G4VQ76_SCHMA Loading...

Rcc1-related guanine nucleotide exchange factor

AlphaFold DB , UniProt , Accession G4VQ76, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 414 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
1M93.6Very high96.9Very high16 Ų1617.3 Ų17.38%0.07910%0.1CC..  0142.70177.964.78300108.9T3 I25 I26 F28 V32 I35 I44 Y409M1-T3 HydrophobicContact CG-CG2 4.24Å; M1-I25 WeakPolarHBondContact O-CA 3.33Å; M1-I26 HydrophobicContact CB-CD1 4.06Å; M1-I26 HydrophobicContact CB-CG1 3.77Å; M1-I26 HydrophobicContact CG-CD1 3.83Å; M1-I26 HydrophobicContact CG-CG1 3.96Å; M1-I26 PolarHBondContact O-N 3.48Å; M1-F28 HydrophobicContact CB-CB 4.42Å; M1-V32 HydrophobicContact CE-CB 3.82Å; M1-V32 HydrophobicContact CE-CG1 3.64Å; M1-V32 HydrophobicContact CE-CG2 3.59Å; M1-I35 HydrophobicContact CE-CD1 3.8Å; M1-I35 HydrophobicContact CE-CG1 4.14Å; M1-I35 HydrophobicContact SD-CD1 4.05Å; M1-I44 HydrophobicContact CE-CD1 4.37Å; M1-I44 HydrophobicContact CE-CG2 3.88Å; M1-Y409 HydrophobicContact CB-CD2 4.45Å; M1-Y409 HydrophobicContact CE-CD2 4.04Å; M1-Y409 HydrophobicContact SD-CD2 4.45Å
2L95.6Very high97Very high0 Ų015.8 Ų15.80%09%0.091CC..EExtended strand (participates in β ladder)trans-115.6142.8173.4-66141.3000110.4W4 P23 K24 I25 F387 F390 M407 A408 V410L2-W4 HydrophobicContact CB-CE3 4.31Å; L2-W4 HydrophobicContact CB-CZ3 3.96Å; L2-P23 HydrophobicContact CD2-CB 4Å; L2-K24 CarbonylContact C-O 3.06Å; L2-K24 VanDerWaalsContact CA-O 3.22Å; L2-K24 WeakPolarHBondContact CA-O 3.2Å; L2-I25 HydrophobicContact CD2-CG1 3.61Å; L2-I25 HydrophobicContact CG-CG1 4.44Å; L2-F387 HydrophobicContact CD1-CD1 4.15Å; L2-F387 HydrophobicContact CD1-CD2 3.76Å; L2-F387 HydrophobicContact CD1-CE1 3.95Å; L2-F387 HydrophobicContact CD1-CE2 3.56Å; L2-F387 HydrophobicContact CD1-CG 4.06Å; L2-F387 HydrophobicContact CD1-CZ 3.65Å; L2-F390 HydrophobicContact CD1-CE2 3.69Å; L2-F390 HydrophobicContact CD1-CZ 3.77Å; L2-F390 HydrophobicContact CD2-CE2 4.18Å; L2-F390 HydrophobicContact CD2-CZ 3.81Å; L2-F390 HydrophobicContact CG-CE2 4.37Å; L2-F390 HydrophobicContact CG-CZ 4.01Å; L2-M407 CarbonylContact O-C 3.54Å; L2-M407 WeakPolarHBondContact O-CA 3.14Å; L2-A408 PolarHBondContact N-O 3.06Å; L2-A408 PolarHBondContact O-N 3.47Å; L2-V410 HydrophobicContact CD1-CB 4.46Å; L2-V410 HydrophobicContact CD1-CG1 3.55Å; L2-V410 HydrophobicContact CD1-CG2 4.02Å
3T97.5Very high97Very high0 Ų015.1 Ų15.10%09%0.089CC..EExtended strand (participates in β ladder)trans-141.8141.4178.862.10000110.7M1 L12 K24 I26 S406 M407M1-T3 HydrophobicContact CG-CG2 4.24Å; T3-L12 VanDerWaalsContact CG2-O 3.28Å; T3-L12 WeakPolarHBondContact CG2-O 3.36Å; T3-L12 PolarHBondContact OG1-O 3.43Å; T3-K24 PolarHBondContact N-O 3.3Å; T3-K24 PolarHBondContact O-N 2.85Å; T3-I26 HydrophobicContact CG2-CD1 4.07Å; T3-I26 HydrophobicContact CG2-CG1 4.47Å; T3-I26 HydrophobicContact CG2-CG2 4.23Å; T3-I26 WeakPolarHBondContact OG1-CG2 3.19Å; T3-S406 WeakPolarHBondContact CA-O 3.44Å; T3-M407 HydrophobicContact CG2-CG 3.85Å
4W97Very high97Very high0 Ų016.6 Ų16.60%010%0.099CC..EExtended strand (participates in β ladder)trans-155.7167.9176.561.395000112.1L2 L12 A20 E22 P23 L337 L345 G354 M355 F387 H405 S406 A408L2-W4 HydrophobicContact CB-CE3 4.31Å; L2-W4 HydrophobicContact CB-CZ3 3.96Å; W4-L12 WeakPolarHBondContact O-CD2 3.33Å; W4-A20 HydrophobicContact CB-CB 4.5Å; W4-A20 WeakPolarHBondContact CB-O 2.95Å; W4-E22 WeakPolarHBondContact CB-O 3.49Å; W4-P23 HydrophobicContact CD2-CB 4.2Å; W4-P23 HydrophobicContact CD2-CG 3.92Å; W4-P23 HydrophobicContact CE3-CB 3.73Å; W4-P23 HydrophobicContact CE3-CG 3.91Å; W4-P23 HydrophobicContact CG-CG 4.32Å; W4-P23 HydrophobicContact CZ3-CB 4.26Å; W4-P23 HydrophobicContact CZ3-CG 4.41Å; W4-L337 HydrophobicContact CZ2-CD2 4.2Å; W4-L345 HydrophobicContact CH2-CD2 3.55Å; W4-L345 HydrophobicContact CZ2-CD2 3.87Å; W4-G354 VanDerWaalsContact CD1-O 3.24Å; W4-M355 PolarHBondContact NE1-O 3.29Å; W4-F387 HydrophobicContact CZ3-CE1 4.47Å; W4-H405 CarbonylContact O-C 3.59Å; W4-H405 WeakPolarHBondContact O-CA 3.29Å; W4-H405 WeakPolarHBondContact O-CB 3.47Å; W4-S406 VanDerWaalsContact CZ2-CB 3.4Å; W4-S406 PolarHBondContact N-O 2.71Å; W4-S406 VanDerWaalsContact NE1-CB 3.25Å; W4-S406 PolarHBondContact O-N 2.9Å; W4-A408 HydrophobicContact CH2-CB 3.77Å; W4-A408 HydrophobicContact CZ3-CB 3.86Å
5G97.5Very high96.9Very high0 Ų017.4 Ų17.40%011%0.112CC..EExtended strand (participates in β ladder)trans104.7-154.4-175.400000113.4D19 A20 H353G5-D19 WeakPolarHBondContact O-CA 3.43Å; G5-A20 PolarHBondContact N-O 3.08Å; G5-A20 PolarHBondContact O-N 3.34Å; G5-H353 CarbonylContact C-O 3.5Å; G5-H353 VanDerWaalsContact C-O 3.25Å; G5-H353 WeakPolarHBondContact CA-O 3.27Å
6A97.7Very high96.9Very high10 Ų1019.6 Ų19.68%0.08312%0.123CC..  trans-63.3138.6178.500000112.2Q11 D19 H353 G404A6-Q11 VanDerWaalsContact O-CD 3.3Å; A6-Q11 VanDerWaalsContact O-CG 3.29Å; A6-Q11 WeakPolarHBondContact O-CG 3.38Å; A6-Q11 PolarHBondContact O-NE2 2.94Å; A6-D19 WeakPolarHBondContact CA-OD1 3.36Å; A6-H353 HydrophobicContact CB-CB 4.01Å; A6-G404 WeakPolarHBondContact CB-O 3.1Å; A6-G404 PolarHBondContact N-O 3.15Å
7N97.8Very high96.8Very high0 Ų024.9 Ų24.90%015%0.15CC..  trans-140.716.4-176-161.931.6000114.4H9 G10 Q11 L12 T14 D16 D17 K18 D19N7-H9 PolarHBondContact O-N 3.32Å; N7-G10 PolarHBondContact O-N 3.49Å; N7-G10 WeakPolarHBondContact OD1-CA 3.48Å; N7-Q11 PolarHBondContact O-OE1 2.99Å; N7-Q11 PolarHBondContact OD1-N 2.79Å; N7-Q11 VanDerWaalsContact OD1-N 3.12Å; N7-L12 HydrophobicContact CB-CB 4.4Å; N7-L12 HydrophobicContact CB-CD1 3.62Å; N7-L12 HydrophobicContact CB-CG 3.66Å; N7-L12 VanDerWaalsContact CG-CG 3.49Å; N7-L12 VanDerWaalsContact OD1-CB 3.3Å; N7-L12 WeakPolarHBondContact OD1-CB 3.37Å; N7-L12 WeakPolarHBondContact OD1-CG 3.22Å; N7-L12 PolarHBondContact OD1-N 3.12Å; N7-T14 PolarHBondContact ND2-OG1 3.21Å; N7-T14 VanDerWaalsContact ND2-OG1 3.08Å; N7-D16 PolarHBondContact ND2-O 3.17Å; N7-D16 PolarHBondContact ND2-OD1 2.93Å; N7-D17 CarbonylContact C-O 3.58Å; N7-D17 CarbonylContact O-C 3.15Å; N7-D17 WeakPolarHBondContact O-CA 3.44Å; N7-D17 VanDerWaalsContact O-O 3.14Å; N7-K18 VanDerWaalsContact CB-C 3.48Å; N7-K18 WeakPolarHBondContact CB-O 3.35Å; N7-K18 PolarHBondContact ND2-N 2.68Å; N7-K18 PolarHBondContact ND2-O 2.88Å; N7-K18 VanDerWaalsContact ND2-O 3.09Å; N7-D19 PolarHBondContact N-OD1 2.87Å
8S96.9Very high96.8Very high72 Ų7231.5 Ų31.550%0.50318%0.176SC..THydrogen-bonded Turntrans-54.8-14.1-176.858.90000115.9
9H97.1Very high96.8Very high88 Ų8832 Ų3241%0.40718%0.178SC..THydrogen-bonded Turntrans-119.57176.9-59.9-60.3000113.6N7 G54 L55N7-H9 PolarHBondContact O-N 3.32Å; H9-G54 CarbonylContact O-C 3.6Å; H9-G54 VanDerWaalsContact O-C 3.22Å; H9-G54 WeakPolarHBondContact O-CA 3.44Å; H9-L55 HydrophobicContact CB-CB 3.81Å
10G97.3Very high96.6Very high1 Ų130.4 Ų30.41%0.0117%0.17CC..SBendtrans76.920.2-174.600000114N7 L12 G13N7-G10 PolarHBondContact O-N 3.49Å; N7-G10 WeakPolarHBondContact OD1-CA 3.48Å; G10-L12 PolarHBondContact O-N 2.81Å; G10-G13 PolarHBondContact O-N 2.91Å
11Q98.1Very high96.5Very high3 Ų333.2 Ų33.21%0.01418%0.178CC..THydrogen-bonded Turntrans-66-13.1-178.862.3-95.447.600114.3A6 N7 S42 C53A6-Q11 VanDerWaalsContact O-CD 3.3Å; A6-Q11 VanDerWaalsContact O-CG 3.29Å; A6-Q11 WeakPolarHBondContact O-CG 3.38Å; A6-Q11 PolarHBondContact O-NE2 2.94Å; N7-Q11 PolarHBondContact O-OE1 2.99Å; N7-Q11 PolarHBondContact OD1-N 2.79Å; N7-Q11 VanDerWaalsContact OD1-N 3.12Å; Q11-S42 WeakPolarHBondContact O-CB 3.46Å; Q11-S42 PolarHBondContact O-OG 3.07Å; Q11-C53 PolarHBondContact O-SG 3.41Å; Q11-C53 VanDerWaalsContact O-SG 3.35Å
12L98.2Very high96.4Very high0 Ų036.4 Ų36.40%019%0.193CC..THydrogen-bonded Turntrans-81.2-17.4172.4-59-172000112.8T3 W4 N7 G10 T14 A20 H405T3-L12 VanDerWaalsContact CG2-O 3.28Å; T3-L12 WeakPolarHBondContact CG2-O 3.36Å; T3-L12 PolarHBondContact OG1-O 3.43Å; W4-L12 WeakPolarHBondContact O-CD2 3.33Å; N7-L12 HydrophobicContact CB-CB 4.4Å; N7-L12 HydrophobicContact CB-CD1 3.62Å; N7-L12 HydrophobicContact CB-CG 3.66Å; N7-L12 VanDerWaalsContact CG-CG 3.49Å; N7-L12 VanDerWaalsContact OD1-CB 3.3Å; N7-L12 WeakPolarHBondContact OD1-CB 3.37Å; N7-L12 WeakPolarHBondContact OD1-CG 3.22Å; N7-L12 PolarHBondContact OD1-N 3.12Å; G10-L12 PolarHBondContact O-N 2.81Å; L12-T14 VanDerWaalsContact C-N 3.27Å; L12-T14 HydrophobicContact CB-CG2 3.81Å; L12-T14 HydrophobicContact CD1-CG2 4.49Å; L12-T14 PolarHBondContact O-N 3.23Å; L12-A20 HydrophobicContact CD1-CB 3.58Å; L12-H405 HydrophobicContact CD2-CB 3.61Å
13G97.4Very high96.3Very high6 Ų637.4 Ų37.46%0.06220%0.199CC..  trans70.721.7-177.900000114.2G10 G15 N68G10-G13 PolarHBondContact O-N 2.91Å; G13-G15 VanDerWaalsContact C-N 3.35Å; G13-N68 CarbonylContact C-O 3.33Å; G13-N68 WeakPolarHBondContact CA-O 3.11Å
14T96.3Very high96.1Very high36 Ų3641.4 Ų41.422%0.22122%0.217CC..SBendtrans-80.8-9.1-176.848.10000114.4N7 L12 D16 K24 I26 N68N7-T14 PolarHBondContact ND2-OG1 3.21Å; N7-T14 VanDerWaalsContact ND2-OG1 3.08Å; L12-T14 VanDerWaalsContact C-N 3.27Å; L12-T14 HydrophobicContact CB-CG2 3.81Å; L12-T14 HydrophobicContact CD1-CG2 4.49Å; L12-T14 PolarHBondContact O-N 3.23Å; T14-D16 VanDerWaalsContact C-N 3.34Å; T14-D16 PolarHBondContact OG1-OD1 3.03Å; T14-K24 HydrophobicContact CG2-CD 4.46Å; T14-I26 HydrophobicContact CG2-CG2 3.83Å; T14-N68 PolarHBondContact N-O 2.96Å
15G95.9Very high95.9Very high29 Ų2945.8 Ų45.830%0.29924%0.239SC..SBendtrans83.66.7-171.400000114.9G13 N68 H69G13-G15 VanDerWaalsContact C-N 3.35Å; G15-N68 WeakPolarHBondContact CA-O 3.41Å; G15-N68 PolarHBondContact N-O 2.81Å; G15-N68 PolarHBondContact O-ND2 3.14Å; G15-H69 WeakPolarHBondContact CA-CE1 3.47Å
16D96Very high95.7Very high53 Ų5346.4 Ų46.428%0.28324%0.242SC..SBendtrans-137.1-179172.562.536.4000110.9N7 T14 K18N7-D16 PolarHBondContact ND2-O 3.17Å; N7-D16 PolarHBondContact ND2-OD1 2.93Å; T14-D16 VanDerWaalsContact C-N 3.34Å; T14-D16 PolarHBondContact OG1-OD1 3.03Å; D16-K18 PolarHBondContact OD1-N 3.3Å
17D95.9Very high95.3Very high109 Ų10953.6 Ų53.658%0.58328%0.28SS*.  trans-115.521.4178.658.9-3.3000112.5N7N7-D17 CarbonylContact C-O 3.58Å; N7-D17 CarbonylContact O-C 3.15Å; N7-D17 WeakPolarHBondContact O-CA 3.44Å; N7-D17 VanDerWaalsContact O-O 3.14Å
18K96.6Very high95.1Very high144 Ų14454.9 Ų54.963%0.62629%0.285SS*.  trans-97.8129.7-176.1-64.6-178-179.4178.10111.3N7 D16N7-K18 VanDerWaalsContact CB-C 3.48Å; N7-K18 WeakPolarHBondContact CB-O 3.35Å; N7-K18 PolarHBondContact ND2-N 2.68Å; N7-K18 PolarHBondContact ND2-O 2.88Å; N7-K18 VanDerWaalsContact ND2-O 3.09Å; D16-K18 PolarHBondContact OD1-N 3.3Å
19D96.1Very high94.8Very high41 Ų4157.2 Ų57.222%0.21930%0.296CS..  trans-51.3144.9173.6-72.39.3000110.7G5 A6 N7 Y21 H353G5-D19 WeakPolarHBondContact O-CA 3.43Å; A6-D19 WeakPolarHBondContact CA-OD1 3.36Å; N7-D19 PolarHBondContact N-OD1 2.87Å; D19-Y21 HydrophobicContact CB-CE2 4.1Å; D19-H353 IonicContact OD2-CE1 3.93Å; D19-H353 IonicContact OD2-CG 2.77Å; D19-H353 IonicContact OD2-ND1 2.9Å; D19-H353 PolarHBondContact OD2-ND1 3.08Å
20A94.6Very high94.6Very high0 Ų056.1 Ų56.10%029%0.294CS..EExtended strand (participates in β ladder)trans-121105179.600000109.5W4 G5 L12 E22 K24W4-A20 HydrophobicContact CB-CB 4.5Å; W4-A20 WeakPolarHBondContact CB-O 2.95Å; G5-A20 PolarHBondContact N-O 3.08Å; G5-A20 PolarHBondContact O-N 3.34Å; L12-A20 HydrophobicContact CD1-CB 3.58Å; A20-E22 VanDerWaalsContact C-N 3.26Å; A20-E22 PolarHBondContact O-N 2.77Å; A20-K24 HydrophobicContact CB-CD 3.71Å; A20-K24 HydrophobicContact CB-CG 4.12Å
21Y93Very high94.5Very high90 Ų9060 Ų6035%0.35332%0.319SS..EExtended strand (participates in β ladder)trans-78-10.7-176.5-64.2-88.3000114.6D19 E352 G357 I359 V375D19-Y21 HydrophobicContact CB-CE2 4.1Å; Y21-E352 WeakPolarHBondContact CE1-O 3.46Å; Y21-G357 CarbonylContact O-C 3.35Å; Y21-G357 VanDerWaalsContact O-CA 3.31Å; Y21-G357 WeakPolarHBondContact O-CA 3.42Å; Y21-I359 VanDerWaalsContact O-CG2 3.32Å; Y21-I359 WeakPolarHBondContact O-CG2 3.49Å; Y21-V375 HydrophobicContact CD1-CB 4.32Å; Y21-V375 HydrophobicContact CD1-CG1 3.76Å; Y21-V375 HydrophobicContact CD1-CG2 3.54Å; Y21-V375 HydrophobicContact CE1-CB 4.35Å; Y21-V375 HydrophobicContact CE1-CG1 3.96Å; Y21-V375 HydrophobicContact CE1-CG2 3.58Å; Y21-V375 HydrophobicContact CG-CG2 4.23Å
22E91.8Very high94.5Very high83 Ų8360.2 Ų60.239%0.38832%0.32SS..EExtended strand (participates in β ladder)trans-128.3155.2172.9-67.7-175.8105.200110.1W4 A20 K24 I359W4-E22 WeakPolarHBondContact CB-O 3.49Å; A20-E22 VanDerWaalsContact C-N 3.26Å; A20-E22 PolarHBondContact O-N 2.77Å; E22-K24 PolarHBondContact O-N 3.38Å; E22-K24 VanDerWaalsContact O-N 3.14Å; E22-I359 HydrophobicContact CG-CB 4.38Å; E22-I359 HydrophobicContact CG-CD1 3.66Å; E22-I359 HydrophobicContact CG-CG1 3.7Å; E22-I359 HydrophobicContact CG-CG2 3.77Å; E22-I359 WeakPolarHBondContact OE1-CD1 2.9Å; E22-I359 WeakPolarHBondContact OE2-CD1 3.48Å
23P94Very high94.4Very high21 Ų2160.9 Ų60.914%0.13633%0.326CS..EExtended strand (participates in β ladder)trans-53.6115.5173.9-26.736000113.1L2 W4 I385 F387L2-P23 HydrophobicContact CD2-CB 4Å; W4-P23 HydrophobicContact CD2-CB 4.2Å; W4-P23 HydrophobicContact CD2-CG 3.92Å; W4-P23 HydrophobicContact CE3-CB 3.73Å; W4-P23 HydrophobicContact CE3-CG 3.91Å; W4-P23 HydrophobicContact CG-CG 4.32Å; W4-P23 HydrophobicContact CZ3-CB 4.26Å; W4-P23 HydrophobicContact CZ3-CG 4.41Å; P23-I385 HydrophobicContact CG-CD1 3.41Å; P23-I385 VanDerWaalsContact CG-CD1 3.41Å; P23-I385 HydrophobicContact CG-CG1 4.47Å; P23-F387 HydrophobicContact CB-CD1 3.63Å; P23-F387 HydrophobicContact CB-CE1 3.71Å; P23-F387 HydrophobicContact CG-CD1 3.7Å; P23-F387 HydrophobicContact CG-CE1 3.63Å
24K92.8Very high94.4Very high84 Ų8462.5 Ų62.537%0.36533%0.333SS..EExtended strand (participates in β ladder)trans-101.9134.9173.3-69.5-177.9-177.5171.10110.7L2 T3 T14 A20 E22L2-K24 CarbonylContact C-O 3.06Å; L2-K24 VanDerWaalsContact CA-O 3.22Å; L2-K24 WeakPolarHBondContact CA-O 3.2Å; T3-K24 PolarHBondContact N-O 3.3Å; T3-K24 PolarHBondContact O-N 2.85Å; T14-K24 HydrophobicContact CG2-CD 4.46Å; A20-K24 HydrophobicContact CB-CD 3.71Å; A20-K24 HydrophobicContact CB-CG 4.12Å; E22-K24 PolarHBondContact O-N 3.38Å; E22-K24 VanDerWaalsContact O-N 3.14Å
25I93.1Very high94.6Very high92 Ų9261.7 Ų61.747%0.47233%0.327SS..EExtended strand (participates in β ladder)trans-75.3130.9169.4-58.4161.8000107.7M1 L2 C389 F390M1-I25 WeakPolarHBondContact O-CA 3.33Å; L2-I25 HydrophobicContact CD2-CG1 3.61Å; L2-I25 HydrophobicContact CG-CG1 4.44Å; I25-C389 HydrophobicContact CD1-CB 3.91Å; I25-C389 HydrophobicContact CG1-CB 4.46Å; I25-F390 HydrophobicContact CD1-CD1 3.93Å; I25-F390 HydrophobicContact CD1-CE1 3.25Å; I25-F390 HydrophobicContact CD1-CZ 3.98Å; I25-F390 HydrophobicContact CG1-CE1 3.69Å; I25-F390 HydrophobicContact CG1-CZ 3.9Å
26I94Very high94.7Very high12 Ų1261 Ų616%0.06232%0.318CS..PPolyproline II helixtrans-102.6152.6171.963.5166.4000110.9M1 T3 T14 F28 F70M1-I26 HydrophobicContact CB-CD1 4.06Å; M1-I26 HydrophobicContact CB-CG1 3.77Å; M1-I26 HydrophobicContact CG-CD1 3.83Å; M1-I26 HydrophobicContact CG-CG1 3.96Å; M1-I26 PolarHBondContact O-N 3.48Å; T3-I26 HydrophobicContact CG2-CD1 4.07Å; T3-I26 HydrophobicContact CG2-CG1 4.47Å; T3-I26 HydrophobicContact CG2-CG2 4.23Å; T3-I26 WeakPolarHBondContact OG1-CG2 3.19Å; T14-I26 HydrophobicContact CG2-CG2 3.83Å; I26-F28 VanDerWaalsContact C-N 3.26Å; I26-F28 HydrophobicContact CD1-CB 3.95Å; I26-F28 HydrophobicContact CG1-CB 4.04Å; I26-F28 PolarHBondContact O-N 2.82Å; I26-F70 HydrophobicContact CD1-CD2 3.53Å; I26-F70 HydrophobicContact CD1-CE2 3.57Å
27N89.5Confident94.8Very high162 Ų16258.7 Ų58.787%0.86631%0.306SS*.SBendtrans-75.777.6174.8-171.120.5000110.7
28F92.7Very high94.9Very high26 Ų2653.5 Ų53.511%0.11428%0.279CS..  trans-136.1113.2176.6-170.1-89.6000109.4M1 I26 D30 V32 I44 F51 F70M1-F28 HydrophobicContact CB-CB 4.42Å; I26-F28 VanDerWaalsContact C-N 3.26Å; I26-F28 HydrophobicContact CD1-CB 3.95Å; I26-F28 HydrophobicContact CG1-CB 4.04Å; I26-F28 PolarHBondContact O-N 2.82Å; F28-D30 HydrophobicContact CD1-CB 4.49Å; F28-D30 HydrophobicContact CE1-CB 3.65Å; F28-D30 WeakPolarHBondContact CE1-O 3.29Å; F28-D30 HydrophobicContact CZ-CB 3.79Å; F28-V32 HydrophobicContact CD1-CG2 4.06Å; F28-V32 HydrophobicContact CE1-CG2 3.55Å; F28-I44 HydrophobicContact CD1-CD1 3.95Å; F28-I44 HydrophobicContact CD2-CD1 4.08Å; F28-I44 HydrophobicContact CE1-CD1 3.55Å; F28-I44 HydrophobicContact CE2-CD1 3.7Å; F28-I44 HydrophobicContact CG-CD1 4.2Å; F28-I44 HydrophobicContact CZ-CD1 3.41Å; F28-I44 VanDerWaalsContact CZ-CD1 3.41Å; F28-I44 HydrophobicContact CZ-CG1 4.22Å; F28-F51 HydrophobicContact CE2-CB 4.39Å; F28-F51 AromaticContact CE2-CD1 3.84Å; F28-F51 HydrophobicContact CE2-CD1 3.84Å; F28-F51 HydrophobicContact CE2-CE1 4.22Å; F28-F51 HydrophobicContact CE2-CG 4.03Å; F28-F51 HydrophobicContact CZ-CB 4.47Å; F28-F51 AromaticContact CZ-CD1 3.97Å; F28-F51 HydrophobicContact CZ-CD1 3.97Å; F28-F51 AromaticContact CZ-CD2 3.94Å; F28-F51 HydrophobicContact CZ-CD2 3.94Å; F28-F51 HydrophobicContact CZ-CE1 4.13Å; F28-F51 HydrophobicContact CZ-CE2 4.12Å; F28-F51 AromaticContact CZ-CG 3.88Å; F28-F51 HydrophobicContact CZ-CG 3.88Å; F28-F51 HydrophobicContact CZ-CZ 4.2Å; F28-F70 HydrophobicContact CD2-CB 3.77Å; F28-F70 HydrophobicContact CD2-CG 4.5Å; F28-F70 HydrophobicContact CE2-CB 3.75Å
29T90.1Very high95Very high121 Ų12147.4 Ų47.474%0.74226%0.257SS*.  trans-102.3-18.3-170.153.50000114.4
30D93.6Very high95.1Very high65 Ų6545.5 Ų45.535%0.34825%0.247SC..SBendtrans-64.6145.6177.8-71.2-39.8000110.5F28 F51F28-D30 HydrophobicContact CD1-CB 4.49Å; F28-D30 HydrophobicContact CE1-CB 3.65Å; F28-D30 WeakPolarHBondContact CE1-O 3.29Å; F28-D30 HydrophobicContact CZ-CB 3.79Å; D30-F51 HydrophobicContact CB-CZ 4.32Å; D30-F51 WeakPolarHBondContact OD2-CE1 3.47Å; D30-F51 VanDerWaalsContact OD2-CZ 3.27Å; D30-F51 WeakPolarHBondContact OD2-CZ 3.27Å
31P94.9Very high95.2Very high84 Ų8445.5 Ų45.555%0.54525%0.247SC..  trans-54.8147.9169.9-23.633.6000110.8N46P31-N46 WeakPolarHBondContact O-CB 3.35Å
32V97.1Very high95.5Very high6 Ų641.2 Ų41.24%0.03623%0.23CC..  trans-127.7136.2173.6178.10000108.8M1 F28 L34 I35 I44 S45 Y398 Y409M1-V32 HydrophobicContact CE-CB 3.82Å; M1-V32 HydrophobicContact CE-CG1 3.64Å; M1-V32 HydrophobicContact CE-CG2 3.59Å; F28-V32 HydrophobicContact CD1-CG2 4.06Å; F28-V32 HydrophobicContact CE1-CG2 3.55Å; V32-L34 VanDerWaalsContact CG1-O 3.31Å; V32-L34 WeakPolarHBondContact CG1-O 2.98Å; V32-I35 HydrophobicContact CG1-CD1 4.36Å; V32-I35 HydrophobicContact CG1-CG1 3.78Å; V32-I44 HydrophobicContact CG1-CB 4.03Å; V32-I44 HydrophobicContact CG1-CG2 4.43Å; V32-I44 HydrophobicContact CG2-CB 4.42Å; V32-I44 HydrophobicContact CG2-CD1 4.16Å; V32-S45 CarbonylContact C-O 3.58Å; V32-S45 WeakPolarHBondContact CA-O 3.43Å; V32-Y398 WeakPolarHBondContact O-CD2 3.27Å; V32-Y398 WeakPolarHBondContact O-CE2 2.87Å; V32-Y409 HydrophobicContact CB-CD2 3.69Å; V32-Y409 HydrophobicContact CB-CE2 4.08Å; V32-Y409 HydrophobicContact CB-CG 3.97Å; V32-Y409 HydrophobicContact CG2-CD2 3.94Å; V32-Y409 HydrophobicContact CG2-CE2 4.12Å
33A97.2Very high95.8Very high14 Ų1437.3 Ų37.312%0.11621%0.211CC..SBendtrans-119.6-24.2177.900000112.9S45 E47 Y398A33-S45 PolarHBondContact N-O 2.83Å; A33-E47 HydrophobicContact CB-CG 3.64Å; A33-Y398 VanDerWaalsContact O-CD1 3.28Å; A33-Y398 WeakPolarHBondContact O-CD1 3.25Å; A33-Y398 WeakPolarHBondContact O-CE1 3.21Å
34L98.3Very high96.1Very high41 Ų4136.3 Ų36.322%0.21521%0.205CC..EExtended strand (participates in β ladder)trans-135.5144.9179.8-51.2165.9000110.6V32 I44 S45 V81 V84V32-L34 VanDerWaalsContact CG1-O 3.31Å; V32-L34 WeakPolarHBondContact CG1-O 2.98Å; L34-I44 CarbonylContact O-C 3.56Å; L34-I44 VanDerWaalsContact O-CA 3.27Å; L34-I44 WeakPolarHBondContact O-CA 3.4Å; L34-S45 PolarHBondContact N-O 2.88Å; L34-S45 PolarHBondContact O-N 2.86Å; L34-V81 HydrophobicContact CD1-CG1 3.81Å; L34-V84 HydrophobicContact CB-CG2 3.85Å; L34-V84 HydrophobicContact CD1-CG1 4.47Å
35I98.6Very high96.3Very high18 Ų1832.3 Ų32.39%0.09219%0.187CC..EExtended strand (participates in β ladder)trans-140.5130-178.2-55.9179.4000108.5M1 V32 I44 M407M1-I35 HydrophobicContact CE-CD1 3.8Å; M1-I35 HydrophobicContact CE-CG1 4.14Å; M1-I35 HydrophobicContact SD-CD1 4.05Å; V32-I35 HydrophobicContact CG1-CD1 4.36Å; V32-I35 HydrophobicContact CG1-CG1 3.78Å; I35-I44 HydrophobicContact CG1-CG2 4.27Å; I35-I44 HydrophobicContact CG2-CG2 4.34Å; I35-M407 HydrophobicContact CG2-CB 3.58Å; I35-M407 HydrophobicContact CG2-CE 3.69Å; I35-M407 HydrophobicContact CG2-CG 4.37Å; I35-M407 HydrophobicContact CG2-SD 3.96Å
36S98.7Very high96.5Very high16 Ų1629.2 Ų29.211%0.11217%0.172CC..EExtended strand (participates in β ladder)trans-149.9146.6172.1-171.50000110.8L43 S85 C86S36-L43 PolarHBondContact N-O 3.07Å; S36-L43 PolarHBondContact O-N 3.42Å; S36-L43 VanDerWaalsContact O-O 3.07Å; S36-S85 WeakPolarHBondContact OG-CA 3.43Å; S36-C86 PolarHBondContact OG-N 3.02Å
37G98.5Very high96.5Very high4 Ų433.4 Ų33.44%0.04119%0.191CC..EExtended strand (participates in β ladder)trans-129.1149.2175.300000112H41 C86 C401 G402G37-H41 CarbonylContact C-O 3.59Å; G37-H41 WeakPolarHBondContact CA-O 3.28Å; G37-C86 WeakPolarHBondContact O-CB 3.44Å; G37-C401 WeakPolarHBondContact CA-O 3.28Å; G37-C401 PolarHBondContact N-O 3.26Å; G37-G402 VanDerWaalsContact CA-CA 3.47Å; G37-G402 WeakPolarHBondContact O-CA 3.41Å
38G98.4Very high96.8Very high0 Ų030.1 Ų30.10%017%0.174CC..  trans-103-152.5174.500000112.7H41 C86 G87 Y403G38-H41 PolarHBondContact N-O 2.7Å; G38-C86 VanDerWaalsContact N-CB 3.34Å; G38-G87 WeakPolarHBondContact CA-O 3.15Å; G38-Y403 PolarHBondContact O-N 2.94Å
39G97.6Very high97Very high16 Ų1631.3 Ų31.317%0.16518%0.181CC..SBendtrans-71-30.6177.400000113.7W88G39-W88 WeakPolarHBondContact CA-O 3.37Å; G39-W88 PolarHBondContact N-O 2.77Å
40G97.6Very high97.4Very high1 Ų125.6 Ų25.61%0.0115%0.146CC..SBendtrans-151.717.6-179.500000113.9G54 L55G40-G54 WeakPolarHBondContact O-CA 3.34Å; G40-L55 VanDerWaalsContact O-CB 3.31Å; G40-L55 WeakPolarHBondContact O-CB 3.45Å; G40-L55 PolarHBondContact O-N 2.86Å
41H98.5Very high97.6Very high0 Ų023.1 Ų23.10%013%0.132CC..EExtended strand (participates in β ladder)trans-141.9165.6179.970.5-67.5000112G37 G38 C53 Q60 L61 S91G37-H41 CarbonylContact C-O 3.59Å; G37-H41 WeakPolarHBondContact CA-O 3.28Å; G38-H41 PolarHBondContact N-O 2.7Å; H41-C53 CarbonylContact C-O 3.54Å; H41-C53 VanDerWaalsContact CA-O 3.28Å; H41-C53 WeakPolarHBondContact CA-O 3.49Å; H41-C53 WeakPolarHBondContact CB-O 3.24Å; H41-Q60 HydrophobicContact CB-CG 4.1Å; H41-L61 HydrophobicContact CB-CD2 3.55Å; H41-S91 PolarHBondContact NE2-OG 2.86Å
42S98.7Very high97.7Very high0 Ų019.1 Ų19.10%011%0.106CC..EExtended strand (participates in β ladder)trans-135.5146.2177.6-61.90000111.2Q11 S52 C53 H405Q11-S42 WeakPolarHBondContact O-CB 3.46Å; Q11-S42 PolarHBondContact O-OG 3.07Å; S42-S52 VanDerWaalsContact O-CA 3.29Å; S42-S52 WeakPolarHBondContact O-CA 3.45Å; S42-C53 PolarHBondContact N-O 2.8Å; S42-C53 PolarHBondContact O-N 3Å; S42-C53 VanDerWaalsContact O-N 3.17Å; S42-H405 PolarHBondContact OG-NE2 2.84Å
43L98.7Very high97.8Very high0 Ų018.9 Ų18.90%011%0.105CC..EExtended strand (participates in β ladder)trans-122.7135.3170.8-62.2-175.9000110.1S36 I50 F51 I73 V84 C86 W103S36-L43 PolarHBondContact N-O 3.07Å; S36-L43 PolarHBondContact O-N 3.42Å; S36-L43 VanDerWaalsContact O-O 3.07Å; L43-I50 HydrophobicContact CB-CG2 4.31Å; L43-I50 HydrophobicContact CD1-CG2 4.44Å; L43-I50 HydrophobicContact CD2-CG2 4Å; L43-I50 HydrophobicContact CG-CG2 4.49Å; L43-F51 WeakPolarHBondContact CA-O 3.42Å; L43-I73 HydrophobicContact CD2-CD1 4.23Å; L43-V84 HydrophobicContact CB-CG2 4.49Å; L43-V84 HydrophobicContact CD1-CB 4.43Å; L43-C86 VanDerWaalsContact CD1-SG 3.58Å; L43-C86 VanDerWaalsContact CG-SG 3.51Å; L43-W103 HydrophobicContact CD1-CH2 4.29Å; L43-W103 HydrophobicContact CD1-CZ2 3.67Å; L43-W103 HydrophobicContact CD2-CZ2 4.23Å
44I98.4Very high97.8Very high0 Ų018.2 Ų18.20%010%0.099CC..EExtended strand (participates in β ladder)trans-129.8150.3167.261.8-176.8000109.1M1 F28 V32 L34 I35 I50 F51 F70M1-I44 HydrophobicContact CE-CD1 4.37Å; M1-I44 HydrophobicContact CE-CG2 3.88Å; F28-I44 HydrophobicContact CD1-CD1 3.95Å; F28-I44 HydrophobicContact CD2-CD1 4.08Å; F28-I44 HydrophobicContact CE1-CD1 3.55Å; F28-I44 HydrophobicContact CE2-CD1 3.7Å; F28-I44 HydrophobicContact CG-CD1 4.2Å; F28-I44 HydrophobicContact CZ-CD1 3.41Å; F28-I44 VanDerWaalsContact CZ-CD1 3.41Å; F28-I44 HydrophobicContact CZ-CG1 4.22Å; V32-I44 HydrophobicContact CG1-CB 4.03Å; V32-I44 HydrophobicContact CG1-CG2 4.43Å; V32-I44 HydrophobicContact CG2-CB 4.42Å; V32-I44 HydrophobicContact CG2-CD1 4.16Å; L34-I44 CarbonylContact O-C 3.56Å; L34-I44 VanDerWaalsContact O-CA 3.27Å; L34-I44 WeakPolarHBondContact O-CA 3.4Å; I35-I44 HydrophobicContact CG1-CG2 4.27Å; I35-I44 HydrophobicContact CG2-CG2 4.34Å; I44-I50 WeakPolarHBondContact O-CA 3.37Å; I44-F51 HydrophobicContact CD1-CB 4.33Å; I44-F51 HydrophobicContact CG1-CB 3.75Å; I44-F51 HydrophobicContact CG1-CD2 4.31Å; I44-F51 HydrophobicContact CG1-CG 4.38Å; I44-F51 PolarHBondContact N-O 3.15Å; I44-F51 PolarHBondContact O-N 2.79Å; I44-F70 HydrophobicContact CB-CE1 4.41Å; I44-F70 HydrophobicContact CD1-CB 4.09Å; I44-F70 HydrophobicContact CD1-CD1 3.55Å; I44-F70 HydrophobicContact CD1-CD2 4.04Å; I44-F70 HydrophobicContact CD1-CE1 3.9Å; I44-F70 HydrophobicContact CD1-CE2 4.36Å; I44-F70 HydrophobicContact CD1-CG 3.61Å; I44-F70 HydrophobicContact CD1-CZ 4.28Å; I44-F70 HydrophobicContact CG1-CD1 3.65Å; I44-F70 HydrophobicContact CG1-CE1 3.88Å; I44-F70 HydrophobicContact CG1-CG 4.22Å; I44-F70 HydrophobicContact CG2-CD1 4.5Å; I44-F70 HydrophobicContact CG2-CE1 3.85Å; I44-F70 HydrophobicContact CG2-CZ 4.09Å
45S98.1Very high97.8Very high0 Ų018.1 Ų18.10%010%0.099CC..EExtended strand (participates in β ladder)trans-131.6142.8179174.80000111.5V32 A33 L34 E47 N49 V81V32-S45 CarbonylContact C-O 3.58Å; V32-S45 WeakPolarHBondContact CA-O 3.43Å; A33-S45 PolarHBondContact N-O 2.83Å; L34-S45 PolarHBondContact N-O 2.88Å; L34-S45 PolarHBondContact O-N 2.86Å; S45-E47 PolarHBondContact OG-N 3Å; S45-E47 VanDerWaalsContact OG-N 3.07Å; S45-N49 VanDerWaalsContact CA-O 3.27Å; S45-N49 WeakPolarHBondContact CA-O 3.38Å; S45-N49 PolarHBondContact OG-O 2.76Å; S45-V81 WeakPolarHBondContact OG-CB 3.46Å
46N96.5Very high97.8Very high27 Ų2717.8 Ų17.814%0.14410%0.097CC..  trans-104.329.5171.274.5-1.1000112.2P31 N48 N49 F51P31-N46 WeakPolarHBondContact O-CB 3.35Å; N46-N48 PolarHBondContact O-N 3.18Å; N46-N48 PolarHBondContact OD1-N 2.96Å; N46-N49 PolarHBondContact N-O 3.17Å; N46-N49 VanDerWaalsContact N-O 3.15Å; N46-N49 PolarHBondContact OD1-N 3.05Å; N46-N49 PolarHBondContact OD1-O 3.06Å; N46-F51 HydrophobicContact CB-CE2 4.23Å
47E94.5Very high97.7Very high100 Ų10021.3 Ų21.347%0.46712%0.122SC..SBendtrans70.9-34.6-174-50.8-175.9159.200114.1A33 S45 T80 V81A33-E47 HydrophobicContact CB-CG 3.64Å; S45-E47 PolarHBondContact OG-N 3Å; S45-E47 VanDerWaalsContact OG-N 3.07Å; E47-T80 HydrophobicContact CB-CG2 3.56Å; E47-T80 CarbonylContact O-C 3.54Å; E47-T80 WeakPolarHBondContact O-CA 3.2Å; E47-T80 WeakPolarHBondContact O-CG2 3.17Å; E47-V81 PolarHBondContact O-N 2.93Å
48N95.1Very high97.6Very high93 Ų9322.8 Ų22.850%0.49713%0.13SC..SBendtrans-97.1-32.4-179.4-62.3-55.2000112.9N46N46-N48 PolarHBondContact O-N 3.18Å; N46-N48 PolarHBondContact OD1-N 2.96Å
49N97.2Very high97.5Very high52 Ų5222.8 Ų22.828%0.27813%0.13SC..  trans-132.3151.9-175.4-59.3-72000110.7S45 N46 F51 I72S45-N49 VanDerWaalsContact CA-O 3.27Å; S45-N49 WeakPolarHBondContact CA-O 3.38Å; S45-N49 PolarHBondContact OG-O 2.76Å; N46-N49 PolarHBondContact N-O 3.17Å; N46-N49 VanDerWaalsContact N-O 3.15Å; N46-N49 PolarHBondContact OD1-N 3.05Å; N46-N49 PolarHBondContact OD1-O 3.06Å; N49-F51 HydrophobicContact CB-CE2 3.97Å; N49-F51 HydrophobicContact CB-CZ 4.24Å; N49-I72 HydrophobicContact CB-CD1 3.93Å; N49-I72 HydrophobicContact CB-CG1 4.21Å; N49-I72 WeakPolarHBondContact OD1-CD1 3.32Å
50I98.3Very high97.5Very high0 Ų022.1 Ų22.10%012%0.123CC..EExtended strand (participates in β ladder)trans-106.7135.3169.6-55.2-178.4000108L43 I44 I73 F77 V81 V84 A93 W103L43-I50 HydrophobicContact CB-CG2 4.31Å; L43-I50 HydrophobicContact CD1-CG2 4.44Å; L43-I50 HydrophobicContact CD2-CG2 4Å; L43-I50 HydrophobicContact CG-CG2 4.49Å; I44-I50 WeakPolarHBondContact O-CA 3.37Å; I50-I73 HydrophobicContact CB-CD1 3.98Å; I50-I73 HydrophobicContact CB-CG1 4.43Å; I50-I73 HydrophobicContact CG2-CD1 3.62Å; I50-I73 HydrophobicContact CG2-CG1 4.37Å; I50-I73 WeakPolarHBondContact O-CB 3.45Å; I50-I73 WeakPolarHBondContact O-CG1 3.09Å; I50-I73 PolarHBondContact O-N 3.47Å; I50-F77 HydrophobicContact CB-CD2 4.22Å; I50-F77 HydrophobicContact CB-CE2 3.91Å; I50-F77 HydrophobicContact CD1-CD1 4.02Å; I50-F77 HydrophobicContact CD1-CD2 3.97Å; I50-F77 HydrophobicContact CD1-CE1 3.82Å; I50-F77 HydrophobicContact CD1-CE2 3.76Å; I50-F77 HydrophobicContact CD1-CG 4.08Å; I50-F77 HydrophobicContact CD1-CZ 3.67Å; I50-F77 HydrophobicContact CG1-CD2 3.84Å; I50-F77 HydrophobicContact CG1-CE2 3.86Å; I50-F77 HydrophobicContact CG1-CG 4.25Å; I50-F77 HydrophobicContact CG1-CZ 4.3Å; I50-V81 HydrophobicContact CD1-CG1 4Å; I50-V81 HydrophobicContact CD1-CG2 4.09Å; I50-V81 HydrophobicContact CG1-CG1 4.09Å; I50-V81 HydrophobicContact CG1-CG2 3.73Å; I50-V84 HydrophobicContact CD1-CG1 3.74Å; I50-V84 HydrophobicContact CG1-CG1 4.26Å; I50-A93 HydrophobicContact CD1-CB 3.72Å; I50-W103 HydrophobicContact CD1-CH2 3.88Å
51F98.1Very high97.6Very high14 Ų1422 Ų226%0.06112%0.122CC..EExtended strand (participates in β ladder)trans-114.9143174.5-52.9-106.3000109.3F28 D30 L43 I44 N46 N49 F70 K71 I72F28-F51 HydrophobicContact CE2-CB 4.39Å; F28-F51 AromaticContact CE2-CD1 3.84Å; F28-F51 HydrophobicContact CE2-CD1 3.84Å; F28-F51 HydrophobicContact CE2-CE1 4.22Å; F28-F51 HydrophobicContact CE2-CG 4.03Å; F28-F51 HydrophobicContact CZ-CB 4.47Å; F28-F51 AromaticContact CZ-CD1 3.97Å; F28-F51 HydrophobicContact CZ-CD1 3.97Å; F28-F51 AromaticContact CZ-CD2 3.94Å; F28-F51 HydrophobicContact CZ-CD2 3.94Å; F28-F51 HydrophobicContact CZ-CE1 4.13Å; F28-F51 HydrophobicContact CZ-CE2 4.12Å; F28-F51 AromaticContact CZ-CG 3.88Å; F28-F51 HydrophobicContact CZ-CG 3.88Å; F28-F51 HydrophobicContact CZ-CZ 4.2Å; D30-F51 HydrophobicContact CB-CZ 4.32Å; D30-F51 WeakPolarHBondContact OD2-CE1 3.47Å; D30-F51 VanDerWaalsContact OD2-CZ 3.27Å; D30-F51 WeakPolarHBondContact OD2-CZ 3.27Å; L43-F51 WeakPolarHBondContact CA-O 3.42Å; I44-F51 HydrophobicContact CD1-CB 4.33Å; I44-F51 HydrophobicContact CG1-CB 3.75Å; I44-F51 HydrophobicContact CG1-CD2 4.31Å; I44-F51 HydrophobicContact CG1-CG 4.38Å; I44-F51 PolarHBondContact N-O 3.15Å; I44-F51 PolarHBondContact O-N 2.79Å; N46-F51 HydrophobicContact CB-CE2 4.23Å; N49-F51 HydrophobicContact CB-CE2 3.97Å; N49-F51 HydrophobicContact CB-CZ 4.24Å; F51-F70 HydrophobicContact CB-CB 4.2Å; F51-F70 HydrophobicContact CB-CD1 4.34Å; F51-K71 CarbonylContact C-O 3.47Å; F51-K71 VanDerWaalsContact CA-O 3.24Å; F51-K71 WeakPolarHBondContact CA-O 3.31Å; F51-I72 HydrophobicContact CD1-CB 4.06Å; F51-I72 HydrophobicContact CE1-CB 4.05Å
52S98.4Very high97.6Very high0 Ų022.1 Ų22.10%012%0.123CC..EExtended strand (participates in β ladder)trans-135.4143.7-175.363.30000113S42 L61 R63 K71S42-S52 VanDerWaalsContact O-CA 3.29Å; S42-S52 WeakPolarHBondContact O-CA 3.45Å; S52-L61 WeakPolarHBondContact CB-O 3.31Å; S52-L61 WeakPolarHBondContact OG-CB 3.35Å; S52-L61 PolarHBondContact OG-O 3.34Å; S52-R63 PolarHBondContact O-NH2 3.17Å; S52-R63 PolarHBondContact OG-NE 2.75Å; S52-R63 VanDerWaalsContact OG-NE 3.13Å; S52-K71 PolarHBondContact N-O 3.37Å; S52-K71 PolarHBondContact O-N 2.8Å; S52-K71 VanDerWaalsContact O-N 3.12Å
53C98.2Very high97.4Very high0 Ų023.2 Ų23.20%013%0.127CC..EExtended strand (participates in β ladder)trans-142.9164.7171.470.90000111.2Q11 H41 S42 L61 C67 H69 F70Q11-C53 PolarHBondContact O-SG 3.41Å; Q11-C53 VanDerWaalsContact O-SG 3.35Å; H41-C53 CarbonylContact C-O 3.54Å; H41-C53 VanDerWaalsContact CA-O 3.28Å; H41-C53 WeakPolarHBondContact CA-O 3.49Å; H41-C53 WeakPolarHBondContact CB-O 3.24Å; S42-C53 PolarHBondContact N-O 2.8Å; S42-C53 PolarHBondContact O-N 3Å; S42-C53 VanDerWaalsContact O-N 3.17Å; C53-L61 WeakPolarHBondContact O-CD2 3.38Å; C53-C67 CarbonylContact C-O 3.59Å; C53-C67 VanDerWaalsContact CA-O 3.3Å; C53-C67 WeakPolarHBondContact CA-O 3.49Å; C53-C67 WeakPolarHBondContact CB-O 3.32Å; C53-H69 WeakPolarHBondContact CB-O 3.41Å; C53-F70 HydrophobicContact CB-CD1 4.13Å; C53-F70 HydrophobicContact CB-CE1 4.37Å; C53-F70 HydrophobicContact CB-CG 4.24Å; C53-F70 WeakPolarHBondContact SG-CE1 3.41Å; C53-F70 WeakPolarHBondContact SG-CZ 3.45Å
54G98.3Very high97.1Very high0 Ų027.3 Ų27.30%016%0.156CC..EExtended strand (participates in β ladder)trans107.8-150.5178.400000114H9 G40 L61 C67H9-G54 CarbonylContact O-C 3.6Å; H9-G54 VanDerWaalsContact O-C 3.22Å; H9-G54 WeakPolarHBondContact O-CA 3.44Å; G40-G54 WeakPolarHBondContact O-CA 3.34Å; G54-L61 WeakPolarHBondContact O-CD1 3.42Å; G54-C67 PolarHBondContact N-O 2.64Å; G54-C67 PolarHBondContact O-N 3.42Å
55L97.8Very high96.7Very high39 Ų3932.4 Ų32.420%0.20418%0.183CC..  trans-64.4138.5177.8-174.863.2000111.6H9 G40 Q60 L61 D66H9-L55 HydrophobicContact CB-CB 3.81Å; G40-L55 VanDerWaalsContact O-CB 3.31Å; G40-L55 WeakPolarHBondContact O-CB 3.45Å; G40-L55 PolarHBondContact O-N 2.86Å; L55-Q60 WeakPolarHBondContact O-CG 3.46Å; L55-Q60 PolarHBondContact O-NE2 3.21Å; L55-L61 WeakPolarHBondContact O-CD2 3.36Å; L55-L61 WeakPolarHBondContact O-CG 3.28Å; L55-D66 WeakPolarHBondContact CA-OD2 3.33Å
56N97.6Very high96Very high11 Ų1136.6 Ų36.66%0.05921%0.205CC..  trans-136.321.6176.4-160.444.9000114.9V58 G59 Q60 L61 R63 N65 D66N56-V58 PolarHBondContact O-N 2.85Å; N56-G59 PolarHBondContact O-N 2.99Å; N56-G59 WeakPolarHBondContact OD1-CA 3.29Å; N56-Q60 VanDerWaalsContact CA-OE1 3.25Å; N56-Q60 PolarHBondContact OD1-N 2.9Å; N56-L61 HydrophobicContact CB-CB 4.25Å; N56-L61 HydrophobicContact CB-CD1 3.64Å; N56-L61 HydrophobicContact CB-CG 3.63Å; N56-L61 WeakPolarHBondContact OD1-CB 3.3Å; N56-L61 WeakPolarHBondContact OD1-CG 3.4Å; N56-L61 PolarHBondContact OD1-N 3.05Å; N56-R63 PolarHBondContact ND2-O 2.69Å; N56-N65 PolarHBondContact ND2-N 3.07Å; N56-D66 HydrophobicContact CB-CB 4.27Å; N56-D66 WeakPolarHBondContact CB-OD1 3.4Å; N56-D66 VanDerWaalsContact N-CG 3.27Å; N56-D66 PolarHBondContact N-OD1 3.48Å; N56-D66 PolarHBondContact N-OD2 2.85Å
57S96.1Very high95.7Very high90 Ų9036 Ų3663%0.62920%0.204SC*.THydrogen-bonded Turntrans-55.1-23.5-176.357.40000115.2
58V96.6Very high95.7Very high35 Ų3534 Ų3421%0.21220%0.196CC..THydrogen-bonded Turntrans-127.817.1179.6-66.20000112.2N56 Q60 D89 G104 S118N56-V58 PolarHBondContact O-N 2.85Å; V58-Q60 VanDerWaalsContact CG2-OE1 3.27Å; V58-Q60 VanDerWaalsContact N-OE1 3.1Å; V58-D89 HydrophobicContact CG2-CB 3.9Å; V58-G104 CarbonylContact O-C 3.54Å; V58-G104 VanDerWaalsContact O-CA 3.27Å; V58-G104 WeakPolarHBondContact O-CA 3.29Å; V58-S118 WeakPolarHBondContact O-CB 3.4Å
59G97.3Very high95.8Very high1 Ų133.9 Ų33.91%0.0119%0.192CC..SBendtrans85.113175.200000115.7N56 L61 G62N56-G59 PolarHBondContact O-N 2.99Å; N56-G59 WeakPolarHBondContact OD1-CA 3.29Å; G59-L61 PolarHBondContact O-N 2.99Å; G59-G62 PolarHBondContact O-N 3.34Å
60Q98.2Very high95.8Very high1 Ų132.3 Ų32.31%0.00518%0.183CC..THydrogen-bonded Turntrans-62.4-14.4-175.761.7-94.85900114.7H41 L55 N56 V58 D89 S91 W103H41-Q60 HydrophobicContact CB-CG 4.1Å; L55-Q60 WeakPolarHBondContact O-CG 3.46Å; L55-Q60 PolarHBondContact O-NE2 3.21Å; N56-Q60 VanDerWaalsContact CA-OE1 3.25Å; N56-Q60 PolarHBondContact OD1-N 2.9Å; V58-Q60 VanDerWaalsContact CG2-OE1 3.27Å; V58-Q60 VanDerWaalsContact N-OE1 3.1Å; Q60-D89 WeakPolarHBondContact CB-O 3.33Å; Q60-S91 PolarHBondContact O-OG 2.84Å; Q60-W103 VanDerWaalsContact O-CD1 3.27Å; Q60-W103 PolarHBondContact O-NE1 2.88Å
61L98.5Very high95.7Very high0 Ų037.7 Ų37.70%021%0.206CC..THydrogen-bonded Turntrans-83.6-10.5172.6-55.3-169.2000113.8H41 S52 C53 G54 L55 N56 G59 R63 I73H41-L61 HydrophobicContact CB-CD2 3.55Å; S52-L61 WeakPolarHBondContact CB-O 3.31Å; S52-L61 WeakPolarHBondContact OG-CB 3.35Å; S52-L61 PolarHBondContact OG-O 3.34Å; C53-L61 WeakPolarHBondContact O-CD2 3.38Å; G54-L61 WeakPolarHBondContact O-CD1 3.42Å; L55-L61 WeakPolarHBondContact O-CD2 3.36Å; L55-L61 WeakPolarHBondContact O-CG 3.28Å; N56-L61 HydrophobicContact CB-CB 4.25Å; N56-L61 HydrophobicContact CB-CD1 3.64Å; N56-L61 HydrophobicContact CB-CG 3.63Å; N56-L61 WeakPolarHBondContact OD1-CB 3.3Å; N56-L61 WeakPolarHBondContact OD1-CG 3.4Å; N56-L61 PolarHBondContact OD1-N 3.05Å; G59-L61 PolarHBondContact O-N 2.99Å; L61-R63 HydrophobicContact CB-CG 3.94Å; L61-R63 VanDerWaalsContact CD1-NH2 3.34Å; L61-R63 PolarHBondContact O-N 2.88Å; L61-I73 VanDerWaalsContact O-CD1 3.28Å; L61-I73 WeakPolarHBondContact O-CD1 3.15Å; L61-I73 WeakPolarHBondContact O-CG1 3.19Å
62G98.1Very high95.6Very high1 Ų141 Ų411%0.0122%0.224CC..SBendtrans7119.1-17900000113.7G59 I73 I120G59-G62 PolarHBondContact O-N 3.34Å; G62-I73 WeakPolarHBondContact O-CG2 3.45Å; G62-I120 CarbonylContact C-O 3.6Å; G62-I120 VanDerWaalsContact CA-O 3.31Å; G62-I120 WeakPolarHBondContact CA-O 3.37Å
63R96.3Very high95.6Very high23 Ų2341.1 Ų41.19%0.08722%0.224CC..SBendtrans-147.2175.1179.558.6-174.2177.874.86.8110.4S52 N56 L61 N65 P74 I120S52-R63 PolarHBondContact O-NH2 3.17Å; S52-R63 PolarHBondContact OG-NE 2.75Å; S52-R63 VanDerWaalsContact OG-NE 3.13Å; N56-R63 PolarHBondContact ND2-O 2.69Å; L61-R63 HydrophobicContact CB-CG 3.94Å; L61-R63 VanDerWaalsContact CD1-NH2 3.34Å; L61-R63 PolarHBondContact O-N 2.88Å; R63-N65 PolarHBondContact NH1-O 3.35Å; R63-N65 PolarHBondContact O-N 3.13Å; R63-P74 HydrophobicContact CB-CG 4.42Å; R63-I120 PolarHBondContact N-O 3.22Å; R63-I120 VanDerWaalsContact N-O 3.08Å
64S91.1Very high95.5Very high87 Ų8746.2 Ų46.261%0.60826%0.258SS*.SBendtrans-75.5-20.1-167.259.50000116.5
65N89.5Confident95.4Very high107 Ų10749.1 Ų49.157%0.57227%0.27SS*.SBendtrans-137.4148.1-169-61.6-46.3000112N56 R63N56-N65 PolarHBondContact ND2-N 3.07Å; R63-N65 PolarHBondContact NH1-O 3.35Å; R63-N65 PolarHBondContact O-N 3.13Å
66D83.9Confident95.2Very high87 Ų8751.9 Ų51.947%0.46529%0.293SS..  trans-56151.6163.4-60.948.6000110.1L55 N56L55-D66 WeakPolarHBondContact CA-OD2 3.33Å; N56-D66 HydrophobicContact CB-CB 4.27Å; N56-D66 WeakPolarHBondContact CB-OD1 3.4Å; N56-D66 VanDerWaalsContact N-CG 3.27Å; N56-D66 PolarHBondContact N-OD1 3.48Å; N56-D66 PolarHBondContact N-OD2 2.85Å
67C90.3Very high95.1Very high16 Ų1651.6 Ų51.611%0.10829%0.291CS..EExtended strand (participates in β ladder)trans-156.8133.9168.7-159.70000110.4C53 G54 H69 K71C53-C67 CarbonylContact C-O 3.59Å; C53-C67 VanDerWaalsContact CA-O 3.3Å; C53-C67 WeakPolarHBondContact CA-O 3.49Å; C53-C67 WeakPolarHBondContact CB-O 3.32Å; G54-C67 PolarHBondContact N-O 2.64Å; G54-C67 PolarHBondContact O-N 3.42Å; C67-H69 PolarHBondContact O-N 2.85Å; C67-K71 HydrophobicContact CB-CD 4.3Å; C67-K71 WeakPolarHBondContact SG-CE 3.39Å
68N94.8Very high94.9Very high58 Ų5850.2 Ų50.231%0.3129%0.285SS..EExtended strand (participates in β ladder)trans-82.916.6171.861.82.6000113.5G13 T14 G15G13-N68 CarbonylContact C-O 3.33Å; G13-N68 WeakPolarHBondContact CA-O 3.11Å; T14-N68 PolarHBondContact N-O 2.96Å; G15-N68 WeakPolarHBondContact CA-O 3.41Å; G15-N68 PolarHBondContact N-O 2.81Å; G15-N68 PolarHBondContact O-ND2 3.14Å
69H96.6Very high94.8Very high89 Ų8951.9 Ų51.941%0.41230%0.297SS..EExtended strand (participates in β ladder)trans-131146.5170.7-67.783.5000108.8G15 C53 C67 K71G15-H69 WeakPolarHBondContact CA-CE1 3.47Å; C53-H69 WeakPolarHBondContact CB-O 3.41Å; C67-H69 PolarHBondContact O-N 2.85Å; H69-K71 PolarHBondContact O-N 3.49Å
70F97.2Very high94.8Very high20 Ų2053.9 Ų53.99%0.08831%0.309CS..EExtended strand (participates in β ladder)trans-64.2120.5172-75.6-79.7000110.1I26 F28 I44 F51 C53 M407I26-F70 HydrophobicContact CD1-CD2 3.53Å; I26-F70 HydrophobicContact CD1-CE2 3.57Å; F28-F70 HydrophobicContact CD2-CB 3.77Å; F28-F70 HydrophobicContact CD2-CG 4.5Å; F28-F70 HydrophobicContact CE2-CB 3.75Å; I44-F70 HydrophobicContact CB-CE1 4.41Å; I44-F70 HydrophobicContact CD1-CB 4.09Å; I44-F70 HydrophobicContact CD1-CD1 3.55Å; I44-F70 HydrophobicContact CD1-CD2 4.04Å; I44-F70 HydrophobicContact CD1-CE1 3.9Å; I44-F70 HydrophobicContact CD1-CE2 4.36Å; I44-F70 HydrophobicContact CD1-CG 3.61Å; I44-F70 HydrophobicContact CD1-CZ 4.28Å; I44-F70 HydrophobicContact CG1-CD1 3.65Å; I44-F70 HydrophobicContact CG1-CE1 3.88Å; I44-F70 HydrophobicContact CG1-CG 4.22Å; I44-F70 HydrophobicContact CG2-CD1 4.5Å; I44-F70 HydrophobicContact CG2-CE1 3.85Å; I44-F70 HydrophobicContact CG2-CZ 4.09Å; F51-F70 HydrophobicContact CB-CB 4.2Å; F51-F70 HydrophobicContact CB-CD1 4.34Å; C53-F70 HydrophobicContact CB-CD1 4.13Å; C53-F70 HydrophobicContact CB-CE1 4.37Å; C53-F70 HydrophobicContact CB-CG 4.24Å; C53-F70 WeakPolarHBondContact SG-CE1 3.41Å; C53-F70 WeakPolarHBondContact SG-CZ 3.45Å; F70-M407 HydrophobicContact CZ-SD 4.02Å
71K96.4Very high94.8Very high112 Ų11254.1 Ų54.149%0.48731%0.31SS..EExtended strand (participates in β ladder)trans-127.3144.2176.4-70.9-173.9175.4175.70110.1F51 S52 C67 H69 I73F51-K71 CarbonylContact C-O 3.47Å; F51-K71 VanDerWaalsContact CA-O 3.24Å; F51-K71 WeakPolarHBondContact CA-O 3.31Å; S52-K71 PolarHBondContact N-O 3.37Å; S52-K71 PolarHBondContact O-N 2.8Å; S52-K71 VanDerWaalsContact O-N 3.12Å; C67-K71 HydrophobicContact CB-CD 4.3Å; C67-K71 WeakPolarHBondContact SG-CE 3.39Å; H69-K71 PolarHBondContact O-N 3.49Å; K71-I73 PolarHBondContact O-N 2.83Å
72I96.7Very high94.8Very high85 Ų8558.7 Ų58.744%0.43633%0.331SS..EExtended strand (participates in β ladder)trans-56.2136.1176.6-172.4165.4000110.9N49 F51N49-I72 HydrophobicContact CB-CD1 3.93Å; N49-I72 HydrophobicContact CB-CG1 4.21Å; N49-I72 WeakPolarHBondContact OD1-CD1 3.32Å; F51-I72 HydrophobicContact CD1-CB 4.06Å; F51-I72 HydrophobicContact CE1-CB 4.05Å
73I97.6Very high94.8Very high1 Ų161.7 Ų61.71%0.00534%0.344CS..  trans-75.3123.4167.6-62.6-174.4000107.1L43 I50 L61 G62 K71 F75 F77 W103 P122L43-I73 HydrophobicContact CD2-CD1 4.23Å; I50-I73 HydrophobicContact CB-CD1 3.98Å; I50-I73 HydrophobicContact CB-CG1 4.43Å; I50-I73 HydrophobicContact CG2-CD1 3.62Å; I50-I73 HydrophobicContact CG2-CG1 4.37Å; I50-I73 WeakPolarHBondContact O-CB 3.45Å; I50-I73 WeakPolarHBondContact O-CG1 3.09Å; I50-I73 PolarHBondContact O-N 3.47Å; L61-I73 VanDerWaalsContact O-CD1 3.28Å; L61-I73 WeakPolarHBondContact O-CD1 3.15Å; L61-I73 WeakPolarHBondContact O-CG1 3.19Å; G62-I73 WeakPolarHBondContact O-CG2 3.45Å; K71-I73 PolarHBondContact O-N 2.83Å; I73-F75 HydrophobicContact CG2-CB 3.9Å; I73-F75 PolarHBondContact O-N 3.21Å; I73-F77 HydrophobicContact CB-CE2 4.11Å; I73-F77 HydrophobicContact CG2-CE2 3.92Å; I73-F77 HydrophobicContact CG2-CZ 4.26Å; I73-W103 HydrophobicContact CD1-CH2 4.45Å; I73-W103 HydrophobicContact CD1-CZ2 3.69Å; I73-P122 HydrophobicContact CG2-CG 3.98Å
74P96.2Very high94.9Very high108 Ų10861.4 Ų61.470%0.70135%0.345SS*.SBendtrans-76.762.1-177.733.7-35.9000111.1R63R63-P74 HydrophobicContact CB-CG 4.42Å
75F95.7Very high95.3Very high61 Ų6157.9 Ų57.927%0.26832%0.321SS..SBendtrans-142.8138.2-179.1-172.7-88.8000109.8I73 F77 F101 P122I73-F75 HydrophobicContact CG2-CB 3.9Å; I73-F75 PolarHBondContact O-N 3.21Å; F75-F77 HydrophobicContact CB-CD2 4.42Å; F75-F77 HydrophobicContact CB-CE2 3.89Å; F75-F77 HydrophobicContact CB-CZ 4.16Å; F75-F77 AromaticContact CD1-CD1 3.67Å; F75-F77 HydrophobicContact CD1-CD1 3.67Å; F75-F77 AromaticContact CD1-CD2 3.95Å; F75-F77 HydrophobicContact CD1-CD2 3.95Å; F75-F77 AromaticContact CD1-CE1 3.56Å; F75-F77 HydrophobicContact CD1-CE1 3.56Å; F75-F77 AromaticContact CD1-CE2 3.84Å; F75-F77 HydrophobicContact CD1-CE2 3.84Å; F75-F77 AromaticContact CD1-CG 3.89Å; F75-F77 HydrophobicContact CD1-CG 3.89Å; F75-F77 AromaticContact CD1-CZ 3.66Å; F75-F77 HydrophobicContact CD1-CZ 3.66Å; F75-F77 AromaticContact CE1-CD1 3.96Å; F75-F77 HydrophobicContact CE1-CD1 3.96Å; F75-F77 AromaticContact CE1-CE1 3.98Å; F75-F77 HydrophobicContact CE1-CE1 3.98Å; F75-F77 HydrophobicContact CE1-CG 4.47Å; F75-F77 HydrophobicContact CE1-CZ 4.5Å; F75-F77 HydrophobicContact CG-CE1 4.47Å; F75-F77 HydrophobicContact CG-CE2 4.3Å; F75-F77 HydrophobicContact CG-CZ 4.2Å; F75-F77 WeakPolarHBondContact O-CD2 3.3Å; F75-F77 PolarHBondContact O-N 2.91Å; F75-F101 AromaticContact CE1-CD1 3.93Å; F75-F101 HydrophobicContact CE1-CD1 3.93Å; F75-F101 AromaticContact CE1-CE1 3.83Å; F75-F101 HydrophobicContact CE1-CE1 3.83Å; F75-F101 HydrophobicContact CE1-CG 4.49Å; F75-F101 HydrophobicContact CE1-CZ 4.29Å; F75-F101 AromaticContact CZ-CD1 3.74Å; F75-F101 HydrophobicContact CZ-CD1 3.74Å; F75-F101 AromaticContact CZ-CE1 3.47Å; F75-F101 HydrophobicContact CZ-CE1 3.47Å; F75-F101 VanDerWaalsContact CZ-CE1 3.47Å; F75-F101 HydrophobicContact CZ-CZ 4.24Å; F75-P122 HydrophobicContact CB-CG 3.8Å; F75-P122 HydrophobicContact CD1-CB 3.98Å; F75-P122 HydrophobicContact CD1-CG 4.09Å; F75-P122 HydrophobicContact CD2-CB 3.84Å; F75-P122 HydrophobicContact CD2-CG 3.93Å; F75-P122 HydrophobicContact CE1-CB 4.14Å; F75-P122 HydrophobicContact CE2-CB 4Å; F75-P122 HydrophobicContact CG-CB 3.83Å; F75-P122 HydrophobicContact CG-CG 3.66Å; F75-P122 HydrophobicContact CZ-CB 4.16Å
76S95.3Very high95.7Very high97 Ų9753 Ų5368%0.67830%0.295SS*.  trans-83.598.7-179.5-178.80000111.1A78S76-A78 VanDerWaalsContact C-N 3.35Å; S76-A78 PolarHBondContact O-N 3.12Å
77F93.9Very high96.4Very high4 Ų448.9 Ų48.92%0.01827%0.273CS..  trans-87.866.3176-66.2-76.1000112.3I50 I73 F75 V81 A93 L95 F101 W103 P122I50-F77 HydrophobicContact CB-CD2 4.22Å; I50-F77 HydrophobicContact CB-CE2 3.91Å; I50-F77 HydrophobicContact CD1-CD1 4.02Å; I50-F77 HydrophobicContact CD1-CD2 3.97Å; I50-F77 HydrophobicContact CD1-CE1 3.82Å; I50-F77 HydrophobicContact CD1-CE2 3.76Å; I50-F77 HydrophobicContact CD1-CG 4.08Å; I50-F77 HydrophobicContact CD1-CZ 3.67Å; I50-F77 HydrophobicContact CG1-CD2 3.84Å; I50-F77 HydrophobicContact CG1-CE2 3.86Å; I50-F77 HydrophobicContact CG1-CG 4.25Å; I50-F77 HydrophobicContact CG1-CZ 4.3Å; I73-F77 HydrophobicContact CB-CE2 4.11Å; I73-F77 HydrophobicContact CG2-CE2 3.92Å; I73-F77 HydrophobicContact CG2-CZ 4.26Å; F75-F77 HydrophobicContact CB-CD2 4.42Å; F75-F77 HydrophobicContact CB-CE2 3.89Å; F75-F77 HydrophobicContact CB-CZ 4.16Å; F75-F77 AromaticContact CD1-CD1 3.67Å; F75-F77 HydrophobicContact CD1-CD1 3.67Å; F75-F77 AromaticContact CD1-CD2 3.95Å; F75-F77 HydrophobicContact CD1-CD2 3.95Å; F75-F77 AromaticContact CD1-CE1 3.56Å; F75-F77 HydrophobicContact CD1-CE1 3.56Å; F75-F77 AromaticContact CD1-CE2 3.84Å; F75-F77 HydrophobicContact CD1-CE2 3.84Å; F75-F77 AromaticContact CD1-CG 3.89Å; F75-F77 HydrophobicContact CD1-CG 3.89Å; F75-F77 AromaticContact CD1-CZ 3.66Å; F75-F77 HydrophobicContact CD1-CZ 3.66Å; F75-F77 AromaticContact CE1-CD1 3.96Å; F75-F77 HydrophobicContact CE1-CD1 3.96Å; F75-F77 AromaticContact CE1-CE1 3.98Å; F75-F77 HydrophobicContact CE1-CE1 3.98Å; F75-F77 HydrophobicContact CE1-CG 4.47Å; F75-F77 HydrophobicContact CE1-CZ 4.5Å; F75-F77 HydrophobicContact CG-CE1 4.47Å; F75-F77 HydrophobicContact CG-CE2 4.3Å; F75-F77 HydrophobicContact CG-CZ 4.2Å; F75-F77 WeakPolarHBondContact O-CD2 3.3Å; F75-F77 PolarHBondContact O-N 2.91Å; F77-V81 HydrophobicContact CB-CG2 3.57Å; F77-V81 HydrophobicContact CG-CG2 4.16Å; F77-A93 HydrophobicContact CE1-CB 4.46Å; F77-L95 HydrophobicContact CB-CD2 3.93Å; F77-L95 HydrophobicContact CD1-CD2 4.08Å; F77-L95 HydrophobicContact CG-CD2 4.48Å; F77-F101 HydrophobicContact CE1-CB 4.39Å; F77-W103 HydrophobicContact CE1-CH2 4.3Å; F77-W103 AromaticContact CE1-CZ3 3.99Å; F77-W103 HydrophobicContact CE1-CZ3 3.99Å; F77-W103 HydrophobicContact CZ-CH2 4.01Å; F77-W103 AromaticContact CZ-CZ3 3.99Å; F77-W103 HydrophobicContact CZ-CZ3 3.99Å; F77-P122 HydrophobicContact CE1-CB 4.08Å; F77-P122 HydrophobicContact CE1-CG 4.13Å; F77-P122 HydrophobicContact CE2-CG 4.41Å; F77-P122 HydrophobicContact CZ-CB 4Å; F77-P122 HydrophobicContact CZ-CG 3.53Å
78A93.5Very high96.8Very high61 Ų6152.8 Ų52.850%0.50429%0.285SS..  trans-98.8141.3-18000000112S76 L95S76-A78 VanDerWaalsContact C-N 3.35Å; S76-A78 PolarHBondContact O-N 3.12Å; A78-L95 WeakPolarHBondContact O-CD1 3.35Å
79P94.1Very high96.9Very high70 Ų7050.8 Ų50.846%0.45528%0.275SS..SBendcis-79.9-43.613.7-2.216.2000113.5S96 D97P79-S96 WeakPolarHBondContact CG-OG 3.42Å; P79-D97 HydrophobicContact CG-CB 4.32Å
80T97.1Very high97Very high44 Ų4446.6 Ų46.627%0.2726%0.255SS..  trans-155.8139.3-176.7-48.60000109E47 H82 L95 S96E47-T80 HydrophobicContact CB-CG2 3.56Å; E47-T80 CarbonylContact O-C 3.54Å; E47-T80 WeakPolarHBondContact O-CA 3.2Å; E47-T80 WeakPolarHBondContact O-CG2 3.17Å; T80-H82 PolarHBondContact O-N 3.36Å; T80-L95 CarbonylContact O-C 3.58Å; T80-L95 WeakPolarHBondContact O-CA 3.32Å; T80-S96 PolarHBondContact O-N 2.8Å
81V98.3Very high97.1Very high5 Ų545.6 Ų45.63%0.0325%0.251CS..EExtended strand (participates in β ladder)trans-69.7115.3172.1-174.70000109.3L34 S45 E47 I50 F77 V84 L95L34-V81 HydrophobicContact CD1-CG1 3.81Å; S45-V81 WeakPolarHBondContact OG-CB 3.46Å; E47-V81 PolarHBondContact O-N 2.93Å; I50-V81 HydrophobicContact CD1-CG1 4Å; I50-V81 HydrophobicContact CD1-CG2 4.09Å; I50-V81 HydrophobicContact CG1-CG1 4.09Å; I50-V81 HydrophobicContact CG1-CG2 3.73Å; F77-V81 HydrophobicContact CB-CG2 3.57Å; F77-V81 HydrophobicContact CG-CG2 4.16Å; V81-V84 HydrophobicContact CG1-CG1 3.73Å; V81-L95 HydrophobicContact CG2-CD2 4.19Å
82H97.9Very high97.2Very high96 Ų9640.3 Ų40.344%0.44423%0.228SC..EExtended strand (participates in β ladder)trans-94.5-38.9-179.9-174.463.1000112.9T80 V94T80-H82 PolarHBondContact O-N 3.36Å; H82-V94 WeakPolarHBondContact CA-O 3.42Å; H82-V94 WeakPolarHBondContact CB-O 3.5Å; H82-V94 PolarHBondContact N-O 3.3Å
83K98.2Very high97.3Very high64 Ų6436.2 Ų36.228%0.27821%0.207SC..EExtended strand (participates in β ladder)trans-143.1151.2174.1-69.7-161.7177-160.40111.5A93 V94 S132 I133 D197K83-A93 CarbonylContact O-C 3.34Å; K83-A93 VanDerWaalsContact O-CA 3.25Å; K83-A93 WeakPolarHBondContact O-CA 3.38Å; K83-V94 HydrophobicContact CB-CB 4.26Å; K83-V94 PolarHBondContact N-O 3.18Å; K83-V94 PolarHBondContact O-N 3.32Å; K83-S132 PolarHBondContact NZ-OG 3.25Å; K83-I133 HydrophobicContact CB-CG2 4.38Å; K83-D197 IonicContact NZ-OD1 3.52Å
84V98.6Very high97.4Very high17 Ų1736.2 Ų36.210%0.10321%0.207CC..EExtended strand (participates in β ladder)trans-129144.3165.1-62.90000108.9L34 L43 I50 V81 V92 A93L34-V84 HydrophobicContact CB-CG2 3.85Å; L34-V84 HydrophobicContact CD1-CG1 4.47Å; L43-V84 HydrophobicContact CB-CG2 4.49Å; L43-V84 HydrophobicContact CD1-CB 4.43Å; I50-V84 HydrophobicContact CD1-CG1 3.74Å; I50-V84 HydrophobicContact CG1-CG1 4.26Å; V81-V84 HydrophobicContact CG1-CG1 3.73Å; V84-V92 WeakPolarHBondContact CA-O 3.18Å; V84-A93 HydrophobicContact CG1-CB 4.3Å
85S98.8Very high97.5Very high14 Ų1431.2 Ų31.210%0.09817%0.174CC..EExtended strand (participates in β ladder)trans-148132.4174.9-174.30000109.9S36 V92 A135S36-S85 WeakPolarHBondContact OG-CA 3.43Å; S85-V92 PolarHBondContact N-O 3.02Å; S85-V92 WeakPolarHBondContact O-CG2 3.32Å; S85-V92 PolarHBondContact O-N 2.77Å; S85-A135 PolarHBondContact OG-N 2.8Å
86C98.8Very high97.6Very high5 Ų531.4 Ų31.43%0.03418%0.183CC..EExtended strand (participates in β ladder)trans-104136.3177.4-63.30000110.5S36 G37 G38 L43S36-C86 PolarHBondContact OG-N 3.02Å; G37-C86 WeakPolarHBondContact O-CB 3.44Å; G38-C86 VanDerWaalsContact N-CB 3.34Å; L43-C86 VanDerWaalsContact CD1-SG 3.58Å; L43-C86 VanDerWaalsContact CG-SG 3.51Å
87G98.7Very high97.7Very high0 Ų030.4 Ų30.40%017%0.17CC..  trans-93.3-159.116200000111.3G38 D89 F90 G136G38-G87 WeakPolarHBondContact CA-O 3.15Å; G87-D89 PolarHBondContact O-N 3.02Å; G87-F90 PolarHBondContact N-O 2.87Å; G87-G136 WeakPolarHBondContact CA-O 3.18Å
88W98.3Very high97.9Very high98 Ų9830.4 Ų30.437%0.37117%0.171SC..SBendtrans-59.8-48.3179.5-177.2-94.4000112.9G39 L137 W263 Y403G39-W88 WeakPolarHBondContact CA-O 3.37Å; G39-W88 PolarHBondContact N-O 2.77Å; W88-L137 HydrophobicContact CB-CD1 3.87Å; W88-L137 HydrophobicContact CB-CG 4.31Å; W88-L137 VanDerWaalsContact CB-O 3.31Å; W88-L137 WeakPolarHBondContact CB-O 3.36Å; W88-L137 HydrophobicContact CD2-CD1 4.11Å; W88-L137 HydrophobicContact CE3-CD1 3.67Å; W88-L137 HydrophobicContact CG-CD1 4.18Å; W88-L137 PolarHBondContact N-O 3.09Å; W88-W263 AromaticContact CE3-CZ2 3.92Å; W88-W263 HydrophobicContact CE3-CZ2 3.92Å; W88-W263 AromaticContact CZ3-CH2 3.93Å; W88-W263 HydrophobicContact CZ3-CH2 3.93Å; W88-W263 AromaticContact CZ3-CZ2 3.62Å; W88-W263 HydrophobicContact CZ3-CZ2 3.62Å; W88-Y403 HydrophobicContact CB-CE2 3.97Å; W88-Y403 HydrophobicContact CD2-CD2 4.29Å; W88-Y403 HydrophobicContact CD2-CE2 4.23Å; W88-Y403 AromaticContact CE3-CD2 3.25Å; W88-Y403 HydrophobicContact CE3-CD2 3.25Å; W88-Y403 AromaticContact CE3-CE2 3.45Å; W88-Y403 HydrophobicContact CE3-CE2 3.45Å; W88-Y403 VanDerWaalsContact CE3-CE2 3.45Å; W88-Y403 HydrophobicContact CG-CE2 4.49Å; W88-Y403 AromaticContact CZ3-CD2 3.59Å; W88-Y403 HydrophobicContact CZ3-CD2 3.59Å; W88-Y403 HydrophobicContact CZ3-CE2 4.26Å; W88-Y403 PolarHBondContact N-OH 2.92Å
89D98Very high98.1Very high16 Ų1628 Ų289%0.08615%0.151CC..SBendtrans-144.327.3-17364.8-9.4000112.4V58 Q60 G87 S105 Q110 R138V58-D89 HydrophobicContact CG2-CB 3.9Å; Q60-D89 WeakPolarHBondContact CB-O 3.33Å; G87-D89 PolarHBondContact O-N 3.02Å; D89-S105 WeakPolarHBondContact O-CB 3.12Å; D89-S105 PolarHBondContact O-N 2.89Å; D89-S105 VanDerWaalsContact OD1-CB 3.26Å; D89-S105 WeakPolarHBondContact OD1-CB 3.41Å; D89-S105 WeakPolarHBondContact OD2-CB 3.21Å; D89-S105 PolarHBondContact OD2-OG 2.77Å; D89-Q110 PolarHBondContact OD1-NE2 2.74Å; D89-R138 IonicContact OD1-CZ 2.63Å; D89-R138 IonicContact OD1-NH1 2.93Å; D89-R138 PolarHBondContact OD1-NH1 3.01Å; D89-R138 IonicContact OD2-CZ 2.75Å; D89-R138 IonicContact OD2-NH1 3.59Å; D89-R138 PolarHBondContact OD2-NH1 2.78Å; D89-R138 IonicContact OD2-NH2 3.37Å
90F98.7Very high98.3Very high0 Ų024.8 Ų24.80%013%0.129CC..EExtended strand (participates in β ladder)trans-149.4169176.678.7-80.2000109.9G87 V92 W103 Q110 L111 A135 V140G87-F90 PolarHBondContact N-O 2.87Å; F90-V92 HydrophobicContact CD2-CG1 4.18Å; F90-V92 HydrophobicContact CE2-CG1 3.95Å; F90-W103 CarbonylContact C-O 3.5Å; F90-W103 WeakPolarHBondContact CA-O 3.28Å; F90-W103 WeakPolarHBondContact CB-O 3.42Å; F90-Q110 HydrophobicContact CB-CG 4.01Å; F90-Q110 HydrophobicContact CD1-CB 4.05Å; F90-Q110 HydrophobicContact CD1-CG 3.69Å; F90-Q110 HydrophobicContact CD2-CB 4.09Å; F90-Q110 HydrophobicContact CD2-CG 3.94Å; F90-Q110 HydrophobicContact CE1-CB 3.9Å; F90-Q110 HydrophobicContact CE1-CG 4.08Å; F90-Q110 HydrophobicContact CE2-CB 3.96Å; F90-Q110 HydrophobicContact CE2-CG 4.32Å; F90-Q110 HydrophobicContact CG-CB 4.14Å; F90-Q110 HydrophobicContact CG-CG 3.61Å; F90-Q110 HydrophobicContact CZ-CB 3.87Å; F90-Q110 HydrophobicContact CZ-CG 4.39Å; F90-L111 HydrophobicContact CB-CD2 4.34Å; F90-A135 HydrophobicContact CE1-CB 4.43Å; F90-A135 HydrophobicContact CE2-CB 3.82Å; F90-A135 HydrophobicContact CZ-CB 3.59Å; F90-V140 HydrophobicContact CE2-CG2 3.43Å; F90-V140 VanDerWaalsContact CE2-CG2 3.43Å; F90-V140 HydrophobicContact CZ-CG2 3.7Å
91S98.8Very high98.4Very high0 Ų023.8 Ų23.80%012%0.121CC..EExtended strand (participates in β ladder)trans-141.3146.1-172.6-66.40000109.9H41 Q60 S102 W103H41-S91 PolarHBondContact NE2-OG 2.86Å; Q60-S91 PolarHBondContact O-OG 2.84Å; S91-S102 CarbonylContact O-C 3.25Å; S91-S102 VanDerWaalsContact O-CA 3.24Å; S91-S102 WeakPolarHBondContact O-CA 3.43Å; S91-W103 VanDerWaalsContact CB-NE1 3.28Å; S91-W103 PolarHBondContact N-O 2.8Å; S91-W103 PolarHBondContact O-N 2.92Å
92V98.8Very high98.4Very high0 Ų023.5 Ų23.50%012%0.12CC..EExtended strand (participates in β ladder)trans-132.6147.9172.6-60.70000110.8V84 S85 F90 F101 I133 A135 V140V84-V92 WeakPolarHBondContact CA-O 3.18Å; S85-V92 PolarHBondContact N-O 3.02Å; S85-V92 WeakPolarHBondContact O-CG2 3.32Å; S85-V92 PolarHBondContact O-N 2.77Å; F90-V92 HydrophobicContact CD2-CG1 4.18Å; F90-V92 HydrophobicContact CE2-CG1 3.95Å; V92-F101 CarbonylContact C-O 2.92Å; V92-F101 VanDerWaalsContact CA-O 3.25Å; V92-F101 WeakPolarHBondContact CA-O 3.35Å; V92-I133 HydrophobicContact CB-CD1 4.05Å; V92-I133 HydrophobicContact CG2-CD1 3.87Å; V92-I133 HydrophobicContact CG2-CG1 4.02Å; V92-I133 HydrophobicContact CG2-CG2 4.17Å; V92-A135 HydrophobicContact CG2-CB 4.29Å; V92-V140 HydrophobicContact CG1-CG2 4.17Å
93A98.7Very high98.4Very high0 Ų019 Ų190%010%0.099CC..EExtended strand (participates in β ladder)trans-134.9145.9173.300000110.6I50 F77 K83 V84 V100 F101 W103I50-A93 HydrophobicContact CD1-CB 3.72Å; F77-A93 HydrophobicContact CE1-CB 4.46Å; K83-A93 CarbonylContact O-C 3.34Å; K83-A93 VanDerWaalsContact O-CA 3.25Å; K83-A93 WeakPolarHBondContact O-CA 3.38Å; V84-A93 HydrophobicContact CG1-CB 4.3Å; A93-V100 WeakPolarHBondContact O-CA 3.28Å; A93-F101 PolarHBondContact N-O 3.23Å; A93-F101 PolarHBondContact O-N 2.72Å; A93-W103 HydrophobicContact CB-CH2 3.93Å; A93-W103 HydrophobicContact CB-CZ3 3.94Å
94V98.6Very high98.5Very high0 Ų015.9 Ų15.90%09%0.085CC..EExtended strand (participates in β ladder)trans-116.9132.9171.6174.40000107.4H82 K83 S99 V100 V130 I133H82-V94 WeakPolarHBondContact CA-O 3.42Å; H82-V94 WeakPolarHBondContact CB-O 3.5Å; H82-V94 PolarHBondContact N-O 3.3Å; K83-V94 HydrophobicContact CB-CB 4.26Å; K83-V94 PolarHBondContact N-O 3.18Å; K83-V94 PolarHBondContact O-N 3.32Å; V94-S99 WeakPolarHBondContact CA-O 3.27Å; V94-V100 HydrophobicContact CG2-CG2 4.18Å; V94-V130 HydrophobicContact CG1-CB 4.4Å; V94-V130 HydrophobicContact CG1-CG1 4.44Å; V94-V130 VanDerWaalsContact CG1-O 3.24Å; V94-V130 WeakPolarHBondContact CG1-O 3.24Å; V94-V130 HydrophobicContact CG2-CB 4.26Å; V94-V130 HydrophobicContact CG2-CG1 3.79Å; V94-I133 HydrophobicContact CG2-CB 3.83Å; V94-I133 HydrophobicContact CG2-CD1 4.14Å; V94-I133 HydrophobicContact CG2-CG2 3.45Å; V94-I133 VanDerWaalsContact CG2-CG2 3.45Å
95L98.5Very high98.4Very high4 Ų415.2 Ų15.22%0.0218%0.081CC..EExtended strand (participates in β ladder)trans-92.4167.5174.8-54.2-170.3000111.1F77 A78 T80 V81 D97 G98 S99 F101F77-L95 HydrophobicContact CB-CD2 3.93Å; F77-L95 HydrophobicContact CD1-CD2 4.08Å; F77-L95 HydrophobicContact CG-CD2 4.48Å; A78-L95 WeakPolarHBondContact O-CD1 3.35Å; T80-L95 CarbonylContact O-C 3.58Å; T80-L95 WeakPolarHBondContact O-CA 3.32Å; V81-L95 HydrophobicContact CG2-CD2 4.19Å; L95-D97 WeakPolarHBondContact CB-OD1 3.41Å; L95-D97 PolarHBondContact O-N 3Å; L95-G98 WeakPolarHBondContact O-CA 3.3Å; L95-G98 PolarHBondContact O-N 3.34Å; L95-S99 PolarHBondContact N-O 3.26Å; L95-F101 HydrophobicContact CD1-CD2 4.09Å; L95-F101 HydrophobicContact CD1-CE2 3.55Å; L95-F101 HydrophobicContact CD1-CZ 4.47Å; L95-F101 HydrophobicContact CG-CD2 4.17Å; L95-F101 HydrophobicContact CG-CE2 4.06Å
96S97.4Very high98.4Very high64 Ų6414.6 Ų14.645%0.4488%0.077SC..THydrogen-bonded Turntrans-65.4-21.7-176.359.30000114.3P79 T80P79-S96 WeakPolarHBondContact CG-OG 3.42Å; T80-S96 PolarHBondContact O-N 2.8Å
97D97.6Very high98.3Very high77 Ų7720.1 Ų20.141%0.41210%0.102SC..THydrogen-bonded Turntrans-81.6-2.9170.972.1-19.4000112.9P79 L95 S99P79-D97 HydrophobicContact CG-CB 4.32Å; L95-D97 WeakPolarHBondContact CB-OD1 3.41Å; L95-D97 PolarHBondContact O-N 3Å; D97-S99 VanDerWaalsContact CG-OG 3.3Å; D97-S99 WeakPolarHBondContact OD1-CB 3.39Å; D97-S99 PolarHBondContact OD1-N 2.79Å; D97-S99 PolarHBondContact OD1-OG 3.39Å; D97-S99 PolarHBondContact OD2-OG 3.4Å
98G98.3Very high98.2Very high3 Ų322.5 Ų22.53%0.03111%0.111CC..  trans83.64.5-176.400000115L95 P129 V130L95-G98 WeakPolarHBondContact O-CA 3.3Å; L95-G98 PolarHBondContact O-N 3.34Å; G98-P129 WeakPolarHBondContact O-CA 3.43Å; G98-V130 VanDerWaalsContact CA-O 3.23Å; G98-V130 WeakPolarHBondContact CA-O 3.48Å; G98-V130 PolarHBondContact O-N 3.48Å
99S98.3Very high98.1Very high12 Ų1217.8 Ų17.88%0.0849%0.094CC..  trans-64.4139.1173.9-68.90000111.2V94 L95 D97 R124V94-S99 WeakPolarHBondContact CA-O 3.27Å; L95-S99 PolarHBondContact N-O 3.26Å; D97-S99 VanDerWaalsContact CG-OG 3.3Å; D97-S99 WeakPolarHBondContact OD1-CB 3.39Å; D97-S99 PolarHBondContact OD1-N 2.79Å; D97-S99 PolarHBondContact OD1-OG 3.39Å; D97-S99 PolarHBondContact OD2-OG 3.4Å; S99-R124 PolarHBondContact OG-NH2 3.48Å
100V98.6Very high98.1Very high1 Ų117 Ų171%0.0069%0.09CC..EExtended strand (participates in β ladder)trans-112.6134.7-177.2-170.50000111.3A93 V94 R124 I125 I127 V130 I133A93-V100 WeakPolarHBondContact O-CA 3.28Å; V94-V100 HydrophobicContact CG2-CG2 4.18Å; V100-R124 WeakPolarHBondContact O-CA 3.08Å; V100-I125 HydrophobicContact CB-CB 4.26Å; V100-I125 HydrophobicContact CG1-CB 4.4Å; V100-I125 HydrophobicContact CG1-CD1 3.87Å; V100-I125 HydrophobicContact CG1-CG1 4.29Å; V100-I125 PolarHBondContact O-N 2.8Å; V100-I127 HydrophobicContact CB-CG2 4.2Å; V100-I127 HydrophobicContact CG2-CG2 3.77Å; V100-V130 HydrophobicContact CG2-CB 3.6Å; V100-V130 HydrophobicContact CG2-CG1 4.31Å; V100-V130 HydrophobicContact CG2-CG2 3.47Å; V100-V130 VanDerWaalsContact CG2-CG2 3.47Å; V100-I133 HydrophobicContact CG1-CD1 3.64Å
101F98.5Very high98Very high23 Ų2317.2 Ų17.210%0.1019%0.09CC..EExtended strand (participates in β ladder)trans-124.5146.5173.9-66.4-95.7000110.7F75 F77 V92 A93 L95 W103 P122 V123 R124F75-F101 AromaticContact CE1-CD1 3.93Å; F75-F101 HydrophobicContact CE1-CD1 3.93Å; F75-F101 AromaticContact CE1-CE1 3.83Å; F75-F101 HydrophobicContact CE1-CE1 3.83Å; F75-F101 HydrophobicContact CE1-CG 4.49Å; F75-F101 HydrophobicContact CE1-CZ 4.29Å; F75-F101 AromaticContact CZ-CD1 3.74Å; F75-F101 HydrophobicContact CZ-CD1 3.74Å; F75-F101 AromaticContact CZ-CE1 3.47Å; F75-F101 HydrophobicContact CZ-CE1 3.47Å; F75-F101 VanDerWaalsContact CZ-CE1 3.47Å; F75-F101 HydrophobicContact CZ-CZ 4.24Å; F77-F101 HydrophobicContact CE1-CB 4.39Å; V92-F101 CarbonylContact C-O 2.92Å; V92-F101 VanDerWaalsContact CA-O 3.25Å; V92-F101 WeakPolarHBondContact CA-O 3.35Å; A93-F101 PolarHBondContact N-O 3.23Å; A93-F101 PolarHBondContact O-N 2.72Å; L95-F101 HydrophobicContact CD1-CD2 4.09Å; L95-F101 HydrophobicContact CD1-CE2 3.55Å; L95-F101 HydrophobicContact CD1-CZ 4.47Å; L95-F101 HydrophobicContact CG-CD2 4.17Å; L95-F101 HydrophobicContact CG-CE2 4.06Å; F101-W103 HydrophobicContact CB-CZ3 4.36Å; F101-P122 HydrophobicContact CB-CB 4.37Å; F101-P122 HydrophobicContact CD1-CB 4.41Å; F101-V123 CarbonylContact C-O 3.53Å; F101-V123 VanDerWaalsContact CA-O 3.26Å; F101-V123 WeakPolarHBondContact CA-O 3.19Å; F101-R124 HydrophobicContact CD1-CB 4.07Å; F101-R124 HydrophobicContact CE1-CB 3.7Å; F101-R124 HydrophobicContact CE1-CG 4.28Å; F101-R124 HydrophobicContact CZ-CB 4.22Å; F101-R124 HydrophobicContact CZ-CG 4.32Å
102S98.6Very high98Very high0 Ų017.4 Ų17.40%09%0.092CC..EExtended strand (participates in β ladder)trans-137.2154.2176.561.50000111.4S91 L111 V123S91-S102 CarbonylContact O-C 3.25Å; S91-S102 VanDerWaalsContact O-CA 3.24Å; S91-S102 WeakPolarHBondContact O-CA 3.43Å; S102-L111 WeakPolarHBondContact OG-CA 3.35Å; S102-L111 WeakPolarHBondContact OG-CB 3.19Å; S102-L111 PolarHBondContact OG-O 3.07Å; S102-V123 PolarHBondContact N-O 2.89Å; S102-V123 WeakPolarHBondContact O-CG2 3.35Å; S102-V123 PolarHBondContact O-N 3.05Å
103W98.5Very high97.6Very high0 Ų020.9 Ų20.90%011%0.108CC..EExtended strand (participates in β ladder)trans-159.1168.8173.758.792.4000111.2L43 I50 Q60 I73 F77 F90 S91 A93 F101 V121 P122L43-W103 HydrophobicContact CD1-CH2 4.29Å; L43-W103 HydrophobicContact CD1-CZ2 3.67Å; L43-W103 HydrophobicContact CD2-CZ2 4.23Å; I50-W103 HydrophobicContact CD1-CH2 3.88Å; Q60-W103 VanDerWaalsContact O-CD1 3.27Å; Q60-W103 PolarHBondContact O-NE1 2.88Å; I73-W103 HydrophobicContact CD1-CH2 4.45Å; I73-W103 HydrophobicContact CD1-CZ2 3.69Å; F77-W103 HydrophobicContact CE1-CH2 4.3Å; F77-W103 AromaticContact CE1-CZ3 3.99Å; F77-W103 HydrophobicContact CE1-CZ3 3.99Å; F77-W103 HydrophobicContact CZ-CH2 4.01Å; F77-W103 AromaticContact CZ-CZ3 3.99Å; F77-W103 HydrophobicContact CZ-CZ3 3.99Å; F90-W103 CarbonylContact C-O 3.5Å; F90-W103 WeakPolarHBondContact CA-O 3.28Å; F90-W103 WeakPolarHBondContact CB-O 3.42Å; S91-W103 VanDerWaalsContact CB-NE1 3.28Å; S91-W103 PolarHBondContact N-O 2.8Å; S91-W103 PolarHBondContact O-N 2.92Å; A93-W103 HydrophobicContact CB-CH2 3.93Å; A93-W103 HydrophobicContact CB-CZ3 3.94Å; F101-W103 HydrophobicContact CB-CZ3 4.36Å; W103-V121 WeakPolarHBondContact CB-O 3.17Å; W103-P122 HydrophobicContact CD2-CB 4.41Å; W103-P122 HydrophobicContact CD2-CG 4.1Å; W103-P122 HydrophobicContact CE3-CB 3.73Å; W103-P122 HydrophobicContact CE3-CG 3.82Å; W103-P122 HydrophobicContact CZ3-CB 4.23Å; W103-P122 HydrophobicContact CZ3-CG 4.28Å
104G98.4Very high97Very high0 Ų026.2 Ų26.20%013%0.133CC..EExtended strand (participates in β ladder)trans99.4-148.9-173.500000113.1V58 S118 S119V58-G104 CarbonylContact O-C 3.54Å; V58-G104 VanDerWaalsContact O-CA 3.27Å; V58-G104 WeakPolarHBondContact O-CA 3.29Å; G104-S118 CarbonylContact O-C 3.55Å; G104-S118 WeakPolarHBondContact O-CA 3.47Å; G104-S118 VanDerWaalsContact O-CB 3.24Å; G104-S118 WeakPolarHBondContact O-CB 3.31Å; G104-S119 PolarHBondContact N-O 3.5Å; G104-S119 PolarHBondContact O-N 2.99Å
105S98.1Very high96.6Very high2 Ų229 Ų291%0.01415%0.152CC..  trans-62.4150.4179.3-177.20000112.7D89 Q110 L111D89-S105 WeakPolarHBondContact O-CB 3.12Å; D89-S105 PolarHBondContact O-N 2.89Å; D89-S105 VanDerWaalsContact OD1-CB 3.26Å; D89-S105 WeakPolarHBondContact OD1-CB 3.41Å; D89-S105 WeakPolarHBondContact OD2-CB 3.21Å; D89-S105 PolarHBondContact OD2-OG 2.77Å; S105-Q110 WeakPolarHBondContact O-CG 3.37Å; S105-Q110 PolarHBondContact O-NE2 3.45Å; S105-Q110 PolarHBondContact OG-NE2 3.38Å; S105-L111 WeakPolarHBondContact O-CD2 3.45Å; S105-L111 WeakPolarHBondContact O-CG 3.28Å
106N97.6Very high96.2Very high2 Ų233.1 Ų33.11%0.01117%0.173CC..  trans-140.116.8175.6-158.419.3000113.4Y108 G109 Q110 L111 S115 I116 N117N106-Y108 PolarHBondContact O-N 2.88Å; N106-Y108 VanDerWaalsContact O-N 3.08Å; N106-G109 PolarHBondContact O-N 3.07Å; N106-G109 VanDerWaalsContact OD1-CA 3.23Å; N106-G109 WeakPolarHBondContact OD1-CA 3.41Å; N106-Q110 PolarHBondContact OD1-N 2.88Å; N106-L111 HydrophobicContact CB-CB 4.25Å; N106-L111 HydrophobicContact CB-CD1 3.65Å; N106-L111 HydrophobicContact CB-CG 3.61Å; N106-L111 VanDerWaalsContact CG-CG 3.49Å; N106-L111 WeakPolarHBondContact OD1-CB 3.42Å; N106-L111 PolarHBondContact OD1-N 2.9Å; N106-S115 PolarHBondContact ND2-O 2.78Å; N106-I116 CarbonylContact C-O 3.58Å; N106-N117 WeakPolarHBondContact CB-O 3.23Å; N106-N117 PolarHBondContact ND2-O 2.74Å
107E96.5Very high96.1Very high120 Ų12035.4 Ų35.456%0.56118%0.18SC*.THydrogen-bonded Turntrans-59.6-25-177.3-64.2-174.9158.200112.8
108Y96.7Very high96.1Very high50 Ų5034.9 Ų34.920%0.19618%0.182CC..THydrogen-bonded Turntrans-108.513178.7-57.1-94000112.8N106 Q110 R138 G153 S154 I178N106-Y108 PolarHBondContact O-N 2.88Å; N106-Y108 VanDerWaalsContact O-N 3.08Å; Y108-Q110 VanDerWaalsContact C-N 3.29Å; Y108-Q110 PolarHBondContact O-N 3.08Å; Y108-R138 HydrophobicContact CD2-CB 4.3Å; Y108-R138 HydrophobicContact CD2-CG 4.13Å; Y108-R138 HydrophobicContact CE2-CG 4.28Å; Y108-R138 HydrophobicContact CG-CB 4.08Å; Y108-R138 HydrophobicContact CG-CG 4.29Å; Y108-G153 CarbonylContact O-C 3.18Å; Y108-G153 WeakPolarHBondContact O-CA 3.38Å; Y108-S154 PolarHBondContact O-N 2.85Å; Y108-I178 WeakPolarHBondContact O-CG2 3.24Å
109G96.5Very high96.1Very high0 Ų035.6 Ų35.60%019%0.187CC..SBendtrans74.913.6-176.600000114.4N106 L111 G112N106-G109 PolarHBondContact O-N 3.07Å; N106-G109 VanDerWaalsContact OD1-CA 3.23Å; N106-G109 WeakPolarHBondContact OD1-CA 3.41Å; G109-L111 PolarHBondContact O-N 2.92Å; G109-L111 VanDerWaalsContact O-N 3.14Å; G109-G112 PolarHBondContact O-N 2.92Å
110Q97.6Very high96Very high0 Ų039.6 Ų39.60%021%0.206CC..THydrogen-bonded Turntrans-65.9-13.1-174.163.6-116.663.100114.7D89 F90 S105 N106 Y108 G112 W152D89-Q110 PolarHBondContact OD1-NE2 2.74Å; F90-Q110 HydrophobicContact CB-CG 4.01Å; F90-Q110 HydrophobicContact CD1-CB 4.05Å; F90-Q110 HydrophobicContact CD1-CG 3.69Å; F90-Q110 HydrophobicContact CD2-CB 4.09Å; F90-Q110 HydrophobicContact CD2-CG 3.94Å; F90-Q110 HydrophobicContact CE1-CB 3.9Å; F90-Q110 HydrophobicContact CE1-CG 4.08Å; F90-Q110 HydrophobicContact CE2-CB 3.96Å; F90-Q110 HydrophobicContact CE2-CG 4.32Å; F90-Q110 HydrophobicContact CG-CB 4.14Å; F90-Q110 HydrophobicContact CG-CG 3.61Å; F90-Q110 HydrophobicContact CZ-CB 3.87Å; F90-Q110 HydrophobicContact CZ-CG 4.39Å; S105-Q110 WeakPolarHBondContact O-CG 3.37Å; S105-Q110 PolarHBondContact O-NE2 3.45Å; S105-Q110 PolarHBondContact OG-NE2 3.38Å; N106-Q110 PolarHBondContact OD1-N 2.88Å; Y108-Q110 VanDerWaalsContact C-N 3.29Å; Y108-Q110 PolarHBondContact O-N 3.08Å; Q110-G112 VanDerWaalsContact C-N 3.32Å; Q110-W152 PolarHBondContact O-NE1 2.94Å
111L98Very high95.9Very high3 Ų343.2 Ų43.22%0.01623%0.228CC..THydrogen-bonded Turntrans-84.2-5173.3-56-171.4000113.5F90 S102 S105 N106 G109 I125F90-L111 HydrophobicContact CB-CD2 4.34Å; S102-L111 WeakPolarHBondContact OG-CA 3.35Å; S102-L111 WeakPolarHBondContact OG-CB 3.19Å; S102-L111 PolarHBondContact OG-O 3.07Å; S105-L111 WeakPolarHBondContact O-CD2 3.45Å; S105-L111 WeakPolarHBondContact O-CG 3.28Å; N106-L111 HydrophobicContact CB-CB 4.25Å; N106-L111 HydrophobicContact CB-CD1 3.65Å; N106-L111 HydrophobicContact CB-CG 3.61Å; N106-L111 VanDerWaalsContact CG-CG 3.49Å; N106-L111 WeakPolarHBondContact OD1-CB 3.42Å; N106-L111 PolarHBondContact OD1-N 2.9Å; G109-L111 PolarHBondContact O-N 2.92Å; G109-L111 VanDerWaalsContact O-N 3.14Å; L111-I125 VanDerWaalsContact O-CD1 3.31Å; L111-I125 WeakPolarHBondContact O-CD1 3.29Å; L111-I125 WeakPolarHBondContact O-CG1 3.47Å
112G97.1Very high95.9Very high4 Ų442.5 Ų42.54%0.04123%0.226CC..SBendtrans71.729.517800000113.3G109 Q110 W152 Y180G109-G112 PolarHBondContact O-N 2.92Å; Q110-G112 VanDerWaalsContact C-N 3.32Å; G112-W152 VanDerWaalsContact CA-CD1 3.48Å; G112-W152 VanDerWaalsContact N-CD1 3.34Å; G112-Y180 CarbonylContact C-O 3.53Å; G112-Y180 WeakPolarHBondContact CA-O 3.36Å
113K92.1Very high95.8Very high73 Ų7343.9 Ų43.932%0.31724%0.235SC..SBendtrans-128.2152.4176.9-59.3-167.2175.6-151.30111S115 V123 R124 Y180K113-S115 VanDerWaalsContact C-N 3.26Å; K113-S115 PolarHBondContact O-N 2.92Å; K113-S115 VanDerWaalsContact O-O 3.06Å; K113-V123 HydrophobicContact CD-CG2 4.1Å; K113-R124 WeakPolarHBondContact CE-O 3.31Å; K113-R124 PolarHBondContact NZ-O 3.43Å; K113-Y180 CarbonylContact C-O 3.07Å; K113-Y180 PolarHBondContact N-O 3.05Å
114E86Confident95.7Very high113 Ų11351.2 Ų51.253%0.52826%0.262SS..SBendtrans-62.9-27.9178.2-83.9-178.5162.300114.5R181E114-R181 HydrophobicContact CG-CG 4.43Å; E114-R181 VanDerWaalsContact CG-CZ 3.45Å; E114-R181 IonicContact OE1-CZ 2.75Å; E114-R181 IonicContact OE1-NH1 3.09Å; E114-R181 PolarHBondContact OE1-NH1 2.61Å; E114-R181 IonicContact OE1-NH2 2.74Å; E114-R181 PolarHBondContact OE1-NH2 2.88Å; E114-R181 IonicContact OE2-CZ 2.82Å; E114-R181 IonicContact OE2-NH1 2.9Å; E114-R181 IonicContact OE2-NH2 3.27Å; E114-R181 PolarHBondContact OE2-NH2 3.27Å
115S89.3Confident95.7Very high57 Ų5751.3 Ų51.340%0.39926%0.263SS..  trans-68150.7173.1-176.40000110.2N106 K113 N117N106-S115 PolarHBondContact ND2-O 2.78Å; K113-S115 VanDerWaalsContact C-N 3.26Å; K113-S115 PolarHBondContact O-N 2.92Å; K113-S115 VanDerWaalsContact O-O 3.06Å; S115-N117 WeakPolarHBondContact OG-CB 3.42Å; S115-N117 PolarHBondContact OG-N 2.8Å; S115-N117 VanDerWaalsContact OG-N 3.15Å; S115-N117 PolarHBondContact OG-ND2 2.83Å
116I90.8Very high95.6Very high91 Ų9158.4 Ų58.447%0.46730%0.3SS..  trans-98.93.217060.5171.2000112.9N106 Y180N106-I116 CarbonylContact C-O 3.58Å; I116-Y180 HydrophobicContact CG2-CD1 4.39Å; I116-Y180 HydrophobicContact CG2-CE1 3.56Å
117N95.7Very high95.5Very high113 Ų11359.7 Ų59.760%0.60431%0.307SS*.  trans-72.1138.7-179.3-64.7-17000110N106 S115N106-N117 WeakPolarHBondContact CB-O 3.23Å; N106-N117 PolarHBondContact ND2-O 2.74Å; S115-N117 WeakPolarHBondContact OG-CB 3.42Å; S115-N117 PolarHBondContact OG-N 2.8Å; S115-N117 VanDerWaalsContact OG-N 3.15Å; S115-N117 PolarHBondContact OG-ND2 2.83Å
118S97.1Very high95.5Very high65 Ų6556.5 Ų56.546%0.45529%0.292SS..  trans-62.1159.2166.855.10000111V58 G104V58-S118 WeakPolarHBondContact O-CB 3.4Å; G104-S118 CarbonylContact O-C 3.55Å; G104-S118 WeakPolarHBondContact O-CA 3.47Å; G104-S118 VanDerWaalsContact O-CB 3.24Å; G104-S118 WeakPolarHBondContact O-CB 3.31Å
119S97.3Very high95.6Very high19 Ų1957.2 Ų57.213%0.13330%0.303CS..EExtended strand (participates in β ladder)trans-128.3119175.3-170.50000110.5G104 V121 V123G104-S119 PolarHBondContact N-O 3.5Å; G104-S119 PolarHBondContact O-N 2.99Å; S119-V121 PolarHBondContact O-N 2.81Å; S119-V121 PolarHBondContact OG-O 3.41Å; S119-V123 WeakPolarHBondContact OG-CG1 3.15Å
120I96.7Very high95.7Very high95 Ų9557.3 Ų57.349%0.48730%0.304SS..EExtended strand (participates in β ladder)trans-79.1-6.2174.864.9167.2000113.1G62 R63G62-I120 CarbonylContact C-O 3.6Å; G62-I120 VanDerWaalsContact CA-O 3.31Å; G62-I120 WeakPolarHBondContact CA-O 3.37Å; R63-I120 PolarHBondContact N-O 3.22Å; R63-I120 VanDerWaalsContact N-O 3.08Å
121V96.4Very high95.7Very high77 Ų7760.9 Ų60.947%0.46732%0.317SS..EExtended strand (participates in β ladder)trans-124.4151.1175.7-67.20000110.1W103 S119 V123W103-V121 WeakPolarHBondContact CB-O 3.17Å; S119-V121 PolarHBondContact O-N 2.81Å; S119-V121 PolarHBondContact OG-O 3.41Å; V121-V123 PolarHBondContact O-N 2.98Å
122P98Very high95.7Very high8 Ų860.9 Ų60.95%0.05232%0.318CS..EExtended strand (participates in β ladder)trans-55.1131.2171.5-26.336.4000112I73 F75 F77 F101 W103I73-P122 HydrophobicContact CG2-CG 3.98Å; F75-P122 HydrophobicContact CB-CG 3.8Å; F75-P122 HydrophobicContact CD1-CB 3.98Å; F75-P122 HydrophobicContact CD1-CG 4.09Å; F75-P122 HydrophobicContact CD2-CB 3.84Å; F75-P122 HydrophobicContact CD2-CG 3.93Å; F75-P122 HydrophobicContact CE1-CB 4.14Å; F75-P122 HydrophobicContact CE2-CB 4Å; F75-P122 HydrophobicContact CG-CB 3.83Å; F75-P122 HydrophobicContact CG-CG 3.66Å; F75-P122 HydrophobicContact CZ-CB 4.16Å; F77-P122 HydrophobicContact CE1-CB 4.08Å; F77-P122 HydrophobicContact CE1-CG 4.13Å; F77-P122 HydrophobicContact CE2-CG 4.41Å; F77-P122 HydrophobicContact CZ-CB 4Å; F77-P122 HydrophobicContact CZ-CG 3.53Å; F101-P122 HydrophobicContact CB-CB 4.37Å; F101-P122 HydrophobicContact CD1-CB 4.41Å; W103-P122 HydrophobicContact CD2-CB 4.41Å; W103-P122 HydrophobicContact CD2-CG 4.1Å; W103-P122 HydrophobicContact CE3-CB 3.73Å; W103-P122 HydrophobicContact CE3-CG 3.82Å; W103-P122 HydrophobicContact CZ3-CB 4.23Å; W103-P122 HydrophobicContact CZ3-CG 4.28Å
123V97.1Very high95.8Very high30 Ų3061.1 Ų61.118%0.18232%0.317CS..EExtended strand (participates in β ladder)trans-123.2135.5176.1-67.20000110.7F101 S102 K113 S119 V121F101-V123 CarbonylContact C-O 3.53Å; F101-V123 VanDerWaalsContact CA-O 3.26Å; F101-V123 WeakPolarHBondContact CA-O 3.19Å; S102-V123 PolarHBondContact N-O 2.89Å; S102-V123 WeakPolarHBondContact O-CG2 3.35Å; S102-V123 PolarHBondContact O-N 3.05Å; K113-V123 HydrophobicContact CD-CG2 4.1Å; S119-V123 WeakPolarHBondContact OG-CG1 3.15Å; V121-V123 PolarHBondContact O-N 2.98Å
124R97.2Very high96.1Very high153 Ų15358.5 Ų58.558%0.57731%0.309SS*.EExtended strand (participates in β ladder)trans-68.8137.2177.8-171.6174.5178.7162.25.2111S99 V100 F101 K113S99-R124 PolarHBondContact OG-NH2 3.48Å; V100-R124 WeakPolarHBondContact O-CA 3.08Å; F101-R124 HydrophobicContact CD1-CB 4.07Å; F101-R124 HydrophobicContact CE1-CB 3.7Å; F101-R124 HydrophobicContact CE1-CG 4.28Å; F101-R124 HydrophobicContact CZ-CB 4.22Å; F101-R124 HydrophobicContact CZ-CG 4.32Å; K113-R124 WeakPolarHBondContact CE-O 3.31Å; K113-R124 PolarHBondContact NZ-O 3.43Å
125I97.3Very high96.7Very high3 Ų353.4 Ų53.42%0.01529%0.286CS..  trans-93.4137170.2-56-174000108.9V100 L111 I127 W152 P182V100-I125 HydrophobicContact CB-CB 4.26Å; V100-I125 HydrophobicContact CG1-CB 4.4Å; V100-I125 HydrophobicContact CG1-CD1 3.87Å; V100-I125 HydrophobicContact CG1-CG1 4.29Å; V100-I125 PolarHBondContact O-N 2.8Å; L111-I125 VanDerWaalsContact O-CD1 3.31Å; L111-I125 WeakPolarHBondContact O-CD1 3.29Å; L111-I125 WeakPolarHBondContact O-CG1 3.47Å; I125-I127 HydrophobicContact CB-CG2 4.49Å; I125-I127 HydrophobicContact CG2-CB 4.35Å; I125-I127 HydrophobicContact CG2-CG2 4.13Å; I125-I127 PolarHBondContact O-N 3.46Å; I125-W152 HydrophobicContact CD1-CH2 4.24Å; I125-W152 HydrophobicContact CD1-CZ2 3.45Å; I125-W152 VanDerWaalsContact CD1-CZ2 3.45Å; I125-P182 HydrophobicContact CG2-CG 3.51Å
126D96Very high97.1Very high150 Ų15050.8 Ų50.880%0.80227%0.267SS*.  trans-84.995.9174.8-168.318.2000109.8
127I96.2Very high97.5Very high30 Ų3047.3 Ų47.315%0.15425%0.25CC..  trans-152152.5-179.2-169176000108.9V100 I125 V130 F150 W152 P182V100-I127 HydrophobicContact CB-CG2 4.2Å; V100-I127 HydrophobicContact CG2-CG2 3.77Å; I125-I127 HydrophobicContact CB-CG2 4.49Å; I125-I127 HydrophobicContact CG2-CB 4.35Å; I125-I127 HydrophobicContact CG2-CG2 4.13Å; I125-I127 PolarHBondContact O-N 3.46Å; I127-V130 HydrophobicContact CD1-CG2 3.99Å; I127-V130 HydrophobicContact CG1-CG2 4.48Å; I127-V130 HydrophobicContact CG2-CG2 4.06Å; I127-F150 HydrophobicContact CD1-CB 3.82Å; I127-F150 HydrophobicContact CD1-CD1 4.29Å; I127-F150 HydrophobicContact CD1-CD2 4.22Å; I127-F150 HydrophobicContact CD1-CG 3.88Å; I127-F150 HydrophobicContact CG1-CG 4.45Å; I127-W152 HydrophobicContact CD1-CZ3 3.95Å; I127-P182 HydrophobicContact CB-CB 4.38Å; I127-P182 HydrophobicContact CB-CG 4.15Å; I127-P182 HydrophobicContact CD1-CB 3.81Å; I127-P182 HydrophobicContact CD1-CG 4.2Å; I127-P182 HydrophobicContact CG1-CB 4.14Å; I127-P182 HydrophobicContact CG1-CG 4.43Å
128E96.3Very high97.6Very high52 Ų5243.9 Ų43.924%0.24323%0.228CC..SBendtrans-59.3153.9170.165.7177.2-16000111.5V130 T144 S146 K148 F150E128-V130 WeakPolarHBondContact O-CG2 3.24Å; E128-V130 PolarHBondContact O-N 3.33Å; E128-T144 HydrophobicContact CG-CG2 3.39Å; E128-T144 WeakPolarHBondContact OE1-CB 3.39Å; E128-T144 WeakPolarHBondContact OE1-CG2 3.33Å; E128-T144 PolarHBondContact OE1-OG1 3.27Å; E128-S146 PolarHBondContact OE1-OG 2.88Å; E128-K148 WeakPolarHBondContact OE1-CB 3.36Å; E128-K148 VanDerWaalsContact OE1-CD 3.25Å; E128-K148 WeakPolarHBondContact OE1-CD 3.41Å; E128-K148 WeakPolarHBondContact OE1-CG 2.97Å; E128-K148 IonicContact OE1-NZ 3.25Å; E128-K148 IonicContact OE2-NZ 2.72Å; E128-K148 PolarHBondContact OE2-NZ 2.89Å; E128-F150 HydrophobicContact CG-CE2 4.18Å
129P98.3Very high97.6Very high66 Ų6640.8 Ų40.843%0.42921%0.207SC..PPolyproline II helixtrans-49.6129.1-174.2-32.437.9000114.1G98 T144 I145G98-P129 WeakPolarHBondContact O-CA 3.43Å; P129-T144 CarbonylContact O-C 3.55Å; P129-T144 VanDerWaalsContact O-CA 3.27Å; P129-T144 WeakPolarHBondContact O-CA 3.2Å; P129-T144 WeakPolarHBondContact O-CB 3.48Å; P129-I145 HydrophobicContact CB-CD1 3.64Å; P129-I145 HydrophobicContact CB-CG1 4.12Å; P129-I145 PolarHBondContact O-N 2.83Å
130V98.5Very high97.7Very high2 Ų239.9 Ų39.91%0.01220%0.201CC..EExtended strand (participates in β ladder)trans-101.6140.6-174.7173.60000111.6V94 G98 V100 I127 E128 S132 I133 T144V94-V130 HydrophobicContact CG1-CB 4.4Å; V94-V130 HydrophobicContact CG1-CG1 4.44Å; V94-V130 VanDerWaalsContact CG1-O 3.24Å; V94-V130 WeakPolarHBondContact CG1-O 3.24Å; V94-V130 HydrophobicContact CG2-CB 4.26Å; V94-V130 HydrophobicContact CG2-CG1 3.79Å; G98-V130 VanDerWaalsContact CA-O 3.23Å; G98-V130 WeakPolarHBondContact CA-O 3.48Å; G98-V130 PolarHBondContact O-N 3.48Å; V100-V130 HydrophobicContact CG2-CB 3.6Å; V100-V130 HydrophobicContact CG2-CG1 4.31Å; V100-V130 HydrophobicContact CG2-CG2 3.47Å; V100-V130 VanDerWaalsContact CG2-CG2 3.47Å; I127-V130 HydrophobicContact CD1-CG2 3.99Å; I127-V130 HydrophobicContact CG1-CG2 4.48Å; I127-V130 HydrophobicContact CG2-CG2 4.06Å; E128-V130 WeakPolarHBondContact O-CG2 3.24Å; E128-V130 PolarHBondContact O-N 3.33Å; V130-S132 WeakPolarHBondContact CG1-O 3.19Å; V130-I133 HydrophobicContact CG1-CB 4.25Å; V130-T144 HydrophobicContact CG2-CG2 4.31Å
131R97.5Very high97.8Very high75 Ų7535.4 Ų35.428%0.28318%0.177SC..EExtended strand (participates in β ladder)trans-108.3-31.8171.460.2162.8165.4-162.9-15.7114V143 T144 I145 W195 V196R131-V143 HydrophobicContact CG-CG1 4.17Å; R131-V143 VanDerWaalsContact CG-O 3.26Å; R131-V143 WeakPolarHBondContact CG-O 3.32Å; R131-V143 PolarHBondContact N-O 2.85Å; R131-T144 PolarHBondContact NE-O 2.78Å; R131-I145 HydrophobicContact CB-CG1 4.18Å; R131-W195 PolarHBondContact NH2-O 2.82Å; R131-V196 VanDerWaalsContact CZ-CA 3.49Å; R131-V196 PolarHBondContact NE-O 3.34Å
132S98.1Very high97.9Very high3 Ų331.7 Ų31.72%0.02116%0.155CC..EExtended strand (participates in β ladder)trans-134139.1179.7-156.90000109.5K83 V130 S142 V143 D197K83-S132 PolarHBondContact NZ-OG 3.25Å; V130-S132 WeakPolarHBondContact CG1-O 3.19Å; S132-S142 CarbonylContact O-C 3.58Å; S132-S142 VanDerWaalsContact O-CA 3.23Å; S132-S142 WeakPolarHBondContact O-CA 3.2Å; S132-V143 PolarHBondContact N-O 2.9Å; S132-V143 VanDerWaalsContact N-O 3.16Å; S132-V143 PolarHBondContact O-N 2.88Å; S132-D197 WeakPolarHBondContact CB-OD1 3.37Å; S132-D197 PolarHBondContact OG-OD1 3.41Å
133I98.7Very high97.8Very high8 Ų831.3 Ų31.34%0.04115%0.153CC..EExtended strand (participates in β ladder)trans-145.8142.8179.8-162.6162.9000108.2K83 V92 V94 V100 V130 V140 V141 W152K83-I133 HydrophobicContact CB-CG2 4.38Å; V92-I133 HydrophobicContact CB-CD1 4.05Å; V92-I133 HydrophobicContact CG2-CD1 3.87Å; V92-I133 HydrophobicContact CG2-CG1 4.02Å; V92-I133 HydrophobicContact CG2-CG2 4.17Å; V94-I133 HydrophobicContact CG2-CB 3.83Å; V94-I133 HydrophobicContact CG2-CD1 4.14Å; V94-I133 HydrophobicContact CG2-CG2 3.45Å; V94-I133 VanDerWaalsContact CG2-CG2 3.45Å; V100-I133 HydrophobicContact CG1-CD1 3.64Å; V130-I133 HydrophobicContact CG1-CB 4.25Å; I133-V140 HydrophobicContact CD1-CG1 3.86Å; I133-V140 HydrophobicContact CG1-CG1 3.53Å; I133-V141 WeakPolarHBondContact CA-O 3.05Å; I133-W152 HydrophobicContact CD1-CH2 3.88Å; I133-W152 HydrophobicContact CD1-CZ2 4.1Å
134S98.8Very high97.8Very high19 Ų1929.9 Ų29.913%0.13314%0.144CC..EExtended strand (participates in β ladder)trans-141.6126.3172.7-1680000109.7V140 V141 A200S134-V140 WeakPolarHBondContact O-CA 3.49Å; S134-V141 PolarHBondContact N-O 3.35Å; S134-V141 PolarHBondContact O-N 2.9Å; S134-A200 PolarHBondContact OG-N 3.34Å
135A98.8Very high97.8Very high6 Ų627.5 Ų27.55%0.0514%0.142CC..EExtended strand (participates in β ladder)trans-86.6126.8169.100000109.8S85 F90 V92S85-A135 PolarHBondContact OG-N 2.8Å; F90-A135 HydrophobicContact CE1-CB 4.43Å; F90-A135 HydrophobicContact CE2-CB 3.82Å; F90-A135 HydrophobicContact CZ-CB 3.59Å; V92-A135 HydrophobicContact CG2-CB 4.29Å
136G98.5Very high97.6Very high1 Ų130.8 Ų30.81%0.0117%0.165CC..  trans-90.8-157.2167.900000110.8G87 R138 H139 A200 G201 Y403G87-G136 WeakPolarHBondContact CA-O 3.18Å; G136-R138 PolarHBondContact O-N 3.19Å; G136-H139 PolarHBondContact N-O 2.77Å; G136-A200 VanDerWaalsContact N-CB 3.32Å; G136-G201 WeakPolarHBondContact CA-O 3.25Å; G136-Y403 PolarHBondContact O-OH 2.87Å
137L98.2Very high97.5Very high18 Ų1823.9 Ų23.99%0.09413%0.129CC..SBendtrans-60.5-47.5179.9-168.575.3000111.8W88 G201 A202 Y203 W263 Y403W88-L137 HydrophobicContact CB-CD1 3.87Å; W88-L137 HydrophobicContact CB-CG 4.31Å; W88-L137 VanDerWaalsContact CB-O 3.31Å; W88-L137 WeakPolarHBondContact CB-O 3.36Å; W88-L137 HydrophobicContact CD2-CD1 4.11Å; W88-L137 HydrophobicContact CE3-CD1 3.67Å; W88-L137 HydrophobicContact CG-CD1 4.18Å; W88-L137 PolarHBondContact N-O 3.09Å; L137-G201 PolarHBondContact N-O 3.43Å; L137-A202 HydrophobicContact CB-CB 4.44Å; L137-A202 VanDerWaalsContact CB-O 3.26Å; L137-A202 WeakPolarHBondContact CB-O 3.46Å; L137-Y203 HydrophobicContact CD2-CE1 3.62Å; L137-Y203 WeakPolarHBondContact CD2-OH 3.3Å; L137-W263 HydrophobicContact CD1-CZ2 4.16Å; L137-Y403 HydrophobicContact CD1-CE2 3.85Å
138R98.1Very high97.4Very high42 Ų4226.2 Ų26.216%0.15814%0.138CC..SBendtrans-142.616-172.8-58.1-62.7-175.8-173.99.9113.5D89 Y108 G136 S154D89-R138 IonicContact OD1-CZ 2.63Å; D89-R138 IonicContact OD1-NH1 2.93Å; D89-R138 PolarHBondContact OD1-NH1 3.01Å; D89-R138 IonicContact OD2-CZ 2.75Å; D89-R138 IonicContact OD2-NH1 3.59Å; D89-R138 PolarHBondContact OD2-NH1 2.78Å; D89-R138 IonicContact OD2-NH2 3.37Å; Y108-R138 HydrophobicContact CD2-CB 4.3Å; Y108-R138 HydrophobicContact CD2-CG 4.13Å; Y108-R138 HydrophobicContact CE2-CG 4.28Å; Y108-R138 HydrophobicContact CG-CB 4.08Å; Y108-R138 HydrophobicContact CG-CG 4.29Å; G136-R138 PolarHBondContact O-N 3.19Å; R138-S154 WeakPolarHBondContact O-CB 3.37Å; R138-S154 PolarHBondContact O-N 3.26Å
139H98.3Very high97.3Very high0 Ų023.7 Ų23.70%013%0.126CC..EExtended strand (participates in β ladder)trans-145.2166.1-175.873-73.1000110.5G136 W152 Q159 L160 G201 S205G136-H139 PolarHBondContact N-O 2.77Å; H139-W152 CarbonylContact C-O 3.59Å; H139-W152 WeakPolarHBondContact CA-O 3.24Å; H139-W152 WeakPolarHBondContact CB-O 3.39Å; H139-Q159 HydrophobicContact CB-CG 4.09Å; H139-L160 HydrophobicContact CB-CD2 4.14Å; H139-G201 PolarHBondContact CE1-O 3.26Å; H139-S205 PolarHBondContact NE2-OG 2.81Å
140V98.8Very high97.2Very high0 Ų022 Ų220%011%0.112CC..EExtended strand (participates in β ladder)trans-130.6139.8175.6-176.30000108.7F90 V92 I133 S134 G151 W152F90-V140 HydrophobicContact CE2-CG2 3.43Å; F90-V140 VanDerWaalsContact CE2-CG2 3.43Å; F90-V140 HydrophobicContact CZ-CG2 3.7Å; V92-V140 HydrophobicContact CG1-CG2 4.17Å; I133-V140 HydrophobicContact CD1-CG1 3.86Å; I133-V140 HydrophobicContact CG1-CG1 3.53Å; S134-V140 WeakPolarHBondContact O-CA 3.49Å; V140-G151 CarbonylContact O-C 2.88Å; V140-G151 WeakPolarHBondContact O-CA 3.18Å; V140-W152 HydrophobicContact CB-CD2 3.92Å; V140-W152 VanDerWaalsContact CB-CE2 3.43Å; V140-W152 HydrophobicContact CB-CE3 4.48Å; V140-W152 HydrophobicContact CB-CG 4.38Å; V140-W152 HydrophobicContact CB-CH2 4.24Å; V140-W152 HydrophobicContact CB-CZ2 3.62Å; V140-W152 HydrophobicContact CG1-CD2 4.37Å; V140-W152 HydrophobicContact CG1-CH2 3.62Å; V140-W152 HydrophobicContact CG1-CZ2 3.31Å; V140-W152 HydrophobicContact CG1-CZ3 4.25Å; V140-W152 HydrophobicContact CG2-CZ2 4.05Å; V140-W152 PolarHBondContact N-O 2.88Å; V140-W152 PolarHBondContact O-N 2.69Å
141V98.3Very high97.1Very high0 Ų021.9 Ų21.90%011%0.111CC..EExtended strand (participates in β ladder)trans-118145.6162.8-67.10000109.1I133 S134 F150 L160 C198 A200 S205 F217I133-V141 WeakPolarHBondContact CA-O 3.05Å; S134-V141 PolarHBondContact N-O 3.35Å; S134-V141 PolarHBondContact O-N 2.9Å; V141-F150 CarbonylContact C-O 3.55Å; V141-F150 WeakPolarHBondContact CA-O 3.21Å; V141-L160 HydrophobicContact CG1-CD2 4.06Å; V141-C198 HydrophobicContact CB-CB 4.47Å; V141-C198 HydrophobicContact CG2-CB 3.87Å; V141-A200 HydrophobicContact CG2-CB 4.11Å; V141-S205 WeakPolarHBondContact CG1-OG 3.45Å; V141-F217 HydrophobicContact CG1-CE2 4.46Å; V141-F217 HydrophobicContact CG1-CZ 4.45Å
142S98.3Very high97Very high0 Ų018.3 Ų18.30%010%0.098CC..EExtended strand (participates in β ladder)trans-144.9147.7-177.967.10000111.4S132 L149 F150 W152S132-S142 CarbonylContact O-C 3.58Å; S132-S142 VanDerWaalsContact O-CA 3.23Å; S132-S142 WeakPolarHBondContact O-CA 3.2Å; S142-L149 WeakPolarHBondContact O-CA 3.34Å; S142-L149 WeakPolarHBondContact O-CD1 3.44Å; S142-F150 PolarHBondContact N-O 2.94Å; S142-F150 PolarHBondContact O-N 2.63Å; S142-W152 WeakPolarHBondContact OG-CZ3 3.48Å
143V97.2Very high97Very high0 Ų018.1 Ų18.10%010%0.097CC..EExtended strand (participates in β ladder)trans-115.8126.5173.5174.40000108.8R131 S132 K148 L149 W195 C198R131-V143 HydrophobicContact CG-CG1 4.17Å; R131-V143 VanDerWaalsContact CG-O 3.26Å; R131-V143 WeakPolarHBondContact CG-O 3.32Å; R131-V143 PolarHBondContact N-O 2.85Å; S132-V143 PolarHBondContact N-O 2.9Å; S132-V143 VanDerWaalsContact N-O 3.16Å; S132-V143 PolarHBondContact O-N 2.88Å; V143-K148 WeakPolarHBondContact CA-O 3.4Å; V143-L149 HydrophobicContact CG2-CD1 3.68Å; V143-W195 VanDerWaalsContact CG1-C 3.47Å; V143-W195 HydrophobicContact CG1-CB 3.9Å; V143-W195 WeakPolarHBondContact CG1-O 3.35Å; V143-W195 HydrophobicContact CG2-CB 3.9Å; V143-C198 HydrophobicContact CG2-CB 3.92Å
144T97.1Very high96.9Very high0 Ų018 Ų180%010%0.097CC..EExtended strand (participates in β ladder)trans-82.3161.7-177.968.60000111.4E128 P129 V130 R131 S146 G147 K148 F150E128-T144 HydrophobicContact CG-CG2 3.39Å; E128-T144 WeakPolarHBondContact OE1-CB 3.39Å; E128-T144 WeakPolarHBondContact OE1-CG2 3.33Å; E128-T144 PolarHBondContact OE1-OG1 3.27Å; P129-T144 CarbonylContact O-C 3.55Å; P129-T144 VanDerWaalsContact O-CA 3.27Å; P129-T144 WeakPolarHBondContact O-CA 3.2Å; P129-T144 WeakPolarHBondContact O-CB 3.48Å; V130-T144 HydrophobicContact CG2-CG2 4.31Å; R131-T144 PolarHBondContact NE-O 2.78Å; T144-S146 PolarHBondContact O-N 3.14Å; T144-S146 PolarHBondContact OG1-OG 2.91Å; T144-G147 PolarHBondContact O-N 3.05Å; T144-K148 PolarHBondContact N-O 3.03Å; T144-K148 WeakPolarHBondContact OG1-CB 3.25Å; T144-K148 PolarHBondContact OG1-N 2.84Å; T144-K148 PolarHBondContact OG1-O 3.19Å; T144-F150 HydrophobicContact CG2-CD2 3.61Å; T144-F150 HydrophobicContact CG2-CE2 3.83Å
145I95.9Very high96.7Very high103 Ų10317.1 Ų17.153%0.5289%0.091SC..THydrogen-bonded Turntrans-60.8-33.5176.6-64.6179.3000110.4P129 R131 G147P129-I145 HydrophobicContact CB-CD1 3.64Å; P129-I145 HydrophobicContact CB-CG1 4.12Å; P129-I145 PolarHBondContact O-N 2.83Å; R131-I145 HydrophobicContact CB-CG1 4.18Å; I145-G147 PolarHBondContact O-N 3.43Å
146S94.1Very high96.4Very high71 Ų7123 Ų2350%0.49711%0.111SC..THydrogen-bonded Turntrans-74.7-3.417565.20000113.8E128 T144E128-S146 PolarHBondContact OE1-OG 2.88Å; T144-S146 PolarHBondContact O-N 3.14Å; T144-S146 PolarHBondContact OG1-OG 2.91Å
147G94Very high96.1Very high5 Ų527.2 Ų27.25%0.05213%0.127CC..SBendtrans86.917175.400000115.3T144 I145 W195T144-G147 PolarHBondContact O-N 3.05Å; I145-G147 PolarHBondContact O-N 3.43Å; G147-W195 WeakPolarHBondContact CA-O 3.33Å; G147-W195 PolarHBondContact O-N 2.88Å
148K94Very high95.8Very high79 Ų7929.2 Ų29.234%0.34314%0.135SC..  trans-88.7148.2173.5-55.3-174.8-159.5147.30111E128 V143 T144 F150 L184E128-K148 WeakPolarHBondContact OE1-CB 3.36Å; E128-K148 VanDerWaalsContact OE1-CD 3.25Å; E128-K148 WeakPolarHBondContact OE1-CD 3.41Å; E128-K148 WeakPolarHBondContact OE1-CG 2.97Å; E128-K148 IonicContact OE1-NZ 3.25Å; E128-K148 IonicContact OE2-NZ 2.72Å; E128-K148 PolarHBondContact OE2-NZ 2.89Å; V143-K148 WeakPolarHBondContact CA-O 3.4Å; T144-K148 PolarHBondContact N-O 3.03Å; T144-K148 WeakPolarHBondContact OG1-CB 3.25Å; T144-K148 PolarHBondContact OG1-N 2.84Å; T144-K148 PolarHBondContact OG1-O 3.19Å; K148-F150 HydrophobicContact CB-CD2 4.14Å; K148-F150 HydrophobicContact CB-CE2 3.71Å; K148-F150 HydrophobicContact CD-CE2 4.14Å; K148-L184 HydrophobicContact CB-CD1 3.81Å; K148-L184 HydrophobicContact CD-CD1 4.01Å; K148-L184 HydrophobicContact CG-CD1 4.32Å
149L94.9Very high95.6Very high0 Ų027.2 Ų27.20%013%0.127CC..EExtended strand (participates in β ladder)trans-102.3123.4175.2-174.873.3000109.4S142 V143 L185 N186 L189 W195 C198 A207 F217S142-L149 WeakPolarHBondContact O-CA 3.34Å; S142-L149 WeakPolarHBondContact O-CD1 3.44Å; V143-L149 HydrophobicContact CG2-CD1 3.68Å; L149-L185 HydrophobicContact CB-CB 4.48Å; L149-L185 HydrophobicContact CD2-CB 4.05Å; L149-L185 HydrophobicContact CD2-CD1 4.19Å; L149-L185 HydrophobicContact CG-CB 4.22Å; L149-L185 HydrophobicContact CG-CD1 4.24Å; L149-L185 PolarHBondContact O-N 3.37Å; L149-N186 PolarHBondContact N-OD1 2.91Å; L149-N186 PolarHBondContact O-OD1 2.82Å; L149-L189 HydrophobicContact CD2-CD1 3.44Å; L149-L189 VanDerWaalsContact CD2-CD1 3.44Å; L149-W195 HydrophobicContact CB-CB 4.39Å; L149-W195 HydrophobicContact CB-CD2 4.24Å; L149-W195 HydrophobicContact CB-CG 3.8Å; L149-W195 HydrophobicContact CD2-CD2 4.43Å; L149-C198 HydrophobicContact CD1-CB 4.29Å; L149-A207 HydrophobicContact CD1-CB 3.86Å; L149-A207 HydrophobicContact CD2-CB 3.74Å; L149-A207 HydrophobicContact CG-CB 4.47Å; L149-F217 HydrophobicContact CD2-CE1 4.21Å; L149-F217 HydrophobicContact CD2-CZ 3.98Å
150F95.1Very high95.4Very high29 Ų2927.2 Ų27.213%0.12713%0.127CC..EExtended strand (participates in β ladder)trans-119.1154.3174.4-76.7-101000110.7I127 E128 V141 S142 T144 K148 P182 T183 L184I127-F150 HydrophobicContact CD1-CB 3.82Å; I127-F150 HydrophobicContact CD1-CD1 4.29Å; I127-F150 HydrophobicContact CD1-CD2 4.22Å; I127-F150 HydrophobicContact CD1-CG 3.88Å; I127-F150 HydrophobicContact CG1-CG 4.45Å; E128-F150 HydrophobicContact CG-CE2 4.18Å; V141-F150 CarbonylContact C-O 3.55Å; V141-F150 WeakPolarHBondContact CA-O 3.21Å; S142-F150 PolarHBondContact N-O 2.94Å; S142-F150 PolarHBondContact O-N 2.63Å; T144-F150 HydrophobicContact CG2-CD2 3.61Å; T144-F150 HydrophobicContact CG2-CE2 3.83Å; K148-F150 HydrophobicContact CB-CD2 4.14Å; K148-F150 HydrophobicContact CB-CE2 3.71Å; K148-F150 HydrophobicContact CD-CE2 4.14Å; F150-P182 HydrophobicContact CB-CB 4.46Å; F150-P182 HydrophobicContact CD1-CB 3.93Å; F150-T183 CarbonylContact C-O 3.21Å; F150-T183 VanDerWaalsContact CA-O 3.25Å; F150-T183 WeakPolarHBondContact CA-O 3.5Å; F150-L184 HydrophobicContact CD1-CB 4.31Å; F150-L184 HydrophobicContact CD2-CD1 4.21Å; F150-L184 HydrophobicContact CE1-CB 3.9Å; F150-L184 HydrophobicContact CE1-CD1 4.36Å; F150-L184 HydrophobicContact CE2-CD1 3.77Å; F150-L184 HydrophobicContact CZ-CB 4.16Å; F150-L184 HydrophobicContact CZ-CD1 3.86Å
151G96Very high94.9Very high0 Ų028 Ų280%013%0.131CC..EExtended strand (participates in β ladder)trans-149.4155.1169.400000113.3V140 T183V140-G151 CarbonylContact O-C 2.88Å; V140-G151 WeakPolarHBondContact O-CA 3.18Å; G151-T183 PolarHBondContact N-O 2.98Å; G151-T183 PolarHBondContact O-N 2.93Å
152W96.6Very high94.4Very high0 Ų028 Ų280%013%0.131CC..EExtended strand (participates in β ladder)trans-150.9169.2177.361.591.5000111.1Q110 G112 I125 I127 I133 H139 V140 S142 R181 P182Q110-W152 PolarHBondContact O-NE1 2.94Å; G112-W152 VanDerWaalsContact CA-CD1 3.48Å; G112-W152 VanDerWaalsContact N-CD1 3.34Å; I125-W152 HydrophobicContact CD1-CH2 4.24Å; I125-W152 HydrophobicContact CD1-CZ2 3.45Å; I125-W152 VanDerWaalsContact CD1-CZ2 3.45Å; I127-W152 HydrophobicContact CD1-CZ3 3.95Å; I133-W152 HydrophobicContact CD1-CH2 3.88Å; I133-W152 HydrophobicContact CD1-CZ2 4.1Å; H139-W152 CarbonylContact C-O 3.59Å; H139-W152 WeakPolarHBondContact CA-O 3.24Å; H139-W152 WeakPolarHBondContact CB-O 3.39Å; V140-W152 HydrophobicContact CB-CD2 3.92Å; V140-W152 VanDerWaalsContact CB-CE2 3.43Å; V140-W152 HydrophobicContact CB-CE3 4.48Å; V140-W152 HydrophobicContact CB-CG 4.38Å; V140-W152 HydrophobicContact CB-CH2 4.24Å; V140-W152 HydrophobicContact CB-CZ2 3.62Å; V140-W152 HydrophobicContact CG1-CD2 4.37Å; V140-W152 HydrophobicContact CG1-CH2 3.62Å; V140-W152 HydrophobicContact CG1-CZ2 3.31Å; V140-W152 HydrophobicContact CG1-CZ3 4.25Å; V140-W152 HydrophobicContact CG2-CZ2 4.05Å; V140-W152 PolarHBondContact N-O 2.88Å; V140-W152 PolarHBondContact O-N 2.69Å; S142-W152 WeakPolarHBondContact OG-CZ3 3.48Å; W152-R181 WeakPolarHBondContact CB-O 3.19Å; W152-P182 HydrophobicContact CD2-CG 4.2Å; W152-P182 HydrophobicContact CE3-CB 3.77Å; W152-P182 HydrophobicContact CE3-CG 3.78Å; W152-P182 HydrophobicContact CZ3-CB 4.14Å; W152-P182 HydrophobicContact CZ3-CG 4.1Å
153G97.3Very high93.5Very high0 Ų029 Ų290%014%0.136CC..EExtended strand (participates in β ladder)trans96.9-151.2-17500000113.4Y108 C179Y108-G153 CarbonylContact O-C 3.18Å; Y108-G153 WeakPolarHBondContact O-CA 3.38Å; G153-C179 PolarHBondContact N-O 2.82Å; G153-C179 PolarHBondContact O-N 2.84Å
154S96.3Very high92.2Very high6 Ų635.5 Ų35.54%0.04217%0.165CC..EExtended strand (participates in β ladder)trans-62.4138.8-179.6-177.20000111.9Y108 R138 Q159Y108-S154 PolarHBondContact O-N 2.85Å; R138-S154 WeakPolarHBondContact O-CB 3.37Å; R138-S154 PolarHBondContact O-N 3.26Å; S154-Q159 VanDerWaalsContact C-NE2 3.31Å; S154-Q159 WeakPolarHBondContact O-CG 3.42Å; S154-Q159 PolarHBondContact O-NE2 2.87Å; S154-Q159 PolarHBondContact OG-NE2 2.94Å; S154-Q159 VanDerWaalsContact OG-NE2 3.13Å
155N94.3Very high90.9Very high0 Ų042 Ų420%020%0.204CC..  trans-129.217.6172.5-171.252.8000112R157 K158 Q159 L160 F161 V162 Y172 Q177N155-R157 PolarHBondContact O-N 2.87Å; N155-K158 PolarHBondContact O-N 2.95Å; N155-K158 VanDerWaalsContact OD1-CA 3.3Å; N155-K158 WeakPolarHBondContact OD1-CA 3.38Å; N155-Q159 VanDerWaalsContact C-OE1 3.31Å; N155-L160 HydrophobicContact CB-CB 4.41Å; N155-L160 HydrophobicContact CB-CD1 4.29Å; N155-L160 HydrophobicContact CB-CG 4.42Å; N155-L160 WeakPolarHBondContact OD1-CB 3.4Å; N155-L160 PolarHBondContact OD1-N 2.94Å; N155-L160 VanDerWaalsContact OD1-N 3.11Å; N155-F161 PolarHBondContact OD1-N 2.88Å; N155-V162 PolarHBondContact ND2-O 3.49Å; N155-Y172 HydrophobicContact CB-CE2 4.18Å; N155-Q177 CarbonylContact C-O 3.57Å; N155-Q177 WeakPolarHBondContact CA-O 3.23Å; N155-Q177 WeakPolarHBondContact CB-O 3.42Å; N155-Q177 PolarHBondContact N-O 3.02Å
156R93.3Very high89.5Confident128 Ų12840.8 Ų40.848%0.48320%0.198SC..THydrogen-bonded Turntrans-59.9-20.3-175.8-64.3-179.3-176.9-175.44.5114.7Q177R156-Q177 HydrophobicContact CG-CB 4.1Å
157R91.8Very high88.1Confident91 Ų9137.7 Ų37.734%0.34318%0.176SC..THydrogen-bonded Turntrans-12325.1176.4-58.1-179.974.193.714.1111.1N155 Q159 Y203 G218 D219N155-R157 PolarHBondContact O-N 2.87Å; R157-Q159 PolarHBondContact O-N 2.82Å; R157-Y203 VanDerWaalsContact CD-CD1 3.43Å; R157-Y203 VanDerWaalsContact CD-CG 3.42Å; R157-Y203 HydrophobicContact CG-CD1 4.41Å; R157-G218 CarbonylContact O-C 3.59Å; R157-G218 VanDerWaalsContact O-CA 3.31Å; R157-G218 WeakPolarHBondContact O-CA 3.41Å; R157-D219 HydrophobicContact CB-CB 4.44Å; R157-D219 IonicContact CZ-OD2 2.71Å; R157-D219 IonicContact NE-OD2 3.12Å; R157-D219 PolarHBondContact NE-OD2 2.93Å; R157-D219 IonicContact NH2-OD1 2.91Å; R157-D219 IonicContact NH2-OD2 3.56Å; R157-D219 PolarHBondContact NH2-OD2 3.16Å; R157-D219 PolarHBondContact O-N 3.02Å
158K91.4Very high86.7Confident59 Ų5947.5 Ų47.526%0.25722%0.217SC..SBendtrans59.923.1-179.6-52.7-56.7-174.2179.70114.5N155 L160 F161 G218N155-K158 PolarHBondContact O-N 2.95Å; N155-K158 VanDerWaalsContact OD1-CA 3.3Å; N155-K158 WeakPolarHBondContact OD1-CA 3.38Å; K158-L160 PolarHBondContact O-N 3.28Å; K158-F161 WeakPolarHBondContact O-CA 3.34Å; K158-F161 PolarHBondContact O-N 3.47Å; K158-G218 VanDerWaalsContact C-CA 3.41Å; K158-G218 WeakPolarHBondContact O-CA 3.08Å; K158-G218 PolarHBondContact O-N 3.44Å
159Q94.4Very high85.4Confident1 Ų145 Ų451%0.00521%0.212CC..THydrogen-bonded Turntrans-62.8-12.6-179.162.3-9645.700114.5H139 S154 N155 R157 Y203 S205 F217H139-Q159 HydrophobicContact CB-CG 4.09Å; S154-Q159 VanDerWaalsContact C-NE2 3.31Å; S154-Q159 WeakPolarHBondContact O-CG 3.42Å; S154-Q159 PolarHBondContact O-NE2 2.87Å; S154-Q159 PolarHBondContact OG-NE2 2.94Å; S154-Q159 VanDerWaalsContact OG-NE2 3.13Å; N155-Q159 VanDerWaalsContact C-OE1 3.31Å; R157-Q159 PolarHBondContact O-N 2.82Å; Q159-Y203 WeakPolarHBondContact CB-O 3.3Å; Q159-S205 WeakPolarHBondContact O-CB 3.35Å; Q159-S205 PolarHBondContact O-OG 2.85Å; Q159-F217 WeakPolarHBondContact O-CD2 3.27Å; Q159-F217 VanDerWaalsContact O-CE2 3.26Å; Q159-F217 WeakPolarHBondContact O-CE2 3.09Å
160L93.5Very high84.1Confident0 Ų053.5 Ų53.50%025%0.251CS..THydrogen-bonded Turntrans-106.5-5.8170-54.8-179.3000112.5H139 V141 N155 K158 V162 C179 L185H139-L160 HydrophobicContact CB-CD2 4.14Å; V141-L160 HydrophobicContact CG1-CD2 4.06Å; N155-L160 HydrophobicContact CB-CB 4.41Å; N155-L160 HydrophobicContact CB-CD1 4.29Å; N155-L160 HydrophobicContact CB-CG 4.42Å; N155-L160 WeakPolarHBondContact OD1-CB 3.4Å; N155-L160 PolarHBondContact OD1-N 2.94Å; N155-L160 VanDerWaalsContact OD1-N 3.11Å; K158-L160 PolarHBondContact O-N 3.28Å; L160-V162 HydrophobicContact CB-CG2 3.91Å; L160-V162 PolarHBondContact O-N 3.04Å; L160-C179 HydrophobicContact CD1-CB 3.89Å; L160-L185 WeakPolarHBondContact O-CD1 3.37Å; L160-L185 VanDerWaalsContact O-CD2 3.24Å; L160-L185 WeakPolarHBondContact O-CD2 3.45Å
161F89.4Confident83.4Confident15 Ų1555.1 Ų55.17%0.06626%0.259CS..  trans53.533.6-176-157.5-126.2000113.7N155 K158 V188 L189 F217 S241 P243N155-F161 PolarHBondContact OD1-N 2.88Å; K158-F161 WeakPolarHBondContact O-CA 3.34Å; K158-F161 PolarHBondContact O-N 3.47Å; F161-V188 HydrophobicContact CD1-CB 3.8Å; F161-V188 HydrophobicContact CD1-CG1 3.45Å; F161-V188 VanDerWaalsContact CD1-CG1 3.45Å; F161-V188 HydrophobicContact CE1-CB 4Å; F161-V188 HydrophobicContact CE1-CG1 3.25Å; F161-V188 HydrophobicContact CZ-CG1 4.17Å; F161-L189 HydrophobicContact CD1-CD2 3.68Å; F161-L189 HydrophobicContact CE1-CD2 4.2Å; F161-F217 HydrophobicContact CB-CB 4.05Å; F161-F217 HydrophobicContact CB-CD2 3.85Å; F161-F217 HydrophobicContact CB-CG 4.17Å; F161-F217 HydrophobicContact CG-CB 4.29Å; F161-S241 WeakPolarHBondContact CE2-O 3.41Å; F161-P243 HydrophobicContact CD1-CG 3.94Å; F161-P243 HydrophobicContact CE1-CG 3.57Å; F161-P243 HydrophobicContact CZ-CG 4.03Å
162V87.1Confident83Confident1 Ų156.3 Ų56.31%0.00626%0.264CS..  trans-94.2134.21771790000110N155 L160 N167 Y172 T183 L185N155-V162 PolarHBondContact ND2-O 3.49Å; L160-V162 HydrophobicContact CB-CG2 3.91Å; L160-V162 PolarHBondContact O-N 3.04Å; V162-N167 HydrophobicContact CG1-CB 4.2Å; V162-Y172 HydrophobicContact CG1-CD1 4.06Å; V162-Y172 HydrophobicContact CG1-CD2 3.84Å; V162-Y172 HydrophobicContact CG1-CE1 4.46Å; V162-Y172 HydrophobicContact CG1-CE2 4.25Å; V162-Y172 HydrophobicContact CG1-CG 3.73Å; V162-T183 HydrophobicContact CG2-CG2 4.04Å; V162-L185 HydrophobicContact CG2-CD2 3.59Å
163D79.4Confident82.7Confident22 Ų2258.1 Ų58.112%0.11827%0.273CS..  trans-141.2164.2156.174.348.6000109.4V165 L166 N167 L240D163-V165 VanDerWaalsContact C-N 3.28Å; D163-V165 PolarHBondContact O-N 3.45Å; D163-V165 WeakPolarHBondContact OD1-CA 3.33Å; D163-V165 WeakPolarHBondContact OD1-CB 3.18Å; D163-V165 PolarHBondContact OD1-N 2.88Å; D163-L166 WeakPolarHBondContact OD1-CB 3.46Å; D163-L166 WeakPolarHBondContact OD1-CG 3.44Å; D163-L166 PolarHBondContact OD1-N 2.82Å; D163-L166 WeakPolarHBondContact OD2-CD1 3.47Å; D163-L166 WeakPolarHBondContact OD2-CG 3.31Å; D163-N167 WeakPolarHBondContact O-CA 3.18Å; D163-N167 WeakPolarHBondContact O-CB 3.46Å; D163-N167 PolarHBondContact O-N 2.79Å; D163-L240 WeakPolarHBondContact OD2-CD2 3.02Å
164K71Confident82.3Confident136 Ų13663 Ų6359%0.59130%0.296SS*.THydrogen-bonded Turntrans-70.8-23.3-174.8-169.5175.9-179.6-179.90113.6N167 Y172 E174K164-N167 CarbonylContact C-O 3.5Å; K164-Y172 HydrophobicContact CB-CD1 4.5Å; K164-E174 WeakPolarHBondContact CD-OE2 3.34Å; K164-E174 IonicContact NZ-OE2 2.7Å
165V69.6Low82Confident137 Ų13767.7 Ų67.783%0.8333%0.329SS*.THydrogen-bonded Turntrans-79.6-41.7-178.1-179.50000110D163D163-V165 VanDerWaalsContact C-N 3.28Å; D163-V165 PolarHBondContact O-N 3.45Å; D163-V165 WeakPolarHBondContact OD1-CA 3.33Å; D163-V165 WeakPolarHBondContact OD1-CB 3.18Å; D163-V165 PolarHBondContact OD1-N 2.88Å
166L65.7Low81.9Confident76 Ų7672.2 Ų72.240%0.39835%0.348SS..THydrogen-bonded Turntrans-84.3-35.5-179-63.1178.6000112.1D163 V188 L240D163-L166 WeakPolarHBondContact OD1-CB 3.46Å; D163-L166 WeakPolarHBondContact OD1-CG 3.44Å; D163-L166 PolarHBondContact OD1-N 2.82Å; D163-L166 WeakPolarHBondContact OD2-CD1 3.47Å; D163-L166 WeakPolarHBondContact OD2-CG 3.31Å; L166-V188 HydrophobicContact CB-CG1 4.06Å; L166-V188 HydrophobicContact CB-CG2 4.35Å; L166-V188 HydrophobicContact CD1-CG1 3.65Å; L166-V188 HydrophobicContact CG-CG1 4.38Å; L166-L240 HydrophobicContact CD1-CD1 4.45Å; L166-L240 HydrophobicContact CD1-CD2 4.04Å
167N65Low81.9Confident7 Ų769.3 Ų69.34%0.03734%0.34CS..  trans-115.3118.9177.9-70.5-32.4000110.4V162 D163 K164 A169 S187 V188V162-N167 HydrophobicContact CG1-CB 4.2Å; D163-N167 WeakPolarHBondContact O-CA 3.18Å; D163-N167 WeakPolarHBondContact O-CB 3.46Å; D163-N167 PolarHBondContact O-N 2.79Å; K164-N167 CarbonylContact C-O 3.5Å; N167-A169 HydrophobicContact CB-CB 4Å; N167-A169 PolarHBondContact O-N 3.01Å; N167-S187 PolarHBondContact OD1-OG 2.94Å; N167-S187 VanDerWaalsContact OD1-OG 3.11Å; N167-V188 VanDerWaalsContact CG-CG2 3.47Å; N167-V188 VanDerWaalsContact ND2-CG2 3.34Å; N167-V188 WeakPolarHBondContact ND2-CG2 3.4Å; N167-V188 WeakPolarHBondContact OD1-CG2 3.15Å
168K64.3Low82Confident211 Ų21165 Ų6592%0.91732%0.324SS*.  trans-69.743.7161.3-64.4-175.5-179.8-179.90111E170K168-E170 PolarHBondContact O-N 2.59Å; K168-E170 VanDerWaalsContact O-N 3.15Å
169A66.5Low82.2Confident27 Ų2762.2 Ų62.222%0.22331%0.312CS..  trans-76103.2-178.300000108.7N167 H171 Y172 T183N167-A169 HydrophobicContact CB-CB 4Å; N167-A169 PolarHBondContact O-N 3.01Å; A169-H171 PolarHBondContact O-N 2.79Å; A169-Y172 PolarHBondContact O-N 3.26Å; A169-T183 HydrophobicContact CB-CG2 3.66Å
170E68.5Low82.2Confident177 Ų17763.5 Ų63.583%0.82732%0.317SS*.THydrogen-bonded Turntrans-57.3-17.3178.5-65-174.6165.100113.3K168K168-E170 PolarHBondContact O-N 2.59Å; K168-E170 VanDerWaalsContact O-N 3.15Å
171H79.7Confident82.2Confident63 Ų6367.1 Ų67.129%0.29233%0.331SS..THydrogen-bonded Turntrans-113.916.2-173.9-53-44.1000114.5A169 Y180 R181A169-H171 PolarHBondContact O-N 2.79Å; H171-Y180 PolarHBondContact O-N 2.71Å; H171-R181 HydrophobicContact CB-CB 4.03Å; H171-R181 HydrophobicContact CB-CG 4.45Å; H171-R181 PolarHBondContact CE1-NH1 3.25Å; H171-R181 PolarHBondContact NE2-NH1 2.81Å
172Y88.8Confident82.5Confident26 Ų2667.4 Ų67.410%0.10233%0.334CS..EExtended strand (participates in β ladder)trans-91.9114.2173.7179.2-121.2000111.1N155 V162 K164 A169 E174 I178 C179N155-Y172 HydrophobicContact CB-CE2 4.18Å; V162-Y172 HydrophobicContact CG1-CD1 4.06Å; V162-Y172 HydrophobicContact CG1-CD2 3.84Å; V162-Y172 HydrophobicContact CG1-CE1 4.46Å; V162-Y172 HydrophobicContact CG1-CE2 4.25Å; V162-Y172 HydrophobicContact CG1-CG 3.73Å; K164-Y172 HydrophobicContact CB-CD1 4.5Å; A169-Y172 PolarHBondContact O-N 3.26Å; Y172-E174 HydrophobicContact CD1-CB 4.35Å; Y172-E174 HydrophobicContact CE1-CB 4Å; Y172-E174 HydrophobicContact CE1-CG 4.32Å; Y172-E174 PolarHBondContact O-N 2.96Å; Y172-I178 WeakPolarHBondContact CD2-O 3.23Å; Y172-C179 VanDerWaalsContact CD2-SG 3.57Å
173D90.5Very high82.7Confident38 Ų3867.8 Ų67.820%0.20334%0.337CS..EExtended strand (participates in β ladder)trans-83.398.4169.5-176.9-19.6000108.8S175 K176 Q177 I178 Y180D173-S175 VanDerWaalsContact C-N 3.29Å; D173-S175 PolarHBondContact O-N 3.31Å; D173-S175 WeakPolarHBondContact OD1-CB 3.4Å; D173-S175 PolarHBondContact OD1-N 3.44Å; D173-S175 PolarHBondContact OD1-OG 2.86Å; D173-K176 PolarHBondContact O-N 2.85Å; D173-K176 PolarHBondContact OD1-N 3.43Å; D173-K176 VanDerWaalsContact OD1-N 3.14Å; D173-K176 VanDerWaalsContact OD2-CD 3.24Å; D173-K176 WeakPolarHBondContact OD2-CD 3.33Å; D173-K176 WeakPolarHBondContact OD2-CE 3.22Å; D173-K176 WeakPolarHBondContact OD2-CG 3.27Å; D173-K176 IonicContact OD2-NZ 2.7Å; D173-Q177 VanDerWaalsContact O-CA 3.23Å; D173-Q177 WeakPolarHBondContact O-CA 3.28Å; D173-Q177 PolarHBondContact O-N 2.89Å; D173-I178 PolarHBondContact N-O 3.48Å; D173-I178 PolarHBondContact O-N 3.2Å; D173-I178 VanDerWaalsContact O-N 3.11Å; D173-Y180 HydrophobicContact CB-CD2 4.3Å; D173-Y180 HydrophobicContact CB-CE2 3.7Å
174E88.4Confident83.3Confident103 Ų10370 Ų7048%0.48135%0.348SS..THydrogen-bonded Turntrans-61.4-36-179.7-176.5171.5-152.300112.6K164 Y172 K176 Q177K164-E174 WeakPolarHBondContact CD-OE2 3.34Å; K164-E174 IonicContact NZ-OE2 2.7Å; Y172-E174 HydrophobicContact CD1-CB 4.35Å; Y172-E174 HydrophobicContact CE1-CB 4Å; Y172-E174 HydrophobicContact CE1-CG 4.32Å; Y172-E174 PolarHBondContact O-N 2.96Å; E174-K176 VanDerWaalsContact C-N 3.33Å; E174-K176 PolarHBondContact O-N 3.28Å; E174-Q177 WeakPolarHBondContact O-CG 3.45Å; E174-Q177 PolarHBondContact O-N 2.71Å
175S90.6Very high84.2Confident103 Ų10363.6 Ų63.672%0.7232%0.32SS*.THydrogen-bonded Turntrans-66.8-36.2-177.775.10000112.2D173D173-S175 VanDerWaalsContact C-N 3.29Å; D173-S175 PolarHBondContact O-N 3.31Å; D173-S175 WeakPolarHBondContact OD1-CB 3.4Å; D173-S175 PolarHBondContact OD1-N 3.44Å; D173-S175 PolarHBondContact OD1-OG 2.86Å
176K92.2Very high84.8Confident96 Ų9657.6 Ų57.642%0.41728%0.283SS..THydrogen-bonded Turntrans-97.6-11.7178.3-60.8-179.6-167157.80113.3D173 E174 I178 Y180D173-K176 PolarHBondContact O-N 2.85Å; D173-K176 PolarHBondContact OD1-N 3.43Å; D173-K176 VanDerWaalsContact OD1-N 3.14Å; D173-K176 VanDerWaalsContact OD2-CD 3.24Å; D173-K176 WeakPolarHBondContact OD2-CD 3.33Å; D173-K176 WeakPolarHBondContact OD2-CE 3.22Å; D173-K176 WeakPolarHBondContact OD2-CG 3.27Å; D173-K176 IonicContact OD2-NZ 2.7Å; E174-K176 VanDerWaalsContact C-N 3.33Å; E174-K176 PolarHBondContact O-N 3.28Å; K176-I178 HydrophobicContact CB-CB 4.42Å; K176-I178 HydrophobicContact CB-CD1 3.78Å; K176-I178 HydrophobicContact CB-CG1 4.06Å; K176-I178 HydrophobicContact CD-CD1 4.36Å; K176-Y180 WeakPolarHBondContact CD-OH 3.43Å; K176-Y180 PolarHBondContact NZ-OH 3.43Å
177Q93Very high85Confident66 Ų6656.9 Ų56.931%0.30829%0.285SS..THydrogen-bonded Turntrans53.255.2-170.6-54.4179.652.300111.3N155 R156 D173 E174N155-Q177 CarbonylContact C-O 3.57Å; N155-Q177 WeakPolarHBondContact CA-O 3.23Å; N155-Q177 WeakPolarHBondContact CB-O 3.42Å; N155-Q177 PolarHBondContact N-O 3.02Å; R156-Q177 HydrophobicContact CG-CB 4.1Å; D173-Q177 VanDerWaalsContact O-CA 3.23Å; D173-Q177 WeakPolarHBondContact O-CA 3.28Å; D173-Q177 PolarHBondContact O-N 2.89Å; E174-Q177 WeakPolarHBondContact O-CG 3.45Å; E174-Q177 PolarHBondContact O-N 2.71Å
178I94Very high85.2Confident2 Ų257.9 Ų57.91%0.0129%0.291CS..EExtended strand (participates in β ladder)trans-128.2135.3-178.1-68.1169.3000110.1Y108 Y172 D173 K176 Y180Y108-I178 WeakPolarHBondContact O-CG2 3.24Å; Y172-I178 WeakPolarHBondContact CD2-O 3.23Å; D173-I178 PolarHBondContact N-O 3.48Å; D173-I178 PolarHBondContact O-N 3.2Å; D173-I178 VanDerWaalsContact O-N 3.11Å; K176-I178 HydrophobicContact CB-CB 4.42Å; K176-I178 HydrophobicContact CB-CD1 3.78Å; K176-I178 HydrophobicContact CB-CG1 4.06Å; K176-I178 HydrophobicContact CD-CD1 4.36Å; I178-Y180 HydrophobicContact CB-CE1 4.41Å; I178-Y180 HydrophobicContact CB-CE2 4.29Å; I178-Y180 HydrophobicContact CD1-CE1 4.49Å; I178-Y180 HydrophobicContact CG2-CD1 3.69Å; I178-Y180 HydrophobicContact CG2-CD2 4.08Å; I178-Y180 HydrophobicContact CG2-CE1 3.49Å; I178-Y180 VanDerWaalsContact CG2-CE1 3.49Å; I178-Y180 HydrophobicContact CG2-CE2 3.96Å; I178-Y180 HydrophobicContact CG2-CG 3.97Å
179C94.1Very high85.8Confident0 Ų048.2 Ų48.20%025%0.249CC..EExtended strand (participates in β ladder)trans-98.7105.7165.4-69.40000108.8G153 L160 Y172G153-C179 PolarHBondContact N-O 2.82Å; G153-C179 PolarHBondContact O-N 2.84Å; L160-C179 HydrophobicContact CD1-CB 3.89Å; Y172-C179 VanDerWaalsContact CD2-SG 3.57Å
180Y94.4Very high85.9Confident27 Ų2748.2 Ų48.211%0.10625%0.252CS..EExtended strand (participates in β ladder)trans-76.6-28.1-176.4-71.4-69.6000113.5G112 K113 I116 H171 D173 K176 I178G112-Y180 CarbonylContact C-O 3.53Å; G112-Y180 WeakPolarHBondContact CA-O 3.36Å; K113-Y180 CarbonylContact C-O 3.07Å; K113-Y180 PolarHBondContact N-O 3.05Å; I116-Y180 HydrophobicContact CG2-CD1 4.39Å; I116-Y180 HydrophobicContact CG2-CE1 3.56Å; H171-Y180 PolarHBondContact O-N 2.71Å; D173-Y180 HydrophobicContact CB-CD2 4.3Å; D173-Y180 HydrophobicContact CB-CE2 3.7Å; K176-Y180 WeakPolarHBondContact CD-OH 3.43Å; K176-Y180 PolarHBondContact NZ-OH 3.43Å; I178-Y180 HydrophobicContact CB-CE1 4.41Å; I178-Y180 HydrophobicContact CB-CE2 4.29Å; I178-Y180 HydrophobicContact CD1-CE1 4.49Å; I178-Y180 HydrophobicContact CG2-CD1 3.69Å; I178-Y180 HydrophobicContact CG2-CD2 4.08Å; I178-Y180 HydrophobicContact CG2-CE1 3.49Å; I178-Y180 VanDerWaalsContact CG2-CE1 3.49Å; I178-Y180 HydrophobicContact CG2-CE2 3.96Å; I178-Y180 HydrophobicContact CG2-CG 3.97Å
181R94.3Very high85.5Confident76 Ų7645.1 Ų45.129%0.28724%0.241SC..EExtended strand (participates in β ladder)trans-111.5160.6174.2-72.5-155.9174.695.28.3110.7E114 W152 H171 T183E114-R181 HydrophobicContact CG-CG 4.43Å; E114-R181 VanDerWaalsContact CG-CZ 3.45Å; E114-R181 IonicContact OE1-CZ 2.75Å; E114-R181 IonicContact OE1-NH1 3.09Å; E114-R181 PolarHBondContact OE1-NH1 2.61Å; E114-R181 IonicContact OE1-NH2 2.74Å; E114-R181 PolarHBondContact OE1-NH2 2.88Å; E114-R181 IonicContact OE2-CZ 2.82Å; E114-R181 IonicContact OE2-NH1 2.9Å; E114-R181 IonicContact OE2-NH2 3.27Å; E114-R181 PolarHBondContact OE2-NH2 3.27Å; W152-R181 WeakPolarHBondContact CB-O 3.19Å; H171-R181 HydrophobicContact CB-CB 4.03Å; H171-R181 HydrophobicContact CB-CG 4.45Å; H171-R181 PolarHBondContact CE1-NH1 3.25Å; H171-R181 PolarHBondContact NE2-NH1 2.81Å; R181-T183 PolarHBondContact O-N 2.88Å; R181-T183 VanDerWaalsContact O-N 3.1Å; R181-T183 PolarHBondContact O-OG1 3.16Å
182P95.1Very high84.7Confident21 Ų2148.2 Ų48.214%0.13627%0.265CS..EExtended strand (participates in β ladder)trans-50.2117.3167.2-26.635.5000111.7I125 I127 F150 W152I125-P182 HydrophobicContact CG2-CG 3.51Å; I127-P182 HydrophobicContact CB-CB 4.38Å; I127-P182 HydrophobicContact CB-CG 4.15Å; I127-P182 HydrophobicContact CD1-CB 3.81Å; I127-P182 HydrophobicContact CD1-CG 4.2Å; I127-P182 HydrophobicContact CG1-CB 4.14Å; I127-P182 HydrophobicContact CG1-CG 4.43Å; F150-P182 HydrophobicContact CB-CB 4.46Å; F150-P182 HydrophobicContact CD1-CB 3.93Å; W152-P182 HydrophobicContact CD2-CG 4.2Å; W152-P182 HydrophobicContact CE3-CB 3.77Å; W152-P182 HydrophobicContact CE3-CG 3.78Å; W152-P182 HydrophobicContact CZ3-CB 4.14Å; W152-P182 HydrophobicContact CZ3-CG 4.1Å
183T92.7Very high83.7Confident10 Ų1049 Ų496%0.06127%0.269CS..EExtended strand (participates in β ladder)trans-107.6129.8178.6-62.30000109.1F150 G151 V162 A169 R181 L185F150-T183 CarbonylContact C-O 3.21Å; F150-T183 VanDerWaalsContact CA-O 3.25Å; F150-T183 WeakPolarHBondContact CA-O 3.5Å; G151-T183 PolarHBondContact N-O 2.98Å; G151-T183 PolarHBondContact O-N 2.93Å; V162-T183 HydrophobicContact CG2-CG2 4.04Å; A169-T183 HydrophobicContact CB-CG2 3.66Å; R181-T183 PolarHBondContact O-N 2.88Å; R181-T183 VanDerWaalsContact O-N 3.1Å; R181-T183 PolarHBondContact O-OG1 3.16Å; T183-L185 HydrophobicContact CG2-CD2 4.35Å; T183-L185 WeakPolarHBondContact O-CD2 3.18Å; T183-L185 PolarHBondContact O-N 2.79Å
184L91.4Very high83.5Confident67 Ų6751.6 Ų51.635%0.35128%0.28SS..EExtended strand (participates in β ladder)trans-66.4130175.1-178.666.9000110.1K148 F150 N186K148-L184 HydrophobicContact CB-CD1 3.81Å; K148-L184 HydrophobicContact CD-CD1 4.01Å; K148-L184 HydrophobicContact CG-CD1 4.32Å; F150-L184 HydrophobicContact CD1-CB 4.31Å; F150-L184 HydrophobicContact CD2-CD1 4.21Å; F150-L184 HydrophobicContact CE1-CB 3.9Å; F150-L184 HydrophobicContact CE1-CD1 4.36Å; F150-L184 HydrophobicContact CE2-CD1 3.77Å; F150-L184 HydrophobicContact CZ-CB 4.16Å; F150-L184 HydrophobicContact CZ-CD1 3.86Å; L184-N186 HydrophobicContact CD1-CB 4.1Å; L184-N186 HydrophobicContact CG-CB 4.24Å
185L90.1Very high83.8Confident2 Ų246.7 Ų46.71%0.0126%0.257CS..  trans-107.1-9.5-176.4-52.9-172.8000113.4L149 L160 V162 T183 S187 V188 L189 F217L149-L185 HydrophobicContact CB-CB 4.48Å; L149-L185 HydrophobicContact CD2-CB 4.05Å; L149-L185 HydrophobicContact CD2-CD1 4.19Å; L149-L185 HydrophobicContact CG-CB 4.22Å; L149-L185 HydrophobicContact CG-CD1 4.24Å; L149-L185 PolarHBondContact O-N 3.37Å; L160-L185 WeakPolarHBondContact O-CD1 3.37Å; L160-L185 VanDerWaalsContact O-CD2 3.24Å; L160-L185 WeakPolarHBondContact O-CD2 3.45Å; V162-L185 HydrophobicContact CG2-CD2 3.59Å; T183-L185 HydrophobicContact CG2-CD2 4.35Å; T183-L185 WeakPolarHBondContact O-CD2 3.18Å; T183-L185 PolarHBondContact O-N 2.79Å; L185-S187 VanDerWaalsContact C-N 3.34Å; L185-S187 PolarHBondContact O-N 2.87Å; L185-V188 PolarHBondContact O-N 2.91Å; L185-L189 PolarHBondContact O-N 2.89Å; L185-F217 HydrophobicContact CD1-CE2 4.18Å; L185-F217 HydrophobicContact CD1-CZ 4.34Å
186N81.1Confident84Confident11 Ų1142.6 Ų42.66%0.05923%0.228CC..Hα-helixtrans-54-44.5-176.5-79.453.4000113.7L149 L184 V188 L189 G190 D191L149-N186 PolarHBondContact N-OD1 2.91Å; L149-N186 PolarHBondContact O-OD1 2.82Å; L184-N186 HydrophobicContact CD1-CB 4.1Å; L184-N186 HydrophobicContact CG-CB 4.24Å; N186-V188 PolarHBondContact O-N 2.99Å; N186-V188 VanDerWaalsContact O-N 3.11Å; N186-L189 CarbonylContact O-C 3.54Å; N186-L189 PolarHBondContact O-N 2.91Å; N186-G190 CarbonylContact O-C 3.51Å; N186-G190 WeakPolarHBondContact O-CA 3.43Å; N186-G190 PolarHBondContact O-N 2.98Å; N186-D191 VanDerWaalsContact C-OD1 3.3Å; N186-D191 PolarHBondContact O-N 2.81Å
187S70.8Confident84.3Confident61 Ų6138.9 Ų38.943%0.42721%0.213SC..Hα-helixtrans-58.4-31.4-173.946.10000113.2N167 L185 D191N167-S187 PolarHBondContact OD1-OG 2.94Å; N167-S187 VanDerWaalsContact OD1-OG 3.11Å; L185-S187 VanDerWaalsContact C-N 3.34Å; L185-S187 PolarHBondContact O-N 2.87Å; S187-D191 WeakPolarHBondContact CA-OD1 3.48Å; S187-D191 PolarHBondContact N-OD1 2.93Å; S187-D191 VanDerWaalsContact N-OD1 3.11Å
188V68.6Low84.5Confident29 Ų2936 Ų3618%0.17620%0.2CC..Hα-helixtrans-91.2-21.2-178.7-148.60000112.5F161 L166 N167 L185 N186F161-V188 HydrophobicContact CD1-CB 3.8Å; F161-V188 HydrophobicContact CD1-CG1 3.45Å; F161-V188 VanDerWaalsContact CD1-CG1 3.45Å; F161-V188 HydrophobicContact CE1-CB 4Å; F161-V188 HydrophobicContact CE1-CG1 3.25Å; F161-V188 HydrophobicContact CZ-CG1 4.17Å; L166-V188 HydrophobicContact CB-CG1 4.06Å; L166-V188 HydrophobicContact CB-CG2 4.35Å; L166-V188 HydrophobicContact CD1-CG1 3.65Å; L166-V188 HydrophobicContact CG-CG1 4.38Å; N167-V188 VanDerWaalsContact CG-CG2 3.47Å; N167-V188 VanDerWaalsContact ND2-CG2 3.34Å; N167-V188 WeakPolarHBondContact ND2-CG2 3.4Å; N167-V188 WeakPolarHBondContact OD1-CG2 3.15Å; L185-V188 PolarHBondContact O-N 2.91Å; N186-V188 PolarHBondContact O-N 2.99Å; N186-V188 VanDerWaalsContact O-N 3.11Å
189L77.3Confident84.7Confident7 Ų736 Ų364%0.03720%0.201CC..Hα-helixtrans-102.53.7179.3-56.2-177.6000112.7L149 F161 L185 N186 H193 W195 F217 P243 W245L149-L189 HydrophobicContact CD2-CD1 3.44Å; L149-L189 VanDerWaalsContact CD2-CD1 3.44Å; F161-L189 HydrophobicContact CD1-CD2 3.68Å; F161-L189 HydrophobicContact CE1-CD2 4.2Å; L185-L189 PolarHBondContact O-N 2.89Å; N186-L189 CarbonylContact O-C 3.54Å; N186-L189 PolarHBondContact O-N 2.91Å; L189-H193 PolarHBondContact O-CE1 2.94Å; L189-H193 PolarHBondContact O-ND1 3.07Å; L189-W195 HydrophobicContact CB-CH2 4.16Å; L189-W195 HydrophobicContact CB-CZ2 3.67Å; L189-W195 HydrophobicContact CD1-CH2 4.18Å; L189-W195 HydrophobicContact CD1-CZ2 4.01Å; L189-F217 HydrophobicContact CD1-CD1 4.04Å; L189-F217 HydrophobicContact CD1-CE1 3.74Å; L189-F217 HydrophobicContact CD1-CZ 4.23Å; L189-F217 HydrophobicContact CD2-CD1 4.26Å; L189-P243 HydrophobicContact CD2-CB 3.87Å; L189-P243 HydrophobicContact CD2-CG 3.16Å; L189-W245 VanDerWaalsContact O-CZ2 3.3Å; L189-W245 WeakPolarHBondContact O-CZ2 3.11Å
190G68.4Low84.9Confident28 Ų2836.4 Ų36.429%0.28920%0.203SC..  trans90.7116-174.300000112.4N186 T192 H193N186-G190 CarbonylContact O-C 3.51Å; N186-G190 WeakPolarHBondContact O-CA 3.43Å; N186-G190 PolarHBondContact O-N 2.98Å; G190-T192 PolarHBondContact O-N 2.96Å; G190-T192 VanDerWaalsContact O-N 3.14Å; G190-H193 PolarHBondContact O-ND1 3.43Å
191D61Low85.1Confident111 Ų11135.2 Ų35.259%0.59420%0.199SC*.THydrogen-bonded Turntrans-65.6-15.1-173.6-73.4-39.4000115.2N186 S187 H193N186-D191 VanDerWaalsContact C-OD1 3.3Å; N186-D191 PolarHBondContact O-N 2.81Å; S187-D191 WeakPolarHBondContact CA-OD1 3.48Å; S187-D191 PolarHBondContact N-OD1 2.93Å; S187-D191 VanDerWaalsContact N-OD1 3.11Å; D191-H193 VanDerWaalsContact C-N 3.31Å; D191-H193 PolarHBondContact O-N 2.9Å
192T62.7Low85.3Confident129 Ų12931.8 Ų31.879%0.79119%0.187SC*.THydrogen-bonded Turntrans-84.1-4.3-174.155.30000113.9G190G190-T192 PolarHBondContact O-N 2.96Å; G190-T192 VanDerWaalsContact O-N 3.14Å
193H67.6Low85.3Confident42 Ų4235.3 Ų35.319%0.19420%0.198CC..  trans-88.8119.5-176.2-57.7103.3000111.5L189 G190 D191 W195 T209 W245L189-H193 PolarHBondContact O-CE1 2.94Å; L189-H193 PolarHBondContact O-ND1 3.07Å; G190-H193 PolarHBondContact O-ND1 3.43Å; D191-H193 VanDerWaalsContact C-N 3.31Å; D191-H193 PolarHBondContact O-N 2.9Å; H193-W195 HydrophobicContact CB-CD2 4.35Å; H193-W195 HydrophobicContact CB-CH2 4.43Å; H193-W195 HydrophobicContact CB-CZ2 3.84Å; H193-W195 VanDerWaalsContact O-CD1 3.31Å; H193-W195 PolarHBondContact O-N 3.42Å; H193-W195 PolarHBondContact O-NE1 2.91Å; H193-T209 HydrophobicContact CB-CG2 3.95Å; H193-W245 AromaticContact CE1-CH2 3.61Å; H193-W245 AromaticContact ND1-CH2 3.86Å; H193-W245 AromaticContact NE2-CH2 3.79Å
194E85.8Confident85.5Confident92 Ų9235 Ų3543%0.4320%0.196SC..  trans-78.298.4164-67.9-177.2142.900109.1T209 R210E194-T209 CarbonylContact O-C 3.55Å; E194-R210 HydrophobicContact CB-CB 4.11Å; E194-R210 PolarHBondContact O-N 3.28Å; E194-R210 IonicContact OE1-NH2 2.64Å; E194-R210 PolarHBondContact OE1-NH2 3.29Å; E194-R210 IonicContact OE2-CZ 3.69Å; E194-R210 IonicContact OE2-NE 3.99Å; E194-R210 PolarHBondContact OE2-NE 3.2Å; E194-R210 IonicContact OE2-NH2 3.9Å; E194-R210 PolarHBondContact OE2-NH2 3.32Å
195W94.7Very high85.8Confident0 Ų031.8 Ų31.80%018%0.18CC..EExtended strand (participates in β ladder)trans-70138177.4-58100.4000110.3R131 V143 G147 L149 L189 H193 A207 R208 T209 A215 W245R131-W195 PolarHBondContact NH2-O 2.82Å; V143-W195 VanDerWaalsContact CG1-C 3.47Å; V143-W195 HydrophobicContact CG1-CB 3.9Å; V143-W195 WeakPolarHBondContact CG1-O 3.35Å; V143-W195 HydrophobicContact CG2-CB 3.9Å; G147-W195 WeakPolarHBondContact CA-O 3.33Å; G147-W195 PolarHBondContact O-N 2.88Å; L149-W195 HydrophobicContact CB-CB 4.39Å; L149-W195 HydrophobicContact CB-CD2 4.24Å; L149-W195 HydrophobicContact CB-CG 3.8Å; L149-W195 HydrophobicContact CD2-CD2 4.43Å; L189-W195 HydrophobicContact CB-CH2 4.16Å; L189-W195 HydrophobicContact CB-CZ2 3.67Å; L189-W195 HydrophobicContact CD1-CH2 4.18Å; L189-W195 HydrophobicContact CD1-CZ2 4.01Å; H193-W195 HydrophobicContact CB-CD2 4.35Å; H193-W195 HydrophobicContact CB-CH2 4.43Å; H193-W195 HydrophobicContact CB-CZ2 3.84Å; H193-W195 VanDerWaalsContact O-CD1 3.31Å; H193-W195 PolarHBondContact O-N 3.42Å; H193-W195 PolarHBondContact O-NE1 2.91Å; W195-A207 HydrophobicContact CD2-CB 4.24Å; W195-A207 HydrophobicContact CE3-CB 3.43Å; W195-A207 VanDerWaalsContact CE3-CB 3.43Å; W195-A207 HydrophobicContact CH2-CB 4.36Å; W195-A207 HydrophobicContact CZ3-CB 3.5Å; W195-R208 CarbonylContact C-O 3.58Å; W195-R208 WeakPolarHBondContact CA-O 3.25Å; W195-T209 HydrophobicContact CE3-CG2 3.9Å; W195-T209 HydrophobicContact CH2-CG2 4.13Å; W195-T209 HydrophobicContact CZ3-CG2 3.63Å; W195-A215 HydrophobicContact CH2-CB 3.76Å; W195-A215 HydrophobicContact CZ3-CB 3.98Å; W195-W245 AromaticContact CH2-CH2 3.57Å; W195-W245 HydrophobicContact CH2-CH2 3.57Å; W195-W245 HydrophobicContact CH2-CZ2 4.35Å; W195-W245 HydrophobicContact CH2-CZ3 4.17Å; W195-W245 HydrophobicContact CZ2-CH2 4.28Å; W195-W245 HydrophobicContact CZ3-CH2 4.38Å
196V95.6Very high86.1Confident18 Ų1831.7 Ų31.711%0.10918%0.179CC..EExtended strand (participates in β ladder)trans-121.2-23.5-175.7-64.90000115.2R131 R208 T209 R210R131-V196 VanDerWaalsContact CZ-CA 3.49Å; R131-V196 PolarHBondContact NE-O 3.34Å; V196-R208 HydrophobicContact CG2-CB 4.26Å; V196-R208 HydrophobicContact CG2-CG 4.03Å; V196-R208 WeakPolarHBondContact CG2-O 3.3Å; V196-R208 PolarHBondContact N-O 2.61Å; V196-T209 WeakPolarHBondContact CG2-O 2.94Å; V196-R210 HydrophobicContact CG1-CB 3.73Å; V196-R210 HydrophobicContact CG1-CG 4.28Å
197D97Very high86.9Confident18 Ų1831.2 Ų31.210%0.09618%0.176CC..EExtended strand (participates in β ladder)trans-155.8160.2179.9-159.615.7000110.7K83 S132 A207 R208 V259K83-D197 IonicContact NZ-OD1 3.52Å; S132-D197 WeakPolarHBondContact CB-OD1 3.37Å; S132-D197 PolarHBondContact OG-OD1 3.41Å; D197-A207 WeakPolarHBondContact O-CA 3.31Å; D197-R208 HydrophobicContact CB-CB 4.2Å; D197-R208 PolarHBondContact O-N 2.88Å; D197-V259 HydrophobicContact CB-CG1 4.35Å
198C98Very high88Confident5 Ų529.5 Ų29.53%0.03416%0.161CC..EExtended strand (participates in β ladder)trans-150.9151.3178.4600000112V141 V143 L149 V206V141-C198 HydrophobicContact CB-CB 4.47Å; V141-C198 HydrophobicContact CG2-CB 3.87Å; V143-C198 HydrophobicContact CG2-CB 3.92Å; L149-C198 HydrophobicContact CD1-CB 4.29Å; C198-V206 CarbonylContact C-O 3.56Å; C198-V206 WeakPolarHBondContact CA-O 3.4Å
199A98.6Very high89.3Confident3 Ų328.1 Ų28.13%0.02515%0.152CC..EExtended strand (participates in β ladder)trans-137.1147.7173.200000110.2S205 V206 V259 C261A199-S205 WeakPolarHBondContact O-CA 3.26Å; A199-V206 PolarHBondContact N-O 3.37Å; A199-V206 PolarHBondContact O-N 3.04Å; A199-V259 HydrophobicContact CB-CG1 4.16Å; A199-V259 HydrophobicContact CB-CG2 4.02Å; A199-C261 HydrophobicContact CB-CB 4.24Å; A199-C261 VanDerWaalsContact CB-SG 3.56Å
200A98.6Very high89.9Confident7 Ų735.1 Ų35.16%0.05818%0.178CC..EExtended strand (participates in β ladder)trans-121.8127.4178.400000110.1S134 G136 V141S134-A200 PolarHBondContact OG-N 3.34Å; G136-A200 VanDerWaalsContact N-CB 3.32Å; V141-A200 HydrophobicContact CG2-CB 4.11Å
201G98.2Very high91Very high2 Ų238.6 Ų38.62%0.02119%0.194CC..  trans-92.6-157.2169.100000112.1G136 L137 H139 H204 G262G136-G201 WeakPolarHBondContact CA-O 3.25Å; L137-G201 PolarHBondContact N-O 3.43Å; H139-G201 PolarHBondContact CE1-O 3.26Å; G201-H204 PolarHBondContact N-O 2.93Å; G201-G262 WeakPolarHBondContact CA-O 3.46Å
202A97.5Very high92.4Very high4 Ų434.1 Ų34.13%0.03317%0.17CC..SBendtrans-65.8-45.2178.800000111.7L137 W263L137-A202 HydrophobicContact CB-CB 4.44Å; L137-A202 VanDerWaalsContact CB-O 3.26Å; L137-A202 WeakPolarHBondContact CB-O 3.46Å; A202-W263 HydrophobicContact CB-CB 3.81Å; A202-W263 HydrophobicContact CB-CD2 4.38Å; A202-W263 HydrophobicContact CB-CG 3.8Å; A202-W263 WeakPolarHBondContact CB-O 3.34Å; A202-W263 PolarHBondContact N-O 2.9Å
203Y96.3Very high93.8Very high95 Ų9531.5 Ų31.537%0.37315%0.148SC..SBendtrans-142.613.4-172.8-54.1-62.9000113.4L137 R157 Q159 D219L137-Y203 HydrophobicContact CD2-CE1 3.62Å; L137-Y203 WeakPolarHBondContact CD2-OH 3.3Å; R157-Y203 VanDerWaalsContact CD-CD1 3.43Å; R157-Y203 VanDerWaalsContact CD-CG 3.42Å; R157-Y203 HydrophobicContact CG-CD1 4.41Å; Q159-Y203 WeakPolarHBondContact CB-O 3.3Å; Y203-D219 WeakPolarHBondContact O-CB 3.26Å; Y203-D219 PolarHBondContact O-N 3.34Å
204H96.4Very high95.1Very high4 Ų429.5 Ų29.52%0.01914%0.138CC..EExtended strand (participates in β ladder)trans-132.4163175.969.5-83.1000109G201 F217 F223 C261 W263G201-H204 PolarHBondContact N-O 2.93Å; H204-F217 CarbonylContact C-O 3.57Å; H204-F217 VanDerWaalsContact CA-O 3.3Å; H204-F217 WeakPolarHBondContact CA-O 3.41Å; H204-F223 HydrophobicContact CB-CE2 4.22Å; H204-F223 AromaticContact CD2-CE2 3.97Å; H204-F223 AromaticContact CD2-CZ 3.97Å; H204-F223 AromaticContact CE1-CZ 3.85Å; H204-F223 AromaticContact CG-CE2 3.78Å; H204-F223 AromaticContact ND1-CE2 3.89Å; H204-F223 AromaticContact NE2-CZ 3.79Å; H204-C261 PolarHBondContact NE2-SG 3.06Å; H204-C261 VanDerWaalsContact NE2-SG 3.39Å; H204-W263 PolarHBondContact CE1-O 3.48Å; H204-W263 PolarHBondContact ND1-O 2.86Å
205S97.8Very high95.5Very high0 Ų025.1 Ų25.10%012%0.118CC..EExtended strand (participates in β ladder)trans-136.7148.1175.8-58.50000108.8H139 V141 Q159 A199 L216 F217H139-S205 PolarHBondContact NE2-OG 2.81Å; V141-S205 WeakPolarHBondContact CG1-OG 3.45Å; Q159-S205 WeakPolarHBondContact O-CB 3.35Å; Q159-S205 PolarHBondContact O-OG 2.85Å; A199-S205 WeakPolarHBondContact O-CA 3.26Å; S205-L216 WeakPolarHBondContact O-CA 3.39Å; S205-F217 PolarHBondContact N-O 2.81Å; S205-F217 PolarHBondContact O-N 3.49Å
206V97Very high95.5Very high0 Ų025.1 Ų25.10%012%0.118CC..EExtended strand (participates in β ladder)trans-125.9133.8175.4-172.90000108.4C198 A199 L214 A215 L216 V259 V266C198-V206 CarbonylContact C-O 3.56Å; C198-V206 WeakPolarHBondContact CA-O 3.4Å; A199-V206 PolarHBondContact N-O 3.37Å; A199-V206 PolarHBondContact O-N 3.04Å; V206-L214 HydrophobicContact CG1-CB 4.22Å; V206-L214 HydrophobicContact CG1-CD2 4.42Å; V206-A215 CarbonylContact C-O 3.39Å; V206-A215 VanDerWaalsContact CA-O 3.28Å; V206-A215 WeakPolarHBondContact CA-O 3.25Å; V206-L216 HydrophobicContact CG2-CB 4.29Å; V206-L216 HydrophobicContact CG2-CD1 3.97Å; V206-L216 HydrophobicContact CG2-CG 4.07Å; V206-V259 HydrophobicContact CB-CG2 4.09Å; V206-V259 HydrophobicContact CG1-CG2 3.84Å; V206-V266 HydrophobicContact CG2-CG1 4.28Å; V206-V266 HydrophobicContact CG2-CG2 3.88Å
207A96.1Very high95.4Very high0 Ų024.2 Ų24.20%011%0.113CC..EExtended strand (participates in β ladder)trans-125.6141.5173.800000110L149 W195 D197 L214 A215 F217L149-A207 HydrophobicContact CD1-CB 3.86Å; L149-A207 HydrophobicContact CD2-CB 3.74Å; L149-A207 HydrophobicContact CG-CB 4.47Å; W195-A207 HydrophobicContact CD2-CB 4.24Å; W195-A207 HydrophobicContact CE3-CB 3.43Å; W195-A207 VanDerWaalsContact CE3-CB 3.43Å; W195-A207 HydrophobicContact CH2-CB 4.36Å; W195-A207 HydrophobicContact CZ3-CB 3.5Å; D197-A207 WeakPolarHBondContact O-CA 3.31Å; A207-L214 CarbonylContact O-C 3.56Å; A207-L214 WeakPolarHBondContact O-CA 3.48Å; A207-A215 PolarHBondContact N-O 2.78Å; A207-A215 PolarHBondContact O-N 3.49Å; A207-F217 HydrophobicContact CB-CE1 4.21Å
208R95.6Very high95.2Very high25 Ų2523.4 Ų23.49%0.09411%0.109CC..EExtended strand (participates in β ladder)trans-110.4135.7-178.5-175.1171.667.988.8-4.4110.9W195 V196 D197 K213 L214 V256 E257W195-R208 CarbonylContact C-O 3.58Å; W195-R208 WeakPolarHBondContact CA-O 3.25Å; V196-R208 HydrophobicContact CG2-CB 4.26Å; V196-R208 HydrophobicContact CG2-CG 4.03Å; V196-R208 WeakPolarHBondContact CG2-O 3.3Å; V196-R208 PolarHBondContact N-O 2.61Å; D197-R208 HydrophobicContact CB-CB 4.2Å; D197-R208 PolarHBondContact O-N 2.88Å; R208-K213 WeakPolarHBondContact CA-O 3.38Å; R208-L214 HydrophobicContact CB-CD2 3.5Å; R208-L214 VanDerWaalsContact CB-CD2 3.5Å; R208-L214 HydrophobicContact CG-CD2 3.54Å; R208-V256 WeakPolarHBondContact CD-O 3.47Å; R208-V256 PolarHBondContact NE-O 3.04Å; R208-V256 PolarHBondContact NH1-O 3.2Å; R208-E257 PolarHBondContact NH2-O 3.24Å
209T94.4Very high94.9Very high0 Ų024.4 Ų24.40%011%0.114CC..EExtended strand (participates in β ladder)trans-89.7160.1175.675.10000111.6H193 E194 W195 V196 T211 N212 K213 W245H193-T209 HydrophobicContact CB-CG2 3.95Å; E194-T209 CarbonylContact O-C 3.55Å; W195-T209 HydrophobicContact CE3-CG2 3.9Å; W195-T209 HydrophobicContact CH2-CG2 4.13Å; W195-T209 HydrophobicContact CZ3-CG2 3.63Å; V196-T209 WeakPolarHBondContact CG2-O 2.94Å; T209-T211 PolarHBondContact O-N 2.8Å; T209-T211 PolarHBondContact OG1-N 3.33Å; T209-T211 PolarHBondContact OG1-OG1 3.14Å; T209-N212 PolarHBondContact O-N 2.84Å; T209-N212 VanDerWaalsContact O-N 3.17Å; T209-N212 PolarHBondContact OG1-N 2.64Å; T209-K213 HydrophobicContact CG2-CB 4.15Å; T209-K213 PolarHBondContact N-O 3.4Å; T209-K213 PolarHBondContact OG1-N 2.72Å; T209-K213 PolarHBondContact OG1-O 3.05Å; T209-W245 HydrophobicContact CG2-CH2 4.49Å; T209-W245 HydrophobicContact CG2-CZ3 4.03Å
210R91.6Very high94.5Very high155 Ų15525.1 Ų25.159%0.58512%0.118SC*.THydrogen-bonded Turntrans-60.7-28170.7-171.6122.674.4147.1-0.1112.3E194 V196 N212E194-R210 HydrophobicContact CB-CB 4.11Å; E194-R210 PolarHBondContact O-N 3.28Å; E194-R210 IonicContact OE1-NH2 2.64Å; E194-R210 PolarHBondContact OE1-NH2 3.29Å; E194-R210 IonicContact OE2-CZ 3.69Å; E194-R210 IonicContact OE2-NE 3.99Å; E194-R210 PolarHBondContact OE2-NE 3.2Å; E194-R210 IonicContact OE2-NH2 3.9Å; E194-R210 PolarHBondContact OE2-NH2 3.32Å; V196-R210 HydrophobicContact CG1-CB 3.73Å; V196-R210 HydrophobicContact CG1-CG 4.28Å; R210-N212 PolarHBondContact O-N 2.69Å
211T90Very high93.9Very high101 Ų10131.1 Ų31.162%0.6214%0.139SC*.THydrogen-bonded Turntrans-8416.7176.854.60000113.9T209 K213T209-T211 PolarHBondContact O-N 2.8Å; T209-T211 PolarHBondContact OG1-N 3.33Å; T209-T211 PolarHBondContact OG1-OG1 3.14Å; T211-K213 VanDerWaalsContact C-N 3.31Å; T211-K213 PolarHBondContact O-N 2.98Å
212N90.5Very high93.4Very high17 Ų1732.2 Ų32.29%0.09114%0.143CC..SBendtrans67.822.7173.8-155.843.1000115.8T209 R210 A248 N254 K255 V256T209-N212 PolarHBondContact O-N 2.84Å; T209-N212 VanDerWaalsContact O-N 3.17Å; T209-N212 PolarHBondContact OG1-N 2.64Å; R210-N212 PolarHBondContact O-N 2.69Å; N212-A248 HydrophobicContact CB-CB 4.37Å; N212-A248 VanDerWaalsContact ND2-CB 3.33Å; N212-A248 WeakPolarHBondContact ND2-CB 3.09Å; N212-N254 PolarHBondContact ND2-O 2.98Å; N212-K255 WeakPolarHBondContact ND2-CA 3.37Å; N212-K255 WeakPolarHBondContact OD1-CA 3.5Å; N212-V256 WeakPolarHBondContact OD1-CB 3.37Å; N212-V256 PolarHBondContact OD1-N 2.95Å
213K92.7Very high93.1Very high73 Ų7332.2 Ų32.232%0.31714%0.142SC..  trans-94.1151.3170.1-58.1-169.4178-128.70110.5R208 T209 T211 W245 Y246 D247R208-K213 WeakPolarHBondContact CA-O 3.38Å; T209-K213 HydrophobicContact CG2-CB 4.15Å; T209-K213 PolarHBondContact N-O 3.4Å; T209-K213 PolarHBondContact OG1-N 2.72Å; T209-K213 PolarHBondContact OG1-O 3.05Å; T211-K213 VanDerWaalsContact C-N 3.31Å; T211-K213 PolarHBondContact O-N 2.98Å; K213-W245 HydrophobicContact CB-CE3 4.07Å; K213-W245 HydrophobicContact CB-CZ3 4.07Å; K213-W245 HydrophobicContact CD-CE3 4.4Å; K213-Y246 WeakPolarHBondContact CA-O 3.49Å; K213-D247 WeakPolarHBondContact CD-OD1 3.26Å; K213-D247 VanDerWaalsContact CE-OD1 3.23Å; K213-D247 WeakPolarHBondContact CE-OD1 3.35Å; K213-D247 IonicContact NZ-OD1 3.81Å; K213-D247 PolarHBondContact NZ-OD1 2.75Å
214L94.5Very high92.4Very high0 Ų029.7 Ų29.70%013%0.133CC..EExtended strand (participates in β ladder)trans-115137.1169.4-54.3170.9000109.9V206 A207 R208 W245 Y246 F251 V256 V268 W278V206-L214 HydrophobicContact CG1-CB 4.22Å; V206-L214 HydrophobicContact CG1-CD2 4.42Å; A207-L214 CarbonylContact O-C 3.56Å; A207-L214 WeakPolarHBondContact O-CA 3.48Å; R208-L214 HydrophobicContact CB-CD2 3.5Å; R208-L214 VanDerWaalsContact CB-CD2 3.5Å; R208-L214 HydrophobicContact CG-CD2 3.54Å; L214-W245 CarbonylContact O-C 3.58Å; L214-W245 WeakPolarHBondContact O-CA 3.47Å; L214-Y246 HydrophobicContact CB-CD2 4.29Å; L214-Y246 PolarHBondContact N-O 3.45Å; L214-Y246 PolarHBondContact O-N 3.03Å; L214-F251 HydrophobicContact CD1-CE1 4.42Å; L214-F251 HydrophobicContact CD1-CE2 3.79Å; L214-F251 HydrophobicContact CD1-CZ 3.52Å; L214-F251 HydrophobicContact CG-CE2 4.36Å; L214-V256 HydrophobicContact CD2-CG1 4.43Å; L214-V268 HydrophobicContact CD1-CG1 3.74Å; L214-W278 HydrophobicContact CD1-CH2 3.93Å
215A93.9Very high90.7Very high0 Ų032.7 Ų32.70%015%0.149CC..EExtended strand (participates in β ladder)trans-111.7125.9168.900000109.1W195 V206 A207 I244 W245W195-A215 HydrophobicContact CH2-CB 3.76Å; W195-A215 HydrophobicContact CZ3-CB 3.98Å; V206-A215 CarbonylContact C-O 3.39Å; V206-A215 VanDerWaalsContact CA-O 3.28Å; V206-A215 WeakPolarHBondContact CA-O 3.25Å; A207-A215 PolarHBondContact N-O 2.78Å; A207-A215 PolarHBondContact O-N 3.49Å; A215-I244 CarbonylContact C-O 3.45Å; A215-I244 WeakPolarHBondContact CA-O 3.41Å; A215-W245 HydrophobicContact CB-CD2 4.15Å; A215-W245 HydrophobicContact CB-CE3 4Å; A215-W245 HydrophobicContact CB-CH2 3.87Å; A215-W245 HydrophobicContact CB-CZ2 3.96Å; A215-W245 HydrophobicContact CB-CZ3 3.87Å
216L94.8Very high88.5Confident0 Ų035.9 Ų35.90%016%0.163CC..EExtended strand (participates in β ladder)trans-110.5131173.5-175.6154000110S205 V206 T220 F223 P243 I244 Y246 V266S205-L216 WeakPolarHBondContact O-CA 3.39Å; V206-L216 HydrophobicContact CG2-CB 4.29Å; V206-L216 HydrophobicContact CG2-CD1 3.97Å; V206-L216 HydrophobicContact CG2-CG 4.07Å; L216-T220 HydrophobicContact CD2-CG2 3.82Å; L216-F223 HydrophobicContact CD1-CB 4.15Å; L216-F223 HydrophobicContact CD1-CD1 3.68Å; L216-F223 HydrophobicContact CD1-CD2 3.78Å; L216-F223 HydrophobicContact CD1-CE1 3.92Å; L216-F223 HydrophobicContact CD1-CE2 4.02Å; L216-F223 HydrophobicContact CD1-CG 3.59Å; L216-F223 HydrophobicContact CD1-CZ 4.08Å; L216-F223 HydrophobicContact CD2-CB 4.05Å; L216-F223 HydrophobicContact CD2-CD2 3.7Å; L216-F223 HydrophobicContact CD2-CE2 4.36Å; L216-F223 HydrophobicContact CD2-CG 3.97Å; L216-F223 HydrophobicContact CG-CD2 4.39Å; L216-F223 HydrophobicContact CG-CG 4.48Å; L216-P243 CarbonylContact O-C 3.55Å; L216-P243 VanDerWaalsContact O-CA 3.25Å; L216-P243 WeakPolarHBondContact O-CA 3.5Å; L216-I244 HydrophobicContact CB-CB 4.42Å; L216-I244 HydrophobicContact CD2-CD1 4.27Å; L216-I244 PolarHBondContact N-O 2.59Å; L216-I244 PolarHBondContact O-N 2.8Å; L216-Y246 HydrophobicContact CB-CE2 3.76Å; L216-Y246 HydrophobicContact CD1-CE2 4.28Å; L216-V266 HydrophobicContact CD1-CG2 4.07Å
217F93.3Very high86.1Confident0 Ų039.7 Ų39.70%019%0.19CC..EExtended strand (participates in β ladder)trans-141.9160.5-179.350.4-84.9000111.7V141 L149 Q159 F161 L185 L189 H204 S205 A207 P243V141-F217 HydrophobicContact CG1-CE2 4.46Å; V141-F217 HydrophobicContact CG1-CZ 4.45Å; L149-F217 HydrophobicContact CD2-CE1 4.21Å; L149-F217 HydrophobicContact CD2-CZ 3.98Å; Q159-F217 WeakPolarHBondContact O-CD2 3.27Å; Q159-F217 VanDerWaalsContact O-CE2 3.26Å; Q159-F217 WeakPolarHBondContact O-CE2 3.09Å; F161-F217 HydrophobicContact CB-CB 4.05Å; F161-F217 HydrophobicContact CB-CD2 3.85Å; F161-F217 HydrophobicContact CB-CG 4.17Å; F161-F217 HydrophobicContact CG-CB 4.29Å; L185-F217 HydrophobicContact CD1-CE2 4.18Å; L185-F217 HydrophobicContact CD1-CZ 4.34Å; L189-F217 HydrophobicContact CD1-CD1 4.04Å; L189-F217 HydrophobicContact CD1-CE1 3.74Å; L189-F217 HydrophobicContact CD1-CZ 4.23Å; L189-F217 HydrophobicContact CD2-CD1 4.26Å; H204-F217 CarbonylContact C-O 3.57Å; H204-F217 VanDerWaalsContact CA-O 3.3Å; H204-F217 WeakPolarHBondContact CA-O 3.41Å; S205-F217 PolarHBondContact N-O 2.81Å; S205-F217 PolarHBondContact O-N 3.49Å; A207-F217 HydrophobicContact CB-CE1 4.21Å; F217-P243 HydrophobicContact CB-CB 4.46Å
218G93.5Very high84Confident1 Ų145.2 Ų45.21%0.0122%0.215CC..EExtended strand (participates in β ladder)trans104.2-137.8-172.300000114R157 K158 T220 S241R157-G218 CarbonylContact O-C 3.59Å; R157-G218 VanDerWaalsContact O-CA 3.31Å; R157-G218 WeakPolarHBondContact O-CA 3.41Å; K158-G218 VanDerWaalsContact C-CA 3.41Å; K158-G218 WeakPolarHBondContact O-CA 3.08Å; K158-G218 PolarHBondContact O-N 3.44Å; G218-T220 WeakPolarHBondContact O-CG2 3.15Å; G218-T220 PolarHBondContact O-N 3.18Å; G218-S241 PolarHBondContact O-OG 3.47Å
219D91.6Very high81.8Confident26 Ų2646.3 Ų46.314%0.13923%0.225CC..  trans-72.596178.6-170.7-6.3000110.9R157 Y203 R221R157-D219 HydrophobicContact CB-CB 4.44Å; R157-D219 IonicContact CZ-OD2 2.71Å; R157-D219 IonicContact NE-OD2 3.12Å; R157-D219 PolarHBondContact NE-OD2 2.93Å; R157-D219 IonicContact NH2-OD1 2.91Å; R157-D219 IonicContact NH2-OD2 3.56Å; R157-D219 PolarHBondContact NH2-OD2 3.16Å; R157-D219 PolarHBondContact O-N 3.02Å; Y203-D219 WeakPolarHBondContact O-CB 3.26Å; Y203-D219 PolarHBondContact O-N 3.34Å; D219-R221 VanDerWaalsContact C-N 3.32Å; D219-R221 VanDerWaalsContact CG-NE 3.32Å; D219-R221 PolarHBondContact O-N 2.69Å; D219-R221 WeakPolarHBondContact OD1-CB 3.44Å; D219-R221 VanDerWaalsContact OD1-CG 3.23Å; D219-R221 WeakPolarHBondContact OD1-CG 3.24Å; D219-R221 IonicContact OD1-CZ 2.98Å; D219-R221 PolarHBondContact OD1-N 3.31Å; D219-R221 IonicContact OD1-NE 3.56Å; D219-R221 PolarHBondContact OD1-NE 3.26Å; D219-R221 IonicContact OD2-CZ 2.63Å; D219-R221 IonicContact OD2-NE 3.9Å; D219-R221 PolarHBondContact OD2-NE 3.06Å; D219-R221 IonicContact OD2-NH2 2.96Å
220T89.5Confident79.4Confident18 Ų1853.5 Ų53.511%0.1126%0.258CS..  trans-88.610.7-174.664.40000114.6L216 G218 F222 F223 K224 I244L216-T220 HydrophobicContact CD2-CG2 3.82Å; G218-T220 WeakPolarHBondContact O-CG2 3.15Å; G218-T220 PolarHBondContact O-N 3.18Å; T220-F222 PolarHBondContact O-N 2.88Å; T220-F222 VanDerWaalsContact O-N 3.08Å; T220-F223 PolarHBondContact O-N 2.8Å; T220-K224 PolarHBondContact O-N 3.24Å; T220-K224 WeakPolarHBondContact OG1-CE 3.01Å; T220-I244 HydrophobicContact CG2-CD1 4.05Å; T220-I244 HydrophobicContact CG2-CG1 4.33Å
221R86.1Confident76.9Confident133 Ų13349 Ų4950%0.50225%0.245SC..THydrogen-bonded Turntrans-56.6-29.1-169.866.3179.756.1-152.1-25.9115.2D219D219-R221 VanDerWaalsContact C-N 3.32Å; D219-R221 VanDerWaalsContact CG-NE 3.32Å; D219-R221 PolarHBondContact O-N 2.69Å; D219-R221 WeakPolarHBondContact OD1-CB 3.44Å; D219-R221 VanDerWaalsContact OD1-CG 3.23Å; D219-R221 WeakPolarHBondContact OD1-CG 3.24Å; D219-R221 IonicContact OD1-CZ 2.98Å; D219-R221 PolarHBondContact OD1-N 3.31Å; D219-R221 IonicContact OD1-NE 3.56Å; D219-R221 PolarHBondContact OD1-NE 3.26Å; D219-R221 IonicContact OD2-CZ 2.63Å; D219-R221 IonicContact OD2-NE 3.9Å; D219-R221 PolarHBondContact OD2-NE 3.06Å; D219-R221 IonicContact OD2-NH2 2.96Å
222F89.2Confident74.8Confident24 Ų2450.2 Ų50.211%0.10525%0.248CC..THydrogen-bonded Turntrans-103.54.7-179.7-54-51000113T220 R280 P305 F307T220-F222 PolarHBondContact O-N 2.88Å; T220-F222 VanDerWaalsContact O-N 3.08Å; F222-R280 HydrophobicContact CD1-CB 4.39Å; F222-R280 HydrophobicContact CD2-CB 3.96Å; F222-R280 HydrophobicContact CE2-CB 4.19Å; F222-R280 HydrophobicContact CE2-CG 4.49Å; F222-R280 HydrophobicContact CG-CB 4.06Å; F222-R280 HydrophobicContact CZ-CG 4.4Å; F222-P305 HydrophobicContact CE1-CB 3.75Å; F222-P305 HydrophobicContact CE1-CG 4.01Å; F222-P305 HydrophobicContact CZ-CB 4.22Å; F222-P305 HydrophobicContact CZ-CG 4.2Å; F222-F307 HydrophobicContact CB-CB 4.03Å; F222-F307 HydrophobicContact CB-CD2 4.46Å; F222-F307 HydrophobicContact CB-CG 4.32Å; F222-F307 HydrophobicContact CD1-CB 3.96Å; F222-F307 HydrophobicContact CD1-CD1 4.06Å; F222-F307 HydrophobicContact CD1-CG 4.09Å; F222-F307 HydrophobicContact CG-CB 4.36Å; F222-F307 WeakPolarHBondContact O-CD2 3.44Å
223F90.6Very high72.6Confident5 Ų554.6 Ų54.62%0.02228%0.28CS..THydrogen-bonded Turntrans-122.2-12.7-168.7-56-65.2000113.5H204 L216 T220 I244 V266 W278H204-F223 HydrophobicContact CB-CE2 4.22Å; H204-F223 AromaticContact CD2-CE2 3.97Å; H204-F223 AromaticContact CD2-CZ 3.97Å; H204-F223 AromaticContact CE1-CZ 3.85Å; H204-F223 AromaticContact CG-CE2 3.78Å; H204-F223 AromaticContact ND1-CE2 3.89Å; H204-F223 AromaticContact NE2-CZ 3.79Å; L216-F223 HydrophobicContact CD1-CB 4.15Å; L216-F223 HydrophobicContact CD1-CD1 3.68Å; L216-F223 HydrophobicContact CD1-CD2 3.78Å; L216-F223 HydrophobicContact CD1-CE1 3.92Å; L216-F223 HydrophobicContact CD1-CE2 4.02Å; L216-F223 HydrophobicContact CD1-CG 3.59Å; L216-F223 HydrophobicContact CD1-CZ 4.08Å; L216-F223 HydrophobicContact CD2-CB 4.05Å; L216-F223 HydrophobicContact CD2-CD2 3.7Å; L216-F223 HydrophobicContact CD2-CE2 4.36Å; L216-F223 HydrophobicContact CD2-CG 3.97Å; L216-F223 HydrophobicContact CG-CD2 4.39Å; L216-F223 HydrophobicContact CG-CG 4.48Å; T220-F223 PolarHBondContact O-N 2.8Å; F223-I244 HydrophobicContact CB-CD1 3.64Å; F223-I244 WeakPolarHBondContact O-CD1 3.14Å; F223-V266 HydrophobicContact CE1-CG2 3.78Å; F223-V266 HydrophobicContact CZ-CG2 3.99Å; F223-W278 AromaticContact CD1-CD1 3.54Å; F223-W278 AromaticContact CD1-NE1 3.68Å
224K80.8Confident69.8Low42 Ų4255.9 Ų55.918%0.18329%0.289CS..SBendtrans-100.5146.2172.3-64.7-165.3178.9-1630111.5T220 S242 I244T220-K224 PolarHBondContact O-N 3.24Å; T220-K224 WeakPolarHBondContact OG1-CE 3.01Å; K224-S242 PolarHBondContact NZ-O 3.13Å; K224-I244 HydrophobicContact CB-CD1 4.49Å; K224-I244 HydrophobicContact CD-CD1 4.3Å; K224-I244 HydrophobicContact CG-CD1 3.39Å; K224-I244 HydrophobicContact CG-CG1 4.08Å
225L61.1Low66.9Low67 Ų6762.1 Ų62.135%0.35132%0.323SS..  trans-56.9135.9171.7-88.9147.1000111.3S227 E228 Y310L225-S227 PolarHBondContact O-N 2.84Å; L225-S227 VanDerWaalsContact O-N 3.13Å; L225-E228 WeakPolarHBondContact O-CB 3.5Å; L225-E228 PolarHBondContact O-N 2.82Å; L225-Y310 HydrophobicContact CD1-CE2 4.18Å; L225-Y310 WeakPolarHBondContact CD1-OH 3.3Å; L225-Y310 HydrophobicContact CD2-CE2 3.6Å; L225-Y310 WeakPolarHBondContact CD2-OH 3.33Å; L225-Y310 HydrophobicContact CG-CE2 3.85Å; L225-Y310 WeakPolarHBondContact CG-OH 3.49Å
226K52.6Low64.3Low67 Ų6769.2 Ų69.229%0.29137%0.366SS..G310 helixtrans-57.1-28.3179.6-71.3179.6179.6174.90113.6E228 V229 F307K226-E228 PolarHBondContact O-N 3.06Å; K226-V229 WeakPolarHBondContact O-CA 3.19Å; K226-V229 VanDerWaalsContact O-CB 3.28Å; K226-V229 WeakPolarHBondContact O-CB 3.15Å; K226-V229 PolarHBondContact O-N 2.85Å; K226-F307 HydrophobicContact CD-CE1 4.38Å; K226-F307 HydrophobicContact CD-CZ 4.11Å; K226-F307 VanDerWaalsContact CE-CZ 3.46Å; K226-F307 HydrophobicContact CG-CE1 4.21Å; K226-F307 HydrophobicContact CG-CE2 4.32Å; K226-F307 HydrophobicContact CG-CZ 3.52Å
227S46.4Very low61.7Low80 Ų8078 Ų7856%0.55941%0.407SS*.G310 helixtrans-67.7-21.2176.354.30000113.5L225 V229 H230L225-S227 PolarHBondContact O-N 2.84Å; L225-S227 VanDerWaalsContact O-N 3.13Å; S227-V229 VanDerWaalsContact C-N 3.28Å; S227-H230 PolarHBondContact O-CD2 2.83Å
228E50.7Low59.1Low115 Ų11582 Ų8254%0.53744%0.435SS..G310 helixtrans-86.3-3.3170.6-59-176.1168.600112.4L225 K226 H230 R239L225-E228 WeakPolarHBondContact O-CB 3.5Å; L225-E228 PolarHBondContact O-N 2.82Å; K226-E228 PolarHBondContact O-N 3.06Å; E228-H230 VanDerWaalsContact C-N 3.34Å; E228-R239 PolarHBondContact O-NH1 2.86Å
229V50.7Low56.8Low49 Ų4987.4 Ų87.430%0.29746%0.455SS..G310 helixtrans-97.114.6178.3-166.70000110.9K226 S227 D231 L232K226-V229 WeakPolarHBondContact O-CA 3.19Å; K226-V229 VanDerWaalsContact O-CB 3.28Å; K226-V229 WeakPolarHBondContact O-CB 3.15Å; K226-V229 PolarHBondContact O-N 2.85Å; S227-V229 VanDerWaalsContact C-N 3.28Å; V229-D231 PolarHBondContact O-N 2.91Å; V229-L232 HydrophobicContact CG1-CD1 3.88Å; V229-L232 HydrophobicContact CG1-CD2 4.16Å; V229-L232 HydrophobicContact CG1-CG 3.93Å
230H43.4Very low54.8Low151 Ų15190.5 Ų90.570%0.69947%0.471SS*.  trans-67.91-177.6-93.8-56.3000116.2S227 E228S227-H230 PolarHBondContact O-CD2 2.83Å; E228-H230 VanDerWaalsContact C-N 3.34Å
231D39.6Very low53.3Low59 Ų5990.3 Ų90.332%0.31647%0.471SS..  trans-139.478.8177.4-149.1-20.1000112V229 S233 L234 R239V229-D231 PolarHBondContact O-N 2.91Å; D231-S233 PolarHBondContact OD1-N 3.31Å; D231-S233 PolarHBondContact OD1-OG 3.19Å; D231-L234 HydrophobicContact CB-CD1 3.97Å; D231-L234 HydrophobicContact CB-CG 4.43Å; D231-L234 VanDerWaalsContact CG-CD1 3.41Å; D231-L234 PolarHBondContact OD1-N 3.04Å; D231-L234 WeakPolarHBondContact OD2-CD1 3.22Å; D231-L234 WeakPolarHBondContact OD2-CG 3.46Å; D231-R239 PolarHBondContact O-NH2 2.81Å
232L45.1Very low52.8Low128 Ų12887.5 Ų87.567%0.6747%0.472SS*.SBendtrans-85.22.4168.1-73.8163.6000111.9V229 F304V229-L232 HydrophobicContact CG1-CD1 3.88Å; V229-L232 HydrophobicContact CG1-CD2 4.16Å; V229-L232 HydrophobicContact CG1-CG 3.93Å; L232-F304 HydrophobicContact CD1-CZ 4.29Å
233S45.2Very low52.7Low109 Ų10987.4 Ų87.476%0.76247%0.473SS*.SBendtrans-87.2-13.6172.229.60000113.6D231D231-S233 PolarHBondContact OD1-N 3.31Å; D231-S233 PolarHBondContact OD1-OG 3.19Å
234L33.1Very low52.7Low99 Ų9988.5 Ų88.552%0.51848%0.479SS..SBendtrans-82.7125.1174.6-74.5168.5000110.2D231 T236D231-L234 HydrophobicContact CB-CD1 3.97Å; D231-L234 HydrophobicContact CB-CG 4.43Å; D231-L234 VanDerWaalsContact CG-CD1 3.41Å; D231-L234 PolarHBondContact OD1-N 3.04Å; D231-L234 WeakPolarHBondContact OD2-CD1 3.22Å; D231-L234 WeakPolarHBondContact OD2-CG 3.46Å; L234-T236 PolarHBondContact O-N 2.85Å
235N34.2Very low53.1Low131 Ų13190.6 Ų90.670%0.70149%0.486SS*.  trans-36.4128.9178.6-83.8-18.8000112.5E237 S238N235-E237 PolarHBondContact O-N 2.91Å; N235-S238 PolarHBondContact O-N 3.02Å; N235-S238 PolarHBondContact O-OG 3.05Å
236T39.5Very low54.7Low149 Ų14987.8 Ų87.891%0.91447%0.471SS*.THydrogen-bonded Turntrans-51.8-1.3-179.216.80000116.2L234L234-T236 PolarHBondContact O-N 2.85Å
237E39.7Very low56.6Low184 Ų18487.9 Ų87.986%0.8647%0.474SS*.THydrogen-bonded Turntrans-100.4-19-179-69.3-176158.800114.2N235N235-E237 PolarHBondContact O-N 2.91Å
238S38.8Very low58.6Low84 Ų8485.1 Ų85.159%0.58746%0.457SS*.SBendtrans-91.9-7.2-171.170.90000115.8N235 L240N235-S238 PolarHBondContact O-N 3.02Å; N235-S238 PolarHBondContact O-OG 3.05Å; S238-L240 PolarHBondContact O-N 3.39Å
239R44.5Very low60.7Low115 Ų11586.9 Ų86.943%0.43447%0.465SS..  trans-90.285.8171.9-66.8-174.1-170.5-144.4-0.4108.7E228 D231 S241E228-R239 PolarHBondContact O-NH1 2.86Å; D231-R239 PolarHBondContact O-NH2 2.81Å; R239-S241 PolarHBondContact O-N 2.85Å
240L50Low62.8Low91 Ų9187.8 Ų87.848%0.47647%0.468SS..  trans-51.995.5142.1-70.5166.9000105.1D163 L166 S238 S242D163-L240 WeakPolarHBondContact OD2-CD2 3.02Å; L166-L240 HydrophobicContact CD1-CD1 4.45Å; L166-L240 HydrophobicContact CD1-CD2 4.04Å; S238-L240 PolarHBondContact O-N 3.39Å; L240-S242 PolarHBondContact O-N 2.89Å
241S58.9Low65.3Low14 Ų1480.6 Ų80.610%0.09844%0.435CS..  trans-69.586.717643.10000105.5F161 G218 R239F161-S241 WeakPolarHBondContact CE2-O 3.41Å; G218-S241 PolarHBondContact O-OG 3.47Å; R239-S241 PolarHBondContact O-N 2.85Å
242S74.5Confident67.9Low75 Ų7579.9 Ų79.952%0.52444%0.441SS..  trans-44.7137.9173.5-60.40000108.1K224 L240 I244K224-S242 PolarHBondContact NZ-O 3.13Å; L240-S242 PolarHBondContact O-N 2.89Å; S242-I244 PolarHBondContact O-N 3.1Å
243P87Confident70.3Confident21 Ų2179.1 Ų79.114%0.13644%0.437CS..PPolyproline II helixtrans-54.2139.9-177.1-2030.6000109.3F161 L189 L216 F217F161-P243 HydrophobicContact CD1-CG 3.94Å; F161-P243 HydrophobicContact CE1-CG 3.57Å; F161-P243 HydrophobicContact CZ-CG 4.03Å; L189-P243 HydrophobicContact CD2-CB 3.87Å; L189-P243 HydrophobicContact CD2-CG 3.16Å; L216-P243 CarbonylContact O-C 3.55Å; L216-P243 VanDerWaalsContact O-CA 3.25Å; L216-P243 WeakPolarHBondContact O-CA 3.5Å; F217-P243 HydrophobicContact CB-CB 4.46Å
244I90Very high72.8Confident29 Ų2976 Ų7615%0.14941%0.412CS..EExtended strand (participates in β ladder)trans-85.2125.4172.3-52.8175.3000107A215 L216 T220 F223 K224 S242 Y246A215-I244 CarbonylContact C-O 3.45Å; A215-I244 WeakPolarHBondContact CA-O 3.41Å; L216-I244 HydrophobicContact CB-CB 4.42Å; L216-I244 HydrophobicContact CD2-CD1 4.27Å; L216-I244 PolarHBondContact N-O 2.59Å; L216-I244 PolarHBondContact O-N 2.8Å; T220-I244 HydrophobicContact CG2-CD1 4.05Å; T220-I244 HydrophobicContact CG2-CG1 4.33Å; F223-I244 HydrophobicContact CB-CD1 3.64Å; F223-I244 WeakPolarHBondContact O-CD1 3.14Å; K224-I244 HydrophobicContact CB-CD1 4.49Å; K224-I244 HydrophobicContact CD-CD1 4.3Å; K224-I244 HydrophobicContact CG-CD1 3.39Å; K224-I244 HydrophobicContact CG-CG1 4.08Å; S242-I244 PolarHBondContact O-N 3.1Å; I244-Y246 HydrophobicContact CB-CE2 4Å; I244-Y246 HydrophobicContact CG2-CD2 4.35Å; I244-Y246 HydrophobicContact CG2-CE1 4.18Å; I244-Y246 HydrophobicContact CG2-CE2 3.67Å
245W90.9Very high75.8Confident86 Ų8676.6 Ų76.633%0.32641%0.411SS..EExtended strand (participates in β ladder)trans-99.4134.5176.8-71.890.2000110.3L189 H193 W195 T209 K213 L214 A215L189-W245 VanDerWaalsContact O-CZ2 3.3Å; L189-W245 WeakPolarHBondContact O-CZ2 3.11Å; H193-W245 AromaticContact CE1-CH2 3.61Å; H193-W245 AromaticContact ND1-CH2 3.86Å; H193-W245 AromaticContact NE2-CH2 3.79Å; W195-W245 AromaticContact CH2-CH2 3.57Å; W195-W245 HydrophobicContact CH2-CH2 3.57Å; W195-W245 HydrophobicContact CH2-CZ2 4.35Å; W195-W245 HydrophobicContact CH2-CZ3 4.17Å; W195-W245 HydrophobicContact CZ2-CH2 4.28Å; W195-W245 HydrophobicContact CZ3-CH2 4.38Å; T209-W245 HydrophobicContact CG2-CH2 4.49Å; T209-W245 HydrophobicContact CG2-CZ3 4.03Å; K213-W245 HydrophobicContact CB-CE3 4.07Å; K213-W245 HydrophobicContact CB-CZ3 4.07Å; K213-W245 HydrophobicContact CD-CE3 4.4Å; L214-W245 CarbonylContact O-C 3.58Å; L214-W245 WeakPolarHBondContact O-CA 3.47Å; A215-W245 HydrophobicContact CB-CD2 4.15Å; A215-W245 HydrophobicContact CB-CE3 4Å; A215-W245 HydrophobicContact CB-CH2 3.87Å; A215-W245 HydrophobicContact CB-CZ2 3.96Å; A215-W245 HydrophobicContact CB-CZ3 3.87Å
246Y93.4Very high78.8Confident7 Ų770.4 Ų70.43%0.02738%0.377CS..EExtended strand (participates in β ladder)trans-117.5118.4173.8-55.2-94.2000108.3K213 L214 L216 I244 L250 W278 P311K213-Y246 WeakPolarHBondContact CA-O 3.49Å; L214-Y246 HydrophobicContact CB-CD2 4.29Å; L214-Y246 PolarHBondContact N-O 3.45Å; L214-Y246 PolarHBondContact O-N 3.03Å; L216-Y246 HydrophobicContact CB-CE2 3.76Å; L216-Y246 HydrophobicContact CD1-CE2 4.28Å; I244-Y246 HydrophobicContact CB-CE2 4Å; I244-Y246 HydrophobicContact CG2-CD2 4.35Å; I244-Y246 HydrophobicContact CG2-CE1 4.18Å; I244-Y246 HydrophobicContact CG2-CE2 3.67Å; Y246-L250 HydrophobicContact CD1-CD1 3.77Å; Y246-L250 HydrophobicContact CG-CD1 4.36Å; Y246-W278 HydrophobicContact CD2-CZ2 4.42Å; Y246-W278 HydrophobicContact CE1-CZ2 4.47Å; Y246-W278 AromaticContact CE1-NE1 3.72Å; Y246-W278 HydrophobicContact CE2-CZ2 4.27Å; Y246-W278 AromaticContact CZ-NE1 3.38Å; Y246-W278 PolarHBondContact OH-NE1 3.42Å; Y246-P311 HydrophobicContact CD1-CG 3.79Å; Y246-P311 HydrophobicContact CE1-CG 4.13Å
247D92.5Very high81.6Confident69 Ų6966.6 Ų66.637%0.36935%0.349SS..  trans-86.4159.9178-71.7-57000111.8K213 E249 L250K213-D247 WeakPolarHBondContact CD-OD1 3.26Å; K213-D247 VanDerWaalsContact CE-OD1 3.23Å; K213-D247 WeakPolarHBondContact CE-OD1 3.35Å; K213-D247 IonicContact NZ-OD1 3.81Å; K213-D247 PolarHBondContact NZ-OD1 2.75Å; D247-E249 PolarHBondContact O-N 2.66Å; D247-E249 VanDerWaalsContact O-N 3.08Å; D247-L250 WeakPolarHBondContact O-CB 3.49Å; D247-L250 PolarHBondContact O-N 2.82Å; D247-L250 VanDerWaalsContact O-N 3.13Å
248A89.9Confident84.3Confident23 Ų2359.8 Ų59.819%0.1932%0.317CS..G310 helixtrans-56.1-28.1-176.200000114N212 L250 F251 N253N212-A248 HydrophobicContact CB-CB 4.37Å; N212-A248 VanDerWaalsContact ND2-CB 3.33Å; N212-A248 WeakPolarHBondContact ND2-CB 3.09Å; A248-L250 PolarHBondContact O-N 3.23Å; A248-F251 CarbonylContact O-C 3.57Å; A248-F251 PolarHBondContact O-N 3.48Å; A248-N253 VanDerWaalsContact O-CA 3.3Å; A248-N253 WeakPolarHBondContact O-CA 3.27Å; A248-N253 PolarHBondContact O-N 3.15Å
249E94.4Very high87.2Confident151 Ų15156 Ų5671%0.70629%0.291SS*.G310 helixtrans-57.9-34.4179.2-66177.6-172.200112.5D247 F251 G252 N253D247-E249 PolarHBondContact O-N 2.66Å; D247-E249 VanDerWaalsContact O-N 3.08Å; E249-F251 PolarHBondContact O-N 3.32Å; E249-F251 VanDerWaalsContact O-N 3.14Å; E249-G252 PolarHBondContact O-N 3.22Å; E249-N253 WeakPolarHBondContact CA-OD1 3.26Å; E249-N253 WeakPolarHBondContact CG-OD1 3.02Å
250L95Very high89.8Confident69 Ų6951.8 Ų51.836%0.36128%0.278SS..G310 helixtrans-66.3-15.1177.6-63.2175.2000113Y246 D247 A248 Y276 P311Y246-L250 HydrophobicContact CD1-CD1 3.77Å; Y246-L250 HydrophobicContact CG-CD1 4.36Å; D247-L250 WeakPolarHBondContact O-CB 3.49Å; D247-L250 PolarHBondContact O-N 2.82Å; D247-L250 VanDerWaalsContact O-N 3.13Å; A248-L250 PolarHBondContact O-N 3.23Å; L250-Y276 WeakPolarHBondContact O-CE1 3.5Å; L250-P311 HydrophobicContact CB-CG 4.27Å; L250-P311 HydrophobicContact CD1-CG 4.29Å
251F95.9Very high92.1Very high0 Ų048.2 Ų48.20%026%0.26CS..G310 helixtrans-114.430.2179.4-45.2-65.1000111.4L214 A248 E249 N253 N254 V256 V268 T270 Y276 W278 P311L214-F251 HydrophobicContact CD1-CE1 4.42Å; L214-F251 HydrophobicContact CD1-CE2 3.79Å; L214-F251 HydrophobicContact CD1-CZ 3.52Å; L214-F251 HydrophobicContact CG-CE2 4.36Å; A248-F251 CarbonylContact O-C 3.57Å; A248-F251 PolarHBondContact O-N 3.48Å; E249-F251 PolarHBondContact O-N 3.32Å; E249-F251 VanDerWaalsContact O-N 3.14Å; F251-N253 PolarHBondContact O-N 2.93Å; F251-N254 WeakPolarHBondContact O-CB 3.44Å; F251-N254 PolarHBondContact O-N 3.14Å; F251-V256 HydrophobicContact CB-CG2 4.25Å; F251-V256 HydrophobicContact CD1-CG2 4.49Å; F251-V256 HydrophobicContact CD2-CG2 3.59Å; F251-V256 HydrophobicContact CE2-CG2 4.06Å; F251-V256 HydrophobicContact CG-CG2 3.84Å; F251-V268 HydrophobicContact CD1-CG2 3.76Å; F251-V268 HydrophobicContact CE1-CG2 3.68Å; F251-T270 HydrophobicContact CB-CG2 4.18Å; F251-Y276 HydrophobicContact CB-CE2 4.37Å; F251-Y276 HydrophobicContact CD1-CD1 4.29Å; F251-Y276 HydrophobicContact CD1-CD2 4.19Å; F251-Y276 AromaticContact CD1-CG 3.97Å; F251-Y276 HydrophobicContact CD1-CG 3.97Å; F251-W278 HydrophobicContact CE1-CH2 4.2Å; F251-W278 AromaticContact CE1-CZ3 3.98Å; F251-W278 HydrophobicContact CE1-CZ3 3.98Å; F251-W278 HydrophobicContact CZ-CH2 4.22Å; F251-W278 HydrophobicContact CZ-CZ3 4.45Å; F251-P311 HydrophobicContact CD1-CB 4.26Å; F251-P311 HydrophobicContact CE1-CB 3.64Å; F251-P311 HydrophobicContact CE1-CG 3.78Å; F251-P311 HydrophobicContact CZ-CB 4.43Å; F251-P311 HydrophobicContact CZ-CG 4.08Å
252G94.3Very high93.9Very high43 Ų4347.6 Ų47.644%0.44326%0.256SS..THydrogen-bonded Turntrans65.523.2-179.700000113.7E249 N254E249-G252 PolarHBondContact O-N 3.22Å; G252-N254 PolarHBondContact O-N 3.48Å; G252-N254 VanDerWaalsContact O-N 3.16Å
253N95.2Very high95Very high113 Ų11348 Ų4860%0.60425%0.246SC*.THydrogen-bonded Turntrans62.18.3-170.3-62.8-59.5000115A248 E249 F251A248-N253 VanDerWaalsContact O-CA 3.3Å; A248-N253 WeakPolarHBondContact O-CA 3.27Å; A248-N253 PolarHBondContact O-N 3.15Å; E249-N253 WeakPolarHBondContact CA-OD1 3.26Å; E249-N253 WeakPolarHBondContact CG-OD1 3.02Å; F251-N253 PolarHBondContact O-N 2.93Å
254N96.7Very high95.5Very high42 Ų4247.4 Ų47.423%0.22524%0.242CC..PPolyproline II helixtrans-75.4147175.4-68.2-53.1000110.7N212 F251 G252 V256 T270 V272 E274N212-N254 PolarHBondContact ND2-O 2.98Å; F251-N254 WeakPolarHBondContact O-CB 3.44Å; F251-N254 PolarHBondContact O-N 3.14Å; G252-N254 PolarHBondContact O-N 3.48Å; G252-N254 VanDerWaalsContact O-N 3.16Å; N254-V256 PolarHBondContact O-N 3.46Å; N254-T270 HydrophobicContact CB-CG2 4.02Å; N254-V272 HydrophobicContact CB-CG2 4.09Å; N254-V272 WeakPolarHBondContact ND2-CG2 3.29Å; N254-E274 PolarHBondContact ND2-OE2 3.29Å
255K96.8Very high95.8Very high113 Ų11346 Ų4649%0.49124%0.235SC..PPolyproline II helixtrans-66.7121.5177.1-179.4-174.8174.4-167.30109.4N212 E257 T270 S271N212-K255 WeakPolarHBondContact ND2-CA 3.37Å; N212-K255 WeakPolarHBondContact OD1-CA 3.5Å; K255-E257 HydrophobicContact CG-CG 4.47Å; K255-E257 PolarHBondContact O-N 3.44Å; K255-T270 CarbonylContact O-C 3.6Å; K255-T270 WeakPolarHBondContact O-CA 3.41Å; K255-S271 PolarHBondContact O-N 2.85Å
256V97.4Very high96.2Very high0 Ų041.9 Ų41.90%022%0.22CC..EExtended strand (participates in β ladder)trans-69.4122.7166.8179.60000108.7R208 N212 L214 F251 N254 V268R208-V256 WeakPolarHBondContact CD-O 3.47Å; R208-V256 PolarHBondContact NE-O 3.04Å; R208-V256 PolarHBondContact NH1-O 3.2Å; N212-V256 WeakPolarHBondContact OD1-CB 3.37Å; N212-V256 PolarHBondContact OD1-N 2.95Å; L214-V256 HydrophobicContact CD2-CG1 4.43Å; F251-V256 HydrophobicContact CB-CG2 4.25Å; F251-V256 HydrophobicContact CD1-CG2 4.49Å; F251-V256 HydrophobicContact CD2-CG2 3.59Å; F251-V256 HydrophobicContact CE2-CG2 4.06Å; F251-V256 HydrophobicContact CG-CG2 3.84Å; N254-V256 PolarHBondContact O-N 3.46Å; V256-V268 HydrophobicContact CG1-CB 3.88Å; V256-V268 HydrophobicContact CG1-CG1 4.11Å
257E97Very high96.5Very high70 Ų7041.6 Ų41.633%0.32722%0.219SC..EExtended strand (participates in β ladder)trans-106.9-29.5-178.4-68.5-165.3148.700112.8R208 K255 R269 S271R208-E257 PolarHBondContact NH2-O 3.24Å; K255-E257 HydrophobicContact CG-CG 4.47Å; K255-E257 PolarHBondContact O-N 3.44Å; E257-R269 VanDerWaalsContact CB-NH2 3.29Å; E257-R269 PolarHBondContact N-O 3.47Å; E257-R269 IonicContact OE2-CZ 3.77Å; E257-R269 VanDerWaalsContact OE2-CZ 3.24Å; E257-R269 IonicContact OE2-NH1 2.69Å; E257-R269 PolarHBondContact OE2-NH1 3.31Å; E257-R269 IonicContact OE2-NH2 3.24Å; E257-R269 PolarHBondContact OE2-NH2 3.33Å; E257-S271 VanDerWaalsContact CD-CA 3.43Å; E257-S271 WeakPolarHBondContact OE1-CB 3.47Å
258Q97.9Very high96.8Very high40 Ų4038.3 Ų38.319%0.18720%0.201CC..EExtended strand (participates in β ladder)trans-137.3139-179.3-170.817615.800110V260 V268 R269 T328 I329Q258-V260 HydrophobicContact CG-CG1 4.34Å; Q258-V268 CarbonylContact O-C 3.49Å; Q258-V268 VanDerWaalsContact O-CA 3.25Å; Q258-V268 WeakPolarHBondContact O-CA 3.5Å; Q258-R269 HydrophobicContact CB-CB 4.07Å; Q258-R269 PolarHBondContact N-O 3.32Å; Q258-R269 PolarHBondContact O-N 2.7Å; Q258-T328 PolarHBondContact NE2-OG1 3.48Å; Q258-T328 PolarHBondContact OE1-OG1 2.98Å; Q258-I329 HydrophobicContact CG-CD1 4.42Å; Q258-I329 HydrophobicContact CG-CG1 3.99Å; Q258-I329 PolarHBondContact NE2-O 3.47Å; Q258-I329 VanDerWaalsContact OE1-N 3.16Å
259V98.5Very high97.2Very high6 Ų638.9 Ų38.94%0.03620%0.198CC..EExtended strand (participates in β ladder)trans-126.7135.6169.357.80000109D197 A199 V206 V266 V268D197-V259 HydrophobicContact CB-CG1 4.35Å; A199-V259 HydrophobicContact CB-CG1 4.16Å; A199-V259 HydrophobicContact CB-CG2 4.02Å; V206-V259 HydrophobicContact CB-CG2 4.09Å; V206-V259 HydrophobicContact CG1-CG2 3.84Å; V259-V266 HydrophobicContact CG2-CG1 4.1Å; V259-V268 HydrophobicContact CB-CG1 4.2Å; V259-V268 HydrophobicContact CG2-CG1 4.05Å
260V98.7Very high97.4Very high25 Ų2531.7 Ų31.715%0.15217%0.165CC..EExtended strand (participates in β ladder)trans-138.9151.5173.8-62.40000109.3Q258 L267 I329 C331Q258-V260 HydrophobicContact CG-CG1 4.34Å; V260-L267 HydrophobicContact CG2-CB 3.82Å; V260-L267 PolarHBondContact N-O 2.98Å; V260-L267 PolarHBondContact O-N 3.14Å; V260-I329 HydrophobicContact CG1-CG1 4.35Å; V260-I329 HydrophobicContact CG2-CB 4.36Å; V260-I329 HydrophobicContact CG2-CD1 3.67Å; V260-I329 HydrophobicContact CG2-CG1 3.84Å; V260-C331 HydrophobicContact CG2-CB 4.42Å; V260-C331 VanDerWaalsContact CG2-SG 3.59Å
261C98.7Very high97.5Very high16 Ų1630.9 Ų30.911%0.10817%0.165CC..EExtended strand (participates in β ladder)trans-121.1137.7179.4-70.10000109.4A199 H204 C331A199-C261 HydrophobicContact CB-CB 4.24Å; A199-C261 VanDerWaalsContact CB-SG 3.56Å; H204-C261 PolarHBondContact NE2-SG 3.06Å; H204-C261 VanDerWaalsContact NE2-SG 3.39Å; C261-C331 WeakPolarHBondContact O-CB 3.49Å
262G98.3Very high97.5Very high2 Ų234.3 Ų34.32%0.02119%0.186CC..  trans-86.6-161.2153.100000110.8G201 S264 H265 G332G201-G262 WeakPolarHBondContact CA-O 3.46Å; G262-S264 VanDerWaalsContact C-N 3.33Å; G262-S264 PolarHBondContact O-N 2.81Å; G262-H265 VanDerWaalsContact CA-CE1 3.5Å; G262-H265 WeakPolarHBondContact CA-CE1 3.46Å; G262-H265 PolarHBondContact N-O 3.08Å; G262-G332 WeakPolarHBondContact CA-O 3.25Å
263W97.4Very high97.7Very high83 Ų8332.3 Ų32.331%0.31417%0.165SC..SBendtrans-64.4-41.5178.3-81.710.6000112.5W88 L137 A202 H204 S333 Y403W88-W263 AromaticContact CE3-CZ2 3.92Å; W88-W263 HydrophobicContact CE3-CZ2 3.92Å; W88-W263 AromaticContact CZ3-CH2 3.93Å; W88-W263 HydrophobicContact CZ3-CH2 3.93Å; W88-W263 AromaticContact CZ3-CZ2 3.62Å; W88-W263 HydrophobicContact CZ3-CZ2 3.62Å; L137-W263 HydrophobicContact CD1-CZ2 4.16Å; A202-W263 HydrophobicContact CB-CB 3.81Å; A202-W263 HydrophobicContact CB-CD2 4.38Å; A202-W263 HydrophobicContact CB-CG 3.8Å; A202-W263 WeakPolarHBondContact CB-O 3.34Å; A202-W263 PolarHBondContact N-O 2.9Å; H204-W263 PolarHBondContact CE1-O 3.48Å; H204-W263 PolarHBondContact ND1-O 2.86Å; W263-S333 WeakPolarHBondContact CB-O 3.26Å; W263-S333 PolarHBondContact N-O 2.74Å; W263-Y403 AromaticContact CE2-CD2 3.99Å; W263-Y403 AromaticContact CE2-CG 3.99Å; W263-Y403 AromaticContact CZ2-CD2 3.71Å; W263-Y403 HydrophobicContact CZ2-CD2 3.71Å; W263-Y403 HydrophobicContact CZ2-CE2 4.23Å; W263-Y403 AromaticContact CZ2-CG 3.99Å; W263-Y403 HydrophobicContact CZ2-CG 3.99Å; W263-Y403 AromaticContact NE1-CD1 3.42Å; W263-Y403 AromaticContact NE1-CD2 3.63Å; W263-Y403 AromaticContact NE1-CE1 3.52Å; W263-Y403 AromaticContact NE1-CE2 3.69Å; W263-Y403 AromaticContact NE1-CG 3.48Å; W263-Y403 AromaticContact NE1-CZ 3.65Å
264S96Very high97.9Very high8 Ų828.5 Ų28.56%0.05614%0.144CC..SBendtrans-135.88.2-167.964.90000114.2G262 R280 E334G262-S264 VanDerWaalsContact C-N 3.33Å; G262-S264 PolarHBondContact O-N 2.81Å; S264-R280 PolarHBondContact O-N 3.29Å; S264-R280 VanDerWaalsContact OG-CB 3.3Å; S264-R280 WeakPolarHBondContact OG-CB 3.23Å; S264-R280 WeakPolarHBondContact OG-CD 3.06Å; S264-E334 PolarHBondContact OG-OE1 3.22Å; S264-E334 PolarHBondContact OG-OE2 3.47Å; S264-E334 VanDerWaalsContact OG-OE2 3.05Å
265H98Very high97.9Very high0 Ų026.6 Ų26.60%013%0.133CC..EExtended strand (participates in β ladder)trans-139.9159.4178.968.8-63.1000112G262 L267 W278 Q285 L286 S336G262-H265 VanDerWaalsContact CA-CE1 3.5Å; G262-H265 WeakPolarHBondContact CA-CE1 3.46Å; G262-H265 PolarHBondContact N-O 3.08Å; H265-L267 WeakPolarHBondContact CD2-CD1 3.49Å; H265-W278 CarbonylContact C-O 3.6Å; H265-W278 WeakPolarHBondContact CA-O 3.22Å; H265-W278 WeakPolarHBondContact CB-O 3.41Å; H265-Q285 HydrophobicContact CB-CG 4.04Å; H265-Q285 PolarHBondContact CD2-O 2.93Å; H265-L286 HydrophobicContact CB-CD2 3.74Å; H265-S336 PolarHBondContact NE2-OG 3.42Å
266V98.6Very high98Very high0 Ų022.3 Ų22.30%011%0.114CC..EExtended strand (participates in β ladder)trans-123138.5179.4-1780000108.8V206 L216 F223 V259 V268 S277 W278V206-V266 HydrophobicContact CG2-CG1 4.28Å; V206-V266 HydrophobicContact CG2-CG2 3.88Å; L216-V266 HydrophobicContact CD1-CG2 4.07Å; F223-V266 HydrophobicContact CE1-CG2 3.78Å; F223-V266 HydrophobicContact CZ-CG2 3.99Å; V259-V266 HydrophobicContact CG2-CG1 4.1Å; V266-V268 HydrophobicContact CG1-CG1 4.46Å; V266-S277 VanDerWaalsContact O-CA 3.27Å; V266-S277 WeakPolarHBondContact O-CA 3.31Å; V266-W278 HydrophobicContact CB-CD2 4.07Å; V266-W278 HydrophobicContact CB-CE3 4.33Å; V266-W278 HydrophobicContact CB-CH2 4.03Å; V266-W278 HydrophobicContact CB-CZ2 3.74Å; V266-W278 HydrophobicContact CB-CZ3 4.31Å; V266-W278 HydrophobicContact CG1-CE3 4.47Å; V266-W278 HydrophobicContact CG1-CH2 3.42Å; V266-W278 VanDerWaalsContact CG1-CH2 3.42Å; V266-W278 HydrophobicContact CG1-CZ2 3.47Å; V266-W278 VanDerWaalsContact CG1-CZ2 3.47Å; V266-W278 HydrophobicContact CG1-CZ3 3.96Å; V266-W278 HydrophobicContact CG2-CZ2 4.29Å; V266-W278 PolarHBondContact N-O 2.7Å; V266-W278 PolarHBondContact O-N 3.02Å; V266-W278 VanDerWaalsContact O-N 3.13Å
267L98.8Very high98.1Very high0 Ų022.3 Ų22.30%011%0.114CC..EExtended strand (participates in β ladder)trans-119.1146.9166.1-77.758.1000109.9V260 H265 V275 Y276 I329 W348V260-L267 HydrophobicContact CG2-CB 3.82Å; V260-L267 PolarHBondContact N-O 2.98Å; V260-L267 PolarHBondContact O-N 3.14Å; H265-L267 WeakPolarHBondContact CD2-CD1 3.49Å; L267-V275 HydrophobicContact CD2-CG1 4.46Å; L267-V275 HydrophobicContact CG-CG1 4.45Å; L267-Y276 CarbonylContact C-O 3.51Å; L267-Y276 VanDerWaalsContact CA-O 3.3Å; L267-Y276 WeakPolarHBondContact CA-O 3.46Å; L267-I329 HydrophobicContact CB-CD1 3.79Å; L267-W348 HydrophobicContact CD2-CH2 4.01Å; L267-W348 HydrophobicContact CD2-CZ2 3.48Å; L267-W348 VanDerWaalsContact CD2-CZ2 3.48Å; L267-W348 HydrophobicContact CG-CZ2 4.37Å
268V98.6Very high98.1Very high0 Ų019 Ų190%010%0.099CC..EExtended strand (participates in β ladder)trans-130.8147.3168.3-60.80000110.8L214 F251 V256 Q258 V259 V266 V275 Y276 W278L214-V268 HydrophobicContact CD1-CG1 3.74Å; F251-V268 HydrophobicContact CD1-CG2 3.76Å; F251-V268 HydrophobicContact CE1-CG2 3.68Å; V256-V268 HydrophobicContact CG1-CB 3.88Å; V256-V268 HydrophobicContact CG1-CG1 4.11Å; Q258-V268 CarbonylContact O-C 3.49Å; Q258-V268 VanDerWaalsContact O-CA 3.25Å; Q258-V268 WeakPolarHBondContact O-CA 3.5Å; V259-V268 HydrophobicContact CB-CG1 4.2Å; V259-V268 HydrophobicContact CG2-CG1 4.05Å; V266-V268 HydrophobicContact CG1-CG1 4.46Å; V268-V275 VanDerWaalsContact O-CA 3.26Å; V268-V275 WeakPolarHBondContact O-CA 3.27Å; V268-Y276 HydrophobicContact CG2-CD2 4.49Å; V268-Y276 PolarHBondContact N-O 2.98Å; V268-Y276 PolarHBondContact O-N 3.21Å; V268-W278 HydrophobicContact CG1-CH2 3.66Å; V268-W278 HydrophobicContact CG1-CZ3 3.86Å; V268-W278 HydrophobicContact CG2-CH2 4.48Å; V268-W278 HydrophobicContact CG2-CZ3 3.97Å
269R98.6Very high98Very high35 Ų3517 Ų1713%0.1329%0.09CC..EExtended strand (participates in β ladder)trans-112.5131.2169.6-172.9-164.864.583.9-7.8109.6E257 Q258 E274 V326 K327 I329E257-R269 VanDerWaalsContact CB-NH2 3.29Å; E257-R269 PolarHBondContact N-O 3.47Å; E257-R269 IonicContact OE2-CZ 3.77Å; E257-R269 VanDerWaalsContact OE2-CZ 3.24Å; E257-R269 IonicContact OE2-NH1 2.69Å; E257-R269 PolarHBondContact OE2-NH1 3.31Å; E257-R269 IonicContact OE2-NH2 3.24Å; E257-R269 PolarHBondContact OE2-NH2 3.33Å; Q258-R269 HydrophobicContact CB-CB 4.07Å; Q258-R269 PolarHBondContact N-O 3.32Å; Q258-R269 PolarHBondContact O-N 2.7Å; R269-E274 CarbonylContact C-O 3.59Å; R269-E274 VanDerWaalsContact CA-O 3.3Å; R269-E274 WeakPolarHBondContact CA-O 3.44Å; R269-V326 WeakPolarHBondContact CD-O 3.35Å; R269-V326 HydrophobicContact CG-CG1 4.45Å; R269-K327 WeakPolarHBondContact CD-O 3.49Å; R269-K327 PolarHBondContact NE-O 2.84Å; R269-K327 VanDerWaalsContact NE-O 3.14Å; R269-I329 HydrophobicContact CB-CD1 3.99Å; R269-I329 HydrophobicContact CB-CG1 4.28Å
270T98.3Very high97.7Very high0 Ų019.4 Ų19.40%010%0.098CC..EExtended strand (participates in β ladder)trans-88.3168.2175.574.30000112.1F251 N254 K255 V272 G273 E274 Y276F251-T270 HydrophobicContact CB-CG2 4.18Å; N254-T270 HydrophobicContact CB-CG2 4.02Å; K255-T270 CarbonylContact O-C 3.6Å; K255-T270 WeakPolarHBondContact O-CA 3.41Å; T270-V272 PolarHBondContact O-N 2.94Å; T270-V272 WeakPolarHBondContact OG1-CG2 3.42Å; T270-G273 WeakPolarHBondContact O-CA 3.45Å; T270-G273 PolarHBondContact O-N 2.6Å; T270-E274 HydrophobicContact CG2-CB 4.33Å; T270-E274 PolarHBondContact N-O 2.97Å; T270-E274 WeakPolarHBondContact OG1-CB 3.22Å; T270-E274 PolarHBondContact OG1-N 2.77Å; T270-Y276 HydrophobicContact CG2-CD2 4.08Å; T270-Y276 HydrophobicContact CG2-CE2 3.88Å
271S97.2Very high97.5Very high53 Ų5319.1 Ų19.137%0.37110%0.097SC..THydrogen-bonded Turntrans-64.7-22178.955.90000114.1K255 E257 G273K255-S271 PolarHBondContact O-N 2.85Å; E257-S271 VanDerWaalsContact CD-CA 3.43Å; E257-S271 WeakPolarHBondContact OE1-CB 3.47Å; S271-G273 VanDerWaalsContact C-N 3.3Å
272V97.4Very high97.1Very high71 Ų7120.4 Ų20.443%0.4310%0.103SC..THydrogen-bonded Turntrans-90.53.2173.5-62.50000112.3N254 T270 E274N254-V272 HydrophobicContact CB-CG2 4.09Å; N254-V272 WeakPolarHBondContact ND2-CG2 3.29Å; T270-V272 PolarHBondContact O-N 2.94Å; T270-V272 WeakPolarHBondContact OG1-CG2 3.42Å; V272-E274 HydrophobicContact CG2-CB 4.45Å; V272-E274 HydrophobicContact CG2-CG 3.78Å; V272-E274 WeakPolarHBondContact CG2-OE2 3.33Å
273G97.9Very high96.9Very high1 Ų122.9 Ų22.91%0.0111%0.113CC..SBendtrans79.718.8177.500000114.8T270 S271 V326T270-G273 WeakPolarHBondContact O-CA 3.45Å; T270-G273 PolarHBondContact O-N 2.6Å; S271-G273 VanDerWaalsContact C-N 3.3Å; G273-V326 WeakPolarHBondContact CA-O 3.2Å; G273-V326 WeakPolarHBondContact O-CB 3.37Å; G273-V326 PolarHBondContact O-N 2.96Å
274E98.1Very high96.7Very high34 Ų3419.5 Ų19.516%0.15910%0.104CC..  trans-78.7148.7169.8-62.2168.5131.200110.2N254 R269 T270 V272 Y276 K313N254-E274 PolarHBondContact ND2-OE2 3.29Å; R269-E274 CarbonylContact C-O 3.59Å; R269-E274 VanDerWaalsContact CA-O 3.3Å; R269-E274 WeakPolarHBondContact CA-O 3.44Å; T270-E274 HydrophobicContact CG2-CB 4.33Å; T270-E274 PolarHBondContact N-O 2.97Å; T270-E274 WeakPolarHBondContact OG1-CB 3.22Å; T270-E274 PolarHBondContact OG1-N 2.77Å; V272-E274 HydrophobicContact CG2-CB 4.45Å; V272-E274 HydrophobicContact CG2-CG 3.78Å; V272-E274 WeakPolarHBondContact CG2-OE2 3.33Å; E274-Y276 HydrophobicContact CB-CD2 4.47Å; E274-Y276 HydrophobicContact CB-CE2 3.87Å; E274-K313 WeakPolarHBondContact OE1-CE 3.48Å; E274-K313 IonicContact OE1-NZ 3.7Å; E274-K313 PolarHBondContact OE1-NZ 2.99Å
275V98.6Very high96.8Very high1 Ų119.1 Ų19.11%0.00610%0.101CC..EExtended strand (participates in β ladder)trans-115.2135.2174.5179.60000109.6L267 V268 K313 V314 F316 V326 I329L267-V275 HydrophobicContact CD2-CG1 4.46Å; L267-V275 HydrophobicContact CG-CG1 4.45Å; V268-V275 VanDerWaalsContact O-CA 3.26Å; V268-V275 WeakPolarHBondContact O-CA 3.27Å; V275-K313 WeakPolarHBondContact O-CA 3.44Å; V275-V314 HydrophobicContact CB-CB 4.22Å; V275-V314 HydrophobicContact CG1-CB 4.2Å; V275-V314 HydrophobicContact CG1-CG2 4.14Å; V275-V314 PolarHBondContact O-N 3.43Å; V275-F316 HydrophobicContact CB-CE2 3.94Å; V275-F316 HydrophobicContact CB-CZ 4.18Å; V275-F316 HydrophobicContact CG2-CE2 3.92Å; V275-F316 HydrophobicContact CG2-CZ 3.99Å; V275-V326 HydrophobicContact CG2-CB 3.75Å; V275-V326 HydrophobicContact CG2-CG1 3.78Å; V275-V326 HydrophobicContact CG2-CG2 3.7Å; V275-I329 HydrophobicContact CG1-CG2 4.34Å; V275-I329 HydrophobicContact CG2-CG2 3.8Å
276Y98.4Very high96.8Very high23 Ų2319.1 Ų19.19%0.0910%0.101CC..EExtended strand (participates in β ladder)trans-121.5145.3172-66.1-109.1000109.5L250 F251 L267 V268 T270 E274 P311 G312 K313L250-Y276 WeakPolarHBondContact O-CE1 3.5Å; F251-Y276 HydrophobicContact CB-CE2 4.37Å; F251-Y276 HydrophobicContact CD1-CD1 4.29Å; F251-Y276 HydrophobicContact CD1-CD2 4.19Å; F251-Y276 AromaticContact CD1-CG 3.97Å; F251-Y276 HydrophobicContact CD1-CG 3.97Å; L267-Y276 CarbonylContact C-O 3.51Å; L267-Y276 VanDerWaalsContact CA-O 3.3Å; L267-Y276 WeakPolarHBondContact CA-O 3.46Å; V268-Y276 HydrophobicContact CG2-CD2 4.49Å; V268-Y276 PolarHBondContact N-O 2.98Å; V268-Y276 PolarHBondContact O-N 3.21Å; T270-Y276 HydrophobicContact CG2-CD2 4.08Å; T270-Y276 HydrophobicContact CG2-CE2 3.88Å; E274-Y276 HydrophobicContact CB-CD2 4.47Å; E274-Y276 HydrophobicContact CB-CE2 3.87Å; Y276-P311 HydrophobicContact CD1-CB 4.43Å; Y276-G312 CarbonylContact C-O 3.56Å; Y276-G312 VanDerWaalsContact CA-O 3.29Å; Y276-G312 WeakPolarHBondContact CA-O 3.23Å; Y276-K313 HydrophobicContact CD1-CB 4.17Å; Y276-K313 HydrophobicContact CE1-CB 3.9Å
277S98.4Very high96.7Very high0 Ų019.2 Ų19.20%010%0.102CC..EExtended strand (participates in β ladder)trans-137.1147.6-179.866.90000112.1V266 L286 R288 G312 V314V266-S277 VanDerWaalsContact O-CA 3.27Å; V266-S277 WeakPolarHBondContact O-CA 3.31Å; S277-L286 WeakPolarHBondContact CB-O 3.3Å; S277-L286 PolarHBondContact OG-O 2.86Å; S277-R288 PolarHBondContact O-NE 2.84Å; S277-R288 VanDerWaalsContact O-NE 3.1Å; S277-R288 PolarHBondContact O-NH2 3.47Å; S277-R288 PolarHBondContact OG-NE 3.1Å; S277-G312 PolarHBondContact N-O 2.8Å; S277-G312 PolarHBondContact O-N 3.13Å; S277-V314 VanDerWaalsContact OG-CG2 3.3Å; S277-V314 WeakPolarHBondContact OG-CG2 3.43Å
278W97Very high96.6Very high0 Ų021 Ų210%011%0.109CC..EExtended strand (participates in β ladder)trans-159.3166.8173.468.5107000111.3L214 F223 Y246 F251 H265 V266 V268 D308 Y310 P311L214-W278 HydrophobicContact CD1-CH2 3.93Å; F223-W278 AromaticContact CD1-CD1 3.54Å; F223-W278 AromaticContact CD1-NE1 3.68Å; Y246-W278 HydrophobicContact CD2-CZ2 4.42Å; Y246-W278 HydrophobicContact CE1-CZ2 4.47Å; Y246-W278 AromaticContact CE1-NE1 3.72Å; Y246-W278 HydrophobicContact CE2-CZ2 4.27Å; Y246-W278 AromaticContact CZ-NE1 3.38Å; Y246-W278 PolarHBondContact OH-NE1 3.42Å; F251-W278 HydrophobicContact CE1-CH2 4.2Å; F251-W278 AromaticContact CE1-CZ3 3.98Å; F251-W278 HydrophobicContact CE1-CZ3 3.98Å; F251-W278 HydrophobicContact CZ-CH2 4.22Å; F251-W278 HydrophobicContact CZ-CZ3 4.45Å; H265-W278 CarbonylContact C-O 3.6Å; H265-W278 WeakPolarHBondContact CA-O 3.22Å; H265-W278 WeakPolarHBondContact CB-O 3.41Å; V266-W278 HydrophobicContact CB-CD2 4.07Å; V266-W278 HydrophobicContact CB-CE3 4.33Å; V266-W278 HydrophobicContact CB-CH2 4.03Å; V266-W278 HydrophobicContact CB-CZ2 3.74Å; V266-W278 HydrophobicContact CB-CZ3 4.31Å; V266-W278 HydrophobicContact CG1-CE3 4.47Å; V266-W278 HydrophobicContact CG1-CH2 3.42Å; V266-W278 VanDerWaalsContact CG1-CH2 3.42Å; V266-W278 HydrophobicContact CG1-CZ2 3.47Å; V266-W278 VanDerWaalsContact CG1-CZ2 3.47Å; V266-W278 HydrophobicContact CG1-CZ3 3.96Å; V266-W278 HydrophobicContact CG2-CZ2 4.29Å; V266-W278 PolarHBondContact N-O 2.7Å; V266-W278 PolarHBondContact O-N 3.02Å; V266-W278 VanDerWaalsContact O-N 3.13Å; V268-W278 HydrophobicContact CG1-CH2 3.66Å; V268-W278 HydrophobicContact CG1-CZ3 3.86Å; V268-W278 HydrophobicContact CG2-CH2 4.48Å; V268-W278 HydrophobicContact CG2-CZ3 3.97Å; W278-D308 WeakPolarHBondContact CB-O 3.4Å; W278-Y310 VanDerWaalsContact CB-O 3.27Å; W278-Y310 WeakPolarHBondContact CB-O 3.26Å; W278-P311 HydrophobicContact CD2-CB 4.31Å; W278-P311 HydrophobicContact CD2-CG 3.89Å; W278-P311 HydrophobicContact CE3-CB 3.79Å; W278-P311 HydrophobicContact CE3-CG 3.79Å; W278-P311 HydrophobicContact CG-CG 4.35Å; W278-P311 HydrophobicContact CH2-CG 4.48Å; W278-P311 HydrophobicContact CZ3-CB 4.17Å; W278-P311 HydrophobicContact CZ3-CG 4.11Å
279G95.6Very high96.1Very high0 Ų026 Ų260%014%0.139CC..EExtended strand (participates in β ladder)trans115-151.3-172.600000112F307 D308G279-F307 CarbonylContact O-C 3.52Å; G279-F307 WeakPolarHBondContact O-CA 3.47Å; G279-F307 VanDerWaalsContact O-CB 3.27Å; G279-F307 WeakPolarHBondContact O-CB 3.43Å; G279-D308 PolarHBondContact N-O 2.91Å; G279-D308 PolarHBondContact O-N 3.17Å
280R94.2Very high95.5Very high56 Ų5625.4 Ų25.421%0.21114%0.14CC..EExtended strand (participates in β ladder)trans-63148178.6-168.9-176-178.4-173.9-2111.5F222 S264 D282 Q285 L286 P305F222-R280 HydrophobicContact CD1-CB 4.39Å; F222-R280 HydrophobicContact CD2-CB 3.96Å; F222-R280 HydrophobicContact CE2-CB 4.19Å; F222-R280 HydrophobicContact CE2-CG 4.49Å; F222-R280 HydrophobicContact CG-CB 4.06Å; F222-R280 HydrophobicContact CZ-CG 4.4Å; S264-R280 PolarHBondContact O-N 3.29Å; S264-R280 VanDerWaalsContact OG-CB 3.3Å; S264-R280 WeakPolarHBondContact OG-CB 3.23Å; S264-R280 WeakPolarHBondContact OG-CD 3.06Å; R280-D282 IonicContact CZ-OD2 2.79Å; R280-D282 VanDerWaalsContact CZ-OD2 3.27Å; R280-D282 IonicContact NE-OD2 3.59Å; R280-D282 PolarHBondContact NE-OD2 3.27Å; R280-D282 IonicContact NH2-OD2 3.97Å; R280-D282 PolarHBondContact NH2-OD2 2.98Å; R280-Q285 VanDerWaalsContact C-NE2 3.32Å; R280-Q285 WeakPolarHBondContact O-CG 3.35Å; R280-Q285 PolarHBondContact O-NE2 2.87Å; R280-Q285 VanDerWaalsContact O-NE2 3.14Å; R280-L286 VanDerWaalsContact O-CD2 3.31Å; R280-L286 WeakPolarHBondContact O-CD2 3.44Å; R280-L286 WeakPolarHBondContact O-CG 3.22Å; R280-P305 HydrophobicContact CG-CB 4.27Å
281S93.8Very high94.2Very high18 Ų1832.9 Ų32.913%0.12618%0.18CC..  trans-133.16-173.664.20000116.2F283 G284 Q285 N306 F307S281-F283 VanDerWaalsContact C-N 3.27Å; S281-F283 PolarHBondContact O-N 2.85Å; S281-G284 PolarHBondContact O-N 3.49Å; S281-Q285 VanDerWaalsContact C-OE1 3.26Å; S281-N306 PolarHBondContact N-O 3.36Å; S281-N306 VanDerWaalsContact OG-C 3.27Å; S281-N306 WeakPolarHBondContact OG-CB 3.31Å; S281-N306 PolarHBondContact OG-O 3.08Å; S281-F307 PolarHBondContact OG-N 2.97Å
282D90.8Very high92.8Very high43 Ų4333.6 Ų33.623%0.2318%0.179CC..THydrogen-bonded Turntrans-61.2-29.9-171.5-66.9-46.9000114.7R280 P305 N306R280-D282 IonicContact CZ-OD2 2.79Å; R280-D282 VanDerWaalsContact CZ-OD2 3.27Å; R280-D282 IonicContact NE-OD2 3.59Å; R280-D282 PolarHBondContact NE-OD2 3.27Å; R280-D282 IonicContact NH2-OD2 3.97Å; R280-D282 PolarHBondContact NH2-OD2 2.98Å; D282-P305 WeakPolarHBondContact OD2-CA 3.36Å; D282-P305 VanDerWaalsContact OD2-CB 3.22Å; D282-P305 WeakPolarHBondContact OD2-CB 3.37Å; D282-N306 WeakPolarHBondContact OD1-CB 3.18Å; D282-N306 PolarHBondContact OD1-N 3.17Å; D282-N306 PolarHBondContact OD1-ND2 3.09Å
283F93Very high90.6Very high55 Ų5537.6 Ų37.624%0.24120%0.197CC..THydrogen-bonded Turntrans-111.821.8-175-53.4-67000112S281 Q285 E334 G349 W350 Y378S281-F283 VanDerWaalsContact C-N 3.27Å; S281-F283 PolarHBondContact O-N 2.85Å; F283-Q285 PolarHBondContact O-N 2.82Å; F283-E334 HydrophobicContact CD2-CB 4.29Å; F283-E334 HydrophobicContact CD2-CG 4.29Å; F283-G349 CarbonylContact O-C 3.57Å; F283-G349 WeakPolarHBondContact O-CA 3.41Å; F283-W350 HydrophobicContact CB-CB 3.89Å; F283-W350 HydrophobicContact CB-CG 4.42Å; F283-W350 AromaticContact CD1-CD1 3.94Å; F283-W350 HydrophobicContact CG-CB 4.36Å; F283-W350 HydrophobicContact CG-CG 4.43Å; F283-W350 PolarHBondContact O-N 2.92Å; F283-Y378 VanDerWaalsContact O-CB 3.28Å; F283-Y378 WeakPolarHBondContact O-CB 3.24Å
284G94.2Very high88.3Confident11 Ų1141.9 Ų41.911%0.11323%0.227CC..SBendtrans69.910.5-178.300000114.4S281 L286 G287S281-G284 PolarHBondContact O-N 3.49Å; G284-L286 PolarHBondContact O-N 2.77Å; G284-G287 PolarHBondContact O-N 2.98Å
285Q97.3Very high86.1Confident0 Ų047.9 Ų47.90%025%0.252CS..THydrogen-bonded Turntrans-61.5-18.6-174.866.1-95.448.500114.3H265 R280 S281 F283 E334 W348H265-Q285 HydrophobicContact CB-CG 4.04Å; H265-Q285 PolarHBondContact CD2-O 2.93Å; R280-Q285 VanDerWaalsContact C-NE2 3.32Å; R280-Q285 WeakPolarHBondContact O-CG 3.35Å; R280-Q285 PolarHBondContact O-NE2 2.87Å; R280-Q285 VanDerWaalsContact O-NE2 3.14Å; S281-Q285 VanDerWaalsContact C-OE1 3.26Å; F283-Q285 PolarHBondContact O-N 2.82Å; Q285-E334 VanDerWaalsContact CB-O 3.22Å; Q285-E334 WeakPolarHBondContact CB-O 3.45Å; Q285-E334 PolarHBondContact NE2-OE2 2.71Å; Q285-W348 PolarHBondContact O-NE1 2.81Å
286L97.8Very high83.5Confident1 Ų153.7 Ų53.71%0.00528%0.278CS..THydrogen-bonded Turntrans-77.8-18.6172.8-58.3-165.4000113H265 S277 R280 G284 R288 V290 D308 V314H265-L286 HydrophobicContact CB-CD2 3.74Å; S277-L286 WeakPolarHBondContact CB-O 3.3Å; S277-L286 PolarHBondContact OG-O 2.86Å; R280-L286 VanDerWaalsContact O-CD2 3.31Å; R280-L286 WeakPolarHBondContact O-CD2 3.44Å; R280-L286 WeakPolarHBondContact O-CG 3.22Å; G284-L286 PolarHBondContact O-N 2.77Å; L286-R288 HydrophobicContact CB-CG 4.12Å; L286-R288 PolarHBondContact O-N 3.13Å; L286-V290 HydrophobicContact CD1-CG2 3.83Å; L286-D308 HydrophobicContact CD1-CB 4.01Å; L286-V314 WeakPolarHBondContact O-CG2 3.5Å
287G97Very high81.1Confident2 Ų258.7 Ų58.72%0.02131%0.305CS..  trans65.623.1178.100000113.8G284 W348 T380 P382G284-G287 PolarHBondContact O-N 2.98Å; G287-W348 VanDerWaalsContact N-CD1 3.27Å; G287-T380 CarbonylContact C-O 3.54Å; G287-T380 WeakPolarHBondContact CA-O 3.43Å; G287-P382 WeakPolarHBondContact O-CD 3.45Å
288R95.4Very high78.8Confident36 Ų3659.2 Ų59.214%0.13631%0.31CS..SBendtrans-152155.5-178.562-178.1178.982.1-6.1110.1S277 L286 V290 D308 Y310 G312 K313 T380S277-R288 PolarHBondContact O-NE 2.84Å; S277-R288 VanDerWaalsContact O-NE 3.1Å; S277-R288 PolarHBondContact O-NH2 3.47Å; S277-R288 PolarHBondContact OG-NE 3.1Å; L286-R288 HydrophobicContact CB-CG 4.12Å; L286-R288 PolarHBondContact O-N 3.13Å; R288-V290 PolarHBondContact O-N 2.86Å; R288-D308 IonicContact CZ-OD2 2.9Å; R288-D308 VanDerWaalsContact CZ-OD2 3.25Å; R288-D308 IonicContact NH1-OD2 3.96Å; R288-D308 PolarHBondContact NH1-OD2 2.92Å; R288-D308 IonicContact NH2-OD2 2.71Å; R288-D308 PolarHBondContact NH2-OD2 2.89Å; R288-Y310 PolarHBondContact NH2-O 2.75Å; R288-G312 WeakPolarHBondContact CD-O 3.41Å; R288-G312 PolarHBondContact NE-O 2.85Å; R288-K313 WeakPolarHBondContact CD-O 3.38Å; R288-T380 PolarHBondContact N-O 3.14Å
289T88.7Confident76.5Confident105 Ų10570.3 Ų70.364%0.64436%0.359SS*.  trans-64.2130171.3-52.10000109.4
290V85.8Confident74.5Confident24 Ų2474 Ų7415%0.14538%0.384CS..  trans-112119.3176.9-178.90000108.5L286 R288 I292 D308L286-V290 HydrophobicContact CD1-CG2 3.83Å; R288-V290 PolarHBondContact O-N 2.86Å; V290-I292 HydrophobicContact CB-CG1 4.43Å; V290-I292 HydrophobicContact CG1-CG1 3.95Å; V290-I292 PolarHBondContact O-N 3.37Å; V290-D308 HydrophobicContact CG1-CB 3.74Å; V290-D308 HydrophobicContact CG2-CB 4.41Å
291N72.7Confident72.4Confident156 Ų15677.8 Ų77.883%0.83441%0.409SS*.  trans-77.592.6172-77.3-21.1000109.3L293N291-L293 PolarHBondContact O-N 3.34Å
292I66Low70.3Confident68 Ų6882.6 Ų82.635%0.34943%0.429SS..  trans-79.1103.2177.5-54.1151.9000107.8V290 S294 N306V290-I292 HydrophobicContact CB-CG1 4.43Å; V290-I292 HydrophobicContact CG1-CG1 3.95Å; V290-I292 PolarHBondContact O-N 3.37Å; I292-S294 PolarHBondContact O-N 2.63Å; I292-N306 HydrophobicContact CD1-CB 3.63Å; I292-N306 WeakPolarHBondContact CD1-OD1 3.47Å; I292-N306 HydrophobicContact CG1-CB 4.22Å
293L52.4Low68.8Low156 Ų15687.8 Ų87.882%0.81746%0.456SS*.  trans-63.5103166-74.8162.6000107.9N291N291-L293 PolarHBondContact O-N 3.34Å
294S49.8Very low67.6Low91 Ų9189.5 Ų89.564%0.63646%0.463SS*.  trans41.9125.7175.353.20000117.5I292 F296I292-S294 PolarHBondContact O-N 2.63Å; S294-F296 PolarHBondContact O-N 3.33Å
295K51Low66.9Low160 Ų16090.7 Ų90.770%0.69647%0.469SS*.  trans-53.8111.6167-81.1-178.5178177.70108.3I297K295-I297 PolarHBondContact O-N 2.71Å; K295-I297 VanDerWaalsContact O-N 3.12Å
296F45.3Very low66.4Low123 Ų12392.3 Ų92.354%0.53948%0.478SS..  trans-74.2106.1176.8-148.1-88000106.7S294 G298S294-F296 PolarHBondContact O-N 3.33Å; F296-G298 PolarHBondContact O-N 2.81Å
297I46.9Very low66.1Low127 Ų12793.4 Ų93.465%0.65148%0.482SS*.BIsolated β-bridgetrans-77.5105167.6-57.3174.8000104.9K295K295-I297 PolarHBondContact O-N 2.71Å; K295-I297 VanDerWaalsContact O-N 3.12Å
298G50.4Low65.8Low12 Ų1295 Ų9512%0.12449%0.49CS..  trans-58.6164.8174.800000111.4F296 S300 N301F296-G298 PolarHBondContact O-N 2.81Å; G298-S300 PolarHBondContact O-N 2.87Å; G298-N301 PolarHBondContact O-N 2.94Å; G298-N301 VanDerWaalsContact O-N 3.15Å
299K49.5Very low65.6Low233 Ų23393.8 Ų93.8100%1.01349%0.488SS*.THydrogen-bonded Turntrans-55.1-15.3177.3-74.2-175.5177178.40113.9
300S52.3Low65.7Low77 Ų7794.4 Ų94.454%0.53848%0.479SS..THydrogen-bonded Turntrans-112.614.9-176.152.60000115.1G298 E302G298-S300 PolarHBondContact O-N 2.87Å; S300-E302 PolarHBondContact O-N 2.96Å; S300-E302 WeakPolarHBondContact OG-CG 3.25Å
301N51.1Low66.1Low135 Ų13594.1 Ų94.172%0.72248%0.478SS*.  trans59.315.1-169.1-72.1-19.9000114.5G298 I303G298-N301 PolarHBondContact O-N 2.94Å; G298-N301 VanDerWaalsContact O-N 3.15Å; N301-I303 PolarHBondContact O-N 2.79Å; N301-I303 VanDerWaalsContact O-N 3.13Å
302E49.8Very low67.2Low119 Ų11987.4 Ų87.456%0.55645%0.445SS*.  trans-66.1114.2171.8-80.3178.6-175.600110S300 F304S300-E302 PolarHBondContact O-N 2.96Å; S300-E302 WeakPolarHBondContact OG-CG 3.25Å; E302-F304 HydrophobicContact CB-CE2 4.34Å; E302-F304 PolarHBondContact O-N 3.45Å; E302-F304 VanDerWaalsContact O-N 3.17Å
303I58.3Low68.7Low153 Ų15386.5 Ų86.579%0.78544%0.439SS*.BIsolated β-bridgetrans-74.1102.8171.6-59174.9000106.9N301N301-I303 PolarHBondContact O-N 2.79Å; N301-I303 VanDerWaalsContact O-N 3.13Å
304F67.1Low70.8Confident90 Ų9079.2 Ų79.240%0.39540%0.401SS..PPolyproline II helixtrans-70.7136.7173.2-89.7-92000110.5L232 E302L232-F304 HydrophobicContact CD1-CZ 4.29Å; E302-F304 HydrophobicContact CB-CE2 4.34Å; E302-F304 PolarHBondContact O-N 3.45Å; E302-F304 VanDerWaalsContact O-N 3.17Å
305P80.6Confident73Confident37 Ų3779.7 Ų79.724%0.2439%0.393CS..PPolyproline II helixtrans-46.3144.1168.1-32.738.6000112.3F222 R280 D282 F307F222-P305 HydrophobicContact CE1-CB 3.75Å; F222-P305 HydrophobicContact CE1-CG 4.01Å; F222-P305 HydrophobicContact CZ-CB 4.22Å; F222-P305 HydrophobicContact CZ-CG 4.2Å; R280-P305 HydrophobicContact CG-CB 4.27Å; D282-P305 WeakPolarHBondContact OD2-CA 3.36Å; D282-P305 VanDerWaalsContact OD2-CB 3.22Å; D282-P305 WeakPolarHBondContact OD2-CB 3.37Å; P305-F307 WeakPolarHBondContact O-CD1 3.42Å
306N87.6Confident75.1Confident34 Ų3472.9 Ų72.918%0.18236%0.363CS..PPolyproline II helixtrans-73.5141.4169.7-56.5-67.9000109.6S281 D282 I292S281-N306 PolarHBondContact N-O 3.36Å; S281-N306 VanDerWaalsContact OG-C 3.27Å; S281-N306 WeakPolarHBondContact OG-CB 3.31Å; S281-N306 PolarHBondContact OG-O 3.08Å; D282-N306 WeakPolarHBondContact OD1-CB 3.18Å; D282-N306 PolarHBondContact OD1-N 3.17Å; D282-N306 PolarHBondContact OD1-ND2 3.09Å; I292-N306 HydrophobicContact CD1-CB 3.63Å; I292-N306 WeakPolarHBondContact CD1-OD1 3.47Å; I292-N306 HydrophobicContact CG1-CB 4.22Å
307F89.9Confident77.2Confident24 Ų2472.9 Ų72.911%0.10536%0.364CS..EExtended strand (participates in β ladder)trans-155.3158.4178.369.2-89.3000111.1F222 K226 G279 S281 P305 A309F222-F307 HydrophobicContact CB-CB 4.03Å; F222-F307 HydrophobicContact CB-CD2 4.46Å; F222-F307 HydrophobicContact CB-CG 4.32Å; F222-F307 HydrophobicContact CD1-CB 3.96Å; F222-F307 HydrophobicContact CD1-CD1 4.06Å; F222-F307 HydrophobicContact CD1-CG 4.09Å; F222-F307 HydrophobicContact CG-CB 4.36Å; F222-F307 WeakPolarHBondContact O-CD2 3.44Å; K226-F307 HydrophobicContact CD-CE1 4.38Å; K226-F307 HydrophobicContact CD-CZ 4.11Å; K226-F307 VanDerWaalsContact CE-CZ 3.46Å; K226-F307 HydrophobicContact CG-CE1 4.21Å; K226-F307 HydrophobicContact CG-CE2 4.32Å; K226-F307 HydrophobicContact CG-CZ 3.52Å; G279-F307 CarbonylContact O-C 3.52Å; G279-F307 WeakPolarHBondContact O-CA 3.47Å; G279-F307 VanDerWaalsContact O-CB 3.27Å; G279-F307 WeakPolarHBondContact O-CB 3.43Å; S281-F307 PolarHBondContact OG-N 2.97Å; P305-F307 WeakPolarHBondContact O-CD1 3.42Å; F307-A309 HydrophobicContact CD2-CB 4.46Å; F307-A309 HydrophobicContact CE2-CB 4.33Å
308D91.4Very high79.1Confident35 Ų3568.2 Ų68.219%0.18734%0.341CS..EExtended strand (participates in β ladder)trans-122.3117.4167.1-167.6-9.2000108.8W278 G279 L286 R288 V290 Y310W278-D308 WeakPolarHBondContact CB-O 3.4Å; G279-D308 PolarHBondContact N-O 2.91Å; G279-D308 PolarHBondContact O-N 3.17Å; L286-D308 HydrophobicContact CD1-CB 4.01Å; R288-D308 IonicContact CZ-OD2 2.9Å; R288-D308 VanDerWaalsContact CZ-OD2 3.25Å; R288-D308 IonicContact NH1-OD2 3.96Å; R288-D308 PolarHBondContact NH1-OD2 2.92Å; R288-D308 IonicContact NH2-OD2 2.71Å; R288-D308 PolarHBondContact NH2-OD2 2.89Å; V290-D308 HydrophobicContact CG1-CB 3.74Å; V290-D308 HydrophobicContact CG2-CB 4.41Å; D308-Y310 VanDerWaalsContact C-N 3.25Å; D308-Y310 PolarHBondContact O-N 3.24Å; D308-Y310 PolarHBondContact OD1-N 2.94Å; D308-Y310 VanDerWaalsContact OD1-N 3.09Å
309A90.5Very high80.6Confident10 Ų1076.1 Ų76.18%0.08338%0.38CS..EExtended strand (participates in β ladder)trans-75.8-16.7-178.800000112.8F307F307-A309 HydrophobicContact CD2-CB 4.46Å; F307-A309 HydrophobicContact CE2-CB 4.33Å
310Y91Very high82.3Confident119 Ų11970 Ų7047%0.46736%0.359SS..EExtended strand (participates in β ladder)trans-100.6137.8-174.5-68.8-82.1000112.3L225 W278 R288 D308 G312L225-Y310 HydrophobicContact CD1-CE2 4.18Å; L225-Y310 WeakPolarHBondContact CD1-OH 3.3Å; L225-Y310 HydrophobicContact CD2-CE2 3.6Å; L225-Y310 WeakPolarHBondContact CD2-OH 3.33Å; L225-Y310 HydrophobicContact CG-CE2 3.85Å; L225-Y310 WeakPolarHBondContact CG-OH 3.49Å; W278-Y310 VanDerWaalsContact CB-O 3.27Å; W278-Y310 WeakPolarHBondContact CB-O 3.26Å; R288-Y310 PolarHBondContact NH2-O 2.75Å; D308-Y310 VanDerWaalsContact C-N 3.25Å; D308-Y310 PolarHBondContact O-N 3.24Å; D308-Y310 PolarHBondContact OD1-N 2.94Å; D308-Y310 VanDerWaalsContact OD1-N 3.09Å; Y310-G312 PolarHBondContact O-N 2.79Å
311P95.5Very high83.8Confident17 Ų1769.6 Ų69.611%0.1137%0.366CS..EExtended strand (participates in β ladder)trans-53.4121.7168.6-25.434.7000111.4Y246 L250 F251 Y276 W278Y246-P311 HydrophobicContact CD1-CG 3.79Å; Y246-P311 HydrophobicContact CE1-CG 4.13Å; L250-P311 HydrophobicContact CB-CG 4.27Å; L250-P311 HydrophobicContact CD1-CG 4.29Å; F251-P311 HydrophobicContact CD1-CB 4.26Å; F251-P311 HydrophobicContact CE1-CB 3.64Å; F251-P311 HydrophobicContact CE1-CG 3.78Å; F251-P311 HydrophobicContact CZ-CB 4.43Å; F251-P311 HydrophobicContact CZ-CG 4.08Å; Y276-P311 HydrophobicContact CD1-CB 4.43Å; W278-P311 HydrophobicContact CD2-CB 4.31Å; W278-P311 HydrophobicContact CD2-CG 3.89Å; W278-P311 HydrophobicContact CE3-CB 3.79Å; W278-P311 HydrophobicContact CE3-CG 3.79Å; W278-P311 HydrophobicContact CG-CG 4.35Å; W278-P311 HydrophobicContact CH2-CG 4.48Å; W278-P311 HydrophobicContact CZ3-CB 4.17Å; W278-P311 HydrophobicContact CZ3-CG 4.11Å
312G95.6Very high85.4Confident15 Ų1569.2 Ų69.216%0.15536%0.36CS..EExtended strand (participates in β ladder)trans-123.1140.7173.100000110.7Y276 S277 R288 Y310Y276-G312 CarbonylContact C-O 3.56Å; Y276-G312 VanDerWaalsContact CA-O 3.29Å; Y276-G312 WeakPolarHBondContact CA-O 3.23Å; S277-G312 PolarHBondContact N-O 2.8Å; S277-G312 PolarHBondContact O-N 3.13Å; R288-G312 WeakPolarHBondContact CD-O 3.41Å; R288-G312 PolarHBondContact NE-O 2.85Å; Y310-G312 PolarHBondContact O-N 2.79Å
313K96.5Very high87.2Confident50 Ų5070.3 Ų70.322%0.21737%0.365CS..EExtended strand (participates in β ladder)trans-64.9135.3-179.7-170.5169.8174176.20110.2E274 V275 Y276 R288 E323E274-K313 WeakPolarHBondContact OE1-CE 3.48Å; E274-K313 IonicContact OE1-NZ 3.7Å; E274-K313 PolarHBondContact OE1-NZ 2.99Å; V275-K313 WeakPolarHBondContact O-CA 3.44Å; Y276-K313 HydrophobicContact CD1-CB 4.17Å; Y276-K313 HydrophobicContact CE1-CB 3.9Å; R288-K313 WeakPolarHBondContact CD-O 3.38Å; K313-E323 IonicContact NZ-OE1 3.32Å; K313-E323 PolarHBondContact NZ-OE1 2.63Å
314V97.7Very high88.9Confident2 Ų263.7 Ų63.71%0.01233%0.332CS..EExtended strand (participates in β ladder)trans-93.2126.1173.61780000107.8V275 S277 L286 F316 W348 P382V275-V314 HydrophobicContact CB-CB 4.22Å; V275-V314 HydrophobicContact CG1-CB 4.2Å; V275-V314 HydrophobicContact CG1-CG2 4.14Å; V275-V314 PolarHBondContact O-N 3.43Å; S277-V314 VanDerWaalsContact OG-CG2 3.3Å; S277-V314 WeakPolarHBondContact OG-CG2 3.43Å; L286-V314 WeakPolarHBondContact O-CG2 3.5Å; V314-F316 HydrophobicContact CB-CE2 4.27Å; V314-F316 HydrophobicContact CG1-CE2 3.9Å; V314-F316 HydrophobicContact CG1-CZ 3.92Å; V314-W348 HydrophobicContact CG1-CZ2 4.47Å; V314-P382 HydrophobicContact CG1-CG 3.37Å
315H95.4Very high90.4Very high101 Ų10162.6 Ų62.647%0.46833%0.332SS..PPolyproline II helixtrans-102.2129.1-178.2-66.6-84.4000110.5
316F95.4Very high91.2Very high18 Ų1860.9 Ų60.98%0.07932%0.321CS..  trans-107.3113.6177.6-60.2-96.3000107.7V275 V314 V324 V326 A338 W346 W348 P382V275-F316 HydrophobicContact CB-CE2 3.94Å; V275-F316 HydrophobicContact CB-CZ 4.18Å; V275-F316 HydrophobicContact CG2-CE2 3.92Å; V275-F316 HydrophobicContact CG2-CZ 3.99Å; V314-F316 HydrophobicContact CB-CE2 4.27Å; V314-F316 HydrophobicContact CG1-CE2 3.9Å; V314-F316 HydrophobicContact CG1-CZ 3.92Å; F316-V324 HydrophobicContact CB-CB 3.66Å; F316-V324 HydrophobicContact CB-CG1 4.16Å; F316-V324 HydrophobicContact CB-CG2 3.69Å; F316-V324 HydrophobicContact CG-CB 4.36Å; F316-V326 HydrophobicContact CD2-CG2 3.97Å; F316-V326 HydrophobicContact CE1-CG2 4.17Å; F316-V326 HydrophobicContact CE2-CG2 3.52Å; F316-V326 HydrophobicContact CZ-CG2 3.64Å; F316-A338 HydrophobicContact CE1-CB 3.96Å; F316-A338 HydrophobicContact CZ-CB 4.17Å; F316-W346 HydrophobicContact CB-CD2 4.49Å; F316-W346 HydrophobicContact CB-CE3 4.34Å; F316-W346 HydrophobicContact CB-CH2 4.14Å; F316-W346 HydrophobicContact CB-CZ2 4.3Å; F316-W346 HydrophobicContact CB-CZ3 4.16Å; F316-W346 HydrophobicContact CD1-CB 4.03Å; F316-W346 AromaticContact CD1-CD2 3.64Å; F316-W346 HydrophobicContact CD1-CD2 3.64Å; F316-W346 AromaticContact CD1-CE3 3.78Å; F316-W346 HydrophobicContact CD1-CE3 3.78Å; F316-W346 AromaticContact CD1-CG 3.76Å; F316-W346 HydrophobicContact CD1-CG 3.76Å; F316-W346 HydrophobicContact CD1-CZ3 4.43Å; F316-W346 HydrophobicContact CE1-CB 3.95Å; F316-W346 HydrophobicContact CE1-CD2 4.45Å; F316-W346 HydrophobicContact CE1-CG 4.12Å; F316-W348 HydrophobicContact CE1-CH2 4.22Å; F316-W348 AromaticContact CE1-CZ3 3.84Å; F316-W348 HydrophobicContact CE1-CZ3 3.84Å; F316-W348 HydrophobicContact CZ-CH2 4.07Å; F316-W348 HydrophobicContact CZ-CZ3 4.17Å; F316-P382 HydrophobicContact CD1-CB 3.45Å; F316-P382 VanDerWaalsContact CD1-CB 3.45Å; F316-P382 HydrophobicContact CD1-CG 3.87Å; F316-P382 HydrophobicContact CE1-CB 3.67Å; F316-P382 HydrophobicContact CE1-CG 3.83Å; F316-P382 HydrophobicContact CG-CB 4.24Å; F316-P382 HydrophobicContact CG-CG 4.39Å; F316-P382 HydrophobicContact CZ-CG 4.3Å
317H88.9Confident91.7Very high122 Ų12265.2 Ų65.257%0.56534%0.339SS*.BIsolated β-bridgetrans-98.2119.7-171.2-66.2-73.7000111.5W346H317-W346 WeakPolarHBondContact O-CH2 3.38Å
318L86.1Confident92.1Very high30 Ų3066 Ų6616%0.15735%0.345CS..  trans-97.8151.4165.4-66.2174.2000110.1D320 G321 H322 V324 W346 R384L318-D320 WeakPolarHBondContact CB-OD1 3.41Å; L318-D320 PolarHBondContact O-N 2.88Å; L318-G321 PolarHBondContact O-N 3.44Å; L318-G321 VanDerWaalsContact O-N 3.07Å; L318-H322 HydrophobicContact CD1-CB 4.37Å; L318-V324 HydrophobicContact CD1-CG2 3.73Å; L318-V324 HydrophobicContact CD2-CG2 4.4Å; L318-V324 HydrophobicContact CG-CG2 3.66Å; L318-W346 HydrophobicContact CD2-CH2 3.94Å; L318-W346 HydrophobicContact CD2-CZ2 3.82Å; L318-W346 HydrophobicContact CG-CH2 4.43Å; L318-W346 HydrophobicContact CG-CZ2 4.42Å; L318-R384 VanDerWaalsContact CD2-NH1 3.29Å
319N82.9Confident92.5Very high177 Ų17764.4 Ų64.495%0.94734%0.337SS*.THydrogen-bonded Turntrans-63.2-23.5-179.8-67.8-14.7000113.3G321N319-G321 VanDerWaalsContact C-N 3.35Å
320D85.7Confident92.9Very high106 Ų10664.5 Ų64.557%0.56734%0.338SS*.THydrogen-bonded Turntrans-87.3-3.5178.656.117.6000113.2L318 H322L318-D320 WeakPolarHBondContact CB-OD1 3.41Å; L318-D320 PolarHBondContact O-N 2.88Å; D320-H322 VanDerWaalsContact C-N 3.26Å; D320-H322 VanDerWaalsContact CG-CD2 3.46Å; D320-H322 PolarHBondContact O-N 2.93Å; D320-H322 IonicContact OD1-CD2 3.7Å; D320-H322 IonicContact OD1-CG 3.92Å; D320-H322 PolarHBondContact OD1-N 3.2Å; D320-H322 IonicContact OD2-CD2 3.53Å
321G82.6Confident93.2Very high67 Ų6759.8 Ų59.869%0.69132%0.322SS*.  trans76.83.5-179.800000115L318 N319L318-G321 PolarHBondContact O-N 3.44Å; L318-G321 VanDerWaalsContact O-N 3.07Å; N319-G321 VanDerWaalsContact C-N 3.35Å
322H84.8Confident93.4Very high128 Ų12859.1 Ų59.159%0.59332%0.318SS*.PPolyproline II helixtrans-69.3141.2177.1-75.1-58.8000111.9L318 D320L318-H322 HydrophobicContact CD1-CB 4.37Å; D320-H322 VanDerWaalsContact C-N 3.26Å; D320-H322 VanDerWaalsContact CG-CD2 3.46Å; D320-H322 PolarHBondContact O-N 2.93Å; D320-H322 IonicContact OD1-CD2 3.7Å; D320-H322 IonicContact OD1-CG 3.92Å; D320-H322 PolarHBondContact OD1-N 3.2Å; D320-H322 IonicContact OD2-CD2 3.53Å
323E87.2Confident93.5Very high141 Ų14158.6 Ų58.666%0.65931%0.312SS*.BIsolated β-bridgetrans-72.5132.9175.7-168.3170.9-160.300110.3K313K313-E323 IonicContact NZ-OE1 3.32Å; K313-E323 PolarHBondContact NZ-OE1 2.63Å
324V95.5Very high93.6Very high15 Ų1556.8 Ų56.89%0.09130%0.304CS..PPolyproline II helixtrans-90.1123.1-179.5-178.20000109.6F316 L318 D340 W346F316-V324 HydrophobicContact CB-CB 3.66Å; F316-V324 HydrophobicContact CB-CG1 4.16Å; F316-V324 HydrophobicContact CB-CG2 3.69Å; F316-V324 HydrophobicContact CG-CB 4.36Å; L318-V324 HydrophobicContact CD1-CG2 3.73Å; L318-V324 HydrophobicContact CD2-CG2 4.4Å; L318-V324 HydrophobicContact CG-CG2 3.66Å; V324-D340 HydrophobicContact CG1-CB 3.36Å; V324-W346 HydrophobicContact CG1-CZ2 4.29Å; V324-W346 HydrophobicContact CG2-CH2 4.28Å; V324-W346 HydrophobicContact CG2-CZ2 3.82Å
325T97.2Very high93.6Very high66 Ų6656.7 Ų56.741%0.40530%0.304SS..PPolyproline II helixtrans-85.9117169.4-54.30000109.9D340 S341T325-D340 CarbonylContact O-C 3.49Å; T325-D340 WeakPolarHBondContact O-CA 3.07Å; T325-S341 PolarHBondContact O-N 3.19Å
326V98.5Very high93.7Very high1 Ų151.9 Ų51.91%0.00628%0.281CS..EExtended strand (participates in β ladder)trans-82.4135.7176.21780000110.9R269 G273 V275 F316 T328 I329 A338R269-V326 WeakPolarHBondContact CD-O 3.35Å; R269-V326 HydrophobicContact CG-CG1 4.45Å; G273-V326 WeakPolarHBondContact CA-O 3.2Å; G273-V326 WeakPolarHBondContact O-CB 3.37Å; G273-V326 PolarHBondContact O-N 2.96Å; V275-V326 HydrophobicContact CG2-CB 3.75Å; V275-V326 HydrophobicContact CG2-CG1 3.78Å; V275-V326 HydrophobicContact CG2-CG2 3.7Å; F316-V326 HydrophobicContact CD2-CG2 3.97Å; F316-V326 HydrophobicContact CE1-CG2 4.17Å; F316-V326 HydrophobicContact CE2-CG2 3.52Å; F316-V326 HydrophobicContact CZ-CG2 3.64Å; V326-T328 WeakPolarHBondContact CG1-O 3.5Å; V326-I329 HydrophobicContact CG1-CG2 3.85Å; V326-A338 HydrophobicContact CG1-CB 3.92Å; V326-A338 HydrophobicContact CG2-CB 4.5Å
327K98.2Very high93.9Very high126 Ų12651 Ų5155%0.54828%0.278SS..EExtended strand (participates in β ladder)trans-95.1-39.7176.5-84.9-177.8170.7163.30113.4R269 I339 S341R269-K327 WeakPolarHBondContact CD-O 3.49Å; R269-K327 PolarHBondContact NE-O 2.84Å; R269-K327 VanDerWaalsContact NE-O 3.14Å; K327-I339 PolarHBondContact N-O 3.41Å; K327-S341 PolarHBondContact NZ-O 3.11Å
328T98.5Very high94.4Very high39 Ų3945.2 Ų45.224%0.23925%0.251CS..EExtended strand (participates in β ladder)trans-153.4154.3178.8-174.10000111.1Q258 V326 A338 I339 I399Q258-T328 PolarHBondContact NE2-OG1 3.48Å; Q258-T328 PolarHBondContact OE1-OG1 2.98Å; V326-T328 WeakPolarHBondContact CG1-O 3.5Å; T328-A338 CarbonylContact O-C 3.5Å; T328-A338 VanDerWaalsContact O-CA 3.3Å; T328-A338 WeakPolarHBondContact O-CA 3.27Å; T328-I339 HydrophobicContact CG2-CB 3.86Å; T328-I339 HydrophobicContact CG2-CD1 3.62Å; T328-I339 HydrophobicContact CG2-CG1 3.78Å; T328-I339 PolarHBondContact N-O 2.84Å; T328-I339 PolarHBondContact O-N 2.84Å; T328-I399 HydrophobicContact CG2-CD1 4.22Å; T328-I399 HydrophobicContact CG2-CG1 4.11Å
329I98.8Very high94.9Very high3 Ų344 Ų442%0.01525%0.245CC..EExtended strand (participates in β ladder)trans-126.3155.2178.153.6175.4000111.1Q258 V260 L267 R269 V275 V326 L337 A338Q258-I329 HydrophobicContact CG-CD1 4.42Å; Q258-I329 HydrophobicContact CG-CG1 3.99Å; Q258-I329 PolarHBondContact NE2-O 3.47Å; Q258-I329 VanDerWaalsContact OE1-N 3.16Å; V260-I329 HydrophobicContact CG1-CG1 4.35Å; V260-I329 HydrophobicContact CG2-CB 4.36Å; V260-I329 HydrophobicContact CG2-CD1 3.67Å; V260-I329 HydrophobicContact CG2-CG1 3.84Å; L267-I329 HydrophobicContact CB-CD1 3.79Å; R269-I329 HydrophobicContact CB-CD1 3.99Å; R269-I329 HydrophobicContact CB-CG1 4.28Å; V275-I329 HydrophobicContact CG1-CG2 4.34Å; V275-I329 HydrophobicContact CG2-CG2 3.8Å; V326-I329 HydrophobicContact CG1-CG2 3.85Å; I329-L337 CarbonylContact C-O 3.22Å; I329-L337 WeakPolarHBondContact CA-O 3.3Å; I329-A338 HydrophobicContact CG2-CB 4.09Å
330A98.7Very high95.6Very high12 Ų1235.7 Ų35.710%0.09920%0.2CC..EExtended strand (participates in β ladder)trans-146155.3170.400000110.4S336 L337 I399A330-S336 WeakPolarHBondContact O-CA 3.42Å; A330-L337 HydrophobicContact CB-CB 4.44Å; A330-L337 PolarHBondContact N-O 3.47Å; A330-L337 PolarHBondContact O-N 2.87Å; A330-I399 HydrophobicContact CB-CD1 3.87Å; A330-I399 HydrophobicContact CB-CG1 4.16Å
331C98.4Very high96.1Very high20 Ų2032.8 Ų32.814%0.13519%0.188CC..EExtended strand (participates in β ladder)trans-128.1140176-71.80000110.8V260 C261 C401V260-C331 HydrophobicContact CG2-CB 4.42Å; V260-C331 VanDerWaalsContact CG2-SG 3.59Å; C261-C331 WeakPolarHBondContact O-CB 3.49Å; C331-C401 WeakPolarHBondContact O-CB 3.14Å
332G98.3Very high96.6Very high3 Ų334.4 Ų34.43%0.03118%0.181CC..  trans-92.8-147.4159.200000111G262 H335 G402G262-G332 WeakPolarHBondContact CA-O 3.25Å; G332-H335 PolarHBondContact N-O 3.17Å; G332-G402 WeakPolarHBondContact CA-O 3.44Å
333S97.9Very high97.1Very high4 Ų428.6 Ų28.63%0.02816%0.155CC..SBendtrans-64.7-61.8177.4560000111.6W263 Y403W263-S333 WeakPolarHBondContact CB-O 3.26Å; W263-S333 PolarHBondContact N-O 2.74Å; S333-Y403 VanDerWaalsContact CB-O 3.27Å; S333-Y403 WeakPolarHBondContact CB-O 3.36Å; S333-Y403 PolarHBondContact N-O 3.45Å; S333-Y403 PolarHBondContact OG-O 2.89Å
334E97.9Very high97.4Very high12 Ų1224.1 Ų24.16%0.05614%0.135CC..SBendtrans-132.820.2-173.3-60-68.6165.600110.8S264 F283 Q285 G349 W350S264-E334 PolarHBondContact OG-OE1 3.22Å; S264-E334 PolarHBondContact OG-OE2 3.47Å; S264-E334 VanDerWaalsContact OG-OE2 3.05Å; F283-E334 HydrophobicContact CD2-CB 4.29Å; F283-E334 HydrophobicContact CD2-CG 4.29Å; Q285-E334 VanDerWaalsContact CB-O 3.22Å; Q285-E334 WeakPolarHBondContact CB-O 3.45Å; Q285-E334 PolarHBondContact NE2-OE2 2.71Å; E334-G349 WeakPolarHBondContact O-CA 3.23Å; E334-W350 HydrophobicContact CB-CB 3.75Å; E334-W350 HydrophobicContact CB-CG 4.44Å; E334-W350 WeakPolarHBondContact O-CB 3.28Å; E334-W350 PolarHBondContact O-N 2.91Å
335H98.1Very high97.5Very high0 Ų023.5 Ų23.50%013%0.13CC..EExtended strand (participates in β ladder)trans-134.6161.517673.7-79.7000110.8G332 W348 W350 M355 S406G332-H335 PolarHBondContact N-O 3.17Å; H335-W348 CarbonylContact C-O 3.58Å; H335-W348 VanDerWaalsContact CA-O 3.31Å; H335-W348 WeakPolarHBondContact CA-O 3.46Å; H335-W348 WeakPolarHBondContact CB-O 3.45Å; H335-W350 WeakPolarHBondContact CB-O 3.34Å; H335-M355 HydrophobicContact CB-CG 4.05Å; H335-S406 PolarHBondContact CD2-OG 3.25Å; H335-S406 PolarHBondContact NE2-OG 3.01Å
336S98.7Very high97.5Very high0 Ų020.5 Ų20.50%011%0.112CC..EExtended strand (participates in β ladder)trans-143.2150.1-173.8-50.90000111.9H265 A330 V347 W348H265-S336 PolarHBondContact NE2-OG 3.42Å; A330-S336 WeakPolarHBondContact O-CA 3.42Å; S336-V347 WeakPolarHBondContact O-CA 3.49Å; S336-W348 PolarHBondContact N-O 3.33Å; S336-W348 PolarHBondContact O-N 3.31Å
337L98.7Very high97.5Very high0 Ų020.5 Ų20.50%011%0.112CC..EExtended strand (participates in β ladder)trans-126.1148.7-179.1-7660000109.3W4 I329 A330 L345 W346 V347 I399 C401W4-L337 HydrophobicContact CZ2-CD2 4.2Å; I329-L337 CarbonylContact C-O 3.22Å; I329-L337 WeakPolarHBondContact CA-O 3.3Å; A330-L337 HydrophobicContact CB-CB 4.44Å; A330-L337 PolarHBondContact N-O 3.47Å; A330-L337 PolarHBondContact O-N 2.87Å; L337-L345 HydrophobicContact CB-CD1 4.24Å; L337-L345 HydrophobicContact CD2-CD1 4.37Å; L337-L345 HydrophobicContact CG-CD1 4.33Å; L337-W346 CarbonylContact C-O 3.52Å; L337-W346 VanDerWaalsContact CA-O 3.28Å; L337-W346 WeakPolarHBondContact CA-O 3.38Å; L337-V347 HydrophobicContact CG-CG1 4.24Å; L337-I399 HydrophobicContact CB-CD1 3.72Å; L337-I399 HydrophobicContact CD2-CB 4.21Å; L337-I399 HydrophobicContact CD2-CG2 4.27Å; L337-C401 WeakPolarHBondContact CD1-SG 3.47Å
338A98.7Very high97.4Very high0 Ų014.5 Ų14.50%09%0.086CC..EExtended strand (participates in β ladder)trans-141.3144.516900000111.4F316 V326 T328 I329 L345 W346 W348F316-A338 HydrophobicContact CE1-CB 3.96Å; F316-A338 HydrophobicContact CZ-CB 4.17Å; V326-A338 HydrophobicContact CG1-CB 3.92Å; V326-A338 HydrophobicContact CG2-CB 4.5Å; T328-A338 CarbonylContact O-C 3.5Å; T328-A338 VanDerWaalsContact O-CA 3.3Å; T328-A338 WeakPolarHBondContact O-CA 3.27Å; I329-A338 HydrophobicContact CG2-CB 4.09Å; A338-L345 WeakPolarHBondContact O-CD1 3.18Å; A338-W346 HydrophobicContact CB-CB 4.28Å; A338-W346 PolarHBondContact N-O 3.16Å; A338-W346 PolarHBondContact O-N 3.5Å; A338-W348 HydrophobicContact CB-CH2 4.08Å; A338-W348 HydrophobicContact CB-CZ3 3.9Å
339I98.2Very high97.4Very high5 Ų512.6 Ų12.63%0.0267%0.074CC..EExtended strand (participates in β ladder)trans-106130.2167.3-50.5175.7000108.2K327 T328 Q344 V396 I399K327-I339 PolarHBondContact N-O 3.41Å; T328-I339 HydrophobicContact CG2-CB 3.86Å; T328-I339 HydrophobicContact CG2-CD1 3.62Å; T328-I339 HydrophobicContact CG2-CG1 3.78Å; T328-I339 PolarHBondContact N-O 2.84Å; T328-I339 PolarHBondContact O-N 2.84Å; I339-Q344 WeakPolarHBondContact CA-O 3.38Å; I339-V396 HydrophobicContact CD1-CB 4.25Å; I339-V396 HydrophobicContact CD1-CG1 3.74Å; I339-V396 HydrophobicContact CG1-CB 4.39Å; I339-V396 HydrophobicContact CG1-CG1 4.05Å; I339-V396 HydrophobicContact CG2-CB 4.33Å; I339-V396 WeakPolarHBondContact CG2-O 3.49Å; I339-I399 HydrophobicContact CD1-CB 4.32Å; I339-I399 HydrophobicContact CD1-CD1 4.45Å; I339-I399 HydrophobicContact CD1-CG1 3.92Å; I339-I399 HydrophobicContact CD1-CG2 3.78Å; I339-I399 HydrophobicContact CG1-CB 4.41Å; I339-I399 HydrophobicContact CG1-CD1 3.9Å; I339-I399 HydrophobicContact CG1-CG1 3.91Å; I339-I399 HydrophobicContact CG1-CG2 3.71Å
340D97.2Very high97.3Very high2 Ų214.6 Ų14.61%0.0118%0.081CC..EExtended strand (participates in β ladder)trans-85.6175.7174.171.922.3000114.2V324 T325 N342 G343 Q344 W346V324-D340 HydrophobicContact CG1-CB 3.36Å; T325-D340 CarbonylContact O-C 3.49Å; T325-D340 WeakPolarHBondContact O-CA 3.07Å; D340-N342 PolarHBondContact O-N 3.05Å; D340-N342 WeakPolarHBondContact OD1-CA 3.42Å; D340-N342 WeakPolarHBondContact OD1-CB 3.15Å; D340-N342 PolarHBondContact OD1-N 2.8Å; D340-G343 PolarHBondContact O-N 3.42Å; D340-G343 PolarHBondContact OD1-N 3.32Å; D340-Q344 PolarHBondContact N-O 3.26Å; D340-Q344 PolarHBondContact OD1-N 2.88Å; D340-Q344 WeakPolarHBondContact OD2-CB 3.38Å; D340-W346 PolarHBondContact OD2-NE1 2.99Å
341S95.8Very high97.1Very high45 Ų4514 Ų1432%0.3158%0.077SC..THydrogen-bonded Turntrans-60.1-25.1-179.8600000113.9T325 K327 G343T325-S341 PolarHBondContact O-N 3.19Å; K327-S341 PolarHBondContact NZ-O 3.11Å; S341-G343 VanDerWaalsContact C-N 3.34Å
342N93.5Very high96.8Very high100 Ų10017.8 Ų17.854%0.5359%0.092SC..THydrogen-bonded Turntrans-87.2-2.8177.7-62.5-44.4000113.1D340 Q344D340-N342 PolarHBondContact O-N 3.05Å; D340-N342 WeakPolarHBondContact OD1-CA 3.42Å; D340-N342 WeakPolarHBondContact OD1-CB 3.15Å; D340-N342 PolarHBondContact OD1-N 2.8Å; N342-Q344 HydrophobicContact CB-CG 4.28Å
343G94.8Very high96.6Very high6 Ų621 Ų216%0.06211%0.106CC..SBendtrans78.223.4-177.500000113.1D340 S341 V396D340-G343 PolarHBondContact O-N 3.42Å; D340-G343 PolarHBondContact OD1-N 3.32Å; S341-G343 VanDerWaalsContact C-N 3.34Å; G343-V396 WeakPolarHBondContact O-CG2 3.35Å; G343-V396 PolarHBondContact O-N 2.95Å
344Q94.8Very high96.4Very high48 Ų4820.8 Ų20.822%0.22411%0.105CC..  trans-89.7147.6173.1-52.6-64.7-59.700110.6I339 D340 N342 R384I339-Q344 WeakPolarHBondContact CA-O 3.38Å; D340-Q344 PolarHBondContact N-O 3.26Å; D340-Q344 PolarHBondContact OD1-N 2.88Å; D340-Q344 WeakPolarHBondContact OD2-CB 3.38Å; N342-Q344 HydrophobicContact CB-CG 4.28Å; Q344-R384 HydrophobicContact CB-CG 4.24Å
345L96.6Very high96.4Very high1 Ų120.2 Ų20.21%0.00510%0.102CC..EExtended strand (participates in β ladder)trans-96134.2179177.762.5000111.1W4 L337 A338 V347 R384 I385 F387 V396 I399 A408W4-L345 HydrophobicContact CH2-CD2 3.55Å; W4-L345 HydrophobicContact CZ2-CD2 3.87Å; L337-L345 HydrophobicContact CB-CD1 4.24Å; L337-L345 HydrophobicContact CD2-CD1 4.37Å; L337-L345 HydrophobicContact CG-CD1 4.33Å; A338-L345 WeakPolarHBondContact O-CD1 3.18Å; L345-V347 HydrophobicContact CD2-CG1 4.43Å; L345-V347 HydrophobicContact CG-CG1 4.18Å; L345-R384 WeakPolarHBondContact O-CA 3.27Å; L345-I385 HydrophobicContact CB-CG2 3.63Å; L345-I385 HydrophobicContact CD2-CG2 3.59Å; L345-I385 HydrophobicContact CG-CG2 3.57Å; L345-I385 PolarHBondContact O-N 3.11Å; L345-F387 HydrophobicContact CB-CZ 4.39Å; L345-F387 HydrophobicContact CD2-CE1 4.08Å; L345-F387 HydrophobicContact CD2-CZ 3.57Å; L345-V396 HydrophobicContact CB-CG2 3.8Å; L345-I399 HydrophobicContact CD1-CG2 3.73Å; L345-A408 HydrophobicContact CD2-CB 4.35Å
346W97.6Very high96.2Very high4 Ų420.2 Ų20.22%0.01510%0.102CC..EExtended strand (participates in β ladder)trans-118.7142.2173.9-61.480.8000109.9F316 H317 L318 V324 L337 A338 D340 P382 Y383 R384F316-W346 HydrophobicContact CB-CD2 4.49Å; F316-W346 HydrophobicContact CB-CE3 4.34Å; F316-W346 HydrophobicContact CB-CH2 4.14Å; F316-W346 HydrophobicContact CB-CZ2 4.3Å; F316-W346 HydrophobicContact CB-CZ3 4.16Å; F316-W346 HydrophobicContact CD1-CB 4.03Å; F316-W346 AromaticContact CD1-CD2 3.64Å; F316-W346 HydrophobicContact CD1-CD2 3.64Å; F316-W346 AromaticContact CD1-CE3 3.78Å; F316-W346 HydrophobicContact CD1-CE3 3.78Å; F316-W346 AromaticContact CD1-CG 3.76Å; F316-W346 HydrophobicContact CD1-CG 3.76Å; F316-W346 HydrophobicContact CD1-CZ3 4.43Å; F316-W346 HydrophobicContact CE1-CB 3.95Å; F316-W346 HydrophobicContact CE1-CD2 4.45Å; F316-W346 HydrophobicContact CE1-CG 4.12Å; H317-W346 WeakPolarHBondContact O-CH2 3.38Å; L318-W346 HydrophobicContact CD2-CH2 3.94Å; L318-W346 HydrophobicContact CD2-CZ2 3.82Å; L318-W346 HydrophobicContact CG-CH2 4.43Å; L318-W346 HydrophobicContact CG-CZ2 4.42Å; V324-W346 HydrophobicContact CG1-CZ2 4.29Å; V324-W346 HydrophobicContact CG2-CH2 4.28Å; V324-W346 HydrophobicContact CG2-CZ2 3.82Å; L337-W346 CarbonylContact C-O 3.52Å; L337-W346 VanDerWaalsContact CA-O 3.28Å; L337-W346 WeakPolarHBondContact CA-O 3.38Å; A338-W346 HydrophobicContact CB-CB 4.28Å; A338-W346 PolarHBondContact N-O 3.16Å; A338-W346 PolarHBondContact O-N 3.5Å; D340-W346 PolarHBondContact OD2-NE1 2.99Å; W346-P382 HydrophobicContact CE3-CB 3.85Å; W346-P382 HydrophobicContact CZ3-CB 4.49Å; W346-Y383 CarbonylContact C-O 3.58Å; W346-Y383 VanDerWaalsContact CA-O 3.29Å; W346-Y383 WeakPolarHBondContact CA-O 3.2Å; W346-R384 HydrophobicContact CD2-CB 3.9Å; W346-R384 HydrophobicContact CD2-CG 4.27Å; W346-R384 HydrophobicContact CE3-CB 3.77Å; W346-R384 HydrophobicContact CH2-CB 3.89Å; W346-R384 HydrophobicContact CZ2-CB 4Å; W346-R384 HydrophobicContact CZ2-CG 4.16Å; W346-R384 HydrophobicContact CZ3-CB 3.77Å
347V97.5Very high96Very high0 Ų020.5 Ų20.50%011%0.105CC..EExtended strand (participates in β ladder)trans-138.2145.1-175.4-61.80000110.8S336 L337 L345 C356 V358 Y383S336-V347 WeakPolarHBondContact O-CA 3.49Å; L337-V347 HydrophobicContact CG-CG1 4.24Å; L345-V347 HydrophobicContact CD2-CG1 4.43Å; L345-V347 HydrophobicContact CG-CG1 4.18Å; V347-C356 HydrophobicContact CB-CB 4.11Å; V347-C356 HydrophobicContact CG2-CB 4.03Å; V347-C356 VanDerWaalsContact CG2-O 3.32Å; V347-C356 WeakPolarHBondContact CG2-O 3.17Å; V347-V358 HydrophobicContact CG2-CG2 3.91Å; V347-Y383 HydrophobicContact CG2-CD1 4.31Å; V347-Y383 WeakPolarHBondContact CG2-O 3.23Å; V347-Y383 PolarHBondContact N-O 3.41Å; V347-Y383 PolarHBondContact O-N 2.85Å
348W97.5Very high95.6Very high0 Ų020.9 Ų20.90%011%0.108CC..EExtended strand (participates in β ladder)trans-160.4169.5170.265.493.9000111.8L267 Q285 G287 V314 F316 H335 S336 A338 C356 I379 P382L267-W348 HydrophobicContact CD2-CH2 4.01Å; L267-W348 HydrophobicContact CD2-CZ2 3.48Å; L267-W348 VanDerWaalsContact CD2-CZ2 3.48Å; L267-W348 HydrophobicContact CG-CZ2 4.37Å; Q285-W348 PolarHBondContact O-NE1 2.81Å; G287-W348 VanDerWaalsContact N-CD1 3.27Å; V314-W348 HydrophobicContact CG1-CZ2 4.47Å; F316-W348 HydrophobicContact CE1-CH2 4.22Å; F316-W348 AromaticContact CE1-CZ3 3.84Å; F316-W348 HydrophobicContact CE1-CZ3 3.84Å; F316-W348 HydrophobicContact CZ-CH2 4.07Å; F316-W348 HydrophobicContact CZ-CZ3 4.17Å; H335-W348 CarbonylContact C-O 3.58Å; H335-W348 VanDerWaalsContact CA-O 3.31Å; H335-W348 WeakPolarHBondContact CA-O 3.46Å; H335-W348 WeakPolarHBondContact CB-O 3.45Å; S336-W348 PolarHBondContact N-O 3.33Å; S336-W348 PolarHBondContact O-N 3.31Å; A338-W348 HydrophobicContact CB-CH2 4.08Å; A338-W348 HydrophobicContact CB-CZ3 3.9Å; W348-C356 VanDerWaalsContact C-SG 3.58Å; W348-I379 HydrophobicContact CB-CG2 4.16Å; W348-P382 HydrophobicContact CD2-CG 4.26Å; W348-P382 HydrophobicContact CE3-CB 4.04Å; W348-P382 HydrophobicContact CE3-CG 4.03Å; W348-P382 HydrophobicContact CZ3-CB 4.49Å; W348-P382 HydrophobicContact CZ3-CG 4.43Å
349G97.3Very high94.8Very high0 Ų023.5 Ų23.50%012%0.121CC..EExtended strand (participates in β ladder)trans101.2-156.9179.700000113.6F283 E334 Y378 I379F283-G349 CarbonylContact O-C 3.57Å; F283-G349 WeakPolarHBondContact O-CA 3.41Å; E334-G349 WeakPolarHBondContact O-CA 3.23Å; G349-Y378 CarbonylContact O-C 3.22Å; G349-Y378 WeakPolarHBondContact O-CA 3.47Å; G349-I379 PolarHBondContact N-O 3.41Å; G349-I379 PolarHBondContact O-N 3.06Å
350W96Very high93.4Very high44 Ų4426 Ų2617%0.16714%0.136CC..EExtended strand (participates in β ladder)trans-58.9141.5-178-170.449.6000111.8F283 E334 H335 E352 H353 M355 C356F283-W350 HydrophobicContact CB-CB 3.89Å; F283-W350 HydrophobicContact CB-CG 4.42Å; F283-W350 AromaticContact CD1-CD1 3.94Å; F283-W350 HydrophobicContact CG-CB 4.36Å; F283-W350 HydrophobicContact CG-CG 4.43Å; F283-W350 PolarHBondContact O-N 2.92Å; E334-W350 HydrophobicContact CB-CB 3.75Å; E334-W350 HydrophobicContact CB-CG 4.44Å; E334-W350 WeakPolarHBondContact O-CB 3.28Å; E334-W350 PolarHBondContact O-N 2.91Å; H335-W350 WeakPolarHBondContact CB-O 3.34Å; W350-E352 HydrophobicContact CZ2-CB 3.93Å; W350-E352 HydrophobicContact CZ2-CG 4.44Å; W350-E352 VanDerWaalsContact CZ2-OE2 3.23Å; W350-E352 WeakPolarHBondContact CZ2-OE2 3.45Å; W350-E352 VanDerWaalsContact NE1-CG 3.28Å; W350-E352 PolarHBondContact NE1-OE2 3.24Å; W350-H353 AromaticContact CH2-CD2 3.57Å; W350-H353 AromaticContact CZ2-CD2 3.95Å; W350-M355 HydrophobicContact CD2-CE 4.34Å; W350-M355 HydrophobicContact CD2-SD 3.94Å; W350-M355 HydrophobicContact CE3-CE 3.33Å; W350-M355 HydrophobicContact CE3-SD 3.5Å; W350-M355 VanDerWaalsContact CE3-SD 3.5Å; W350-M355 HydrophobicContact CG-SD 4.42Å; W350-M355 HydrophobicContact CZ3-CE 3.53Å; W350-M355 HydrophobicContact CZ3-SD 3.98Å; W350-M355 WeakPolarHBondContact O-CG 3.44Å; W350-C356 PolarHBondContact O-SG 3.43Å; W350-C356 VanDerWaalsContact O-SG 3.41Å
351N95.4Very high91.3Very high0 Ų031.2 Ų31.20%016%0.159CC..  trans-148.917.1-171.5-17154.4000113.8H353 G354 M355 C356 V358 V375 I376 P377 I379N351-H353 VanDerWaalsContact C-N 3.25Å; N351-H353 PolarHBondContact O-N 2.96Å; N351-G354 WeakPolarHBondContact O-CA 3.24Å; N351-G354 PolarHBondContact O-N 3.32Å; N351-G354 WeakPolarHBondContact OD1-CA 3.37Å; N351-M355 PolarHBondContact OD1-N 3.24Å; N351-C356 HydrophobicContact CB-CB 4.03Å; N351-C356 WeakPolarHBondContact OD1-CA 3.43Å; N351-C356 VanDerWaalsContact OD1-CB 3.23Å; N351-C356 WeakPolarHBondContact OD1-CB 3.43Å; N351-C356 PolarHBondContact OD1-N 3.04Å; N351-V358 PolarHBondContact ND2-O 2.94Å; N351-V375 VanDerWaalsContact O-CG1 3.24Å; N351-V375 WeakPolarHBondContact O-CG1 3.3Å; N351-I376 VanDerWaalsContact CB-O 3.24Å; N351-I376 WeakPolarHBondContact CB-O 3.35Å; N351-I376 PolarHBondContact ND2-O 3.3Å; N351-P377 CarbonylContact C-O 3.52Å; N351-P377 WeakPolarHBondContact CA-O 3.3Å; N351-P377 PolarHBondContact N-O 3.21Å; N351-I379 HydrophobicContact CB-CG1 4.48Å
352E92.8Very high89Confident100 Ų10032.9 Ų32.947%0.46717%0.168SC..THydrogen-bonded Turntrans-61.8-29.8179.5-73.4178.6170.600114Y21 W350 P377Y21-E352 WeakPolarHBondContact CE1-O 3.46Å; W350-E352 HydrophobicContact CZ2-CB 3.93Å; W350-E352 HydrophobicContact CZ2-CG 4.44Å; W350-E352 VanDerWaalsContact CZ2-OE2 3.23Å; W350-E352 WeakPolarHBondContact CZ2-OE2 3.45Å; W350-E352 VanDerWaalsContact NE1-CG 3.28Å; W350-E352 PolarHBondContact NE1-OE2 3.24Å; E352-P377 HydrophobicContact CG-CB 3.97Å; E352-P377 PolarHBondContact N-O 3.02Å
353H93.6Very high86.2Confident69 Ų6933.6 Ų33.632%0.31919%0.187SC..THydrogen-bonded Turntrans-97.511171.5-68-80000112.9G5 A6 D19 W350 N351 M355G5-H353 CarbonylContact C-O 3.5Å; G5-H353 VanDerWaalsContact C-O 3.25Å; G5-H353 WeakPolarHBondContact CA-O 3.27Å; A6-H353 HydrophobicContact CB-CB 4.01Å; D19-H353 IonicContact OD2-CE1 3.93Å; D19-H353 IonicContact OD2-CG 2.77Å; D19-H353 IonicContact OD2-ND1 2.9Å; D19-H353 PolarHBondContact OD2-ND1 3.08Å; W350-H353 AromaticContact CH2-CD2 3.57Å; W350-H353 AromaticContact CZ2-CD2 3.95Å; N351-H353 VanDerWaalsContact C-N 3.25Å; N351-H353 PolarHBondContact O-N 2.96Å; H353-M355 HydrophobicContact CB-SD 4.44Å; H353-M355 PolarHBondContact O-N 2.62Å
354G94.4Very high83.6Confident0 Ų038.1 Ų38.10%022%0.218CC..SBendtrans74.919-179.800000114.9W4 N351 C356 G357W4-G354 VanDerWaalsContact CD1-O 3.24Å; N351-G354 WeakPolarHBondContact O-CA 3.24Å; N351-G354 PolarHBondContact O-N 3.32Å; N351-G354 WeakPolarHBondContact OD1-CA 3.37Å; G354-C356 PolarHBondContact O-N 3.14Å; G354-G357 WeakPolarHBondContact O-CA 3.33Å; G354-G357 PolarHBondContact O-N 2.91Å
355M96.2Very high81.1Confident0 Ų039.8 Ų39.80%023%0.226CC..THydrogen-bonded Turntrans-65.2-15.6-178.458.6-119-67.600115.5W4 H335 W350 N351 H353 Y403 S406W4-M355 PolarHBondContact NE1-O 3.29Å; H335-M355 HydrophobicContact CB-CG 4.05Å; W350-M355 HydrophobicContact CD2-CE 4.34Å; W350-M355 HydrophobicContact CD2-SD 3.94Å; W350-M355 HydrophobicContact CE3-CE 3.33Å; W350-M355 HydrophobicContact CE3-SD 3.5Å; W350-M355 VanDerWaalsContact CE3-SD 3.5Å; W350-M355 HydrophobicContact CG-SD 4.42Å; W350-M355 HydrophobicContact CZ3-CE 3.53Å; W350-M355 HydrophobicContact CZ3-SD 3.98Å; W350-M355 WeakPolarHBondContact O-CG 3.44Å; N351-M355 PolarHBondContact OD1-N 3.24Å; H353-M355 HydrophobicContact CB-SD 4.44Å; H353-M355 PolarHBondContact O-N 2.62Å; M355-Y403 WeakPolarHBondContact CE-O 3.39Å; M355-S406 WeakPolarHBondContact O-CB 3.39Å; M355-S406 PolarHBondContact O-OG 3.21Å
356C95.7Very high78.6Confident0 Ų043.7 Ų43.70%025%0.246CC..THydrogen-bonded Turntrans-85.1-16165.9-64.50000112.1V347 W348 W350 N351 G354 V358 I379V347-C356 HydrophobicContact CB-CB 4.11Å; V347-C356 HydrophobicContact CG2-CB 4.03Å; V347-C356 VanDerWaalsContact CG2-O 3.32Å; V347-C356 WeakPolarHBondContact CG2-O 3.17Å; W348-C356 VanDerWaalsContact C-SG 3.58Å; W350-C356 PolarHBondContact O-SG 3.43Å; W350-C356 VanDerWaalsContact O-SG 3.41Å; N351-C356 HydrophobicContact CB-CB 4.03Å; N351-C356 WeakPolarHBondContact OD1-CA 3.43Å; N351-C356 VanDerWaalsContact OD1-CB 3.23Å; N351-C356 WeakPolarHBondContact OD1-CB 3.43Å; N351-C356 PolarHBondContact OD1-N 3.04Å; G354-C356 PolarHBondContact O-N 3.14Å; C356-V358 VanDerWaalsContact C-N 3.32Å; C356-V358 HydrophobicContact CB-CG2 4.4Å; C356-V358 PolarHBondContact O-N 3.37Å; C356-I379 HydrophobicContact CB-CG1 3.96Å
357G93.6Very high75.7Confident6 Ų652.7 Ų52.76%0.06229%0.288CS..  trans74.520.8177.300000114Y21 G354 I385Y21-G357 CarbonylContact O-C 3.35Å; Y21-G357 VanDerWaalsContact O-CA 3.31Å; Y21-G357 WeakPolarHBondContact O-CA 3.42Å; G354-G357 WeakPolarHBondContact O-CA 3.33Å; G354-G357 PolarHBondContact O-N 2.91Å; G357-I385 WeakPolarHBondContact O-CD1 3.39Å
358V90.3Very high72.7Confident9 Ų961 Ų616%0.05533%0.327CS..  trans-116.2117.1-176.4-171.90000109.4V347 N351 C356 I376 I379 Y383V347-V358 HydrophobicContact CG2-CG2 3.91Å; N351-V358 PolarHBondContact ND2-O 2.94Å; C356-V358 VanDerWaalsContact C-N 3.32Å; C356-V358 HydrophobicContact CB-CG2 4.4Å; C356-V358 PolarHBondContact O-N 3.37Å; V358-I376 HydrophobicContact CG1-CD1 4.07Å; V358-I379 HydrophobicContact CB-CD1 4.09Å; V358-I379 HydrophobicContact CG1-CD1 4.18Å; V358-I379 HydrophobicContact CG2-CD1 4.44Å; V358-Y383 HydrophobicContact CG1-CD1 4.31Å; V358-Y383 HydrophobicContact CG1-CE1 4.03Å; V358-Y383 HydrophobicContact CG2-CD1 3.53Å; V358-Y383 HydrophobicContact CG2-CE1 3.82Å; V358-Y383 HydrophobicContact CG2-CG 4.26Å
359I82.7Confident69.7Low54 Ų5469.2 Ų69.228%0.27737%0.365SS..  trans-113.2-21.1-176.559.9160.8000115.2Y21 E22Y21-I359 VanDerWaalsContact O-CG2 3.32Å; Y21-I359 WeakPolarHBondContact O-CG2 3.49Å; E22-I359 HydrophobicContact CG-CB 4.38Å; E22-I359 HydrophobicContact CG-CD1 3.66Å; E22-I359 HydrophobicContact CG-CG1 3.7Å; E22-I359 HydrophobicContact CG-CG2 3.77Å; E22-I359 WeakPolarHBondContact OE1-CD1 2.9Å; E22-I359 WeakPolarHBondContact OE2-CD1 3.48Å
360T68.3Low66.5Low57 Ų5771.1 Ų71.135%0.3539%0.385SS..SBendtrans-110.4128.5-170.753.60000113.1T362T360-T362 PolarHBondContact O-N 3.28Å
361K52.3Low63.5Low113 Ų11375.5 Ų75.549%0.49142%0.417SS..  trans-59.283.1172.1-66.1175.2-178172.30111G370 E374K361-G370 PolarHBondContact NZ-O 3.11Å; K361-E374 IonicContact NZ-OE2 3.3Å; K361-E374 PolarHBondContact NZ-OE2 3.12Å
362T47.3Very low60.8Low80 Ų8084 Ų8449%0.49146%0.456SS..  trans-77.2132.8159.735.20000108.9T360 S364T360-T362 PolarHBondContact O-N 3.28Å; T362-S364 PolarHBondContact O-N 3.13Å
363A35.7Very low58.8Low115 Ų11588.8 Ų88.895%0.9548%0.479SS*.THydrogen-bonded Turntrans-65.519.2-150.100000118.9
364S40.3Very low57.2Low100 Ų10089 Ų8970%0.69948%0.48SS*.THydrogen-bonded Turntrans-110.2-8.8-173.2550000117T362T362-S364 PolarHBondContact O-N 3.13Å
365Q41.4Very low55.9Low84 Ų8491.2 Ų91.239%0.39349%0.493SS..SBendtrans-145.817.5-163.8-70.5-167.5-14.800120.7
366I44.4Very low55.2Low83 Ų8391.7 Ų91.743%0.42650%0.495SS..  trans-140.5122.2178.6-51172.1000113.5I376I366-I376 HydrophobicContact CD1-CB 3.88Å; I366-I376 HydrophobicContact CD1-CD1 3.6Å; I366-I376 HydrophobicContact CD1-CG1 3.39Å; I366-I376 HydrophobicContact CD1-CG2 3.33Å; I366-I376 HydrophobicContact CG1-CG2 4.39Å
367E37.7Very low54.9Low193 Ų19393.9 Ų93.990%0.90251%0.51SS*.  trans-61132.2167.4-74.9-178.3159.500110.5H369E367-H369 PolarHBondContact O-N 3.17Å
368Q34.1Very low54.8Low173 Ų17398.6 Ų98.681%0.80853%0.527SS*.  trans-59.5131.3-171.6-64.1174.7-11.900112.3
369H33.8Very low54.9Low173 Ų17398.8 Ų98.880%0.80153%0.527SS*.  -167.2112.9122.9-88.4-29.1000112E367E367-H369 PolarHBondContact O-N 3.17Å
370G31.3Very low55.4Low41 Ų4199 Ų9942%0.42353%0.531SS..  trans126.8163.4144.600000117.4K361 E374K361-G370 PolarHBondContact NZ-O 3.11Å; G370-E374 VanDerWaalsContact CA-CD 3.41Å; G370-E374 WeakPolarHBondContact CA-OE1 3.39Å; G370-E374 WeakPolarHBondContact CA-OE2 3.23Å; G370-E374 PolarHBondContact N-OE2 3.46Å
371T32Very low56.6Low136 Ų13698.6 Ų98.683%0.83453%0.525SS*.SBendtrans-126.1105-163.947.10000110.2
372Q39.2Very low58.7Low178 Ų17893.9 Ų93.983%0.83251%0.506SS*.SBendtrans154.7106.4157.6-98-174.2-9.300105.3E374Q372-E374 WeakPolarHBondContact O-CA 3.4Å; Q372-E374 WeakPolarHBondContact O-CG 3.43Å; Q372-E374 PolarHBondContact O-N 3.14Å
373E50.5Low60.9Low201 Ų20193.4 Ų93.494%0.93950%0.496SS*.SBendtrans2155.5177.6-70.7-173.5164.200114.5V375E373-V375 PolarHBondContact O-N 3.11Å
374E60.3Low63.7Low73 Ų7393.4 Ų93.434%0.34147%0.471SS..  trans-75.1110-167.7-88-179.8166.500108.5K361 G370 Q372 I376K361-E374 IonicContact NZ-OE2 3.3Å; K361-E374 PolarHBondContact NZ-OE2 3.12Å; G370-E374 VanDerWaalsContact CA-CD 3.41Å; G370-E374 WeakPolarHBondContact CA-OE1 3.39Å; G370-E374 WeakPolarHBondContact CA-OE2 3.23Å; G370-E374 PolarHBondContact N-OE2 3.46Å; Q372-E374 WeakPolarHBondContact O-CA 3.4Å; Q372-E374 WeakPolarHBondContact O-CG 3.43Å; Q372-E374 PolarHBondContact O-N 3.14Å; E374-I376 PolarHBondContact O-N 3.48Å
375V66.1Low66Low47 Ų4789 Ų8929%0.28544%0.44SS..  trans-51.1125.8171.1179.90000108Y21 N351 E373 P377Y21-V375 HydrophobicContact CD1-CB 4.32Å; Y21-V375 HydrophobicContact CD1-CG1 3.76Å; Y21-V375 HydrophobicContact CD1-CG2 3.54Å; Y21-V375 HydrophobicContact CE1-CB 4.35Å; Y21-V375 HydrophobicContact CE1-CG1 3.96Å; Y21-V375 HydrophobicContact CE1-CG2 3.58Å; Y21-V375 HydrophobicContact CG-CG2 4.23Å; N351-V375 VanDerWaalsContact O-CG1 3.24Å; N351-V375 WeakPolarHBondContact O-CG1 3.3Å; E373-V375 PolarHBondContact O-N 3.11Å; V375-P377 WeakPolarHBondContact O-CD 3.43Å
376I82Confident68Low9 Ų989.1 Ų89.15%0.04645%0.45CS..  trans-64.7115.2176.3-63.2170.5000107.1N351 V358 I366 E374 Y378 I379N351-I376 VanDerWaalsContact CB-O 3.24Å; N351-I376 WeakPolarHBondContact CB-O 3.35Å; N351-I376 PolarHBondContact ND2-O 3.3Å; V358-I376 HydrophobicContact CG1-CD1 4.07Å; I366-I376 HydrophobicContact CD1-CB 3.88Å; I366-I376 HydrophobicContact CD1-CD1 3.6Å; I366-I376 HydrophobicContact CD1-CG1 3.39Å; I366-I376 HydrophobicContact CD1-CG2 3.33Å; I366-I376 HydrophobicContact CG1-CG2 4.39Å; E374-I376 PolarHBondContact O-N 3.48Å; I376-Y378 WeakPolarHBondContact CG2-O 3.31Å; I376-Y378 PolarHBondContact O-N 3.11Å; I376-I379 HydrophobicContact CB-CD1 4.35Å; I376-I379 HydrophobicContact CD1-CD1 4.44Å; I376-I379 HydrophobicContact CG2-CD1 3.57Å; I376-I379 HydrophobicContact CG2-CG1 4.47Å
377P88.7Confident69.7Low47 Ų4785.4 Ų85.431%0.30543%0.431SS..SBendtrans-69-25.2-169.926.7-35.2000112.7N351 E352 V375N351-P377 CarbonylContact C-O 3.52Å; N351-P377 WeakPolarHBondContact CA-O 3.3Å; N351-P377 PolarHBondContact N-O 3.21Å; E352-P377 HydrophobicContact CG-CB 3.97Å; E352-P377 PolarHBondContact N-O 3.02Å; V375-P377 WeakPolarHBondContact O-CD 3.43Å
378Y92.1Very high71.3Confident105 Ų10584.7 Ų84.741%0.41242%0.42SS..EExtended strand (participates in β ladder)trans-160.1154.3175.147.1-95.2000112.1F283 G349 I376 T380F283-Y378 VanDerWaalsContact O-CB 3.28Å; F283-Y378 WeakPolarHBondContact O-CB 3.24Å; G349-Y378 CarbonylContact O-C 3.22Å; G349-Y378 WeakPolarHBondContact O-CA 3.47Å; I376-Y378 WeakPolarHBondContact CG2-O 3.31Å; I376-Y378 PolarHBondContact O-N 3.11Å; Y378-T380 HydrophobicContact CD2-CG2 3.75Å; Y378-T380 HydrophobicContact CE2-CG2 3.95Å
379I92.7Very high73Confident12 Ų1279.2 Ų79.26%0.06240%0.4CS..EExtended strand (participates in β ladder)trans-113.2112.4179.5-57.8-65.4000107.7W348 G349 N351 C356 V358 I376 Q381W348-I379 HydrophobicContact CB-CG2 4.16Å; G349-I379 PolarHBondContact N-O 3.41Å; G349-I379 PolarHBondContact O-N 3.06Å; N351-I379 HydrophobicContact CB-CG1 4.48Å; C356-I379 HydrophobicContact CB-CG1 3.96Å; V358-I379 HydrophobicContact CB-CD1 4.09Å; V358-I379 HydrophobicContact CG1-CD1 4.18Å; V358-I379 HydrophobicContact CG2-CD1 4.44Å; I376-I379 HydrophobicContact CB-CD1 4.35Å; I376-I379 HydrophobicContact CD1-CD1 4.44Å; I376-I379 HydrophobicContact CG2-CD1 3.57Å; I376-I379 HydrophobicContact CG2-CG1 4.47Å; I379-Q381 WeakPolarHBondContact CG2-O 3.49Å
380T92.6Very high75Confident58 Ų5872.3 Ų72.336%0.35637%0.368SS..EExtended strand (participates in β ladder)trans-84.2-17.7-168.7550000114.7G287 R288 Y378G287-T380 CarbonylContact C-O 3.54Å; G287-T380 WeakPolarHBondContact CA-O 3.43Å; R288-T380 PolarHBondContact N-O 3.14Å; Y378-T380 HydrophobicContact CD2-CG2 3.75Å; Y378-T380 HydrophobicContact CE2-CG2 3.95Å
381Q93.5Very high77.2Confident50 Ų5078.6 Ų78.623%0.23439%0.392CS..EExtended strand (participates in β ladder)trans-135153.6177.8-63.9-166.30.400110.5I379 Y383I379-Q381 WeakPolarHBondContact CG2-O 3.49Å; Q381-Y383 PolarHBondContact O-N 3.02Å
382P96.6Very high79.5Confident14 Ų1477.2 Ų77.29%0.09138%0.375CS..EExtended strand (participates in β ladder)trans-49.7117.8176.8-28.332.1000112.2G287 V314 F316 W346 W348G287-P382 WeakPolarHBondContact O-CD 3.45Å; V314-P382 HydrophobicContact CG1-CG 3.37Å; F316-P382 HydrophobicContact CD1-CB 3.45Å; F316-P382 VanDerWaalsContact CD1-CB 3.45Å; F316-P382 HydrophobicContact CD1-CG 3.87Å; F316-P382 HydrophobicContact CE1-CB 3.67Å; F316-P382 HydrophobicContact CE1-CG 3.83Å; F316-P382 HydrophobicContact CG-CB 4.24Å; F316-P382 HydrophobicContact CG-CG 4.39Å; F316-P382 HydrophobicContact CZ-CG 4.3Å; W346-P382 HydrophobicContact CE3-CB 3.85Å; W346-P382 HydrophobicContact CZ3-CB 4.49Å; W348-P382 HydrophobicContact CD2-CG 4.26Å; W348-P382 HydrophobicContact CE3-CB 4.04Å; W348-P382 HydrophobicContact CE3-CG 4.03Å; W348-P382 HydrophobicContact CZ3-CB 4.49Å; W348-P382 HydrophobicContact CZ3-CG 4.43Å
383Y93.9Very high81.8Confident69 Ų6975.7 Ų75.727%0.27137%0.373SS..EExtended strand (participates in β ladder)trans-105.2126.2175.5-176.8-92.3000109.3W346 V347 V358 Q381 I385W346-Y383 CarbonylContact C-O 3.58Å; W346-Y383 VanDerWaalsContact CA-O 3.29Å; W346-Y383 WeakPolarHBondContact CA-O 3.2Å; V347-Y383 HydrophobicContact CG2-CD1 4.31Å; V347-Y383 WeakPolarHBondContact CG2-O 3.23Å; V347-Y383 PolarHBondContact N-O 3.41Å; V347-Y383 PolarHBondContact O-N 2.85Å; V358-Y383 HydrophobicContact CG1-CD1 4.31Å; V358-Y383 HydrophobicContact CG1-CE1 4.03Å; V358-Y383 HydrophobicContact CG2-CD1 3.53Å; V358-Y383 HydrophobicContact CG2-CE1 3.82Å; V358-Y383 HydrophobicContact CG2-CG 4.26Å; Q381-Y383 PolarHBondContact O-N 3.02Å; Y383-I385 PolarHBondContact O-N 3.15Å
384R93.5Very high83.8Confident115 Ų11567.4 Ų67.443%0.43433%0.333SS..EExtended strand (participates in β ladder)trans-79.3111.3174.9-169.3177.667.7178.61.4109.6L318 Q344 L345 W346L318-R384 VanDerWaalsContact CD2-NH1 3.29Å; Q344-R384 HydrophobicContact CB-CG 4.24Å; L345-R384 WeakPolarHBondContact O-CA 3.27Å; W346-R384 HydrophobicContact CD2-CB 3.9Å; W346-R384 HydrophobicContact CD2-CG 4.27Å; W346-R384 HydrophobicContact CE3-CB 3.77Å; W346-R384 HydrophobicContact CH2-CB 3.89Å; W346-R384 HydrophobicContact CZ2-CB 4Å; W346-R384 HydrophobicContact CZ2-CG 4.16Å; W346-R384 HydrophobicContact CZ3-CB 3.77Å
385I89.3Confident85.4Confident8 Ų870.2 Ų70.24%0.04135%0.345CS..EExtended strand (participates in β ladder)trans-79.4139.5177.7-164.9166.8000110.3P23 L345 G357 Y383 F387P23-I385 HydrophobicContact CG-CD1 3.41Å; P23-I385 VanDerWaalsContact CG-CD1 3.41Å; P23-I385 HydrophobicContact CG-CG1 4.47Å; L345-I385 HydrophobicContact CB-CG2 3.63Å; L345-I385 HydrophobicContact CD2-CG2 3.59Å; L345-I385 HydrophobicContact CG-CG2 3.57Å; L345-I385 PolarHBondContact O-N 3.11Å; G357-I385 WeakPolarHBondContact O-CD1 3.39Å; Y383-I385 PolarHBondContact O-N 3.15Å; I385-F387 HydrophobicContact CD1-CE1 4.39Å; I385-F387 HydrophobicContact CG2-CE1 4.04Å; I385-F387 HydrophobicContact CG2-CZ 4.31Å
386S83Confident86.8Confident86 Ų8668.2 Ų68.260%0.60133%0.333SS*.  trans-115.7116.9170.3-178.60000109R388 Y394S386-R388 PolarHBondContact O-N 2.79Å; S386-Y394 WeakPolarHBondContact CA-OH 3.42Å
387F81.3Confident87.5Confident6 Ų672.2 Ų72.23%0.02635%0.349CS..  trans-70.297.5176.9-56.9-49000110.5L2 W4 P23 L345 I385 C389 F390 Y394 V396 A408 V410L2-F387 HydrophobicContact CD1-CD1 4.15Å; L2-F387 HydrophobicContact CD1-CD2 3.76Å; L2-F387 HydrophobicContact CD1-CE1 3.95Å; L2-F387 HydrophobicContact CD1-CE2 3.56Å; L2-F387 HydrophobicContact CD1-CG 4.06Å; L2-F387 HydrophobicContact CD1-CZ 3.65Å; W4-F387 HydrophobicContact CZ3-CE1 4.47Å; P23-F387 HydrophobicContact CB-CD1 3.63Å; P23-F387 HydrophobicContact CB-CE1 3.71Å; P23-F387 HydrophobicContact CG-CD1 3.7Å; P23-F387 HydrophobicContact CG-CE1 3.63Å; L345-F387 HydrophobicContact CB-CZ 4.39Å; L345-F387 HydrophobicContact CD2-CE1 4.08Å; L345-F387 HydrophobicContact CD2-CZ 3.57Å; I385-F387 HydrophobicContact CD1-CE1 4.39Å; I385-F387 HydrophobicContact CG2-CE1 4.04Å; I385-F387 HydrophobicContact CG2-CZ 4.31Å; F387-C389 PolarHBondContact O-N 3.4Å; F387-C389 VanDerWaalsContact O-N 3.17Å; F387-F390 HydrophobicContact CB-CD2 3.46Å; F387-F390 VanDerWaalsContact CB-CD2 3.46Å; F387-F390 HydrophobicContact CB-CE2 3.64Å; F387-F390 HydrophobicContact CB-CG 4.48Å; F387-F390 HydrophobicContact CD2-CD2 4.01Å; F387-F390 AromaticContact CD2-CE2 3.64Å; F387-F390 HydrophobicContact CD2-CE2 3.64Å; F387-F390 HydrophobicContact CG-CD2 4.14Å; F387-F390 AromaticContact CG-CE2 3.88Å; F387-F390 HydrophobicContact CG-CE2 3.88Å; F387-F390 PolarHBondContact O-N 2.71Å; F387-Y394 HydrophobicContact CB-CE1 4.14Å; F387-Y394 AromaticContact CD2-CD2 3.76Å; F387-Y394 HydrophobicContact CD2-CD2 3.76Å; F387-Y394 HydrophobicContact CD2-CE1 4.26Å; F387-Y394 AromaticContact CD2-CE2 3.21Å; F387-Y394 HydrophobicContact CD2-CE2 3.21Å; F387-Y394 HydrophobicContact CD2-CG 4.48Å; F387-Y394 AromaticContact CD2-CZ 3.5Å; F387-Y394 VanDerWaalsContact CD2-CZ 3.5Å; F387-Y394 HydrophobicContact CE2-CD2 4.18Å; F387-Y394 AromaticContact CE2-CE2 3.71Å; F387-Y394 HydrophobicContact CE2-CE2 3.71Å; F387-Y394 HydrophobicContact CG-CE2 4.21Å; F387-Y394 PolarHBondContact N-OH 2.8Å; F387-V396 HydrophobicContact CE2-CG2 3.65Å; F387-V396 HydrophobicContact CZ-CG2 4.24Å; F387-A408 HydrophobicContact CZ-CB 4.45Å; F387-V410 HydrophobicContact CD2-CG1 4.3Å; F387-V410 HydrophobicContact CE2-CG1 3.81Å
388R69.8Low88Confident177 Ų17773.4 Ų73.467%0.66835%0.348SS*.THydrogen-bonded Turntrans-63.2-17.9177.9-62.7-177-177.8174.73.9113.3S386 F390S386-R388 PolarHBondContact O-N 2.79Å; R388-F390 PolarHBondContact O-N 3.36Å
389C71Confident88.3Confident59 Ų5969.3 Ų69.340%0.39933%0.333SS..THydrogen-bonded Turntrans-72.5-7.9179.155.50000114I25 F387I25-C389 HydrophobicContact CD1-CB 3.91Å; I25-C389 HydrophobicContact CG1-CB 4.46Å; F387-C389 PolarHBondContact O-N 3.4Å; F387-C389 VanDerWaalsContact O-N 3.17Å
390F76.4Confident88.5Confident28 Ų2868.9 Ų68.912%0.12333%0.332CS..  trans-109.3125.2178.1-55.4-48.6000111.8L2 I25 F387 R388 Q392 Y394 V410 F412L2-F390 HydrophobicContact CD1-CE2 3.69Å; L2-F390 HydrophobicContact CD1-CZ 3.77Å; L2-F390 HydrophobicContact CD2-CE2 4.18Å; L2-F390 HydrophobicContact CD2-CZ 3.81Å; L2-F390 HydrophobicContact CG-CE2 4.37Å; L2-F390 HydrophobicContact CG-CZ 4.01Å; I25-F390 HydrophobicContact CD1-CD1 3.93Å; I25-F390 HydrophobicContact CD1-CE1 3.25Å; I25-F390 HydrophobicContact CD1-CZ 3.98Å; I25-F390 HydrophobicContact CG1-CE1 3.69Å; I25-F390 HydrophobicContact CG1-CZ 3.9Å; F387-F390 HydrophobicContact CB-CD2 3.46Å; F387-F390 VanDerWaalsContact CB-CD2 3.46Å; F387-F390 HydrophobicContact CB-CE2 3.64Å; F387-F390 HydrophobicContact CB-CG 4.48Å; F387-F390 HydrophobicContact CD2-CD2 4.01Å; F387-F390 AromaticContact CD2-CE2 3.64Å; F387-F390 HydrophobicContact CD2-CE2 3.64Å; F387-F390 HydrophobicContact CG-CD2 4.14Å; F387-F390 AromaticContact CG-CE2 3.88Å; F387-F390 HydrophobicContact CG-CE2 3.88Å; F387-F390 PolarHBondContact O-N 2.71Å; R388-F390 PolarHBondContact O-N 3.36Å; F390-Q392 VanDerWaalsContact C-N 3.25Å; F390-Y394 HydrophobicContact CB-CD1 3.9Å; F390-Y394 HydrophobicContact CB-CE1 4.31Å; F390-Y394 AromaticContact CD2-CD1 3.51Å; F390-Y394 HydrophobicContact CD2-CD1 3.51Å; F390-Y394 HydrophobicContact CD2-CD2 4.48Å; F390-Y394 AromaticContact CD2-CE1 3.87Å; F390-Y394 HydrophobicContact CD2-CE1 3.87Å; F390-Y394 AromaticContact CD2-CG 3.85Å; F390-Y394 HydrophobicContact CD2-CG 3.85Å; F390-Y394 HydrophobicContact CE2-CD1 4.45Å; F390-Y394 HydrophobicContact CE2-CG 4.4Å; F390-Y394 HydrophobicContact CG-CD1 4.12Å; F390-V410 HydrophobicContact CE2-CG1 4.46Å; F390-V410 HydrophobicContact CE2-CG2 3.96Å; F390-V410 HydrophobicContact CZ-CG2 3.72Å; F390-F412 HydrophobicContact CB-CE1 4.23Å; F390-F412 AromaticContact CD1-CE1 3.37Å; F390-F412 HydrophobicContact CD1-CE1 3.37Å; F390-F412 AromaticContact CD1-CZ 3.48Å; F390-F412 HydrophobicContact CD1-CZ 3.48Å; F390-F412 VanDerWaalsContact CD1-CZ 3.48Å; F390-F412 HydrophobicContact CD2-CE1 4.15Å; F390-F412 AromaticContact CE1-CE1 3.64Å; F390-F412 HydrophobicContact CE1-CE1 3.64Å; F390-F412 AromaticContact CE1-CZ 3.29Å; F390-F412 HydrophobicContact CE1-CZ 3.29Å; F390-F412 HydrophobicContact CE2-CE1 4.38Å; F390-F412 AromaticContact CG-CE1 3.66Å; F390-F412 HydrophobicContact CG-CE1 3.66Å; F390-F412 HydrophobicContact CG-CZ 4.21Å; F390-F412 HydrophobicContact CZ-CE1 4.14Å; F390-F412 AromaticContact CZ-CZ 3.91Å; F390-F412 HydrophobicContact CZ-CZ 3.91Å
391N76.8Confident88.8Confident173 Ų17366.7 Ų66.793%0.92532%0.319SS*.SBendtrans-87.78.7171.8-69.3-11.2000112.8
392Q80.4Confident89Confident106 Ų10664.3 Ų64.350%0.49531%0.308SS..SBendtrans-138.1158.1-174.366.2-169.67.400110.8F390 Y394 F412F390-Q392 VanDerWaalsContact C-N 3.25Å; Q392-Y394 PolarHBondContact O-N 2.74Å; Q392-F412 HydrophobicContact CG-CD1 3.54Å; Q392-F412 HydrophobicContact CG-CE1 3.99Å; Q392-F412 HydrophobicContact CG-CG 4.27Å
393N87.4Confident89.1Confident146 Ų14664.9 Ų64.978%0.78131%0.309SS*.  trans-62.3133.6176.5-75.7-24.5000110.6G413N393-G413 PolarHBondContact O-N 3.39Å
394Y91.6Very high89.2Confident27 Ų2762.2 Ų62.211%0.10630%0.302CS..EExtended strand (participates in β ladder)trans-131.5159.4178.661.6-91.7000110.4S386 F387 F390 Q392 V396 V410 E411S386-Y394 WeakPolarHBondContact CA-OH 3.42Å; F387-Y394 HydrophobicContact CB-CE1 4.14Å; F387-Y394 AromaticContact CD2-CD2 3.76Å; F387-Y394 HydrophobicContact CD2-CD2 3.76Å; F387-Y394 HydrophobicContact CD2-CE1 4.26Å; F387-Y394 AromaticContact CD2-CE2 3.21Å; F387-Y394 HydrophobicContact CD2-CE2 3.21Å; F387-Y394 HydrophobicContact CD2-CG 4.48Å; F387-Y394 AromaticContact CD2-CZ 3.5Å; F387-Y394 VanDerWaalsContact CD2-CZ 3.5Å; F387-Y394 HydrophobicContact CE2-CD2 4.18Å; F387-Y394 AromaticContact CE2-CE2 3.71Å; F387-Y394 HydrophobicContact CE2-CE2 3.71Å; F387-Y394 HydrophobicContact CG-CE2 4.21Å; F387-Y394 PolarHBondContact N-OH 2.8Å; F390-Y394 HydrophobicContact CB-CD1 3.9Å; F390-Y394 HydrophobicContact CB-CE1 4.31Å; F390-Y394 AromaticContact CD2-CD1 3.51Å; F390-Y394 HydrophobicContact CD2-CD1 3.51Å; F390-Y394 HydrophobicContact CD2-CD2 4.48Å; F390-Y394 AromaticContact CD2-CE1 3.87Å; F390-Y394 HydrophobicContact CD2-CE1 3.87Å; F390-Y394 AromaticContact CD2-CG 3.85Å; F390-Y394 HydrophobicContact CD2-CG 3.85Å; F390-Y394 HydrophobicContact CE2-CD1 4.45Å; F390-Y394 HydrophobicContact CE2-CG 4.4Å; F390-Y394 HydrophobicContact CG-CD1 4.12Å; Q392-Y394 PolarHBondContact O-N 2.74Å; Y394-V396 HydrophobicContact CD2-CG2 4.49Å; Y394-V396 HydrophobicContact CE2-CG2 4.45Å; Y394-V410 HydrophobicContact CD2-CG1 4.39Å; Y394-E411 CarbonylContact C-O 3.55Å; Y394-E411 WeakPolarHBondContact CA-O 3.13Å
395K94.4Very high89.5Confident133 Ų13356.7 Ų56.758%0.57828%0.281SS*.EExtended strand (participates in β ladder)trans-128130.8167.5-68.9-175.7177.9177.70109.2K397 V410 E411K395-K397 PolarHBondContact O-N 3.3Å; K395-V410 CarbonylContact O-C 3.57Å; K395-V410 VanDerWaalsContact O-CA 3.29Å; K395-V410 WeakPolarHBondContact O-CA 3.16Å; K395-E411 PolarHBondContact N-O 2.63Å; K395-E411 PolarHBondContact O-N 2.98Å
396V96.2Very high89.9Confident5 Ų556.3 Ų56.33%0.0328%0.279CS..EExtended strand (participates in β ladder)trans-74.3124.2169.1-167.80000108.1I339 G343 L345 F387 Y394 I399 A408 V410I339-V396 HydrophobicContact CD1-CB 4.25Å; I339-V396 HydrophobicContact CD1-CG1 3.74Å; I339-V396 HydrophobicContact CG1-CB 4.39Å; I339-V396 HydrophobicContact CG1-CG1 4.05Å; I339-V396 HydrophobicContact CG2-CB 4.33Å; I339-V396 WeakPolarHBondContact CG2-O 3.49Å; G343-V396 WeakPolarHBondContact O-CG2 3.35Å; G343-V396 PolarHBondContact O-N 2.95Å; L345-V396 HydrophobicContact CB-CG2 3.8Å; F387-V396 HydrophobicContact CE2-CG2 3.65Å; F387-V396 HydrophobicContact CZ-CG2 4.24Å; Y394-V396 HydrophobicContact CD2-CG2 4.49Å; Y394-V396 HydrophobicContact CE2-CG2 4.45Å; V396-I399 HydrophobicContact CG1-CG2 3.84Å; V396-A408 HydrophobicContact CG1-CB 3.94Å; V396-V410 HydrophobicContact CB-CG1 4.46Å; V396-V410 HydrophobicContact CG2-CG1 4.02Å
397K96.5Very high90.7Very high92 Ų9252.2 Ų52.240%0.425%0.251SS..EExtended strand (participates in β ladder)trans-104.2-42.7-176-145.3-166.6-166.1-179.70112.2K395 Y409 E411K395-K397 PolarHBondContact O-N 3.3Å; K397-Y409 HydrophobicContact CB-CD1 4.47Å; K397-Y409 PolarHBondContact N-O 2.96Å; K397-E411 VanDerWaalsContact CD-CD 3.45Å; K397-E411 HydrophobicContact CD-CG 4.17Å; K397-E411 WeakPolarHBondContact CD-OE1 3.03Å; K397-E411 WeakPolarHBondContact CD-OE2 3.42Å; K397-E411 VanDerWaalsContact CE-OE1 3.27Å; K397-E411 WeakPolarHBondContact CE-OE1 3.47Å; K397-E411 VanDerWaalsContact CE-OE2 3.29Å; K397-E411 WeakPolarHBondContact CE-OE2 2.94Å; K397-E411 IonicContact NZ-OE1 2.68Å; K397-E411 PolarHBondContact NZ-OE1 3.13Å; K397-E411 IonicContact NZ-OE2 3.51Å
398Y98.1Very high91.4Very high73 Ų7352 Ų5229%0.28625%0.249SC..EExtended strand (participates in β ladder)trans-133.7144.2179.8-52.9-72000110.4V32 A33 A408 Y409V32-Y398 WeakPolarHBondContact O-CD2 3.27Å; V32-Y398 WeakPolarHBondContact O-CE2 2.87Å; A33-Y398 VanDerWaalsContact O-CD1 3.28Å; A33-Y398 WeakPolarHBondContact O-CD1 3.25Å; A33-Y398 WeakPolarHBondContact O-CE1 3.21Å; Y398-A408 CarbonylContact O-C 3.01Å; Y398-A408 WeakPolarHBondContact O-CA 3.34Å; Y398-Y409 AromaticContact CD2-CD1 3.99Å; Y398-Y409 HydrophobicContact CD2-CD1 3.99Å; Y398-Y409 HydrophobicContact CD2-CG 4.45Å; Y398-Y409 HydrophobicContact CE2-CD1 4.46Å; Y398-Y409 PolarHBondContact N-O 2.77Å; Y398-Y409 PolarHBondContact O-N 3.37Å
399I98.6Very high92.7Very high18 Ų1845.3 Ų45.39%0.09223%0.225CC..EExtended strand (participates in β ladder)trans-130.7153.8174.750.5167.5000109.5T328 A330 L337 I339 L345 V396 M407 A408T328-I399 HydrophobicContact CG2-CD1 4.22Å; T328-I399 HydrophobicContact CG2-CG1 4.11Å; A330-I399 HydrophobicContact CB-CD1 3.87Å; A330-I399 HydrophobicContact CB-CG1 4.16Å; L337-I399 HydrophobicContact CB-CD1 3.72Å; L337-I399 HydrophobicContact CD2-CB 4.21Å; L337-I399 HydrophobicContact CD2-CG2 4.27Å; I339-I399 HydrophobicContact CD1-CB 4.32Å; I339-I399 HydrophobicContact CD1-CD1 4.45Å; I339-I399 HydrophobicContact CD1-CG1 3.92Å; I339-I399 HydrophobicContact CD1-CG2 3.78Å; I339-I399 HydrophobicContact CG1-CB 4.41Å; I339-I399 HydrophobicContact CG1-CD1 3.9Å; I339-I399 HydrophobicContact CG1-CG1 3.91Å; I339-I399 HydrophobicContact CG1-CG2 3.71Å; L345-I399 HydrophobicContact CD1-CG2 3.73Å; V396-I399 HydrophobicContact CG1-CG2 3.84Å; I399-M407 WeakPolarHBondContact CA-O 3.46Å; I399-A408 HydrophobicContact CG2-CB 4.16Å
400G98.5Very high93.8Very high4 Ų443 Ų434%0.04121%0.209CC..EExtended strand (participates in β ladder)trans-162.7160.9167.700000110.3M407G400-M407 PolarHBondContact N-O 2.78Å; G400-M407 PolarHBondContact O-N 3.2Å
401C98.5Very high94.5Very high11 Ų1145.5 Ų45.57%0.07422%0.221CC..EExtended strand (participates in β ladder)trans-127.8151.4-179.3-55.60000109.2G37 C331 L337 H405G37-C401 WeakPolarHBondContact CA-O 3.28Å; G37-C401 PolarHBondContact N-O 3.26Å; C331-C401 WeakPolarHBondContact O-CB 3.14Å; L337-C401 WeakPolarHBondContact CD1-SG 3.47Å; C401-H405 CarbonylContact C-O 3.37Å; C401-H405 WeakPolarHBondContact CA-O 3.5Å
402G97.9Very high95Very high1 Ų141.7 Ų41.71%0.0120%0.196CC..  trans-100.1-168.6148.200000111.1G37 G332 G404 H405G37-G402 VanDerWaalsContact CA-CA 3.47Å; G37-G402 WeakPolarHBondContact O-CA 3.41Å; G332-G402 WeakPolarHBondContact CA-O 3.44Å; G402-G404 VanDerWaalsContact C-N 3.33Å; G402-G404 PolarHBondContact O-N 3.34Å; G402-H405 VanDerWaalsContact CA-CE1 3.45Å; G402-H405 WeakPolarHBondContact CA-CE1 3.35Å; G402-H405 PolarHBondContact N-O 2.85Å
403Y97.3Very high94.7Very high26 Ų2639 Ų3910%0.10220%0.197CC..SBendtrans-70.8-34-176.6-62.7-20.3000112.1G38 W88 G136 L137 W263 S333 M355G38-Y403 PolarHBondContact O-N 2.94Å; W88-Y403 HydrophobicContact CB-CE2 3.97Å; W88-Y403 HydrophobicContact CD2-CD2 4.29Å; W88-Y403 HydrophobicContact CD2-CE2 4.23Å; W88-Y403 AromaticContact CE3-CD2 3.25Å; W88-Y403 HydrophobicContact CE3-CD2 3.25Å; W88-Y403 AromaticContact CE3-CE2 3.45Å; W88-Y403 HydrophobicContact CE3-CE2 3.45Å; W88-Y403 VanDerWaalsContact CE3-CE2 3.45Å; W88-Y403 HydrophobicContact CG-CE2 4.49Å; W88-Y403 AromaticContact CZ3-CD2 3.59Å; W88-Y403 HydrophobicContact CZ3-CD2 3.59Å; W88-Y403 HydrophobicContact CZ3-CE2 4.26Å; W88-Y403 PolarHBondContact N-OH 2.92Å; G136-Y403 PolarHBondContact O-OH 2.87Å; L137-Y403 HydrophobicContact CD1-CE2 3.85Å; W263-Y403 AromaticContact CE2-CD2 3.99Å; W263-Y403 AromaticContact CE2-CG 3.99Å; W263-Y403 AromaticContact CZ2-CD2 3.71Å; W263-Y403 HydrophobicContact CZ2-CD2 3.71Å; W263-Y403 HydrophobicContact CZ2-CE2 4.23Å; W263-Y403 AromaticContact CZ2-CG 3.99Å; W263-Y403 HydrophobicContact CZ2-CG 3.99Å; W263-Y403 AromaticContact NE1-CD1 3.42Å; W263-Y403 AromaticContact NE1-CD2 3.63Å; W263-Y403 AromaticContact NE1-CE1 3.52Å; W263-Y403 AromaticContact NE1-CE2 3.69Å; W263-Y403 AromaticContact NE1-CG 3.48Å; W263-Y403 AromaticContact NE1-CZ 3.65Å; S333-Y403 VanDerWaalsContact CB-O 3.27Å; S333-Y403 WeakPolarHBondContact CB-O 3.36Å; S333-Y403 PolarHBondContact N-O 3.45Å; S333-Y403 PolarHBondContact OG-O 2.89Å; M355-Y403 WeakPolarHBondContact CE-O 3.39Å
404G97.7Very high93.4Very high12 Ų1241.3 Ų41.312%0.12422%0.224CC..SBendtrans-108.1-4.2-178.600000115A6 G402A6-G404 WeakPolarHBondContact CB-O 3.1Å; A6-G404 PolarHBondContact N-O 3.15Å; G402-G404 VanDerWaalsContact C-N 3.33Å; G402-G404 PolarHBondContact O-N 3.34Å
405H98.4Very high93.5Very high0 Ų042 Ų420%023%0.23CC..EExtended strand (participates in β ladder)trans-150.9164.1-164.363.4-72.4000113.4W4 L12 S42 C401 G402W4-H405 CarbonylContact O-C 3.59Å; W4-H405 WeakPolarHBondContact O-CA 3.29Å; W4-H405 WeakPolarHBondContact O-CB 3.47Å; L12-H405 HydrophobicContact CD2-CB 3.61Å; S42-H405 PolarHBondContact OG-NE2 2.84Å; C401-H405 CarbonylContact C-O 3.37Å; C401-H405 WeakPolarHBondContact CA-O 3.5Å; G402-H405 VanDerWaalsContact CA-CE1 3.45Å; G402-H405 WeakPolarHBondContact CA-CE1 3.35Å; G402-H405 PolarHBondContact N-O 2.85Å
406S98.7Very high93.5Very high0 Ų037.2 Ų37.20%021%0.212CC..EExtended strand (participates in β ladder)trans-132.9149.4-173.6-73.20000111T3 W4 H335 M355T3-S406 WeakPolarHBondContact CA-O 3.44Å; W4-S406 VanDerWaalsContact CZ2-CB 3.4Å; W4-S406 PolarHBondContact N-O 2.71Å; W4-S406 VanDerWaalsContact NE1-CB 3.25Å; W4-S406 PolarHBondContact O-N 2.9Å; H335-S406 PolarHBondContact CD2-OG 3.25Å; H335-S406 PolarHBondContact NE2-OG 3.01Å; M355-S406 WeakPolarHBondContact O-CB 3.39Å; M355-S406 PolarHBondContact O-OG 3.21Å
407M98.4Very high93.3Very high0 Ų039 Ų390%022%0.222CC..EExtended strand (participates in β ladder)trans-143.1143.1-177.4-63.6175.3-82.700110.3L2 T3 I35 F70 I399 G400L2-M407 CarbonylContact O-C 3.54Å; L2-M407 WeakPolarHBondContact O-CA 3.14Å; T3-M407 HydrophobicContact CG2-CG 3.85Å; I35-M407 HydrophobicContact CG2-CB 3.58Å; I35-M407 HydrophobicContact CG2-CE 3.69Å; I35-M407 HydrophobicContact CG2-CG 4.37Å; I35-M407 HydrophobicContact CG2-SD 3.96Å; F70-M407 HydrophobicContact CZ-SD 4.02Å; I399-M407 WeakPolarHBondContact CA-O 3.46Å; G400-M407 PolarHBondContact N-O 2.78Å; G400-M407 PolarHBondContact O-N 3.2Å
408A97.6Very high93.1Very high0 Ų035.9 Ų35.90%021%0.211CC..EExtended strand (participates in β ladder)trans-143.2132.5177.200000111.8L2 W4 L345 F387 V396 Y398 I399L2-A408 PolarHBondContact N-O 3.06Å; L2-A408 PolarHBondContact O-N 3.47Å; W4-A408 HydrophobicContact CH2-CB 3.77Å; W4-A408 HydrophobicContact CZ3-CB 3.86Å; L345-A408 HydrophobicContact CD2-CB 4.35Å; F387-A408 HydrophobicContact CZ-CB 4.45Å; V396-A408 HydrophobicContact CG1-CB 3.94Å; Y398-A408 CarbonylContact O-C 3.01Å; Y398-A408 WeakPolarHBondContact O-CA 3.34Å; I399-A408 HydrophobicContact CG2-CB 4.16Å
409Y96.6Very high92.8Very high38 Ų3833.6 Ų33.615%0.14921%0.207CC..EExtended strand (participates in β ladder)trans-96.7129.7169-171.3-99.1000109.7M1 V32 K397 Y398 E411M1-Y409 HydrophobicContact CB-CD2 4.45Å; M1-Y409 HydrophobicContact CE-CD2 4.04Å; M1-Y409 HydrophobicContact SD-CD2 4.45Å; V32-Y409 HydrophobicContact CB-CD2 3.69Å; V32-Y409 HydrophobicContact CB-CE2 4.08Å; V32-Y409 HydrophobicContact CB-CG 3.97Å; V32-Y409 HydrophobicContact CG2-CD2 3.94Å; V32-Y409 HydrophobicContact CG2-CE2 4.12Å; K397-Y409 HydrophobicContact CB-CD1 4.47Å; K397-Y409 PolarHBondContact N-O 2.96Å; Y398-Y409 AromaticContact CD2-CD1 3.99Å; Y398-Y409 HydrophobicContact CD2-CD1 3.99Å; Y398-Y409 HydrophobicContact CD2-CG 4.45Å; Y398-Y409 HydrophobicContact CE2-CD1 4.46Å; Y398-Y409 PolarHBondContact N-O 2.77Å; Y398-Y409 PolarHBondContact O-N 3.37Å; Y409-E411 HydrophobicContact CE1-CG 4.21Å
410V94.6Very high92.5Very high11 Ų1134.6 Ų34.67%0.06721%0.214CC..EExtended strand (participates in β ladder)trans-118.5143.9-177.7-64.80000110.4L2 F387 F390 Y394 K395 V396 F412L2-V410 HydrophobicContact CD1-CB 4.46Å; L2-V410 HydrophobicContact CD1-CG1 3.55Å; L2-V410 HydrophobicContact CD1-CG2 4.02Å; F387-V410 HydrophobicContact CD2-CG1 4.3Å; F387-V410 HydrophobicContact CE2-CG1 3.81Å; F390-V410 HydrophobicContact CE2-CG1 4.46Å; F390-V410 HydrophobicContact CE2-CG2 3.96Å; F390-V410 HydrophobicContact CZ-CG2 3.72Å; Y394-V410 HydrophobicContact CD2-CG1 4.39Å; K395-V410 CarbonylContact O-C 3.57Å; K395-V410 VanDerWaalsContact O-CA 3.29Å; K395-V410 WeakPolarHBondContact O-CA 3.16Å; V396-V410 HydrophobicContact CB-CG1 4.46Å; V396-V410 HydrophobicContact CG2-CG1 4.02Å; V410-F412 HydrophobicContact CG2-CZ 4.34Å
411E91.1Very high92Very high80 Ų8036.8 Ų36.837%0.37423%0.227SC..EExtended strand (participates in β ladder)trans-107.8138.4166.4-72.6-179.1163.200109Y394 K395 K397 Y409Y394-E411 CarbonylContact C-O 3.55Å; Y394-E411 WeakPolarHBondContact CA-O 3.13Å; K395-E411 PolarHBondContact N-O 2.63Å; K395-E411 PolarHBondContact O-N 2.98Å; K397-E411 VanDerWaalsContact CD-CD 3.45Å; K397-E411 HydrophobicContact CD-CG 4.17Å; K397-E411 WeakPolarHBondContact CD-OE1 3.03Å; K397-E411 WeakPolarHBondContact CD-OE2 3.42Å; K397-E411 VanDerWaalsContact CE-OE1 3.27Å; K397-E411 WeakPolarHBondContact CE-OE1 3.47Å; K397-E411 VanDerWaalsContact CE-OE2 3.29Å; K397-E411 WeakPolarHBondContact CE-OE2 2.94Å; K397-E411 IonicContact NZ-OE1 2.68Å; K397-E411 PolarHBondContact NZ-OE1 3.13Å; K397-E411 IonicContact NZ-OE2 3.51Å; Y409-E411 HydrophobicContact CE1-CG 4.21Å
412F86.2Confident91.5Very high92 Ų9238.8 Ų38.840%0.40424%0.239SC..EExtended strand (participates in β ladder)trans-87.9140.3173-61.5-69.4000109.7F390 Q392 V410 S414F390-F412 HydrophobicContact CB-CE1 4.23Å; F390-F412 AromaticContact CD1-CE1 3.37Å; F390-F412 HydrophobicContact CD1-CE1 3.37Å; F390-F412 AromaticContact CD1-CZ 3.48Å; F390-F412 HydrophobicContact CD1-CZ 3.48Å; F390-F412 VanDerWaalsContact CD1-CZ 3.48Å; F390-F412 HydrophobicContact CD2-CE1 4.15Å; F390-F412 AromaticContact CE1-CE1 3.64Å; F390-F412 HydrophobicContact CE1-CE1 3.64Å; F390-F412 AromaticContact CE1-CZ 3.29Å; F390-F412 HydrophobicContact CE1-CZ 3.29Å; F390-F412 HydrophobicContact CE2-CE1 4.38Å; F390-F412 AromaticContact CG-CE1 3.66Å; F390-F412 HydrophobicContact CG-CE1 3.66Å; F390-F412 HydrophobicContact CG-CZ 4.21Å; F390-F412 HydrophobicContact CZ-CE1 4.14Å; F390-F412 AromaticContact CZ-CZ 3.91Å; F390-F412 HydrophobicContact CZ-CZ 3.91Å; Q392-F412 HydrophobicContact CG-CD1 3.54Å; Q392-F412 HydrophobicContact CG-CE1 3.99Å; Q392-F412 HydrophobicContact CG-CG 4.27Å; V410-F412 HydrophobicContact CG2-CZ 4.34Å; F412-S414 PolarHBondContact O-N 3.34Å
413G75.7Confident91Very high50 Ų5041.9 Ų41.952%0.51526%0.258SS..  trans-59137.5168.600000109.7N393N393-G413 PolarHBondContact O-N 3.39Å
414S59.9Low90.4Very high194 Ų19443.4 Ų43.4100%1.35727%0.272SS*.  trans-63.80169.657.10000112F412F412-S414 PolarHBondContact O-N 3.34Å

Retrieved 414 of 414 residues in 128.6 ms (Link to these results)

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