-E582 WeakPolarHBondContact CE-OE1 3.4Å; K578-E582 IonicContact NZ-OE1 2.95Å; K578-E582 WeakPolarHBondContact O-CG 3.14Å; K578-E582 PolarHBondContact O-N 3.49Å
579K91.6Very high91.7Very high87 Ų8764 Ų6438%0.37836%0.358SS..Hα-helixtrans-74.9-43.5-174.1-79.4-74.7166-156.90112.1V572 I573 G577 N581 E582 I583V572-K579 CarbonylContact O-C 3.44Å; V572-K579 WeakPolarHBondContact O-CB 3.46Å; I573-K579 PolarHBondContact O-N 2.94Å; I573-K579 VanDerWaalsContact O-N 3.11Å; G577-K579 VanDerWaalsContact C-N 3.34Å; G577-K579 PolarHBondContact O-N 3.09Å; K579-N581 VanDerWaalsContact C-N 3.3Å; K579-N581 PolarHBondContact O-N 3.2Å; K579-E582 WeakPolarHBondContact CE-OE2 3.29Å; K579-E582 IonicContact NZ-OE2 3.28Å; K579-E582 PolarHBondContact NZ-OE2 3.11Å; K579-E582 PolarHBondContact O-N 2.88Å; K579-I583 WeakPolarHBondContact O-CG1 3.32Å; K579-I583 PolarHBondContact O-N 3.2Å
580I93.1Very high91.7Very high28 Ų2867.8 Ų67.814%0.14437%0.374CS..Hα-helixtrans-61.4-40.9175-170.5172.4000111.2V572 I573 G577 I583 I584 L591 I593V572-I580 PolarHBondContact O-N 3.17Å; V572-I580 VanDerWaalsContact O-N 3.15Å; I573-I580 HydrophobicContact CG2-CG2 4.37Å; I573-I580 PolarHBondContact O-N 3.3Å; G577-I580 WeakPolarHBondContact O-CG2 3.46Å; I580-I583 PolarHBondContact O-N 3.35Å; I580-I584 HydrophobicContact CG1-CD1 3.93Å; I580-I584 VanDerWaalsContact O-CG1 3.28Å; I580-I584 WeakPolarHBondContact O-CG1 3.42Å; I580-I584 PolarHBondContact O-N 2.91Å; I580-L591 HydrophobicContact CD1-CB 4.21Å; I580-L591 HydrophobicContact CD1-CD1 4.46Å; I580-L591 HydrophobicContact CG1-CB 4.36Å; I580-L591 HydrophobicContact CG1-CD1 3.81Å; I580-I593 HydrophobicContact CD1-CD1 3.92Å
581N93.1Very high91.7Very high82 Ų8259.9 Ų59.944%0.43935%0.346SS..Hα-helixtrans-65.8-40.1175.3-69-25.4000112.3G577 K579 I583 I584 D585G577-N581 WeakPolarHBondContact O-CB 3.42Å; G577-N581 PolarHBondContact O-N 3.47Å; G577-N581 VanDerWaalsContact O-N 3.1Å; G577-N581 PolarHBondContact O-ND2 2.91Å; G577-N581 VanDerWaalsContact O-ND2 3.1Å; K579-N581 VanDerWaalsContact C-N 3.3Å; K579-N581 PolarHBondContact O-N 3.2Å; N581-I583 VanDerWaalsContact C-N 3.31Å; N581-I583 PolarHBondContact O-N 2.66Å; N581-I584 PolarHBondContact O-N 2.89Å; N581-D585 VanDerWaalsContact O-CB 3.27Å; N581-D585 WeakPolarHBondContact O-CB 3.29Å; N581-D585 PolarHBondContact O-N 2.93Å
582E94.5Very high91.6Very high75 Ų7559.8 Ų59.835%0.3535%0.345SS..Hα-helixtrans-58.5-41.3173.4-78171.3-174.900111.9K578 K579 E586K578-E582 WeakPolarHBondContact CE-OE1 3.4Å; K578-E582 IonicContact NZ-OE1 2.95Å; K578-E582 WeakPolarHBondContact O-CG 3.14Å; K578-E582 PolarHBondContact O-N 3.49Å; K579-E582 WeakPolarHBondContact CE-OE2 3.29Å; K579-E582 IonicContact NZ-OE2 3.28Å; K579-E582 PolarHBondContact NZ-OE2 3.11Å; K579-E582 PolarHBondContact O-N 2.88Å; E582-E586 VanDerWaalsContact O-CB 3.31Å; E582-E586 WeakPolarHBondContact O-CB 3.21Å; E582-E586 PolarHBondContact O-N 2.93Å
583I93.9Very high91.5Very high4 Ų461.4 Ų61.42%0.02135%0.353CS..Hα-helixtrans-65.8-47.5177.1-61.2162.1000110.4V572 K579 I580 N581 E586 T587 L591 A612 I615 I616 I619V572-I583 HydrophobicContact CG1-CD1 4.38Å; K579-I583 WeakPolarHBondContact O-CG1 3.32Å; K579-I583 PolarHBondContact O-N 3.2Å; I580-I583 PolarHBondContact O-N 3.35Å; N581-I583 VanDerWaalsContact C-N 3.31Å; N581-I583 PolarHBondContact O-N 2.66Å; I583-E586 PolarHBondContact O-N 2.95Å; I583-T587 WeakPolarHBondContact O-CB 3.23Å; I583-T587 WeakPolarHBondContact O-CG2 3.26Å; I583-T587 PolarHBondContact O-N 3.42Å; I583-T587 PolarHBondContact O-OG1 3.29Å; I583-L591 HydrophobicContact CB-CD1 4.16Å; I583-L591 HydrophobicContact CG2-CD1 3.83Å; I583-A612 HydrophobicContact CG2-CB 3.97Å; I583-I615 HydrophobicContact CD1-CG2 4.15Å; I583-I615 HydrophobicContact CG1-CG2 3.77Å; I583-I616 HydrophobicContact CD1-CG1 4.03Å; I583-I619 HydrophobicContact CD1-CD1 3.92Å
584I93.7Very high91.4Very high54 Ų5462.2 Ų62.228%0.27736%0.356SS..Hα-helixtrans-62.3-43.5179.3-67.7167.5000110.5I580 N581 G588 L591I580-I584 HydrophobicContact CG1-CD1 3.93Å; I580-I584 VanDerWaalsContact O-CG1 3.28Å; I580-I584 WeakPolarHBondContact O-CG1 3.42Å; I580-I584 PolarHBondContact O-N 2.91Å; N581-I584 PolarHBondContact O-N 2.89Å; I584-G588 WeakPolarHBondContact O-CA 3.29Å; I584-G588 PolarHBondContact O-N 3.27Å; I584-L591 HydrophobicContact CG1-CD1 4.13Å; I584-L591 HydrophobicContact CG1-CG 4.32Å
585D94.1Very high91.4Very high138 Ų13870.4 Ų70.474%0.73839%0.392SS*.Hα-helixtrans-67-37179.2-71.7-19.9000112N581N581-D585 VanDerWaalsContact O-CB 3.27Å; N581-D585 WeakPolarHBondContact O-CB 3.29Å; N581-D585 PolarHBondContact O-N 2.93Å
586E94.2Very high91.5Very high108 Ų10869.5 Ų69.551%0.50538%0.38SS..Hα-helixtrans-72.3-39.3178.1-179.2176.8154.100112.5E582 I583 R611E582-E586 VanDerWaalsContact O-CB 3.31Å; E582-E586 WeakPolarHBondContact O-CB 3.21Å; E582-E586 PolarHBondContact O-N 2.93Å; I583-E586 PolarHBondContact O-N 2.95Å; E586-R611 IonicContact OE1-CZ 2.72Å; E586-R611 IonicContact OE1-NE 2.81Å; E586-R611 PolarHBondContact OE1-NE 3.38Å; E586-R611 IonicContact OE1-NH2 2.83Å; E586-R611 PolarHBondContact OE1-NH2 3.44Å
587T93.6Very high91.6Very high8 Ų865.3 Ų65.35%0.04934%0.337CS..Hα-helixtrans-110.1-18-166.864.40000113.7I583 V589 M608 R611 A612 I615I583-T587 WeakPolarHBondContact O-CB 3.23Å; I583-T587 WeakPolarHBondContact O-CG2 3.26Å; I583-T587 PolarHBondContact O-N 3.42Å; I583-T587 PolarHBondContact O-OG1 3.29Å; T587-V589 PolarHBondContact O-N 3.42Å; T587-V589 WeakPolarHBondContact OG1-CG1 3.43Å; T587-V589 VanDerWaalsContact OG1-CG2 3.31Å; T587-V589 WeakPolarHBondContact OG1-CG2 3.34Å; T587-M608 VanDerWaalsContact O-CB 3.24Å; T587-M608 WeakPolarHBondContact O-CB 3.27Å; T587-M608 VanDerWaalsContact O-CG 3.31Å; T587-M608 WeakPolarHBondContact O-CG 3.38Å; T587-R611 HydrophobicContact CG2-CB 4.22Å; T587-R611 HydrophobicContact CG2-CG 3.81Å; T587-A612 HydrophobicContact CG2-CB 4.08Å; T587-I615 HydrophobicContact CG2-CD1 4.11Å
588G90.6Very high91.8Very high62 Ų6265.6 Ų65.664%0.63934%0.336SS*.  trans66.213.1-175.200000114.3I584I584-G588 WeakPolarHBondContact O-CA 3.29Å; I584-G588 PolarHBondContact O-N 3.27Å
589V92.4Very high91.8Very high2 Ų259.4 Ų59.41%0.01231%0.309CS..  trans-79.4155.4178.4-50.10000111.2T587 L591 I601 G602 A603 M608 A612T587-V589 PolarHBondContact O-N 3.42Å; T587-V589 WeakPolarHBondContact OG1-CG1 3.43Å; T587-V589 VanDerWaalsContact OG1-CG2 3.31Å; T587-V589 WeakPolarHBondContact OG1-CG2 3.34Å; V589-L591 HydrophobicContact CG2-CD2 3.86Å; V589-L591 HydrophobicContact CG2-CG 3.84Å; V589-I601 HydrophobicContact CB-CG2 4.06Å; V589-I601 HydrophobicContact CG1-CG2 4.15Å; V589-I601 HydrophobicContact CG2-CG2 3.95Å; V589-G602 WeakPolarHBondContact CA-O 3.27Å; V589-A603 HydrophobicContact CB-CB 4.17Å; V589-A603 HydrophobicContact CG1-CB 3.8Å; V589-M608 HydrophobicContact CG1-CB 4.13Å; V589-A612 HydrophobicContact CG1-CB 4.06Å; V589-A612 HydrophobicContact CG2-CB 3.81Å
590K89.7Confident91.8Very high105 Ų10556.1 Ų56.146%0.45730%0.295SS..EExtended strand (participates in β ladder)trans-88.2131.2161.2-69.5-174174-169.70108.6A362 D365 G602A362-K590 HydrophobicContact CB-CB 4.37Å; A362-K590 HydrophobicContact CB-CD 3.44Å; A362-K590 VanDerWaalsContact CB-CD 3.44Å; D365-K590 IonicContact OD1-NZ 3.77Å; D365-K590 PolarHBondContact OD1-NZ 3.1Å; D365-K590 IonicContact OD2-NZ 2.71Å; D365-K590 PolarHBondContact OD2-NZ 3.32Å; K590-G602 PolarHBondContact N-O 2.86Å; K590-G602 PolarHBondContact O-N 2.83Å
591L90Very high91.7Very high27 Ų2754.8 Ų54.814%0.14129%0.288CS..EExtended strand (participates in β ladder)trans-114129175.6-68.3175.8000109.5I580 I583 I584 V589 I599 F600 I601 I616I580-L591 HydrophobicContact CD1-CB 4.21Å; I580-L591 HydrophobicContact CD1-CD1 4.46Å; I580-L591 HydrophobicContact CG1-CB 4.36Å; I580-L591 HydrophobicContact CG1-CD1 3.81Å; I583-L591 HydrophobicContact CB-CD1 4.16Å; I583-L591 HydrophobicContact CG2-CD1 3.83Å; I584-L591 HydrophobicContact CG1-CD1 4.13Å; I584-L591 HydrophobicContact CG1-CG 4.32Å; V589-L591 HydrophobicContact CG2-CD2 3.86Å; V589-L591 HydrophobicContact CG2-CG 3.84Å; L591-I599 HydrophobicContact CD2-CG2 4.29Å; L591-F600 WeakPolarHBondContact CA-O 3.35Å; L591-I601 HydrophobicContact CD2-CB 4.12Å; L591-I601 HydrophobicContact CD2-CD1 4.44Å; L591-I601 HydrophobicContact CD2-CG1 3.69Å; L591-I601 HydrophobicContact CD2-CG2 3.94Å; L591-I616 HydrophobicContact CD1-CD1 4.45Å; L591-I616 HydrophobicContact CD2-CD1 3.99Å
592D88.6Confident91.5Very high51 Ų5151.3 Ų51.327%0.27327%0.271SS..EExtended strand (participates in β ladder)trans-119.1132.2167.7-147.9-31.6000108.5I599 F600D592-I599 CarbonylContact O-C 3.49Å; D592-I599 VanDerWaalsContact O-CA 3.3Å; D592-I599 WeakPolarHBondContact O-CA 3.49Å; D592-F600 HydrophobicContact CB-CB 4.13Å; D592-F600 HydrophobicContact CB-CD2 4.26Å; D592-F600 PolarHBondContact N-O 2.93Å; D592-F600 PolarHBondContact O-N 2.85Å
593I90.3Very high91.1Very high33 Ų3348.3 Ų48.317%0.16926%0.259CS..EExtended strand (participates in β ladder)trans-128.9111.5-174.1-53.7178.7000109I569 V572 I573 I580 I599I569-I593 HydrophobicContact CB-CG2 4.44Å; I569-I593 HydrophobicContact CD1-CG2 4.49Å; I569-I593 HydrophobicContact CG1-CG2 4.01Å; I569-I593 HydrophobicContact CG2-CG2 3.83Å; V572-I593 HydrophobicContact CB-CD1 4.38Å; V572-I593 HydrophobicContact CG1-CD1 3.75Å; I573-I593 HydrophobicContact CG1-CD1 4.19Å; I580-I593 HydrophobicContact CD1-CD1 3.92Å; I593-I599 HydrophobicContact CB-CG1 4.45Å; I593-I599 HydrophobicContact CD1-CD1 4.5Å; I593-I599 HydrophobicContact CG1-CD1 4.41Å; I593-I599 HydrophobicContact CG1-CG1 4.08Å; I593-I599 HydrophobicContact CG1-CG2 4.2Å; I593-I599 HydrophobicContact CG2-CG1 4.04Å
594E89.6Confident90.6Very high80 Ų8052 Ų5237%0.37428%0.282SS..  trans-79.1157.3177.7-63.1-59.615800112.2I569 D596 G597 T598 F600I569-E594 VanDerWaalsContact CD1-O 3.24Å; I569-E594 WeakPolarHBondContact CD1-O 3.45Å; E594-D596 VanDerWaalsContact CB-OD1 3.24Å; E594-D596 WeakPolarHBondContact CB-OD1 3.46Å; E594-D596 PolarHBondContact O-N 3.49Å; E594-G597 PolarHBondContact O-N 3.41Å; E594-G597 VanDerWaalsContact O-N 3.08Å; E594-T598 WeakPolarHBondContact CB-O 3.35Å; E594-T598 PolarHBondContact N-O 3.48Å; E594-F600 HydrophobicContact CG-CD2 4.44Å; E594-F600 HydrophobicContact CG-CE2 3.83Å
595Q89.8Confident90.3Very high182 Ų18253.5 Ų53.585%0.8529%0.29SS*.THydrogen-bonded Turntrans-67.2-22.8-178.9-62.8-171.824.700113.5G597Q595-G597 PolarHBondContact O-N 2.82Å
596D91.6Very high89.9Confident100 Ų10050 Ų5054%0.53527%0.269SS..THydrogen-bonded Turntrans-80.4-2.2175.972.5-8.8000113.1E594 T598E594-D596 VanDerWaalsContact CB-OD1 3.24Å; E594-D596 WeakPolarHBondContact CB-OD1 3.46Å; E594-D596 PolarHBondContact O-N 3.49Å; D596-T598 WeakPolarHBondContact OD1-CB 3.48Å; D596-T598 PolarHBondContact OD1-N 3.48Å; D596-T598 PolarHBondContact OD1-OG1 2.93Å; D596-T598 PolarHBondContact OD2-OG1 2.85Å
597G89.7Confident89.7Confident0 Ų047.3 Ų47.30%027%0.266CS..SBendtrans90.54.3-178.400000114.2T563 I564 E594 Q595T563-G597 WeakPolarHBondContact CA-O 3.33Å; I564-G597 VanDerWaalsContact CG1-O 3.25Å; I564-G597 WeakPolarHBondContact CG1-O 3.37Å; I564-G597 PolarHBondContact N-O 3.07Å; I564-G597 WeakPolarHBondContact O-CA 3.3Å; E594-G597 PolarHBondContact O-N 3.41Å; E594-G597 VanDerWaalsContact O-N 3.08Å; Q595-G597 PolarHBondContact O-N 2.82Å
598T91.8Very high89.7Confident22 Ų2250 Ų5014%0.13528%0.278CS..EExtended strand (participates in β ladder)trans-68.8131.7170.1-57.30000109.9T561 E594 D596 F600T561-T598 HydrophobicContact CG2-CG2 3.51Å; E594-T598 WeakPolarHBondContact CB-O 3.35Å; E594-T598 PolarHBondContact N-O 3.48Å; D596-T598 WeakPolarHBondContact OD1-CB 3.48Å; D596-T598 PolarHBondContact OD1-N 3.48Å; D596-T598 PolarHBondContact OD1-OG1 2.93Å; D596-T598 PolarHBondContact OD2-OG1 2.85Å; T598-F600 HydrophobicContact CG2-CD2 4.47Å; T598-F600 HydrophobicContact CG2-CE1 4.23Å; T598-F600 HydrophobicContact CG2-CE2 3.87Å; T598-F600 HydrophobicContact CG2-CZ 3.73Å
599I92.3Very high89.7Confident0 Ų047 Ų470%025%0.248CC..EExtended strand (participates in β ladder)trans-122.7125.7178-57.6-179.8000108.8T561 M562 I564 L591 D592 I593 I601 I616T561-I599 WeakPolarHBondContact CA-O 3.44Å; M562-I599 HydrophobicContact CG-CB 3.92Å; M562-I599 PolarHBondContact N-O 2.82Å; M562-I599 PolarHBondContact O-N 3.45Å; I564-I599 HydrophobicContact CD1-CD1 3.67Å; I564-I599 HydrophobicContact CD1-CG1 4.47Å; I564-I599 HydrophobicContact CG1-CD1 3.8Å; I564-I599 HydrophobicContact CG1-CG1 4.26Å; I564-I599 HydrophobicContact CG2-CD1 4.01Å; L591-I599 HydrophobicContact CD2-CG2 4.29Å; D592-I599 CarbonylContact O-C 3.49Å; D592-I599 VanDerWaalsContact O-CA 3.3Å; D592-I599 WeakPolarHBondContact O-CA 3.49Å; I593-I599 HydrophobicContact CB-CG1 4.45Å; I593-I599 HydrophobicContact CD1-CD1 4.5Å; I593-I599 HydrophobicContact CG1-CD1 4.41Å; I593-I599 HydrophobicContact CG1-CG1 4.08Å; I593-I599 HydrophobicContact CG1-CG2 4.2Å; I593-I599 HydrophobicContact CG2-CG1 4.04Å; I599-I601 HydrophobicContact CG2-CG1 3.93Å; I599-I616 HydrophobicContact CD1-CG2 3.81Å; I599-I616 HydrophobicContact CG2-CD1 4.26Å
600F90.5Very high89.8Confident18 Ų1850.2 Ų50.28%0.07927%0.265CS..EExtended strand (participates in β ladder)trans-100.6120.4171.7-58.3-79.7000109.9L363 T422 P426 V559 T561 L591 D592 E594 T598L363-F600 HydrophobicContact CD1-CB 4.36Å; L363-F600 HydrophobicContact CD1-CD1 4.1Å; L363-F600 HydrophobicContact CD1-CD2 3.44Å; L363-F600 VanDerWaalsContact CD1-CD2 3.44Å; L363-F600 HydrophobicContact CD1-CE1 4.22Å; L363-F600 HydrophobicContact CD1-CE2 3.58Å; L363-F600 HydrophobicContact CD1-CG 3.7Å; L363-F600 HydrophobicContact CD1-CZ 3.97Å; T422-F600 HydrophobicContact CG2-CZ 4.36Å; P426-F600 HydrophobicContact CB-CD1 3.53Å; P426-F600 HydrophobicContact CB-CE1 3.48Å; P426-F600 VanDerWaalsContact CB-CE1 3.48Å; P426-F600 HydrophobicContact CB-CG 4.46Å; P426-F600 HydrophobicContact CB-CZ 4.37Å; P426-F600 HydrophobicContact CG-CD1 4.07Å; P426-F600 HydrophobicContact CG-CE1 4.17Å; V559-F600 HydrophobicContact CG1-CB 4.05Å; V559-F600 HydrophobicContact CG1-CD1 4.07Å; T561-F600 HydrophobicContact CG2-CD1 4.04Å; T561-F600 HydrophobicContact CG2-CE1 3.79Å; T561-F600 HydrophobicContact CG2-CZ 4.48Å; T561-F600 WeakPolarHBondContact OG1-CD1 3.46Å; T561-F600 WeakPolarHBondContact OG1-CE1 3.47Å; L591-F600 WeakPolarHBondContact CA-O 3.35Å; D592-F600 HydrophobicContact CB-CB 4.13Å; D592-F600 HydrophobicContact CB-CD2 4.26Å; D592-F600 PolarHBondContact N-O 2.93Å; D592-F600 PolarHBondContact O-N 2.85Å; E594-F600 HydrophobicContact CG-CD2 4.44Å; E594-F600 HydrophobicContact CG-CE2 3.83Å; T598-F600 HydrophobicContact CG2-CD2 4.47Å; T598-F600 HydrophobicContact CG2-CE1 4.23Å; T598-F600 HydrophobicContact CG2-CE2 3.87Å; T598-F600 HydrophobicContact CG2-CZ 3.73Å
601I91.3Very high90Very high0 Ų049.3 Ų49.30%026%0.259CS..EExtended strand (participates in β ladder)trans-110.3104.6-179.5-49.2179.8000108.5V559 V560 M562 V589 L591 I599 I609 A612 R613 I616V559-I601 WeakPolarHBondContact CA-O 3.48Å; V560-I601 PolarHBondContact N-O 3.49Å; V560-I601 PolarHBondContact O-N 2.74Å; M562-I601 HydrophobicContact CG-CD1 4.32Å; M562-I601 HydrophobicContact SD-CD1 3.8Å; V589-I601 HydrophobicContact CB-CG2 4.06Å; V589-I601 HydrophobicContact CG1-CG2 4.15Å; V589-I601 HydrophobicContact CG2-CG2 3.95Å; L591-I601 HydrophobicContact CD2-CB 4.12Å; L591-I601 HydrophobicContact CD2-CD1 4.44Å; L591-I601 HydrophobicContact CD2-CG1 3.69Å; L591-I601 HydrophobicContact CD2-CG2 3.94Å; I599-I601 HydrophobicContact CG2-CG1 3.93Å; I601-I609 HydrophobicContact CB-CG2 4.23Å; I601-I609 HydrophobicContact CG2-CB 4.36Å; I601-I609 HydrophobicContact CG2-CG1 4.4Å; I601-I609 HydrophobicContact CG2-CG2 3.93Å; I601-A612 HydrophobicContact CG2-CB 3.83Å; I601-R613 HydrophobicContact CD1-CB 3.89Å; I601-I616 HydrophobicContact CD1-CD1 3.81Å; I601-I616 HydrophobicContact CG1-CD1 4.38Å
602G88.7Confident90.2Very high8 Ų848 Ų488%0.08225%0.252CS..EExtended strand (participates in β ladder)trans-108.8122.9-174.600000113.7K558 V589 K590K558-G602 CarbonylContact O-C 3.45Å; K558-G602 VanDerWaalsContact O-CA 3.27Å; K558-G602 WeakPolarHBondContact O-CA 3.34Å; V589-G602 WeakPolarHBondContact CA-O 3.27Å; K590-G602 PolarHBondContact N-O 2.86Å; K590-G602 PolarHBondContact O-N 2.83Å
603A86.9Confident90.5Very high13 Ų1350.3 Ų50.311%0.10726%0.257CS..EExtended strand (participates in β ladder)trans-158.2164.1167.200000112.2K558 V589 I609K558-A603 PolarHBondContact N-O 2.87Å; K558-A603 PolarHBondContact O-N 2.91Å; V589-A603 HydrophobicContact CB-CB 4.17Å; V589-A603 HydrophobicContact CG1-CB 3.8Å; A603-I609 HydrophobicContact CB-CD1 4.28Å; A603-I609 HydrophobicContact CB-CG1 3.83Å
604V84.2Confident90.6Very high82 Ų8253.5 Ų53.550%0.49727%0.271SS..SBendtrans-72.6-35173-179.10000111
605D87.2Confident90.8Very high85 Ų8550.6 Ų50.646%0.45526%0.258SS..  trans-88.9114.5-179.1-171.4-11.8000112.1A607 M608 I609D605-A607 VanDerWaalsContact C-N 3.26Å; D605-A607 PolarHBondContact O-N 3.03Å; D605-A607 WeakPolarHBondContact OD1-CB 3.48Å; D605-A607 PolarHBondContact OD1-N 3.41Å; D605-M608 HydrophobicContact CB-CB 4.24Å; D605-M608 HydrophobicContact CB-CG 4Å; D605-M608 PolarHBondContact O-N 2.77Å; D605-I609 PolarHBondContact O-N 2.97Å
606Q85.9Confident90.9Very high63 Ų6341.9 Ų41.929%0.29422%0.217SC..Hα-helixtrans-61.2-32.7177.2-172.664.358.300113K558 M608 I609 N610K558-Q606 HydrophobicContact CD-CB 4.3Å; Q606-M608 VanDerWaalsContact C-N 3.32Å; Q606-I609 PolarHBondContact O-N 3.33Å; Q606-N610 PolarHBondContact NE2-OD1 3.41Å; Q606-N610 VanDerWaalsContact NE2-OD1 3.07Å; Q606-N610 VanDerWaalsContact O-CG 3.26Å; Q606-N610 PolarHBondContact O-N 3.47Å; Q606-N610 PolarHBondContact O-OD1 3.33Å
607A90.3Very high91Very high53 Ų5341 Ų4144%0.43821%0.21SC..Hα-helixtrans-66.3-38.5179.300000111D605 N610 R611D605-A607 VanDerWaalsContact C-N 3.26Å; D605-A607 PolarHBondContact O-N 3.03Å; D605-A607 WeakPolarHBondContact OD1-CB 3.48Å; D605-A607 PolarHBondContact OD1-N 3.41Å; A607-N610 PolarHBondContact O-N 3.16Å; A607-R611 WeakPolarHBondContact O-CB 3.5Å; A607-R611 PolarHBondContact O-N 2.95Å
608M93.3Very high90.9Very high63 Ų6345.8 Ų45.831%0.3123%0.232SC..Hα-helixtrans-70-35.5176.6-65.8-55.196.100112.4T587 V589 D605 Q606 R611 A612T587-M608 VanDerWaalsContact O-CB 3.24Å; T587-M608 WeakPolarHBondContact O-CB 3.27Å; T587-M608 VanDerWaalsContact O-CG 3.31Å; T587-M608 WeakPolarHBondContact O-CG 3.38Å; V589-M608 HydrophobicContact CG1-CB 4.13Å; D605-M608 HydrophobicContact CB-CB 4.24Å; D605-M608 HydrophobicContact CB-CG 4Å; D605-M608 PolarHBondContact O-N 2.77Å; Q606-M608 VanDerWaalsContact C-N 3.32Å; M608-R611 PolarHBondContact O-N 3.03Å; M608-A612 WeakPolarHBondContact O-CB 3.22Å; M608-A612 PolarHBondContact O-N 2.83Å
609I90.7Very high90.7Very high0 Ų046.9 Ų46.90%024%0.237CC..Hα-helixtrans-61.3-49.1172.2-65.7171.2000110.8K558 V560 I601 A603 D605 Q606 R611 A612 R613K558-I609 HydrophobicContact CB-CD1 3.6Å; K558-I609 WeakPolarHBondContact O-CD1 3.39Å; V560-I609 HydrophobicContact CB-CG2 3.61Å; V560-I609 HydrophobicContact CG2-CG2 3.49Å; V560-I609 VanDerWaalsContact CG2-CG2 3.49Å; I601-I609 HydrophobicContact CB-CG2 4.23Å; I601-I609 HydrophobicContact CG2-CB 4.36Å; I601-I609 HydrophobicContact CG2-CG1 4.4Å; I601-I609 HydrophobicContact CG2-CG2 3.93Å; A603-I609 HydrophobicContact CB-CD1 4.28Å; A603-I609 HydrophobicContact CB-CG1 3.83Å; D605-I609 PolarHBondContact O-N 2.97Å; Q606-I609 PolarHBondContact O-N 3.33Å; I609-R611 VanDerWaalsContact C-N 3.26Å; I609-R611 PolarHBondContact O-N 3.12Å; I609-A612 PolarHBondContact O-N 3.27Å; I609-R613 WeakPolarHBondContact O-CB 3.36Å; I609-R613 PolarHBondContact O-N 3.08Å
610N92.9Very high90.5Very high70 Ų7047.9 Ų47.937%0.37424%0.243SC..Hα-helixtrans-61.1-40178.8-66.8-9.6000110.8Q606 A607 R613 E614Q606-N610 PolarHBondContact NE2-OD1 3.41Å; Q606-N610 VanDerWaalsContact NE2-OD1 3.07Å; Q606-N610 VanDerWaalsContact O-CG 3.26Å; Q606-N610 PolarHBondContact O-N 3.47Å; Q606-N610 PolarHBondContact O-OD1 3.33Å; A607-N610 PolarHBondContact O-N 3.16Å; N610-R613 WeakPolarHBondContact O-CB 3.24Å; N610-R613 PolarHBondContact O-N 3.39Å; N610-E614 WeakPolarHBondContact O-CG 3.26Å; N610-E614 PolarHBondContact O-N 3.04Å
611R94.4Very high90.3Very high85 Ų8552.8 Ų52.832%0.32126%0.261SS..Hα-helixtrans-62.6-46.8176-179.859.7-175.7149.98.1112.4E586 T587 A607 M608 I609 R613 E614 I615E586-R611 IonicContact OE1-CZ 2.72Å; E586-R611 IonicContact OE1-NE 2.81Å; E586-R611 PolarHBondContact OE1-NE 3.38Å; E586-R611 IonicContact OE1-NH2 2.83Å; E586-R611 PolarHBondContact OE1-NH2 3.44Å; T587-R611 HydrophobicContact CG2-CB 4.22Å; T587-R611 HydrophobicContact CG2-CG 3.81Å; A607-R611 WeakPolarHBondContact O-CB 3.5Å; A607-R611 PolarHBondContact O-N 2.95Å; M608-R611 PolarHBondContact O-N 3.03Å; I609-R611 VanDerWaalsContact C-N 3.26Å; I609-R611 PolarHBondContact O-N 3.12Å; R611-R613 VanDerWaalsContact C-N 3.3Å; R611-R613 PolarHBondContact O-N 3.32Å; R611-E614 IonicContact NH1-OE2 3.88Å; R611-E614 PolarHBondContact O-N 3.42Å; R611-I615 HydrophobicContact CG-CD1 4.13Å; R611-I615 VanDerWaalsContact O-CG1 3.29Å; R611-I615 WeakPolarHBondContact O-CG1 3.32Å; R611-I615 PolarHBondContact O-N 3.22Å
612A94.2Very high89.8Confident0 Ų056.4 Ų56.40%028%0.278CS..Hα-helixtrans-61-42.3176.600000111.4I583 T587 V589 I601 M608 I609 I615 I616I583-A612 HydrophobicContact CG2-CB 3.97Å; T587-A612 HydrophobicContact CG2-CB 4.08Å; V589-A612 HydrophobicContact CG1-CB 4.06Å; V589-A612 HydrophobicContact CG2-CB 3.81Å; I601-A612 HydrophobicContact CG2-CB 3.83Å; M608-A612 WeakPolarHBondContact O-CB 3.22Å; M608-A612 PolarHBondContact O-N 2.83Å; I609-A612 PolarHBondContact O-N 3.27Å; A612-I615 PolarHBondContact O-N 2.98Å; A612-I616 VanDerWaalsContact O-CG1 3.27Å; A612-I616 WeakPolarHBondContact O-CG1 3.33Å; A612-I616 PolarHBondContact O-N 3.43Å
613R94.2Very high89.4Confident100 Ų10056.2 Ų56.238%0.37728%0.276SS..Hα-helixtrans-59.8-48.2175.1179.2176.4171.1166.11.8112.1M562 I601 I609 N610 R611 I615 I616 E617M562-R613 HydrophobicContact CE-CG 4.48Å; M562-R613 HydrophobicContact SD-CB 4.44Å; M562-R613 HydrophobicContact SD-CG 3.91Å; I601-R613 HydrophobicContact CD1-CB 3.89Å; I609-R613 WeakPolarHBondContact O-CB 3.36Å; I609-R613 PolarHBondContact O-N 3.08Å; N610-R613 WeakPolarHBondContact O-CB 3.24Å; N610-R613 PolarHBondContact O-N 3.39Å; R611-R613 VanDerWaalsContact C-N 3.3Å; R611-R613 PolarHBondContact O-N 3.32Å; R613-I615 VanDerWaalsContact C-N 3.32Å; R613-I615 PolarHBondContact O-N 3.47Å; R613-I616 PolarHBondContact O-N 3.13Å; R613-E617 HydrophobicContact CG-CG 4.32Å; R613-E617 IonicContact CZ-OE1 3.37Å; R613-E617 IonicContact NE-OE1 2.66Å; R613-E617 PolarHBondContact NE-OE1 3.43Å; R613-E617 IonicContact NH2-OE1 3.15Å; R613-E617 PolarHBondContact NH2-OE1 3.14Å; R613-E617 WeakPolarHBondContact O-CB 3.31Å; R613-E617 WeakPolarHBondContact O-CG 3.31Å; R613-E617 PolarHBondContact O-N 3.27Å
614E93.3Very high89.3Confident100 Ų10061.6 Ų61.647%0.46730%0.298SS..Hα-helixtrans-57.1-44.9176.3-74.9169.7-173.600111.7N610 R611 I616 E617 E618N610-E614 WeakPolarHBondContact O-CG 3.26Å; N610-E614 PolarHBondContact O-N 3.04Å; R611-E614 IonicContact NH1-OE2 3.88Å; R611-E614 PolarHBondContact O-N 3.42Å; E614-I616 VanDerWaalsContact C-N 3.34Å; E614-I616 PolarHBondContact O-N 3.45Å; E614-E617 PolarHBondContact O-N 2.86Å; E614-E618 WeakPolarHBondContact O-CB 3.47Å; E614-E618 WeakPolarHBondContact O-CG 3.36Å; E614-E618 PolarHBondContact O-N 2.97Å
615I93.1Very high89.3Confident18 Ų1861.9 Ų61.99%0.09230%0.3CS..Hα-helixtrans-62.5-43.1178.2-63162.2000110.7I583 T587 R611 A612 R613 E618 I619I583-I615 HydrophobicContact CD1-CG2 4.15Å; I583-I615 HydrophobicContact CG1-CG2 3.77Å; T587-I615 HydrophobicContact CG2-CD1 4.11Å; R611-I615 HydrophobicContact CG-CD1 4.13Å; R611-I615 VanDerWaalsContact O-CG1 3.29Å; R611-I615 WeakPolarHBondContact O-CG1 3.32Å; R611-I615 PolarHBondContact O-N 3.22Å; A612-I615 PolarHBondContact O-N 2.98Å; R613-I615 VanDerWaalsContact C-N 3.32Å; R613-I615 PolarHBondContact O-N 3.47Å; I615-E618 PolarHBondContact O-N 2.78Å; I615-I619 HydrophobicContact CG2-CD1 3.81Å; I615-I619 HydrophobicContact CG2-CG1 4.46Å; I615-I619 VanDerWaalsContact O-CG1 3.24Å; I615-I619 WeakPolarHBondContact O-CG1 3.21Å; I615-I619 PolarHBondContact O-N 2.83Å
616I93.3Very high89.3Confident0 Ų059.7 Ų59.70%030%0.298CS..Hα-helixtrans-66.7-42.5178.3-66.7164.5000110.7M562 I564 V572 I583 L591 I599 I601 A612 R613 E614 E618 I619 T620M562-I616 HydrophobicContact CE-CB 4.26Å; M562-I616 HydrophobicContact CE-CG2 3.67Å; M562-I616 HydrophobicContact SD-CB 4.04Å; M562-I616 HydrophobicContact SD-CD1 4.35Å; M562-I616 HydrophobicContact SD-CG2 3.74Å; I564-I616 HydrophobicContact CG2-CG2 4.11Å; V572-I616 HydrophobicContact CG1-CG1 4.23Å; V572-I616 HydrophobicContact CG2-CG2 4.06Å; I583-I616 HydrophobicContact CD1-CG1 4.03Å; L591-I616 HydrophobicContact CD1-CD1 4.45Å; L591-I616 HydrophobicContact CD2-CD1 3.99Å; I599-I616 HydrophobicContact CD1-CG2 3.81Å; I599-I616 HydrophobicContact CG2-CD1 4.26Å; I601-I616 HydrophobicContact CD1-CD1 3.81Å; I601-I616 HydrophobicContact CG1-CD1 4.38Å; A612-I616 VanDerWaalsContact O-CG1 3.27Å; A612-I616 WeakPolarHBondContact O-CG1 3.33Å; A612-I616 PolarHBondContact O-N 3.43Å; R613-I616 PolarHBondContact O-N 3.13Å; E614-I616 VanDerWaalsContact C-N 3.34Å; E614-I616 PolarHBondContact O-N 3.45Å; I616-E618 VanDerWaalsContact C-N 3.3Å; I616-E618 PolarHBondContact O-N 2.94Å; I616-I619 PolarHBondContact O-N 3.16Å; I616-T620 HydrophobicContact CG2-CG2 4.33Å; I616-T620 WeakPolarHBondContact O-CB 3.49Å; I616-T620 WeakPolarHBondContact O-CG2 3.35Å; I616-T620 PolarHBondContact O-N 3.28Å; I616-T620 PolarHBondContact O-OG1 2.87Å
617E92.3Very high89.4Confident82 Ų8260.4 Ų60.438%0.38330%0.301SS..Hα-helixtrans-61.1-39.1174.8-74178177.800111.1M562 R613 E614 R621M562-E617 HydrophobicContact CE-CG 3.68Å; R613-E617 HydrophobicContact CG-CG 4.32Å; R613-E617 IonicContact CZ-OE1 3.37Å; R613-E617 IonicContact NE-OE1 2.66Å; R613-E617 PolarHBondContact NE-OE1 3.43Å; R613-E617 IonicContact NH2-OE1 3.15Å; R613-E617 PolarHBondContact NH2-OE1 3.14Å; R613-E617 WeakPolarHBondContact O-CB 3.31Å; R613-E617 WeakPolarHBondContact O-CG 3.31Å; R613-E617 PolarHBondContact O-N 3.27Å; E614-E617 PolarHBondContact O-N 2.86Å; E617-R621 WeakPolarHBondContact O-CA 3.49Å; E617-R621 VanDerWaalsContact O-CB 3.28Å; E617-R621 WeakPolarHBondContact O-CB 3.45Å; E617-R621 PolarHBondContact O-N 2.89Å
618E88.1Confident89.4Confident99 Ų9961 Ų6146%0.46330%0.3SS..Hα-helixtrans-65.3-42.7173.8-75.7179.8179.900112.9E614 I615 I616 R621E614-E618 WeakPolarHBondContact O-CB 3.47Å; E614-E618 WeakPolarHBondContact O-CG 3.36Å; E614-E618 PolarHBondContact O-N 2.97Å; I615-E618 PolarHBondContact O-N 2.78Å; I616-E618 VanDerWaalsContact C-N 3.3Å; I616-E618 PolarHBondContact O-N 2.94Å; E618-R621 WeakPolarHBondContact O-CB 3.29Å
619I87.3Confident89.2Confident45 Ų4558.7 Ų58.723%0.23129%0.288CS..Hα-helixtrans-65.5-40.9178.2-70.2164.7000111D571 V572 I583 I615 I616D571-I619 HydrophobicContact CB-CG2 3.97Å; V572-I619 HydrophobicContact CG2-CG2 4.13Å; I583-I619 HydrophobicContact CD1-CD1 3.92Å; I615-I619 HydrophobicContact CG2-CD1 3.81Å; I615-I619 HydrophobicContact CG2-CG1 4.46Å; I615-I619 VanDerWaalsContact O-CG1 3.24Å; I615-I619 WeakPolarHBondContact O-CG1 3.21Å; I615-I619 PolarHBondContact O-N 2.83Å; I616-I619 PolarHBondContact O-N 3.16Å
620T87.6Confident89.3Confident21 Ų2164.2 Ų64.213%0.12931%0.313CS..Hα-helixtrans-92.5-3.1-175.160.50000113.6I564 K568 V572 I616 E622I564-T620 HydrophobicContact CB-CG2 4.11Å; I564-T620 HydrophobicContact CD1-CG2 3.99Å; I564-T620 HydrophobicContact CG2-CG2 3.77Å; K568-T620 HydrophobicContact CB-CG2 3.87Å; V572-T620 HydrophobicContact CG2-CG2 3.48Å; V572-T620 VanDerWaalsContact CG2-CG2 3.48Å; I616-T620 HydrophobicContact CG2-CG2 4.33Å; I616-T620 WeakPolarHBondContact O-CB 3.49Å; I616-T620 WeakPolarHBondContact O-CG2 3.35Å; I616-T620 PolarHBondContact O-N 3.28Å; I616-T620 PolarHBondContact O-OG1 2.87Å; T620-E622 PolarHBondContact O-N 2.87Å
621R86.4Confident89.2Confident122 Ų12260.9 Ų60.946%0.4630%0.296SS..  trans-52.1134.4178.3-166.6171.7-177.1171.71.1111E617 E618 F646E617-R621 WeakPolarHBondContact O-CA 3.49Å; E617-R621 VanDerWaalsContact O-CB 3.28Å; E617-R621 WeakPolarHBondContact O-CB 3.45Å; E617-R621 PolarHBondContact O-N 2.89Å; E618-R621 WeakPolarHBondContact O-CB 3.29Å; R621-F646 HydrophobicContact CB-CD2 4.09Å; R621-F646 HydrophobicContact CB-CE2 3.71Å; R621-F646 HydrophobicContact CB-CZ 4.09Å; R621-F646 HydrophobicContact CG-CD1 4.46Å; R621-F646 HydrophobicContact CG-CD2 4.3Å; R621-F646 HydrophobicContact CG-CE1 4.15Å; R621-F646 HydrophobicContact CG-CE2 3.96Å; R621-F646 HydrophobicContact CG-CZ 3.88Å; R621-F646 WeakPolarHBondContact O-CE2 2.87Å; R621-F646 WeakPolarHBondContact O-CZ 3.27Å
622E82.4Confident89.1Confident75 Ų7559.8 Ų59.835%0.3530%0.298SS..  trans-111.2153.6176-69.8-174.6127.900111.5K565 T620 Y629K565-E622 WeakPolarHBondContact CE-OE2 3.44Å; K565-E622 IonicContact NZ-OE1 3.36Å; K565-E622 PolarHBondContact NZ-OE1 2.86Å; K565-E622 IonicContact NZ-OE2 3.45Å; K565-E622 PolarHBondContact NZ-OE2 3.2Å; T620-E622 PolarHBondContact O-N 2.87Å; E622-Y629 PolarHBondContact O-OH 3.09Å
623A80.4Confident89Confident5 Ų559.8 Ų59.84%0.04130%0.298CS..PPolyproline II helixtrans-81129.8170.200000107.9Y629 L645 F646 I680 I683 V689A623-Y629 WeakPolarHBondContact CA-OH 3.45Å; A623-L645 HydrophobicContact CB-CD1 3.63Å; A623-F646 HydrophobicContact CB-CE1 4.45Å; A623-I680 HydrophobicContact CB-CG1 4.32Å; A623-I683 WeakPolarHBondContact O-CD1 3.34Å; A623-V689 HydrophobicContact CB-CG1 3.87Å; A623-V689 HydrophobicContact CB-CG2 4.04Å
624E83.1Confident88.9Confident125 Ų12559.7 Ų59.758%0.58430%0.301SS*.PPolyproline II helixtrans-101.8131.9177.5-69-177.4-175.600111.1G626 Q627 Y629 I680E624-G626 PolarHBondContact O-N 3.41Å; E624-Q627 HydrophobicContact CB-CB 4.14Å; E624-Q627 WeakPolarHBondContact O-CB 3.41Å; E624-Q627 PolarHBondContact O-N 2.9Å; E624-Q627 VanDerWaalsContact O-N 3.1Å; E624-Y629 PolarHBondContact N-OH 2.76Å; E624-Y629 VanDerWaalsContact N-OH 3.15Å; E624-I680 WeakPolarHBondContact O-CB 3.34Å
625V85.4Confident88.9Confident89 Ų8960.8 Ų60.854%0.53930%0.3SS..THydrogen-bonded Turntrans-61126.9175.31780000109.5I680 T681 I683V625-I680 HydrophobicContact CG2-CG2 4.32Å; V625-T681 WeakPolarHBondContact CG1-O 3.42Å; V625-I683 HydrophobicContact CG2-CD1 4.13Å; V625-I683 HydrophobicContact CG2-CG1 3.88Å
626G85.8Confident88.8Confident39 Ų3961.3 Ų61.340%0.40230%0.303SS..THydrogen-bonded Turntrans95.8-15.4-177.600000114.5E624 K679 I680E624-G626 PolarHBondContact O-N 3.41Å; G626-K679 WeakPolarHBondContact O-CE 3.49Å; G626-I680 PolarHBondContact N-O 2.96Å
627Q89.6Confident88.7Confident77 Ų7764.7 Ų64.736%0.3632%0.319SS..  trans-81.2147.2178.5-161.7175.732.800111.5E624 Y629 K679 I680E624-Q627 HydrophobicContact CB-CB 4.14Å; E624-Q627 WeakPolarHBondContact O-CB 3.41Å; E624-Q627 PolarHBondContact O-N 2.9Å; E624-Q627 VanDerWaalsContact O-N 3.1Å; Q627-Y629 HydrophobicContact CB-CE2 3.81Å; Q627-Y629 HydrophobicContact CG-CE2 4.12Å; Q627-Y629 PolarHBondContact OE1-OH 2.63Å; Q627-K679 WeakPolarHBondContact O-CA 3.34Å; Q627-I680 PolarHBondContact O-N 3.37Å
628T89.9Confident88.4Confident66 Ų6669.7 Ų69.741%0.40534%0.339SS..EExtended strand (participates in β ladder)trans-94.5140.2174.328.50000112.3V678 K679 L696T628-V678 CarbonylContact C-O 3.3Å; T628-V678 VanDerWaalsContact CA-O 3.32Å; T628-V678 WeakPolarHBondContact CA-O 3.37Å; T628-K679 HydrophobicContact CG2-CB 4.15Å; T628-K679 HydrophobicContact CG2-CG 4.45Å; T628-L696 HydrophobicContact CG2-CD1 3.94Å; T628-L696 HydrophobicContact CG2-CD2 3.24Å; T628-L696 HydrophobicContact CG2-CG 4.16Å
629Y89.5Confident88.6Confident15 Ų1570.2 Ų70.26%0.05934%0.338CS..EExtended strand (participates in β ladder)trans-134.5141.8177.6-62.6-92.7000110.1E622 A623 E624 Q627 A631 L645 F646 E677 V678 I680E622-Y629 PolarHBondContact O-OH 3.09Å; A623-Y629 WeakPolarHBondContact CA-OH 3.45Å; E624-Y629 PolarHBondContact N-OH 2.76Å; E624-Y629 VanDerWaalsContact N-OH 3.15Å; Q627-Y629 HydrophobicContact CB-CE2 3.81Å; Q627-Y629 HydrophobicContact CG-CE2 4.12Å; Q627-Y629 PolarHBondContact OE1-OH 2.63Å; Y629-A631 PolarHBondContact O-N 3.27Å; Y629-L645 HydrophobicContact CD1-CB 4.39Å; Y629-L645 HydrophobicContact CD2-CD2 4.37Å; Y629-L645 HydrophobicContact CG-CB 4.37Å; Y629-L645 HydrophobicContact CG-CD2 4.25Å; Y629-F646 HydrophobicContact CD1-CD1 4.28Å; Y629-F646 HydrophobicContact CE1-CD1 4.04Å; Y629-F646 AromaticContact CE1-CE1 3.98Å; Y629-F646 HydrophobicContact CE1-CE1 3.98Å; Y629-E677 CarbonylContact O-C 3.59Å; Y629-E677 WeakPolarHBondContact O-CA 3.45Å; Y629-V678 PolarHBondContact N-O 3.42Å; Y629-V678 PolarHBondContact O-N 3.21Å; Y629-I680 HydrophobicContact CD2-CD1 3.91Å; Y629-I680 HydrophobicContact CD2-CG1 3.7Å; Y629-I680 HydrophobicContact CE2-CD1 4.12Å; Y629-I680 HydrophobicContact CE2-CG1 3.48Å; Y629-I680 VanDerWaalsContact CE2-CG1 3.48Å
630Q91.1Very high88.8Confident116 Ų11668 Ų6854%0.54233%0.327SS..EExtended strand (participates in β ladder)trans-80.4103163.3-77.1-70.818.800108.9T675Q630-T675 HydrophobicContact CB-CG2 4.26Å
631A91.5Very high89Confident0 Ų067 Ų670%032%0.321CS..EExtended strand (participates in β ladder)trans-103.2144.5-172.600000111.4Y629 V643 G644 L645 T675 I676 V678Y629-A631 PolarHBondContact O-N 3.27Å; A631-V643 HydrophobicContact CB-CB 3.67Å; A631-V643 HydrophobicContact CB-CG2 3.69Å; A631-G644 CarbonylContact C-O 3.57Å; A631-G644 WeakPolarHBondContact CA-O 3.28Å; A631-G644 WeakPolarHBondContact CB-O 3.23Å; A631-L645 HydrophobicContact CB-CD2 3.95Å; A631-T675 CarbonylContact O-C 3.53Å; A631-T675 WeakPolarHBondContact O-CA 3.44Å; A631-I676 PolarHBondContact N-O 2.96Å; A631-I676 PolarHBondContact O-N 2.89Å; A631-V678 HydrophobicContact CB-CG2 3.72Å
632T93Very high89.3Confident61 Ų6163.1 Ų63.137%0.37431%0.307SS..EExtended strand (participates in β ladder)trans-103130.2177.8-53.50000110.7K634 V643 G644 D674T632-K634 PolarHBondContact O-N 2.9Å; T632-K634 VanDerWaalsContact O-N 3.16Å; T632-V643 CarbonylContact O-C 3.54Å; T632-V643 WeakPolarHBondContact O-CA 3Å; T632-G644 PolarHBondContact N-O 3.06Å; T632-G644 PolarHBondContact O-N 2.77Å; T632-D674 CarbonylContact C-O 3.56Å; T632-D674 WeakPolarHBondContact CA-O 3.39Å
633V92.5Very high89.8Confident1 Ų159.6 Ų59.61%0.00629%0.29CS..EExtended strand (participates in β ladder)trans-67.4112.7178.2-178.90000110.1I636 A641 V643 L670 K671 G673 D674 I676V633-I636 HydrophobicContact CG1-CD1 4.02Å; V633-I636 HydrophobicContact CG1-CG1 3.64Å; V633-A641 HydrophobicContact CG1-CB 4.25Å; V633-V643 HydrophobicContact CG2-CG1 4.04Å; V633-L670 HydrophobicContact CG2-CB 4.32Å; V633-L670 HydrophobicContact CG2-CD1 4.36Å; V633-L670 HydrophobicContact CG2-CD2 4.13Å; V633-K671 WeakPolarHBondContact CB-O 3.37Å; V633-G673 PolarHBondContact O-N 3.34Å; V633-D674 HydrophobicContact CG2-CB 4.19Å; V633-D674 PolarHBondContact N-O 3.34Å; V633-I676 HydrophobicContact CG2-CG2 4.38Å
634K91.7Very high90.3Very high98 Ų9859.6 Ų59.643%0.42629%0.291SS..EExtended strand (participates in β ladder)trans-97.3-36180-71.1-175.2-178.7165.40113.2T632 F642 D650T632-K634 PolarHBondContact O-N 2.9Å; T632-K634 VanDerWaalsContact O-N 3.16Å; K634-F642 PolarHBondContact N-O 3.07Å; K634-D650 WeakPolarHBondContact CD-OD1 3.44Å; K634-D650 IonicContact NZ-OD1 2.67Å; K634-D650 PolarHBondContact NZ-OD1 3.32Å
635R92.6Very high90.5Very high122 Ų12254.3 Ų54.346%0.4627%0.267SS..EExtended strand (participates in β ladder)trans-148.2139-178.4-176.5175.868-163.3-0.3109.8E637 A641 F642R635-E637 WeakPolarHBondContact CD-OE1 3.34Å; R635-E637 IonicContact NE-OE1 3.79Å; R635-A641 CarbonylContact O-C 3.52Å; R635-A641 WeakPolarHBondContact O-CA 3.36Å; R635-F642 HydrophobicContact CB-CB 4.27Å; R635-F642 PolarHBondContact N-O 3.12Å; R635-F642 VanDerWaalsContact NH2-CD2 3.3Å; R635-F642 VanDerWaalsContact NH2-CZ 3.34Å; R635-F642 PolarHBondContact O-N 3.47Å
636I90.7Very high90.4Very high30 Ų3051.2 Ų51.215%0.15425%0.246CC..EExtended strand (participates in β ladder)trans-113.3134.4175.3-62.1172.2000108.5V633 A641 V666 E667 L670 I672V633-I636 HydrophobicContact CG1-CD1 4.02Å; V633-I636 HydrophobicContact CG1-CG1 3.64Å; I636-A641 HydrophobicContact CG1-CB 4.34Å; I636-V666 HydrophobicContact CG2-CB 3.79Å; I636-V666 HydrophobicContact CG2-CG1 3.64Å; I636-E667 HydrophobicContact CG2-CG 4.03Å; I636-L670 HydrophobicContact CD1-CB 4.35Å; I636-L670 WeakPolarHBondContact CD1-O 3.3Å; I636-I672 HydrophobicContact CD1-CG1 4.14Å; I636-I672 HydrophobicContact CG1-CG1 4.26Å
637E91.6Very high89.9Confident70 Ų7054.2 Ų54.233%0.32726%0.259SS..EExtended strand (participates in β ladder)trans-125.7162.1175.4-65.6-67.7168.800109.2R635 Y639 G640 F642R635-E637 WeakPolarHBondContact CD-OE1 3.34Å; R635-E637 IonicContact NE-OE1 3.79Å; E637-Y639 HydrophobicContact CB-CD1 3.89Å; E637-Y639 HydrophobicContact CB-CE1 3.55Å; E637-Y639 HydrophobicContact CB-CE2 4.4Å; E637-Y639 HydrophobicContact CB-CG 4.44Å; E637-Y639 HydrophobicContact CG-CE1 3.97Å; E637-Y639 PolarHBondContact O-N 2.84Å; E637-G640 CarbonylContact C-O 3.51Å; E637-G640 WeakPolarHBondContact CA-O 3.43Å; E637-G640 PolarHBondContact N-O 3.07Å; E637-G640 PolarHBondContact O-N 2.93Å; E637-G640 VanDerWaalsContact O-N 3.12Å; E637-F642 HydrophobicContact CG-CD2 4.32Å; E637-F642 HydrophobicContact CG-CE2 4.04Å
638K86.9Confident89.2Confident187 Ų18754.5 Ų54.581%0.81328%0.282SS*.THydrogen-bonded Turntrans-57.8-26.9-179.8-69.4-178.3179.71780114.1
639Y90.7Very high88.9Confident110 Ų11053.9 Ų53.943%0.43127%0.274SS..THydrogen-bonded Turntrans-96.7-8.8-177.358.6-92.2000113.8E637 F642 L652 H654 I655E637-Y639 HydrophobicContact CB-CD1 3.89Å; E637-Y639 HydrophobicContact CB-CE1 3.55Å; E637-Y639 HydrophobicContact CB-CE2 4.4Å; E637-Y639 HydrophobicContact CB-CG 4.44Å; E637-Y639 HydrophobicContact CG-CE1 3.97Å; E637-Y639 PolarHBondContact O-N 2.84Å; Y639-F642 HydrophobicContact CE2-CE2 4.34Å; Y639-F642 WeakPolarHBondContact OH-CE2 3.26Å; Y639-L652 HydrophobicContact CD2-CD1 4.14Å; Y639-L652 HydrophobicContact CE2-CD1 3.75Å; Y639-L652 HydrophobicContact CE2-CD2 4.31Å; Y639-H654 PolarHBondContact O-CD2 2.81Å; Y639-H654 PolarHBondContact O-NE2 3.36Å; Y639-I655 PolarHBondContact O-N 2.88Å
640G91.4Very high88.9Confident0 Ų056.4 Ų56.40%029%0.288CS..EExtended strand (participates in β ladder)trans164.5-176.9-176.300000112.9E637 L653E637-G640 CarbonylContact C-O 3.51Å; E637-G640 WeakPolarHBondContact CA-O 3.43Å; E637-G640 PolarHBondContact N-O 3.07Å; E637-G640 PolarHBondContact O-N 2.93Å; E637-G640 VanDerWaalsContact O-N 3.12Å; G640-L653 CarbonylContact C-O 3.51Å; G640-L653 WeakPolarHBondContact CA-O 3.3Å
641A91.9Very high88.9Confident0 Ų050.9 Ų50.90%026%0.263CS..EExtended strand (participates in β ladder)trans-114.4141.8174.500000110.7V633 R635 I636 V643 L653 V666 L670V633-A641 HydrophobicContact CG1-CB 4.25Å; R635-A641 CarbonylContact O-C 3.52Å; R635-A641 WeakPolarHBondContact O-CA 3.36Å; I636-A641 HydrophobicContact CG1-CB 4.34Å; A641-V643 HydrophobicContact CB-CG1 4.35Å; A641-L653 PolarHBondContact N-O 3.44Å; A641-L653 PolarHBondContact O-N 2.98Å; A641-V666 HydrophobicContact CB-CG1 4.08Å; A641-L670 HydrophobicContact CB-CD1 3.81Å
642F93.9Very high89Confident40 Ų4052.6 Ų52.618%0.17527%0.272CS..EExtended strand (participates in β ladder)trans-88.1115.8164.5-70.6-90.3000108.4K634 R635 E637 Y639 A651 L652K634-F642 PolarHBondContact N-O 3.07Å; R635-F642 HydrophobicContact CB-CB 4.27Å; R635-F642 PolarHBondContact N-O 3.12Å; R635-F642 VanDerWaalsContact NH2-CD2 3.3Å; R635-F642 VanDerWaalsContact NH2-CZ 3.34Å; R635-F642 PolarHBondContact O-N 3.47Å; E637-F642 HydrophobicContact CG-CD2 4.32Å; E637-F642 HydrophobicContact CG-CE2 4.04Å; Y639-F642 HydrophobicContact CE2-CE2 4.34Å; Y639-F642 WeakPolarHBondContact OH-CE2 3.26Å; F642-A651 WeakPolarHBondContact CA-O 3.22Å; F642-L652 HydrophobicContact CE1-CB 4.44Å; F642-L652 HydrophobicContact CE1-CD1 4.29Å; F642-L652 HydrophobicContact CE2-CD1 4.2Å; F642-L652 HydrophobicContact CZ-CD1 4.07Å
643V92.6Very high89Confident0 Ų049.7 Ų49.70%025%0.254CS..EExtended strand (participates in β ladder)trans-108.4127.4-179.9-59.90000108.8A631 T632 V633 A641 L645 D650 A651 L653 I676 V678A631-V643 HydrophobicContact CB-CB 3.67Å; A631-V643 HydrophobicContact CB-CG2 3.69Å; T632-V643 CarbonylContact O-C 3.54Å; T632-V643 WeakPolarHBondContact O-CA 3Å; V633-V643 HydrophobicContact CG2-CG1 4.04Å; A641-V643 HydrophobicContact CB-CG1 4.35Å; V643-L645 PolarHBondContact O-N 3.05Å; V643-D650 CarbonylContact O-C 3.59Å; V643-D650 WeakPolarHBondContact O-CA 3.3Å; V643-A651 HydrophobicContact CG2-CB 4.24Å; V643-A651 PolarHBondContact N-O 2.92Å; V643-A651 PolarHBondContact O-N 3.34Å; V643-L653 HydrophobicContact CG1-CB 4.25Å; V643-L653 HydrophobicContact CG1-CD2 4.29Å; V643-L653 HydrophobicContact CG2-CB 4.35Å; V643-I676 HydrophobicContact CG1-CG2 4.13Å; V643-V678 HydrophobicContact CG2-CG1 4.49Å; V643-V678 HydrophobicContact CG2-CG2 4.28Å
644G90.3Very high89Confident6 Ų653.3 Ų53.36%0.06227%0.271CS..EExtended strand (participates in β ladder)trans-77.3120174.900000109.9A631 T632 D650A631-G644 CarbonylContact C-O 3.57Å; A631-G644 WeakPolarHBondContact CA-O 3.28Å; A631-G644 WeakPolarHBondContact CB-O 3.23Å; T632-G644 PolarHBondContact N-O 3.06Å; T632-G644 PolarHBondContact O-N 2.77Å; G644-D650 WeakPolarHBondContact CA-OD1 3.41Å
645L87.3Confident88.8Confident14 Ų1450.2 Ų50.27%0.07326%0.259CS..EExtended strand (participates in β ladder)trans-79.5-43.1178.3-55.8177.8000111A623 Y629 A631 V643 K649 A651 V678 I680 V689A623-L645 HydrophobicContact CB-CD1 3.63Å; Y629-L645 HydrophobicContact CD1-CB 4.39Å; Y629-L645 HydrophobicContact CD2-CD2 4.37Å; Y629-L645 HydrophobicContact CG-CB 4.37Å; Y629-L645 HydrophobicContact CG-CD2 4.25Å; A631-L645 HydrophobicContact CB-CD2 3.95Å; V643-L645 PolarHBondContact O-N 3.05Å; L645-K649 PolarHBondContact N-O 2.64Å; L645-A651 HydrophobicContact CD1-CB 4Å; L645-A651 HydrophobicContact CD2-CB 3.92Å; L645-A651 HydrophobicContact CG-CB 3.99Å; L645-V678 HydrophobicContact CD2-CG2 3.78Å; L645-I680 HydrophobicContact CD1-CD1 3.6Å; L645-I680 HydrophobicContact CD1-CG1 4.45Å; L645-I680 HydrophobicContact CD2-CD1 3.83Å; L645-I680 HydrophobicContact CG-CD1 4.37Å; L645-V689 HydrophobicContact CD1-CG1 4.13Å
646F84.3Confident88.6Confident23 Ų2347.2 Ų47.210%0.10126%0.256CS..EExtended strand (participates in β ladder)trans-159.9169.3177.946.9-96.7000108.2R621 A623 Y629 G648 K649R621-F646 HydrophobicContact CB-CD2 4.09Å; R621-F646 HydrophobicContact CB-CE2 3.71Å; R621-F646 HydrophobicContact CB-CZ 4.09Å; R621-F646 HydrophobicContact CG-CD1 4.46Å; R621-F646 HydrophobicContact CG-CD2 4.3Å; R621-F646 HydrophobicContact CG-CE1 4.15Å; R621-F646 HydrophobicContact CG-CE2 3.96Å; R621-F646 HydrophobicContact CG-CZ 3.88Å; R621-F646 WeakPolarHBondContact O-CE2 2.87Å; R621-F646 WeakPolarHBondContact O-CZ 3.27Å; A623-F646 HydrophobicContact CB-CE1 4.45Å; Y629-F646 HydrophobicContact CD1-CD1 4.28Å; Y629-F646 HydrophobicContact CE1-CD1 4.04Å; Y629-F646 AromaticContact CE1-CE1 3.98Å; Y629-F646 HydrophobicContact CE1-CE1 3.98Å; F646-G648 PolarHBondContact O-N 3.44Å; F646-K649 HydrophobicContact CD2-CB 3.71Å; F646-K649 HydrophobicContact CE1-CB 4.28Å; F646-K649 HydrophobicContact CE1-CG 4.42Å; F646-K649 HydrophobicContact CE2-CB 3.25Å; F646-K649 HydrophobicContact CE2-CG 3.9Å; F646-K649 HydrophobicContact CG-CB 4.38Å; F646-K649 HydrophobicContact CZ-CB 3.58Å; F646-K649 HydrophobicContact CZ-CG 3.72Å; F646-K649 PolarHBondContact O-N 3.07Å; F646-K649 VanDerWaalsContact O-N 3.08Å
647P73.8Confident88.5Confident102 Ų10248.4 Ų48.466%0.66226%0.261SS*.THydrogen-bonded Turntrans-49.3130-178.4-29.237.1000112.4K649P647-K649 VanDerWaalsContact C-N 3.29Å; P647-K649 PolarHBondContact O-N 3.32Å
648G75.1Confident88.4Confident83 Ų8345.4 Ų45.486%0.85625%0.247SC*.THydrogen-bonded Turntrans78.6-11.2179.900000117.1F646F646-G648 PolarHBondContact O-N 3.44Å
649K84.2Confident88.3Confident54 Ų5437.7 Ų37.724%0.23522%0.217CC..EExtended strand (participates in β ladder)trans-121.7118.5-178.8-161.476-177.8-179.30113.1L645 F646 P647L645-K649 PolarHBondContact N-O 2.64Å; F646-K649 HydrophobicContact CD2-CB 3.71Å; F646-K649 HydrophobicContact CE1-CB 4.28Å; F646-K649 HydrophobicContact CE1-CG 4.42Å; F646-K649 HydrophobicContact CE2-CB 3.25Å; F646-K649 HydrophobicContact CE2-CG 3.9Å; F646-K649 HydrophobicContact CG-CB 4.38Å; F646-K649 HydrophobicContact CZ-CB 3.58Å; F646-K649 HydrophobicContact CZ-CG 3.72Å; F646-K649 PolarHBondContact O-N 3.07Å; F646-K649 VanDerWaalsContact O-N 3.08Å; P647-K649 VanDerWaalsContact C-N 3.29Å; P647-K649 PolarHBondContact O-N 3.32Å
650D89.1Confident87.7Confident67 Ų6738.2 Ų38.236%0.35822%0.221SC..EExtended strand (participates in β ladder)trans-110.6147.2176.5-61.6-13.9000110.5K634 V643 G644K634-D650 WeakPolarHBondContact CD-OD1 3.44Å; K634-D650 IonicContact NZ-OD1 2.67Å; K634-D650 PolarHBondContact NZ-OD1 3.32Å; V643-D650 CarbonylContact O-C 3.59Å; V643-D650 WeakPolarHBondContact O-CA 3.3Å; G644-D650 WeakPolarHBondContact CA-OD1 3.41Å
651A91.2Very high87.3Confident1 Ų144.3 Ų44.31%0.00825%0.254CS..EExtended strand (participates in β ladder)trans-117.6148.1170.700000110.9F642 V643 L645 I680 V689 A691F642-A651 WeakPolarHBondContact CA-O 3.22Å; V643-A651 HydrophobicContact CG2-CB 4.24Å; V643-A651 PolarHBondContact N-O 2.92Å; V643-A651 PolarHBondContact O-N 3.34Å; L645-A651 HydrophobicContact CD1-CB 4Å; L645-A651 HydrophobicContact CD2-CB 3.92Å; L645-A651 HydrophobicContact CG-CB 3.99Å; A651-I680 HydrophobicContact CB-CD1 4.44Å; A651-V689 CarbonylContact C-O 3.55Å; A651-V689 VanDerWaalsContact CA-O 3.25Å; A651-V689 WeakPolarHBondContact CA-O 3.33Å; A651-V689 HydrophobicContact CB-CB 4.02Å; A651-V689 HydrophobicContact CB-CG1 3.81Å; A651-A691 HydrophobicContact CB-CB 3.88Å
652L93.6Very high86.8Confident36 Ų3655.8 Ų55.819%0.18830%0.297CS..EExtended strand (participates in β ladder)trans-84.5117170.8179.464.3000109.5Y639 F642 V689 A691Y639-L652 HydrophobicContact CD2-CD1 4.14Å; Y639-L652 HydrophobicContact CE2-CD1 3.75Å; Y639-L652 HydrophobicContact CE2-CD2 4.31Å; F642-L652 HydrophobicContact CE1-CB 4.44Å; F642-L652 HydrophobicContact CE1-CD1 4.29Å; F642-L652 HydrophobicContact CE2-CD1 4.2Å; F642-L652 HydrophobicContact CZ-CD1 4.07Å; L652-V689 PolarHBondContact N-O 2.79Å; L652-A691 PolarHBondContact O-N 2.94Å
653L93.2Very high86.2Confident0 Ų055.1 Ų55.10%030%0.295CS..EExtended strand (participates in β ladder)trans-9891.7167.2-176.763.7000108G640 A641 V643 Q657 I658 L670 I676 V678 A691 H693G640-L653 CarbonylContact C-O 3.51Å; G640-L653 WeakPolarHBondContact CA-O 3.3Å; A641-L653 PolarHBondContact N-O 3.44Å; A641-L653 PolarHBondContact O-N 2.98Å; V643-L653 HydrophobicContact CG1-CB 4.25Å; V643-L653 HydrophobicContact CG1-CD2 4.29Å; V643-L653 HydrophobicContact CG2-CB 4.35Å; L653-Q657 HydrophobicContact CD1-CB 4.2Å; L653-I658 HydrophobicContact CD1-CG1 4.45Å; L653-I658 HydrophobicContact CD2-CG1 3.9Å; L653-I658 HydrophobicContact CG-CG1 3.75Å; L653-L670 HydrophobicContact CD2-CD1 4.02Å; L653-I676 HydrophobicContact CD2-CD1 4.1Å; L653-I676 HydrophobicContact CD2-CG2 4.41Å; L653-V678 HydrophobicContact CD1-CG1 4.2Å; L653-V678 HydrophobicContact CD2-CG1 4.1Å; L653-A691 WeakPolarHBondContact CD1-O 3.49Å; L653-H693 HydrophobicContact CD1-CB 4.39Å
654H92.2Very high85.7Confident76 Ų7663 Ų6335%0.35233%0.332SS..EExtended strand (participates in β ladder)trans-63.1147.8-179.6-172.7-99.1000111Y639 S656 Q657 I658Y639-H654 PolarHBondContact O-CD2 2.81Å; Y639-H654 PolarHBondContact O-NE2 3.36Å; H654-S656 PolarHBondContact ND1-N 3.22Å; H654-S656 PolarHBondContact ND1-OG 3.09Å; H654-S656 PolarHBondContact O-N 2.87Å; H654-Q657 HydrophobicContact CB-CG 4.35Å; H654-Q657 WeakPolarHBondContact O-CA 3.36Å; H654-Q657 WeakPolarHBondContact O-CB 3.44Å; H654-Q657 PolarHBondContact O-N 3.03Å; H654-I658 PolarHBondContact O-N 2.92Å
655I88.4Confident85.5Confident34 Ų3468.5 Ų68.517%0.17435%0.354CS..G310 helixtrans-53-34.7-175.1-168.3171.9000113.5Y639 Q657 I658 I663 V666Y639-I655 PolarHBondContact O-N 2.88Å; I655-Q657 VanDerWaalsContact C-N 3.26Å; I655-Q657 PolarHBondContact O-N 2.63Å; I655-I658 HydrophobicContact CG1-CD1 4.49Å; I655-I663 HydrophobicContact CD1-CG2 4.22Å; I655-I663 HydrophobicContact CG1-CB 4.26Å; I655-I663 HydrophobicContact CG1-CG2 4.2Å; I655-V666 HydrophobicContact CB-CG2 3.91Å; I655-V666 HydrophobicContact CD1-CG2 3.84Å; I655-V666 HydrophobicContact CG1-CG2 3.82Å
656S87.6Confident85.3Confident58 Ų5867.8 Ų67.841%0.40635%0.351SS..G310 helixtrans-74.9-9.4177.964.10000115.3H654 R694H654-S656 PolarHBondContact ND1-N 3.22Å; H654-S656 PolarHBondContact ND1-OG 3.09Å; H654-S656 PolarHBondContact O-N 2.87Å; S656-R694 PolarHBondContact O-NH1 2.98Å
657Q89.7Confident85.4Confident56 Ų5671.5 Ų71.526%0.26237%0.368SS..G310 helixtrans-108.51.2-178.7-61.7-62.6-18.700112.5L653 H654 I655 S692 H693 R694L653-Q657 HydrophobicContact CD1-CB 4.2Å; H654-Q657 HydrophobicContact CB-CG 4.35Å; H654-Q657 WeakPolarHBondContact O-CA 3.36Å; H654-Q657 WeakPolarHBondContact O-CB 3.44Å; H654-Q657 PolarHBondContact O-N 3.03Å; I655-Q657 VanDerWaalsContact C-N 3.26Å; I655-Q657 PolarHBondContact O-N 2.63Å; Q657-S692 PolarHBondContact O-OG 3.1Å; Q657-S692 PolarHBondContact OE1-OG 3.16Å; Q657-H693 PolarHBondContact O-N 3.34Å; Q657-R694 WeakPolarHBondContact O-CB 3.41Å; Q657-R694 PolarHBondContact O-N 3.09Å
658I88.4Confident86.1Confident6 Ų671.8 Ų71.83%0.03136%0.364CS..THydrogen-bonded Turntrans-78-44.1178.6-61.8170.7000111.3L653 H654 I655 I663 V666 V669 L670 H693L653-I658 HydrophobicContact CD1-CG1 4.45Å; L653-I658 HydrophobicContact CD2-CG1 3.9Å; L653-I658 HydrophobicContact CG-CG1 3.75Å; H654-I658 PolarHBondContact O-N 2.92Å; I655-I658 HydrophobicContact CG1-CD1 4.49Å; I658-I663 HydrophobicContact CB-CD1 3.68Å; I658-I663 HydrophobicContact CG2-CD1 3.73Å; I658-V666 HydrophobicContact CD1-CB 4.48Å; I658-V666 HydrophobicContact CD1-CG1 3.83Å; I658-V666 HydrophobicContact CD1-CG2 4.25Å; I658-V669 HydrophobicContact CD1-CG2 4.44Å; I658-V669 HydrophobicContact CG2-CG2 3.94Å; I658-L670 HydrophobicContact CD1-CD1 3.83Å; I658-L670 HydrophobicContact CG1-CD1 4.22Å; I658-L670 HydrophobicContact CG2-CD1 4.34Å; I658-H693 WeakPolarHBondContact O-CB 3.12Å; I658-H693 PolarHBondContact O-CD2 3.11Å
659S84.3Confident86.6Confident26 Ų2671.2 Ų71.218%0.18234%0.344CS..  trans-150.5161.4-177.6-176.30000111.3N661 R694S659-N661 VanDerWaalsContact C-N 3.26Å; S659-N661 PolarHBondContact O-N 2.8Å; S659-N661 PolarHBondContact OG-N 3.24Å; S659-R694 WeakPolarHBondContact O-CD 3.45Å
660K80Confident86.8Confident121 Ų12169 Ų6953%0.52634%0.335SS..SBendtrans-63.6-29.3168.4-76.5174.6178178.50113.1R694 E697K660-R694 HydrophobicContact CG-CG 3.8Å; K660-E697 HydrophobicContact CD-CB 4.19Å; K660-E697 WeakPolarHBondContact CE-O 3.44Å; K660-E697 WeakPolarHBondContact CG-OE2 3.4Å; K660-E697 PolarHBondContact N-OE2 3.09Å; K660-E697 PolarHBondContact NZ-O 3.5Å
661N82.4Confident86.8Confident127 Ų12772.8 Ų72.868%0.67935%0.348SS*.SBendtrans-82.7148.9-179.9-66.2-40.9000111.6S659 I663S659-N661 VanDerWaalsContact C-N 3.26Å; S659-N661 PolarHBondContact O-N 2.8Å; S659-N661 PolarHBondContact OG-N 3.24Å; N661-I663 PolarHBondContact O-N 2.81Å
662R80.5Confident86.8Confident242 Ų24278.5 Ų78.591%0.91338%0.377SS*.PPolyproline II helixtrans-68.9117.4177-173.5178.2-178.7179.6-0.5109.8
663I81.6Confident86.6Confident26 Ų2679 Ų7913%0.13339%0.391CS..PPolyproline II helixtrans-97.3130.8175-63.1155.6000108.1I655 I658 N661 K665 V669I655-I663 HydrophobicContact CD1-CG2 4.22Å; I655-I663 HydrophobicContact CG1-CB 4.26Å; I655-I663 HydrophobicContact CG1-CG2 4.2Å; I658-I663 HydrophobicContact CB-CD1 3.68Å; I658-I663 HydrophobicContact CG2-CD1 3.73Å; N661-I663 PolarHBondContact O-N 2.81Å; I663-K665 WeakPolarHBondContact CG2-O 3.48Å; I663-V669 HydrophobicContact CD1-CG1 4.35Å; I663-V669 HydrophobicContact CD1-CG2 3.89Å; I663-V669 HydrophobicContact CG1-CG1 4.15Å; I663-V669 HydrophobicContact CG1-CG2 4.31Å; I663-V669 HydrophobicContact CG2-CG1 4.42Å; I663-V669 HydrophobicContact CG2-CG2 3.91Å
664E83.1Confident86.5Confident165 Ų16582 Ų8277%0.77141%0.407SS*.SBendtrans-79.9-43.2174.8-71.6-158.5162.700112
665K84.9Confident86.4Confident121 Ų12182.9 Ų82.953%0.52642%0.418SS..  trans-134.5140.1179-58.1177.2-174.6168.40111I663 E667 D668I663-K665 WeakPolarHBondContact CG2-O 3.48Å; K665-E667 WeakPolarHBondContact CB-OE2 3.45Å; K665-E667 PolarHBondContact O-N 3.07Å; K665-D668 WeakPolarHBondContact CB-OD2 3.42Å; K665-D668 PolarHBondContact N-OD2 3.21Å; K665-D668 WeakPolarHBondContact O-CB 3.47Å; K665-D668 PolarHBondContact O-N 3.07Å; K665-D668 VanDerWaalsContact O-N 3.09Å
666V84.2Confident86.5Confident0 Ų082.2 Ų82.20%041%0.414CS..G310 helixtrans-60.6-35.2179.3-177.60000110.8I636 A641 I655 I658 D668 V669 L670I636-V666 HydrophobicContact CG2-CB 3.79Å; I636-V666 HydrophobicContact CG2-CG1 3.64Å; A641-V666 HydrophobicContact CB-CG1 4.08Å; I655-V666 HydrophobicContact CB-CG2 3.91Å; I655-V666 HydrophobicContact CD1-CG2 3.84Å; I655-V666 HydrophobicContact CG1-CG2 3.82Å; I658-V666 HydrophobicContact CD1-CB 4.48Å; I658-V666 HydrophobicContact CD1-CG1 3.83Å; I658-V666 HydrophobicContact CD1-CG2 4.25Å; V666-D668 PolarHBondContact O-N 3.25Å; V666-V669 WeakPolarHBondContact O-CG2 3.35Å; V666-V669 PolarHBondContact O-N 2.89Å; V666-L670 HydrophobicContact CG1-CB 4.35Å; V666-L670 HydrophobicContact CG1-CD1 4.12Å; V666-L670 PolarHBondContact O-N 3.42Å
667E86.9Confident86.8Confident100 Ų10083.3 Ų83.347%0.46741%0.413SS..G310 helixtrans-64.7-16.7178.5-58.293.4155.800114.1I636 K665 V669I636-E667 HydrophobicContact CG2-CG 4.03Å; K665-E667 WeakPolarHBondContact CB-OE2 3.45Å; K665-E667 PolarHBondContact O-N 3.07Å; E667-V669 VanDerWaalsContact C-N 3.27Å; E667-V669 PolarHBondContact O-N 2.75Å
668D86.5Confident86.9Confident108 Ų10880.7 Ų80.758%0.57840%0.401SS*.G310 helixtrans-74.4-21.2178.2-61.8-27.2000111.9K665 V666K665-D668 WeakPolarHBondContact CB-OD2 3.42Å; K665-D668 PolarHBondContact N-OD2 3.21Å; K665-D668 WeakPolarHBondContact O-CB 3.47Å; K665-D668 PolarHBondContact O-N 3.07Å; K665-D668 VanDerWaalsContact O-N 3.09Å; V666-D668 PolarHBondContact O-N 3.25Å
669V86Confident87.1Confident71 Ų7184.1 Ų84.143%0.4342%0.415SS..THydrogen-bonded Turntrans-126.3-22-172.7-68.90000114.3I658 I663 V666 E667I658-V669 HydrophobicContact CD1-CG2 4.44Å; I658-V669 HydrophobicContact CG2-CG2 3.94Å; I663-V669 HydrophobicContact CD1-CG1 4.35Å; I663-V669 HydrophobicContact CD1-CG2 3.89Å; I663-V669 HydrophobicContact CG1-CG1 4.15Å; I663-V669 HydrophobicContact CG1-CG2 4.31Å; I663-V669 HydrophobicContact CG2-CG1 4.42Å; I663-V669 HydrophobicContact CG2-CG2 3.91Å; V666-V669 WeakPolarHBondContact O-CG2 3.35Å; V666-V669 PolarHBondContact O-N 2.89Å; E667-V669 VanDerWaalsContact C-N 3.27Å; E667-V669 PolarHBondContact O-N 2.75Å
670L88.3Confident87.5Confident9 Ų983 Ų835%0.04741%0.407CS..  trans-127.3139178.4-65.4175.8000110.4V633 I636 A641 L653 I658 V666 I676V633-L670 HydrophobicContact CG2-CB 4.32Å; V633-L670 HydrophobicContact CG2-CD1 4.36Å; V633-L670 HydrophobicContact CG2-CD2 4.13Å; I636-L670 HydrophobicContact CD1-CB 4.35Å; I636-L670 WeakPolarHBondContact CD1-O 3.3Å; A641-L670 HydrophobicContact CB-CD1 3.81Å; L653-L670 HydrophobicContact CD2-CD1 4.02Å; I658-L670 HydrophobicContact CD1-CD1 3.83Å; I658-L670 HydrophobicContact CG1-CD1 4.22Å; I658-L670 HydrophobicContact CG2-CD1 4.34Å; V666-L670 HydrophobicContact CG1-CB 4.35Å; V666-L670 HydrophobicContact CG1-CD1 4.12Å; V666-L670 PolarHBondContact O-N 3.42Å; L670-I676 HydrophobicContact CD2-CD1 3.77Å
671K90.3Very high88Confident146 Ų14680.2 Ų80.264%0.63540%0.401SS*.  trans-117.2153.1168.4-60.7177.5-175.5172.80109.9V633 G673 D674V633-K671 WeakPolarHBondContact CB-O 3.37Å; K671-G673 PolarHBondContact O-N 2.97Å; K671-D674 WeakPolarHBondContact CB-OD2 3.35Å; K671-D674 PolarHBondContact N-OD2 2.7Å; K671-D674 VanDerWaalsContact O-CB 3.29Å; K671-D674 WeakPolarHBondContact O-CB 3.46Å; K671-D674 PolarHBondContact O-N 3.16Å
672I91.2Very high88.3Confident121 Ų12179.4 Ų79.462%0.62139%0.393SS*.THydrogen-bonded Turntrans-59.9128.7172.9-61.4175.1000108.3I636I636-I672 HydrophobicContact CD1-CG1 4.14Å; I636-I672 HydrophobicContact CG1-CG1 4.26Å
673G88.3Confident88.5Confident46 Ų4671.1 Ų71.147%0.47437%0.366SS..THydrogen-bonded Turntrans94.9-11.2-174.300000114.9V633 K671V633-G673 PolarHBondContact O-N 3.34Å; K671-G673 PolarHBondContact O-N 2.97Å
674D90.8Very high88.6Confident63 Ų6371 Ų7134%0.33737%0.366SS..  trans-65.5143.3175.7-72.3-10.4000110.8T632 V633 K671T632-D674 CarbonylContact C-O 3.56Å; T632-D674 WeakPolarHBondContact CA-O 3.39Å; V633-D674 HydrophobicContact CG2-CB 4.19Å; V633-D674 PolarHBondContact N-O 3.34Å; K671-D674 WeakPolarHBondContact CB-OD2 3.35Å; K671-D674 PolarHBondContact N-OD2 2.7Å; K671-D674 VanDerWaalsContact O-CB 3.29Å; K671-D674 WeakPolarHBondContact O-CB 3.46Å; K671-D674 PolarHBondContact O-N 3.16Å
675T90.8Very high88.4Confident95 Ų9573.7 Ų73.758%0.58338%0.375SS*.EExtended strand (participates in β ladder)trans-98.7127.5173.2-50.70000109.1Q630 A631Q630-T675 HydrophobicContact CB-CG2 4.26Å; A631-T675 CarbonylContact O-C 3.53Å; A631-T675 WeakPolarHBondContact O-CA 3.44Å
676I91.5Very high88.1Confident19 Ų1974.6 Ų74.610%0.09738%0.381CS..EExtended strand (participates in β ladder)trans-136.2133.7-179.5-175.6160.5000110A631 V633 V643 L653 L670 V678 H693A631-I676 PolarHBondContact N-O 2.96Å; A631-I676 PolarHBondContact O-N 2.89Å; V633-I676 HydrophobicContact CG2-CG2 4.38Å; V643-I676 HydrophobicContact CG1-CG2 4.13Å; L653-I676 HydrophobicContact CD2-CD1 4.1Å; L653-I676 HydrophobicContact CD2-CG2 4.41Å; L670-I676 HydrophobicContact CD2-CD1 3.77Å; I676-V678 HydrophobicContact CG1-CG1 4.31Å; I676-V678 HydrophobicContact CG2-CG1 4.09Å; I676-H693 HydrophobicContact CD1-CB 3.86Å; I676-H693 HydrophobicContact CG1-CB 4.18Å
677E93.2Very high87.6Confident82 Ų8276.4 Ų76.438%0.38340%0.4SS..EExtended strand (participates in β ladder)trans-76.1129.8175.4-164.1177.3-13600109.4Y629 H693 L696Y629-E677 CarbonylContact O-C 3.59Å; Y629-E677 WeakPolarHBondContact O-CA 3.45Å; E677-H693 PolarHBondContact O-ND1 3.48Å; E677-L696 HydrophobicContact CB-CD1 3.91Å; E677-L696 HydrophobicContact CG-CD1 3.63Å; E677-L696 WeakPolarHBondContact O-CD1 3.19Å
678V92.3Very high87.5Confident0 Ų078.7 Ų78.70%040%0.404CS..EExtended strand (participates in β ladder)trans-135.4142.1-178.9-61.80000110.7T628 Y629 A631 V643 L645 L653 I676 A691 H693T628-V678 CarbonylContact C-O 3.3Å; T628-V678 VanDerWaalsContact CA-O 3.32Å; T628-V678 WeakPolarHBondContact CA-O 3.37Å; Y629-V678 PolarHBondContact N-O 3.42Å; Y629-V678 PolarHBondContact O-N 3.21Å; A631-V678 HydrophobicContact CB-CG2 3.72Å; V643-V678 HydrophobicContact CG2-CG1 4.49Å; V643-V678 HydrophobicContact CG2-CG2 4.28Å; L645-V678 HydrophobicContact CD2-CG2 3.78Å; L653-V678 HydrophobicContact CD1-CG1 4.2Å; L653-V678 HydrophobicContact CD2-CG1 4.1Å; I676-V678 HydrophobicContact CG1-CG1 4.31Å; I676-V678 HydrophobicContact CG2-CG1 4.09Å; V678-A691 HydrophobicContact CB-CB 3.87Å; V678-A691 HydrophobicContact CG2-CB 3.84Å; V678-H693 HydrophobicContact CG1-CB 4.38Å
679K92.7Very high87.6Confident78 Ų7873.7 Ų73.734%0.33938%0.377SS..EExtended strand (participates in β ladder)trans-96.8132.2170.6-168.5172.5179.7174.90109.7G626 Q627 T628 T681 A691 S692 A695 L696G626-K679 WeakPolarHBondContact O-CE 3.49Å; Q627-K679 WeakPolarHBondContact O-CA 3.34Å; T628-K679 HydrophobicContact CG2-CB 4.15Å; T628-K679 HydrophobicContact CG2-CG 4.45Å; K679-T681 PolarHBondContact O-N 2.78Å; K679-A691 CarbonylContact O-C 3.53Å; K679-A691 VanDerWaalsContact O-CA 3.29Å; K679-A691 WeakPolarHBondContact O-CA 3.21Å; K679-S692 PolarHBondContact N-O 3.46Å; K679-S692 PolarHBondContact O-N 3.39Å; K679-A695 HydrophobicContact CB-CB 4.38Å; K679-A695 HydrophobicContact CD-CB 4.39Å; K679-L696 HydrophobicContact CB-CD2 4.03Å; K679-L696 HydrophobicContact CB-CG 4.26Å; K679-L696 HydrophobicContact CD-CD2 4.4Å
680I91.6Very high87.8Confident2 Ų272.1 Ų72.11%0.0137%0.366CS..EExtended strand (participates in β ladder)trans-72.6123175.2-51.9-50.9000108.8A623 E624 V625 G626 Q627 Y629 L645 A651 I683 V689 A691A623-I680 HydrophobicContact CB-CG1 4.32Å; E624-I680 WeakPolarHBondContact O-CB 3.34Å; V625-I680 HydrophobicContact CG2-CG2 4.32Å; G626-I680 PolarHBondContact N-O 2.96Å; Q627-I680 PolarHBondContact O-N 3.37Å; Y629-I680 HydrophobicContact CD2-CD1 3.91Å; Y629-I680 HydrophobicContact CD2-CG1 3.7Å; Y629-I680 HydrophobicContact CE2-CD1 4.12Å; Y629-I680 HydrophobicContact CE2-CG1 3.48Å; Y629-I680 VanDerWaalsContact CE2-CG1 3.48Å; L645-I680 HydrophobicContact CD1-CD1 3.6Å; L645-I680 HydrophobicContact CD1-CG1 4.45Å; L645-I680 HydrophobicContact CD2-CD1 3.83Å; L645-I680 HydrophobicContact CG-CD1 4.37Å; A651-I680 HydrophobicContact CB-CD1 4.44Å; I680-I683 HydrophobicContact CG2-CG1 4.43Å; I680-V689 HydrophobicContact CD1-CG1 3.79Å; I680-V689 HydrophobicContact CG1-CG1 4.32Å; I680-V689 HydrophobicContact CG2-CG1 3.59Å; I680-A691 HydrophobicContact CD1-CB 3.87Å
681T90Very high88Confident63 Ų6371.8 Ų71.839%0.38737%0.365SS..EExtended strand (participates in β ladder)trans-97.9-36.2-176.953.80000112.3V625 K679 N690 S692V625-T681 WeakPolarHBondContact CG1-O 3.42Å; K679-T681 PolarHBondContact O-N 2.78Å; T681-N690 PolarHBondContact N-O 2.96Å; T681-N690 PolarHBondContact OG1-O 3.26Å; T681-S692 VanDerWaalsContact CG2-CB 3.45Å
682E89.4Confident88.1Confident110 Ų11064.9 Ų64.951%0.51434%0.335SS..EExtended strand (participates in β ladder)trans-157.8146.4-175.7-176-179.3168.200110.2N690E682-N690 PolarHBondContact N-O 2.79Å; E682-N690 PolarHBondContact O-N 3.43Å
683I85.4Confident88.1Confident68 Ų6861.3 Ų61.335%0.34932%0.316SS..EExtended strand (participates in β ladder)trans-113.7116.2161.5-56.2172.3000105.8A623 V625 I680 R688 V689A623-I683 WeakPolarHBondContact O-CD1 3.34Å; V625-I683 HydrophobicContact CG2-CD1 4.13Å; V625-I683 HydrophobicContact CG2-CG1 3.88Å; I680-I683 HydrophobicContact CG2-CG1 4.43Å; I683-R688 WeakPolarHBondContact CA-O 3.02Å; I683-V689 HydrophobicContact CG1-CG2 4.29Å
684D83.8Confident88.1Confident25 Ų2564.4 Ų64.413%0.13431%0.313CS..  trans-74.2174.1-174.675.89000112.2Q686 G687 R688D684-Q686 PolarHBondContact O-N 2.88Å; D684-Q686 VanDerWaalsContact OD1-CA 3.29Å; D684-Q686 WeakPolarHBondContact OD1-CA 3.13Å; D684-Q686 WeakPolarHBondContact OD1-CB 3.42Å; D684-Q686 PolarHBondContact OD1-N 3.16Å; D684-G687 PolarHBondContact O-N 3Å; D684-G687 PolarHBondContact OD1-N 2.9Å; D684-G687 VanDerWaalsContact OD1-N 3.09Å; D684-R688 PolarHBondContact N-O 3.28Å; D684-R688 WeakPolarHBondContact OD1-CB 3.44Å; D684-R688 PolarHBondContact OD1-N 3.21Å; D684-R688 IonicContact OD1-NE 3.22Å; D684-R688 IonicContact OD2-CZ 2.73Å; D684-R688 IonicContact OD2-NE 3.47Å; D684-R688 PolarHBondContact OD2-NE 2.72Å; D684-R688 IonicContact OD2-NH2 3.55Å; D684-R688 PolarHBondContact OD2-NH2 3.42Å
685K78.8Confident87.8Confident220 Ų22062.9 Ų62.996%0.95731%0.31SS*.THydrogen-bonded Turntrans-60.9-14.1178.8-64.9-174.2178.3-176.90114.4
686Q77.6Confident87.5Confident141 Ų14160.8 Ų60.866%0.65930%0.295SS*.THydrogen-bonded Turntrans-97.34.5176.2-63-174.8-2500112D684 R688D684-Q686 PolarHBondContact O-N 2.88Å; D684-Q686 VanDerWaalsContact OD1-CA 3.29Å; D684-Q686 WeakPolarHBondContact OD1-CA 3.13Å; D684-Q686 WeakPolarHBondContact OD1-CB 3.42Å; D684-Q686 PolarHBondContact OD1-N 3.16Å; Q686-R688 VanDerWaalsContact C-N 3.29Å; Q686-R688 HydrophobicContact CB-CG 4.32Å; Q686-R688 PolarHBondContact O-N 3.09Å
687G73.2Confident86.8Confident38 Ų3863.1 Ų63.139%0.39231%0.305SS..  trans77.511.2-178.800000114.2D684D684-G687 PolarHBondContact O-N 3Å; D684-G687 PolarHBondContact OD1-N 2.9Å; D684-G687 VanDerWaalsContact OD1-N 3.09Å
688R84.6Confident84.9Confident147 Ų14769.9 Ų69.956%0.55534%0.337SS*.  trans-80.6129.5178-57.9178.6-63.8-168.7-0.1109.1I683 D684 Q686I683-R688 WeakPolarHBondContact CA-O 3.02Å; D684-R688 PolarHBondContact N-O 3.28Å; D684-R688 WeakPolarHBondContact OD1-CB 3.44Å; D684-R688 PolarHBondContact OD1-N 3.21Å; D684-R688 IonicContact OD1-NE 3.22Å; D684-R688 IonicContact OD2-CZ 2.73Å; D684-R688 IonicContact OD2-NE 3.47Å; D684-R688 PolarHBondContact OD2-NE 2.72Å; D684-R688 IonicContact OD2-NH2 3.55Å; D684-R688 PolarHBondContact OD2-NH2 3.42Å; Q686-R688 VanDerWaalsContact C-N 3.29Å; Q686-R688 HydrophobicContact CB-CG 4.32Å; Q686-R688 PolarHBondContact O-N 3.09Å
689V89.6Confident84.6Confident4 Ų473.4 Ų73.42%0.02435%0.353CS..EExtended strand (participates in β ladder)trans-90.2126.5-176.1-173.90000109A623 L645 A651 L652 I680 I683A623-V689 HydrophobicContact CB-CG1 3.87Å; A623-V689 HydrophobicContact CB-CG2 4.04Å; L645-V689 HydrophobicContact CD1-CG1 4.13Å; A651-V689 CarbonylContact C-O 3.55Å; A651-V689 VanDerWaalsContact CA-O 3.25Å; A651-V689 WeakPolarHBondContact CA-O 3.33Å; A651-V689 HydrophobicContact CB-CB 4.02Å; A651-V689 HydrophobicContact CB-CG1 3.81Å; L652-V689 PolarHBondContact N-O 2.79Å; I680-V689 HydrophobicContact CD1-CG1 3.79Å; I680-V689 HydrophobicContact CG1-CG1 4.32Å; I680-V689 HydrophobicContact CG2-CG1 3.59Å; I683-V689 HydrophobicContact CG1-CG2 4.29Å
690N90.7Very high84.1Confident37 Ų3773.2 Ų73.220%0.19835%0.354CS..EExtended strand (participates in β ladder)trans-108.9134.8174.3-64-68.9000109.4T681 E682T681-N690 PolarHBondContact N-O 2.96Å; T681-N690 PolarHBondContact OG1-O 3.26Å; E682-N690 PolarHBondContact N-O 2.79Å; E682-N690 PolarHBondContact O-N 3.43Å
691A92.8Very high83.7Confident2 Ų277.1 Ų77.12%0.01737%0.373CS..EExtended strand (participates in β ladder)trans-126.5159-177.700000111.6A651 L652 L653 V678 K679 I680A651-A691 HydrophobicContact CB-CB 3.88Å; L652-A691 PolarHBondContact O-N 2.94Å; L653-A691 WeakPolarHBondContact CD1-O 3.49Å; V678-A691 HydrophobicContact CB-CB 3.87Å; V678-A691 HydrophobicContact CG2-CB 3.84Å; K679-A691 CarbonylContact O-C 3.53Å; K679-A691 VanDerWaalsContact O-CA 3.29Å; K679-A691 WeakPolarHBondContact O-CA 3.21Å; I680-A691 HydrophobicContact CD1-CB 3.87Å
692S91.2Very high83.4Confident1 Ų177.9 Ų77.91%0.00737%0.373CS..EExtended strand (participates in β ladder)trans-138.4124.5178.2-177.10000110.8Q657 K679 T681 R694 A695Q657-S692 PolarHBondContact O-OG 3.1Å; Q657-S692 PolarHBondContact OE1-OG 3.16Å; K679-S692 PolarHBondContact N-O 3.46Å; K679-S692 PolarHBondContact O-N 3.39Å; T681-S692 VanDerWaalsContact CG2-CB 3.45Å; S692-R694 PolarHBondContact OG-N 3.14Å; S692-A695 PolarHBondContact OG-N 2.87Å; S692-A695 VanDerWaalsContact OG-N 3.08Å
693H91.4Very high83Confident47 Ų4775.9 Ų75.922%0.21836%0.364CS..SBendtrans-79.7-36.5165.8-176.862.7000110L653 Q657 I658 I676 E677 V678 A695 L696L653-H693 HydrophobicContact CD1-CB 4.39Å; Q657-H693 PolarHBondContact O-N 3.34Å; I658-H693 WeakPolarHBondContact O-CB 3.12Å; I658-H693 PolarHBondContact O-CD2 3.11Å; I676-H693 HydrophobicContact CD1-CB 3.86Å; I676-H693 HydrophobicContact CG1-CB 4.18Å; E677-H693 PolarHBondContact O-ND1 3.48Å; V678-H693 HydrophobicContact CG1-CB 4.38Å; H693-A695 PolarHBondContact O-N 3.08Å; H693-A695 VanDerWaalsContact O-N 3.12Å; H693-L696 WeakPolarHBondContact O-CB 3.27Å; H693-L696 PolarHBondContact O-N 3.15Å
694R88.1Confident82.8Confident110 Ų11076.5 Ų76.542%0.41537%0.365SS..G310 helixtrans-55.4-32.6177.4-165.1-174.591.3-179.210.2113.2S656 Q657 S659 K660 S692 L696 E697S656-R694 PolarHBondContact O-NH1 2.98Å; Q657-R694 WeakPolarHBondContact O-CB 3.41Å; Q657-R694 PolarHBondContact O-N 3.09Å; S659-R694 WeakPolarHBondContact O-CD 3.45Å; K660-R694 HydrophobicContact CG-CG 3.8Å; S692-R694 PolarHBondContact OG-N 3.14Å; R694-L696 PolarHBondContact O-N 3.21Å; R694-E697 PolarHBondContact O-N 3.47Å
695A85.4Confident82.7Confident32 Ų3280.1 Ų80.126%0.26438%0.381SS..G310 helixtrans-67.3-10.6176.700000114.1K679 S692 H693K679-A695 HydrophobicContact CB-CB 4.38Å; K679-A695 HydrophobicContact CD-CB 4.39Å; S692-A695 PolarHBondContact OG-N 2.87Å; S692-A695 VanDerWaalsContact OG-N 3.08Å; H693-A695 PolarHBondContact O-N 3.08Å; H693-A695 VanDerWaalsContact O-N 3.12Å
696L84.1Confident83Confident51 Ų5169.4 Ų69.427%0.26734%0.337SS..G310 helixtrans-98.2-17.4174.8-59.6173000113.2T628 E677 K679 H693 R694 E698T628-L696 HydrophobicContact CG2-CD1 3.94Å; T628-L696 HydrophobicContact CG2-CD2 3.24Å; T628-L696 HydrophobicContact CG2-CG 4.16Å; E677-L696 HydrophobicContact CB-CD1 3.91Å; E677-L696 HydrophobicContact CG-CD1 3.63Å; E677-L696 WeakPolarHBondContact O-CD1 3.19Å; K679-L696 HydrophobicContact CB-CD2 4.03Å; K679-L696 HydrophobicContact CB-CG 4.26Å; K679-L696 HydrophobicContact CD-CD2 4.4Å; H693-L696 WeakPolarHBondContact O-CB 3.27Å; H693-L696 PolarHBondContact O-N 3.15Å; R694-L696 PolarHBondContact O-N 3.21Å; L696-E698 PolarHBondContact O-N 3.49Å
697E76.6Confident83.5Confident68 Ų6863.4 Ų63.432%0.31831%0.31SS..  trans-80.11.9179.6-63.5-177.6154.200112.9K660 R694K660-E697 HydrophobicContact CD-CB 4.19Å; K660-E697 WeakPolarHBondContact CE-O 3.44Å; K660-E697 WeakPolarHBondContact CG-OE2 3.4Å; K660-E697 PolarHBondContact N-OE2 3.09Å; K660-E697 PolarHBondContact NZ-O 3.5Å; R694-E697 PolarHBondContact O-N 3.47Å
698E54.1Low84.4Confident224 Ų22465.7 Ų65.7100%1.04730%0.303SS*.  trans-57.10171.4-78.7-169.5170.300111.5L696L696-E698 PolarHBondContact O-N 3.49Å

Retrieved 698 of 698 residues in 2302.4 ms (Link to these results)

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