A0A087YAB7_POEFO Loading...

Ceramide kinase-like

AlphaFold DB , UniProt , Accession A0A087YAB7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 499 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
1M94.6Very high93.1Very high83 Ų8388.9 Ų88.941%0.40944%0.442SS..  0136.90-175.3-179.7-81.500108.2L16 W100 T103M1-L16 HydrophobicContact CB-CB 4.32Å; M1-L16 PolarHBondContact N-O 3.17Å; M1-L16 PolarHBondContact O-N 3.16Å; M1-W100 HydrophobicContact CB-CZ2 4.31Å; M1-W100 HydrophobicContact CG-CD2 4.32Å; M1-W100 HydrophobicContact CG-CH2 4.41Å; M1-W100 HydrophobicContact CG-CZ2 3.68Å; M1-W100 HydrophobicContact SD-CB 4.41Å; M1-W100 HydrophobicContact SD-CD2 3.59Å; M1-W100 VanDerWaalsContact SD-CD2 3.59Å; M1-W100 HydrophobicContact SD-CE3 4.36Å; M1-W100 HydrophobicContact SD-CG 3.61Å; M1-W100 HydrophobicContact SD-CZ2 4.08Å; M1-W100 PolarHBondContact SD-NE1 3.15Å; M1-W100 VanDerWaalsContact SD-NE1 3.38Å; M1-T103 HydrophobicContact CE-CG2 4.12Å; M1-T103 WeakPolarHBondContact CE-OG1 3.29Å
2R95.8Very high93.3Very high179 Ų17982.9 Ų82.968%0.67541%0.412SS*.EExtended strand (participates in β ladder)trans-125.1143.1179.7-170.1178-175.9177.62.2109.8D13 V14 L15R2-D13 WeakPolarHBondContact CG-OD1 2.99Å; R2-D13 IonicContact CZ-OD1 3.76Å; R2-D13 IonicContact CZ-OD2 3.1Å; R2-D13 IonicContact NE-OD1 2.88Å; R2-D13 PolarHBondContact NE-OD1 3.42Å; R2-D13 IonicContact NE-OD2 2.84Å; R2-D13 PolarHBondContact NE-OD2 2.55Å; R2-D13 IonicContact NH2-OD1 3.81Å; R2-D13 IonicContact NH2-OD2 2.63Å; R2-D13 PolarHBondContact NH2-OD2 2.66Å; R2-V14 WeakPolarHBondContact CA-O 3.43Å; R2-L15 HydrophobicContact CB-CD1 4.28Å
3G95.3Very high93.4Very high9 Ų979.4 Ų79.49%0.09340%0.395CS..EExtended strand (participates in β ladder)trans-169.7162.4-17300000112.5V14G3-V14 PolarHBondContact N-O 3.36Å; G3-V14 WeakPolarHBondContact O-CA 3Å; G3-V14 WeakPolarHBondContact O-CB 3.44Å; G3-V14 PolarHBondContact O-N 2.82Å
4I95.4Very high93.7Very high96 Ų9673.7 Ų73.749%0.49237%0.367SS..EExtended strand (participates in β ladder)trans-102.4125-178-59.2175000109H12 I26 N91I4-H12 WeakPolarHBondContact CA-O 3.22Å; I4-I26 HydrophobicContact CD1-CD1 4.26Å; I4-I26 HydrophobicContact CG1-CD1 4.21Å; I4-I26 HydrophobicContact CG2-CD1 3.9Å; I4-N91 PolarHBondContact O-ND2 2.91Å
5F96.3Very high93.9Very high2 Ų273.6 Ų73.61%0.00937%0.368CS..EExtended strand (participates in β ladder)trans-131.6153.8175.2-67.4-95.7000110.5H12 V14 L89 N91 H96 W100F5-H12 PolarHBondContact N-O 3.03Å; F5-H12 VanDerWaalsContact N-O 3.11Å; F5-H12 PolarHBondContact O-N 2.77Å; F5-V14 HydrophobicContact CB-CG2 3.87Å; F5-V14 HydrophobicContact CD2-CB 3.89Å; F5-V14 HydrophobicContact CD2-CG1 4.44Å; F5-V14 HydrophobicContact CD2-CG2 3.72Å; F5-V14 HydrophobicContact CG-CG2 4.23Å; F5-L89 HydrophobicContact CB-CB 4.17Å; F5-L89 HydrophobicContact CB-CD2 4.48Å; F5-L89 HydrophobicContact CD1-CB 3.61Å; F5-L89 HydrophobicContact CE1-CB 4.18Å; F5-L89 HydrophobicContact CG-CB 3.95Å; F5-N91 HydrophobicContact CD1-CB 3.59Å; F5-N91 HydrophobicContact CE1-CB 3.65Å; F5-H96 AromaticContact CE2-NE2 3.58Å; F5-H96 AromaticContact CZ-CD2 3.55Å; F5-H96 AromaticContact CZ-NE2 3.52Å; F5-W100 AromaticContact CE2-CD2 3.7Å; F5-W100 HydrophobicContact CE2-CD2 3.7Å; F5-W100 AromaticContact CE2-CE2 3.54Å; F5-W100 AromaticContact CE2-CE3 3.98Å; F5-W100 HydrophobicContact CE2-CE3 3.98Å; F5-W100 HydrophobicContact CE2-CG 4.25Å; F5-W100 HydrophobicContact CE2-CH2 4.03Å; F5-W100 AromaticContact CE2-CZ2 3.76Å; F5-W100 HydrophobicContact CE2-CZ2 3.76Å; F5-W100 HydrophobicContact CE2-CZ3 4.11Å; F5-W100 AromaticContact CE2-NE1 3.94Å; F5-W100 HydrophobicContact CZ-CB 4.35Å; F5-W100 AromaticContact CZ-CD1 3.91Å; F5-W100 AromaticContact CZ-CD2 3.63Å; F5-W100 HydrophobicContact CZ-CD2 3.63Å; F5-W100 AromaticContact CZ-CE2 3.84Å; F5-W100 HydrophobicContact CZ-CE3 4.09Å; F5-W100 AromaticContact CZ-CG 3.72Å; F5-W100 HydrophobicContact CZ-CG 3.72Å; F5-W100 HydrophobicContact CZ-CZ2 4.49Å; F5-W100 AromaticContact CZ-NE1 3.95Å
6K94.6Very high94.1Very high117 Ų11769.3 Ų69.351%0.50935%0.346SS..EExtended strand (participates in β ladder)trans-86128163.8-67.7179.1-177.9-176.90109.3K10 H90K6-K10 VanDerWaalsContact CA-O 3.27Å; K6-K10 WeakPolarHBondContact CA-O 3.46Å; K6-H90 HydrophobicContact CB-CB 3.9Å; K6-H90 PolarHBondContact N-O 2.89Å; K6-H90 WeakPolarHBondContact O-CB 3.32Å; K6-H90 PolarHBondContact O-N 2.98Å
7V92.9Very high94.3Very high24 Ų2468.2 Ų68.215%0.14534%0.344CS..EExtended strand (participates in β ladder)trans-116.7119.3171.4-173.70000106.4K9 K10 H12 W23 L87 L89V7-K9 PolarHBondContact O-N 3.16Å; V7-K10 PolarHBondContact N-O 3.13Å; V7-K10 PolarHBondContact O-N 3.45Å; V7-H12 HydrophobicContact CG2-CB 4.41Å; V7-H12 PolarHBondContact O-CE1 3.13Å; V7-W23 HydrophobicContact CG2-CG 4.3Å; V7-L87 HydrophobicContact CG1-CD1 3.91Å; V7-L89 HydrophobicContact CG2-CD2 3.74Å
8G88.1Confident94.3Very high61 Ų6176.3 Ų76.363%0.62937%0.37SS*.THydrogen-bonded Turntrans58.5-118.5-163.800000111.3
9K86.8Confident94.3Very high211 Ų21176.6 Ų76.692%0.91738%0.377SS*.THydrogen-bonded Turntrans-102.1-8.4-177.3-63.3-177.1-178.61780114.7V7V7-K9 PolarHBondContact O-N 3.16Å
10K90.6Very high94.5Very high146 Ų14678.1 Ų78.164%0.63538%0.378SS*.EExtended strand (participates in β ladder)trans-112.4151-172.5-63-177.1-179.1-179.30111.8K6 V7 H12K6-K10 VanDerWaalsContact CA-O 3.27Å; K6-K10 WeakPolarHBondContact CA-O 3.46Å; V7-K10 PolarHBondContact N-O 3.13Å; V7-K10 PolarHBondContact O-N 3.45Å; K10-H12 PolarHBondContact O-CE1 3.23Å; K10-H12 VanDerWaalsContact O-CE1 3.31Å; K10-H12 PolarHBondContact O-ND1 3.04Å
11S93.7Very high94.6Very high50 Ų5074.3 Ų74.335%0.3536%0.36SS..EExtended strand (participates in β ladder)trans-79.6135.5172.3-60.80000110.2I26S11-I26 PolarHBondContact O-N 3.07Å
12H95.2Very high94.7Very high17 Ų1772.1 Ų72.18%0.07935%0.351CS..EExtended strand (participates in β ladder)trans-128.6145.7179.5-60.174.5000109.4I4 F5 V7 K10 V14 W23 T24 A25I4-H12 WeakPolarHBondContact CA-O 3.22Å; F5-H12 PolarHBondContact N-O 3.03Å; F5-H12 VanDerWaalsContact N-O 3.11Å; F5-H12 PolarHBondContact O-N 2.77Å; V7-H12 HydrophobicContact CG2-CB 4.41Å; V7-H12 PolarHBondContact O-CE1 3.13Å; K10-H12 PolarHBondContact O-CE1 3.23Å; K10-H12 VanDerWaalsContact O-CE1 3.31Å; K10-H12 PolarHBondContact O-ND1 3.04Å; H12-V14 HydrophobicContact CB-CG2 4.4Å; H12-W23 HydrophobicContact CB-CB 4.01Å; H12-W23 AromaticContact CD2-CD1 3.53Å; H12-W23 AromaticContact CG-CD1 3.99Å; H12-T24 CarbonylContact C-O 3.59Å; H12-T24 VanDerWaalsContact CA-O 3.22Å; H12-T24 WeakPolarHBondContact CA-O 3.39Å; H12-T24 WeakPolarHBondContact CB-O 3.43Å; H12-A25 WeakPolarHBondContact CD2-CA 3.39Å; H12-A25 PolarHBondContact CD2-N 2.81Å; H12-A25 VanDerWaalsContact CD2-N 3.34Å
13D95.3Very high94.7Very high37 Ų3765.6 Ų65.620%0.19833%0.326CS..EExtended strand (participates in β ladder)trans-81.2120.4163.6176.448.7000107.8R2 W23 T24 I26R2-D13 WeakPolarHBondContact CG-OD1 2.99Å; R2-D13 IonicContact CZ-OD1 3.76Å; R2-D13 IonicContact CZ-OD2 3.1Å; R2-D13 IonicContact NE-OD1 2.88Å; R2-D13 PolarHBondContact NE-OD1 3.42Å; R2-D13 IonicContact NE-OD2 2.84Å; R2-D13 PolarHBondContact NE-OD2 2.55Å; R2-D13 IonicContact NH2-OD1 3.81Å; R2-D13 IonicContact NH2-OD2 2.63Å; R2-D13 PolarHBondContact NH2-OD2 2.66Å; D13-W23 VanDerWaalsContact O-CA 3.31Å; D13-W23 WeakPolarHBondContact O-CA 3.28Å; D13-T24 PolarHBondContact N-O 3.37Å; D13-T24 PolarHBondContact O-N 3.29Å; D13-I26 HydrophobicContact CB-CD1 4.41Å; D13-I26 HydrophobicContact CB-CG1 4.17Å
14V97Very high94.7Very high0 Ų067.6 Ų67.60%034%0.337CS..EExtended strand (participates in β ladder)trans-112.1128.4-173.5-174.50000109.3R2 G3 F5 H12 L21 T22 W23 W100R2-V14 WeakPolarHBondContact CA-O 3.43Å; G3-V14 PolarHBondContact N-O 3.36Å; G3-V14 WeakPolarHBondContact O-CA 3Å; G3-V14 WeakPolarHBondContact O-CB 3.44Å; G3-V14 PolarHBondContact O-N 2.82Å; F5-V14 HydrophobicContact CB-CG2 3.87Å; F5-V14 HydrophobicContact CD2-CB 3.89Å; F5-V14 HydrophobicContact CD2-CG1 4.44Å; F5-V14 HydrophobicContact CD2-CG2 3.72Å; F5-V14 HydrophobicContact CG-CG2 4.23Å; H12-V14 HydrophobicContact CB-CG2 4.4Å; V14-L21 HydrophobicContact CG1-CD1 4.18Å; V14-L21 HydrophobicContact CG1-CD2 3.72Å; V14-L21 HydrophobicContact CG1-CG 3.86Å; V14-T22 CarbonylContact C-O 3.59Å; V14-T22 WeakPolarHBondContact CA-O 3.4Å; V14-T22 WeakPolarHBondContact CG1-O 3.27Å; V14-W23 HydrophobicContact CG2-CB 3.9Å; V14-W100 HydrophobicContact CB-CH2 4.24Å; V14-W100 HydrophobicContact CG1-CH2 3.93Å; V14-W100 HydrophobicContact CG1-CZ3 3.97Å
15L97Very high94.5Very high72 Ų7264 Ų6438%0.37732%0.321SS..EExtended strand (participates in β ladder)trans-115.4118.4176.9179.567000109.7R2 T17 L21 T22R2-L15 HydrophobicContact CB-CD1 4.28Å; L15-T17 HydrophobicContact CD2-CG2 4.26Å; L15-T17 HydrophobicContact CG-CG2 4.15Å; L15-L21 WeakPolarHBondContact O-CA 3.5Å; L15-T22 PolarHBondContact N-O 2.98Å; L15-T22 PolarHBondContact O-N 3.34Å
16L97.6Very high94.1Very high5 Ų567.8 Ų67.83%0.02634%0.341CS..EExtended strand (participates in β ladder)trans-100.1122.4170.3174.663000110M1 L21 L45 W100 T103 L104 L107M1-L16 HydrophobicContact CB-CB 4.32Å; M1-L16 PolarHBondContact N-O 3.17Å; M1-L16 PolarHBondContact O-N 3.16Å; L16-L21 HydrophobicContact CD1-CB 4.22Å; L16-L21 HydrophobicContact CD1-CD1 4.32Å; L16-L45 HydrophobicContact CD1-CD1 3.91Å; L16-L45 HydrophobicContact CD1-CD2 4.13Å; L16-L45 HydrophobicContact CD1-CG 4.47Å; L16-W100 HydrophobicContact CB-CE3 4.29Å; L16-W100 HydrophobicContact CB-CH2 3.79Å; L16-W100 HydrophobicContact CB-CZ3 3.49Å; L16-W100 VanDerWaalsContact CB-CZ3 3.49Å; L16-W100 HydrophobicContact CD2-CE3 4.08Å; L16-W100 HydrophobicContact CD2-CZ3 4.12Å; L16-W100 HydrophobicContact CG-CZ3 4.42Å; L16-T103 HydrophobicContact CD2-CG2 3.96Å; L16-L104 HydrophobicContact CD1-CD2 3.61Å; L16-L104 HydrophobicContact CD2-CD2 3.77Å; L16-L104 HydrophobicContact CD2-CG 3.83Å; L16-L104 HydrophobicContact CG-CD2 4.36Å; L16-L107 HydrophobicContact CD1-CD1 4.02Å; L16-L107 HydrophobicContact CD2-CD1 4.13Å; L16-L107 HydrophobicContact CG-CD1 4.12Å
17T96.4Very high93.4Very high50 Ų5066 Ų6631%0.30734%0.336SS..  trans-111.7-177.4172.670.10000110.2L15 T19 R20 L45L15-T17 HydrophobicContact CD2-CG2 4.26Å; L15-T17 HydrophobicContact CG-CG2 4.15Å; T17-T19 VanDerWaalsContact C-N 3.28Å; T17-T19 PolarHBondContact O-N 2.71Å; T17-T19 PolarHBondContact OG1-N 2.99Å; T17-R20 PolarHBondContact N-O 2.99Å; T17-R20 WeakPolarHBondContact OG1-CG 3.36Å; T17-R20 PolarHBondContact OG1-N 2.74Å; T17-R20 PolarHBondContact OG1-O 3.49Å; T17-L45 WeakPolarHBondContact O-CD1 3.29Å
18R94.6Very high92.3Very high215 Ų21570.1 Ų70.181%0.81136%0.364SS*.SBendtrans-67.8-24.5175.8-70.6-173.8-178.7174.50.2114.1L107R18-L107 HydrophobicContact CG-CD2 4.35Å
19T95.6Very high91.1Very high82 Ų8276.6 Ų76.650%0.50338%0.377SS..SBendtrans-116-19.8-171.654.50000113.4T17 L45T17-T19 VanDerWaalsContact C-N 3.28Å; T17-T19 PolarHBondContact O-N 2.71Å; T17-T19 PolarHBondContact OG1-N 2.99Å; T19-L45 PolarHBondContact O-N 3.46Å
20R96.8Very high89.8Confident105 Ų10569.4 Ų69.440%0.39635%0.354SS..EExtended strand (participates in β ladder)trans-154.8158.5-17364.5-176.383.7-165.67.4113.2T17 T22 E42 V43 L44T17-R20 PolarHBondContact N-O 2.99Å; T17-R20 WeakPolarHBondContact OG1-CG 3.36Å; T17-R20 PolarHBondContact OG1-N 2.74Å; T17-R20 PolarHBondContact OG1-O 3.49Å; R20-T22 HydrophobicContact CG-CG2 4.4Å; R20-E42 WeakPolarHBondContact CD-OE1 3.3Å; R20-E42 IonicContact CZ-OE1 3.56Å; R20-E42 IonicContact NE-OE1 3.77Å; R20-E42 IonicContact NH1-OE1 2.71Å; R20-E42 PolarHBondContact NH1-OE1 3.45Å; R20-V43 CarbonylContact C-O 3.52Å; R20-V43 WeakPolarHBondContact CA-O 3.25Å; R20-L44 HydrophobicContact CB-CD2 3.92Å
21L97.6Very high88.2Confident0 Ų069.1 Ų69.10%037%0.367CS..EExtended strand (participates in β ladder)trans-118.2123.7168.2-176.9152.7000108.5V14 L15 L16 W23 E42 V43 L72 L87 L89 W100 L104V14-L21 HydrophobicContact CG1-CD1 4.18Å; V14-L21 HydrophobicContact CG1-CD2 3.72Å; V14-L21 HydrophobicContact CG1-CG 3.86Å; L15-L21 WeakPolarHBondContact O-CA 3.5Å; L16-L21 HydrophobicContact CD1-CB 4.22Å; L16-L21 HydrophobicContact CD1-CD1 4.32Å; L21-W23 HydrophobicContact CD2-CE3 3.66Å; L21-W23 HydrophobicContact CD2-CZ3 4.02Å; L21-E42 WeakPolarHBondContact O-CA 3.39Å; L21-V43 HydrophobicContact CB-CG1 3.86Å; L21-V43 HydrophobicContact CD2-CG1 4.23Å; L21-V43 PolarHBondContact N-O 3.5Å; L21-V43 PolarHBondContact O-N 2.71Å; L21-L72 HydrophobicContact CD1-CD2 3.97Å; L21-L87 HydrophobicContact CD2-CD2 3.89Å; L21-L89 HydrophobicContact CD1-CD1 3.75Å; L21-L89 HydrophobicContact CD2-CD1 4.37Å; L21-W100 HydrophobicContact CD1-CZ3 4.15Å; L21-L104 HydrophobicContact CD1-CD2 4.49Å
22T97Very high86.6Confident36 Ų3672.2 Ų72.222%0.22138%0.383CS..EExtended strand (participates in β ladder)trans-118.3152.1177.959.30000110.5V14 L15 R20 G41 E42V14-T22 CarbonylContact C-O 3.59Å; V14-T22 WeakPolarHBondContact CA-O 3.4Å; V14-T22 WeakPolarHBondContact CG1-O 3.27Å; L15-T22 PolarHBondContact N-O 2.98Å; L15-T22 PolarHBondContact O-N 3.34Å; R20-T22 HydrophobicContact CG-CG2 4.4Å; T22-G41 CarbonylContact C-O 3.55Å; T22-G41 VanDerWaalsContact CA-O 3.31Å; T22-G41 WeakPolarHBondContact CA-O 3.16Å; T22-E42 HydrophobicContact CG2-CB 4.16Å; T22-E42 HydrophobicContact CG2-CG 3.98Å
23W95.8Very high84.6Confident42 Ų4274.7 Ų74.716%0.15941%0.414CS..EExtended strand (participates in β ladder)trans-141.5135.417663.392.4000111.7V7 H12 D13 V14 L21 A40 G41 V43 L87V7-W23 HydrophobicContact CG2-CG 4.3Å; H12-W23 HydrophobicContact CB-CB 4.01Å; H12-W23 AromaticContact CD2-CD1 3.53Å; H12-W23 AromaticContact CG-CD1 3.99Å; D13-W23 VanDerWaalsContact O-CA 3.31Å; D13-W23 WeakPolarHBondContact O-CA 3.28Å; V14-W23 HydrophobicContact CG2-CB 3.9Å; L21-W23 HydrophobicContact CD2-CE3 3.66Å; L21-W23 HydrophobicContact CD2-CZ3 4.02Å; W23-A40 CarbonylContact O-C 3.6Å; W23-A40 VanDerWaalsContact O-CA 3.31Å; W23-A40 WeakPolarHBondContact O-CA 3.29Å; W23-G41 VanDerWaalsContact CE2-CA 3.45Å; W23-G41 PolarHBondContact N-O 3.46Å; W23-G41 PolarHBondContact O-N 3.21Å; W23-V43 HydrophobicContact CZ3-CB 4.36Å; W23-V43 HydrophobicContact CZ3-CG1 4.19Å; W23-L87 HydrophobicContact CE3-CD2 4.11Å; W23-L87 HydrophobicContact CH2-CD1 3.99Å; W23-L87 HydrophobicContact CH2-CD2 3.9Å; W23-L87 HydrophobicContact CZ2-CD1 4.03Å; W23-L87 HydrophobicContact CZ3-CD1 4.37Å; W23-L87 HydrophobicContact CZ3-CD2 3.58Å
24T94Very high82.5Confident52 Ų5281.2 Ų81.232%0.31944%0.443SS..EExtended strand (participates in β ladder)trans-124.5131.8-179.2-53.90000109.2H12 D13 I26 P38H12-T24 CarbonylContact C-O 3.59Å; H12-T24 VanDerWaalsContact CA-O 3.22Å; H12-T24 WeakPolarHBondContact CA-O 3.39Å; H12-T24 WeakPolarHBondContact CB-O 3.43Å; D13-T24 PolarHBondContact N-O 3.37Å; D13-T24 PolarHBondContact O-N 3.29Å; T24-I26 PolarHBondContact O-N 3.5Å; T24-P38 HydrophobicContact CG2-CB 3.62Å; T24-P38 HydrophobicContact CG2-CG 3.77Å
25A91.2Very high80.6Confident19 Ų1984.5 Ų84.516%0.15748%0.477CS..EExtended strand (participates in β ladder)trans-60.5131.6-178.500000110.9H12 I27H12-A25 WeakPolarHBondContact CD2-CA 3.39Å; H12-A25 PolarHBondContact CD2-N 2.81Å; H12-A25 VanDerWaalsContact CD2-N 3.34Å; A25-I27 PolarHBondContact O-N 3.21Å
26I88Confident78.7Confident83 Ų8385 Ų8543%0.42649%0.486SS..  trans-79.3109.7173.2-59.9172.2000107I4 S11 D13 T24I4-I26 HydrophobicContact CD1-CD1 4.26Å; I4-I26 HydrophobicContact CG1-CD1 4.21Å; I4-I26 HydrophobicContact CG2-CD1 3.9Å; S11-I26 PolarHBondContact O-N 3.07Å; D13-I26 HydrophobicContact CB-CD1 4.41Å; D13-I26 HydrophobicContact CB-CG1 4.17Å; T24-I26 PolarHBondContact O-N 3.5Å
27I80.3Confident77Confident79 Ų7991.3 Ų91.341%0.40553%0.525SS..PPolyproline II helixtrans-93.3125.1177.6-57.5173.4000107.6A25 S36 P38A25-I27 PolarHBondContact O-N 3.21Å; I27-S36 VanDerWaalsContact CD1-O 3.23Å; I27-S36 WeakPolarHBondContact CD1-O 3.4Å; I27-P38 HydrophobicContact CD1-CB 3.88Å; I27-P38 HydrophobicContact CD1-CG 4.41Å
28P69.4Low75.4Confident111 Ų11191.5 Ų91.572%0.72153%0.527SS*.PPolyproline II helixtrans-62.4135.7169.7-14.327.6000109.5S30P28-S30 PolarHBondContact O-N 2.98Å; P28-S30 VanDerWaalsContact O-N 3.11Å
29E62.7Low74Confident197 Ų19789.3 Ų89.392%0.92153%0.526SS*.PPolyproline II helixtrans-57.4118.1173.9-69.6-179.517100109.7
30S59.3Low73.4Confident60 Ų6088.8 Ų88.842%0.4253%0.53SS..PPolyproline II helixtrans-89.5137.4169.169.90000108.8P28 T32 G33P28-S30 PolarHBondContact O-N 2.98Å; P28-S30 VanDerWaalsContact O-N 3.11Å; S30-T32 PolarHBondContact O-N 2.87Å; S30-G33 PolarHBondContact O-N 2.84Å
31P57.7Low73.2Confident140 Ų14084.5 Ų84.591%0.90952%0.519SS*.THydrogen-bonded Turntrans-66.4-6.7179.123.5-31.4000114
32T59.9Low73.1Confident114 Ų11489.3 Ų89.370%0.69954%0.541SS*.THydrogen-bonded Turntrans-102.93.7-175.746.60000115S30 E34S30-T32 PolarHBondContact O-N 2.87Å; T32-E34 PolarHBondContact O-N 2.73Å
33G53.4Low73Confident69 Ų6988 Ų8871%0.71153%0.533SS*.  trans68.6-0.6165.600000117.4S30 G35S30-G33 PolarHBondContact O-N 2.84Å; G33-G35 PolarHBondContact O-N 2.57Å
34E51.5Low73.1Confident174 Ų17488.3 Ų88.381%0.81354%0.537SS*.  trans-78.985.7173.3-70.9-171.1166.900110.3T32 S36T32-E34 PolarHBondContact O-N 2.73Å; E34-S36 PolarHBondContact O-N 2.75Å
35G56.3Low73.3Confident69 Ų6985.9 Ų85.971%0.71152%0.522SS*.  trans-75.4111.417800000112.3G33G33-G35 PolarHBondContact O-N 2.57Å
36S58.1Low73.5Confident82 Ų8290.1 Ų90.157%0.57354%0.539SS*.PPolyproline II helixtrans-65.9131.1162.563.30000109.5I27 E34 P38I27-S36 VanDerWaalsContact CD1-O 3.23Å; I27-S36 WeakPolarHBondContact CD1-O 3.4Å; E34-S36 PolarHBondContact O-N 2.75Å; S36-P38 WeakPolarHBondContact O-CD 3.36Å; S36-P38 VanDerWaalsContact O-N 3.16Å
37V60.8Low73.9Confident138 Ų13888.2 Ų88.284%0.83653%0.53SS*.PPolyproline II helixtrans-56.8119.3173-178.40000108.6Q39V37-Q39 PolarHBondContact O-N 2.63Å
38P64.3Low74.8Confident54 Ų5484.5 Ų84.535%0.35151%0.51SS..PPolyproline II helixtrans-65.2129.3-178.622.9-30000109.8T24 I27 S36 A40T24-P38 HydrophobicContact CG2-CB 3.62Å; T24-P38 HydrophobicContact CG2-CG 3.77Å; I27-P38 HydrophobicContact CD1-CB 3.88Å; I27-P38 HydrophobicContact CD1-CG 4.41Å; S36-P38 WeakPolarHBondContact O-CD 3.36Å; S36-P38 VanDerWaalsContact O-N 3.16Å; P38-A40 PolarHBondContact O-N 2.73Å
39Q64.4Low76.1Confident170 Ų17079.7 Ų79.779%0.79448%0.478SS*.  trans-66.8108.4172.6-169.9176.61100108.3V37V37-Q39 PolarHBondContact O-N 2.63Å
40A83Confident77.8Confident70 Ų7070.3 Ų70.358%0.57944%0.435SS*.EExtended strand (participates in β ladder)trans-89.6137.2173.600000109.5W23 P38W23-A40 CarbonylContact O-C 3.6Å; W23-A40 VanDerWaalsContact O-CA 3.31Å; W23-A40 WeakPolarHBondContact O-CA 3.29Å; P38-A40 PolarHBondContact O-N 2.73Å
41G92.1Very high79.6Confident16 Ų1667.5 Ų67.517%0.16542%0.415CS..EExtended strand (participates in β ladder)trans-115.4158.7168.400000111.3T22 W23T22-G41 CarbonylContact C-O 3.55Å; T22-G41 VanDerWaalsContact CA-O 3.31Å; T22-G41 WeakPolarHBondContact CA-O 3.16Å; W23-G41 VanDerWaalsContact CE2-CA 3.45Å; W23-G41 PolarHBondContact N-O 3.46Å; W23-G41 PolarHBondContact O-N 3.21Å
42E95.1Very high81.4Confident101 Ų10163.6 Ų63.647%0.47238%0.384SS..EExtended strand (participates in β ladder)trans-144.2144.2-176.9178.4175.4-120.600110.1R20 L21 T22R20-E42 WeakPolarHBondContact CD-OE1 3.3Å; R20-E42 IonicContact CZ-OE1 3.56Å; R20-E42 IonicContact NE-OE1 3.77Å; R20-E42 IonicContact NH1-OE1 2.71Å; R20-E42 PolarHBondContact NH1-OE1 3.45Å; L21-E42 WeakPolarHBondContact O-CA 3.39Å; T22-E42 HydrophobicContact CG2-CB 4.16Å; T22-E42 HydrophobicContact CG2-CG 3.98Å
43V96.6Very high83.1Confident7 Ų760.1 Ų60.14%0.04236%0.362CS..EExtended strand (participates in β ladder)trans-136.5132164.166.10000109.1R20 L21 W23 V48 H74 L87R20-V43 CarbonylContact C-O 3.52Å; R20-V43 WeakPolarHBondContact CA-O 3.25Å; L21-V43 HydrophobicContact CB-CG1 3.86Å; L21-V43 HydrophobicContact CD2-CG1 4.23Å; L21-V43 PolarHBondContact N-O 3.5Å; L21-V43 PolarHBondContact O-N 2.71Å; W23-V43 HydrophobicContact CZ3-CB 4.36Å; W23-V43 HydrophobicContact CZ3-CG1 4.19Å; V43-V48 HydrophobicContact CG1-CG2 4.41Å; V43-V48 HydrophobicContact CG2-CG2 3.81Å; V43-H74 HydrophobicContact CG2-CB 3.97Å; V43-L87 HydrophobicContact CG1-CD2 3.95Å
44L97.3Very high84.9Confident50 Ų5060 Ų6026%0.26234%0.342SS..EExtended strand (participates in β ladder)trans-79.6136.7174.4-56178.6000109.4R20 Q46 D47 V48R20-L44 HydrophobicContact CB-CD2 3.92Å; L44-Q46 HydrophobicContact CB-CG 3.92Å; L44-Q46 HydrophobicContact CD1-CG 4.42Å; L44-Q46 PolarHBondContact O-N 3.49Å; L44-D47 PolarHBondContact O-N 2.97Å; L44-V48 PolarHBondContact O-N 3.24Å
45L97.1Very high86.8Confident0 Ų057 Ų570%032%0.324CS..THydrogen-bonded Turntrans-67.4-24.4179.3-66.9-175000112.5L16 T17 T19 D47 V48 L104 L107 F111 R114L16-L45 HydrophobicContact CD1-CD1 3.91Å; L16-L45 HydrophobicContact CD1-CD2 4.13Å; L16-L45 HydrophobicContact CD1-CG 4.47Å; T17-L45 WeakPolarHBondContact O-CD1 3.29Å; T19-L45 PolarHBondContact O-N 3.46Å; L45-D47 PolarHBondContact O-N 3.06Å; L45-V48 HydrophobicContact CD2-CG2 4.3Å; L45-V48 PolarHBondContact O-N 3.02Å; L45-L104 HydrophobicContact CD2-CD2 3.95Å; L45-L107 HydrophobicContact CD1-CB 4.13Å; L45-L107 HydrophobicContact CD1-CD1 3.71Å; L45-L107 HydrophobicContact CD1-CG 4.47Å; L45-F111 HydrophobicContact CB-CE2 4.38Å; L45-F111 HydrophobicContact CB-CZ 4.19Å; L45-R114 PolarHBondContact O-NH2 3.43Å
46Q96.1Very high88.4Confident109 Ų10961.8 Ų61.851%0.50932%0.32SS..THydrogen-bonded Turntrans-62.3-26.3172.976-174.633.200112.3L44 F111 R114 L246L44-Q46 HydrophobicContact CB-CG 3.92Å; L44-Q46 HydrophobicContact CD1-CG 4.42Å; L44-Q46 PolarHBondContact O-N 3.49Å; Q46-F111 HydrophobicContact CB-CE1 4.01Å; Q46-F111 HydrophobicContact CB-CZ 4.29Å; Q46-R114 VanDerWaalsContact C-NH2 3.27Å; Q46-R114 PolarHBondContact O-NH2 3.23Å; Q46-L246 WeakPolarHBondContact O-CD2 3.42Å
47D97Very high89.7Confident43 Ų4364.4 Ų64.423%0.2332%0.317CS..THydrogen-bonded Turntrans-92.2-15.4178.5-56.8-35.4000112.2L44 L45 F49 H74 S75 L246L44-D47 PolarHBondContact O-N 2.97Å; L45-D47 PolarHBondContact O-N 3.06Å; D47-F49 PolarHBondContact O-N 2.96Å; D47-H74 CarbonylContact O-C 3.59Å; D47-H74 WeakPolarHBondContact O-CA 3.37Å; D47-H74 WeakPolarHBondContact O-CB 3.41Å; D47-S75 PolarHBondContact O-N 3.47Å; D47-L246 WeakPolarHBondContact O-CD2 3.48Å
48V98.1Very high90.7Very high0 Ų065 Ų650%031%0.313CS..EExtended strand (participates in β ladder)trans-81113.5177.3-179.80000109.1V43 L44 L45 L72 F73 H74 L108 R114V43-V48 HydrophobicContact CG1-CG2 4.41Å; V43-V48 HydrophobicContact CG2-CG2 3.81Å; L44-V48 PolarHBondContact O-N 3.24Å; L45-V48 HydrophobicContact CD2-CG2 4.3Å; L45-V48 PolarHBondContact O-N 3.02Å; V48-L72 HydrophobicContact CG1-CB 4.23Å; V48-L72 HydrophobicContact CG1-CD2 4.45Å; V48-L72 HydrophobicContact CG1-CG 4.5Å; V48-L72 HydrophobicContact CG2-CD2 4.42Å; V48-F73 CarbonylContact C-O 3.54Å; V48-F73 WeakPolarHBondContact CA-O 3.21Å; V48-H74 HydrophobicContact CB-CB 4.39Å; V48-H74 HydrophobicContact CG2-CB 3.93Å; V48-L108 HydrophobicContact CB-CD2 4.04Å; V48-L108 HydrophobicContact CG1-CD1 3.88Å; V48-L108 HydrophobicContact CG1-CD2 4.06Å; V48-L108 VanDerWaalsContact O-CD2 3.31Å; V48-L108 WeakPolarHBondContact O-CD2 3.39Å; V48-R114 PolarHBondContact O-NH1 3.37Å; V48-R114 PolarHBondContact O-NH2 3.34Å; V48-R114 VanDerWaalsContact O-NH2 3.12Å
49F97.1Very high91.5Very high10 Ų1067.8 Ų67.84%0.04434%0.34CS..EExtended strand (participates in β ladder)trans-98.6-17.6179.661.1-95.4000113.3D47 F73 E84 L142 M145 A146 L242 V245 L246D47-F49 PolarHBondContact O-N 2.96Å; F49-F73 HydrophobicContact CD2-CB 4.31Å; F49-F73 HydrophobicContact CE1-CB 4.15Å; F49-F73 HydrophobicContact CE2-CB 3.7Å; F49-F73 HydrophobicContact CZ-CB 3.62Å; F49-F73 PolarHBondContact N-O 3.28Å; F49-E84 HydrophobicContact CE1-CG 4.39Å; F49-E84 HydrophobicContact CZ-CB 4.49Å; F49-E84 HydrophobicContact CZ-CG 3.9Å; F49-E84 WeakPolarHBondContact CZ-OE2 3.46Å; F49-L142 HydrophobicContact CE2-CD2 4.43Å; F49-L142 HydrophobicContact CZ-CD2 4.27Å; F49-M145 HydrophobicContact CE2-CB 4.35Å; F49-M145 HydrophobicContact CE2-CG 3.98Å; F49-A146 HydrophobicContact CD2-CB 4.17Å; F49-L242 HydrophobicContact CD1-CD2 3.89Å; F49-L242 HydrophobicContact CE1-CD2 3.64Å; F49-L242 HydrophobicContact CZ-CD2 4.16Å; F49-V245 HydrophobicContact CB-CG2 3.92Å; F49-V245 HydrophobicContact CD2-CG2 4.43Å; F49-V245 HydrophobicContact CG-CG2 4.15Å; F49-L246 HydrophobicContact CB-CD2 3.84Å; F49-L246 HydrophobicContact CD1-CD2 4.46Å
50A97.6Very high92.2Very high1 Ų163.7 Ų63.71%0.00834%0.343CS..EExtended strand (participates in β ladder)trans-149.4152.9174.500000113.4F73 M145A50-F73 HydrophobicContact CB-CB 4.13Å; A50-F73 HydrophobicContact CB-CD2 3.98Å; A50-F73 HydrophobicContact CB-CG 4.4Å; A50-F73 PolarHBondContact N-O 2.88Å; A50-F73 PolarHBondContact O-N 3.44Å; A50-M145 HydrophobicContact CB-CG 3.88Å; A50-M145 VanDerWaalsContact CB-O 3.24Å; A50-M145 WeakPolarHBondContact CB-O 3.18Å
51V97.6Very high92.1Very high1 Ų163.9 Ų63.91%0.00633%0.332CS..EExtended strand (participates in β ladder)trans-130.9135.4168.1630000108.9A71 L72 Y101 L104 K105 L108V51-A71 CarbonylContact C-O 3.48Å; V51-A71 WeakPolarHBondContact CA-O 3.31Å; V51-L72 HydrophobicContact CG2-CD1 4.22Å; V51-L72 HydrophobicContact CG2-CG 4.19Å; V51-Y101 HydrophobicContact CG1-CD2 4.08Å; V51-Y101 HydrophobicContact CG1-CE2 3.95Å; V51-Y101 HydrophobicContact CG2-CD2 4.09Å; V51-Y101 WeakPolarHBondContact O-CE2 3.4Å; V51-L104 HydrophobicContact CG1-CB 4.17Å; V51-L104 HydrophobicContact CG2-CB 4.31Å; V51-L104 HydrophobicContact CG2-CD1 4.04Å; V51-K105 HydrophobicContact CG1-CB 4.35Å; V51-K105 HydrophobicContact CG1-CD 4.34Å; V51-L108 HydrophobicContact CB-CD1 4.29Å; V51-L108 HydrophobicContact CG1-CD1 4.02Å
52K95.6Very high91.1Very high58 Ų5871.6 Ų71.625%0.25236%0.364SS..EExtended strand (participates in β ladder)trans-136.1146.5176.9-55.4-69.2179.2-170.90110.7K54 A71 F73 M145 D147K52-K54 PolarHBondContact O-N 3.34Å; K52-A71 PolarHBondContact N-O 2.94Å; K52-A71 PolarHBondContact O-N 3.05Å; K52-F73 HydrophobicContact CB-CE2 4.08Å; K52-F73 HydrophobicContact CG-CD2 4.41Å; K52-F73 HydrophobicContact CG-CE2 3.73Å; K52-M145 VanDerWaalsContact CE-O 3.25Å; K52-M145 WeakPolarHBondContact CE-O 3.44Å; K52-M145 HydrophobicContact CG-SD 4.3Å; K52-M145 PolarHBondContact NZ-O 2.9Å; K52-D147 VanDerWaalsContact NZ-CG 3.25Å; K52-D147 IonicContact NZ-OD1 3.6Å; K52-D147 PolarHBondContact NZ-OD1 2.88Å; K52-D147 IonicContact NZ-OD2 3.48Å; K52-D147 PolarHBondContact NZ-OD2 2.99Å; K52-D147 VanDerWaalsContact NZ-OD2 3.11Å
53V95.1Very high90.1Very high41 Ų4171.1 Ų71.125%0.24837%0.372CS..EExtended strand (participates in β ladder)trans-78.2119.7173.4-179.20000109.5R55 V67 L70 T97 Y101V53-R55 HydrophobicContact CG1-CG 4.2Å; V53-V67 HydrophobicContact CG1-CG1 4.15Å; V53-L70 HydrophobicContact CG2-CD2 4.07Å; V53-T97 HydrophobicContact CG1-CG2 3.97Å; V53-Y101 HydrophobicContact CG2-CD1 4.23Å; V53-Y101 HydrophobicContact CG2-CD2 3.66Å; V53-Y101 HydrophobicContact CG2-CE2 4.23Å; V53-Y101 HydrophobicContact CG2-CG 3.67Å
54K92.9Very high89.2Confident66 Ų6672.5 Ų72.529%0.28739%0.388SS..EExtended strand (participates in β ladder)trans-79.4127.6176.6-166171.7-175.9166.60109.3K52 L68 G69 H88K52-K54 PolarHBondContact O-N 3.34Å; K54-L68 HydrophobicContact CB-CB 4.3Å; K54-L68 HydrophobicContact CG-CB 4.14Å; K54-L68 HydrophobicContact CG-CD1 4.3Å; K54-L68 PolarHBondContact O-N 3.03Å; K54-G69 PolarHBondContact N-O 3.22Å; K54-H88 PolarHBondContact NZ-NE2 3.38Å
55R91.6Very high88.6Confident112 Ų11271.3 Ų71.342%0.42339%0.387SS..EExtended strand (participates in β ladder)trans-130.2147.4179.1-65.7-177.4177.3-94.80.5111.1V53 G65 A66V53-R55 HydrophobicContact CG1-CG 4.2Å; R55-G65 PolarHBondContact NH1-O 3.47Å; R55-A66 CarbonylContact C-O 3.5Å; R55-A66 VanDerWaalsContact CA-O 3.27Å; R55-A66 WeakPolarHBondContact CA-O 3.48Å
56R88.8Confident88.2Confident169 Ų16973.7 Ų73.764%0.63841%0.407SS*.EExtended strand (participates in β ladder)trans-92.5123.8167.9-172.6171.358.8-178.7-1.3109.2G65 A66 L68R56-G65 CarbonylContact O-C 3.27Å; R56-G65 WeakPolarHBondContact O-CA 3.45Å; R56-A66 PolarHBondContact N-O 2.75Å; R56-A66 PolarHBondContact O-N 3.33Å; R56-L68 HydrophobicContact CB-CD1 3.89Å; R56-L68 HydrophobicContact CB-CD2 4.04Å; R56-L68 HydrophobicContact CB-CG 4.01Å
57R86.1Confident88Confident137 Ų13769.3 Ų69.352%0.51739%0.387SS..  trans-116.1148.7177.4-63.1-178.5-177172.51.9110.2Q61 Q62 G64R57-Q61 HydrophobicContact CB-CB 4.49Å; R57-Q62 PolarHBondContact NH1-O 3.27Å; R57-G64 PolarHBondContact NE-O 3.07Å
58M82.4Confident87.9Confident151 Ų15169.9 Ų69.974%0.74439%0.39SS*.  trans-78.5157.7168.9-64.1-160.7-68.300110.4G60 Q61M58-G60 PolarHBondContact O-N 2.85Å; M58-Q61 WeakPolarHBondContact O-CB 3.13Å; M58-Q61 PolarHBondContact O-N 3.4Å; M58-Q61 VanDerWaalsContact O-N 3.08Å
59A80.4Confident87.8Confident111 Ų11169.9 Ų69.992%0.91739%0.39SS*.THydrogen-bonded Turntrans-55.5129.9176.600000110.3
60G79.4Confident87.8Confident84 Ų8469.4 Ų69.487%0.86639%0.388SS*.THydrogen-bonded Turntrans86.3-8.3-177.900000115.9M58 Q62M58-G60 PolarHBondContact O-N 2.85Å; G60-Q62 PolarHBondContact O-N 3.13Å
61Q80.4Confident87.8Confident74 Ų7469.7 Ų69.735%0.34639%0.391SS..  trans-84.9114.6-179.7-173.3175.80.700112R57 M58 S63R57-Q61 HydrophobicContact CB-CB 4.49Å; M58-Q61 WeakPolarHBondContact O-CB 3.13Å; M58-Q61 PolarHBondContact O-N 3.4Å; M58-Q61 VanDerWaalsContact O-N 3.08Å; Q61-S63 WeakPolarHBondContact CG-O 3.45Å; Q61-S63 PolarHBondContact NE2-O 3.22Å
62Q70.1Confident87.8Confident179 Ų17969.7 Ų69.784%0.83639%0.39SS*.  trans-83.5-26.8-177.4-63.5-157.7-4.900114.5R57 G60R57-Q62 PolarHBondContact NH1-O 3.27Å; G60-Q62 PolarHBondContact O-N 3.13Å
63S75.3Confident87.9Confident91 Ų9168.2 Ų68.264%0.63638%0.384SS*.SBendtrans-139.8156.1-179.668.30000112.4Q61Q61-S63 WeakPolarHBondContact CG-O 3.45Å; Q61-S63 PolarHBondContact NE2-O 3.22Å
64G77.5Confident88Confident36 Ų3667.5 Ų67.537%0.37138%0.378SS..  trans85.2-155.9-176.400000114.2R57R57-G64 PolarHBondContact NE-O 3.07Å
65G84.6Confident88.2Confident24 Ų2464.7 Ų64.725%0.24737%0.367CS..  trans104.4158-178.200000114.3R55 R56R55-G65 PolarHBondContact NH1-O 3.47Å; R56-G65 CarbonylContact O-C 3.27Å; R56-G65 WeakPolarHBondContact O-CA 3.45Å
66A88.8Confident88.4Confident51 Ų5164.5 Ų64.542%0.42137%0.366SS..EExtended strand (participates in β ladder)trans-64.9134-178.800000110.8R55 R56R55-A66 CarbonylContact C-O 3.5Å; R55-A66 VanDerWaalsContact CA-O 3.27Å; R55-A66 WeakPolarHBondContact CA-O 3.48Å; R56-A66 PolarHBondContact N-O 2.75Å; R56-A66 PolarHBondContact O-N 3.33Å
67V92.7Very high88.5Confident16 Ų1662.3 Ų62.310%0.09736%0.358CS..EExtended strand (participates in β ladder)trans-69.8132.4177.4178.40000109.4V53 A94 T97V53-V67 HydrophobicContact CG1-CG1 4.15Å; V67-A94 HydrophobicContact CB-CB 4.41Å; V67-A94 HydrophobicContact CG2-CB 3.93Å; V67-T97 HydrophobicContact CG1-CG2 3.59Å
68L93.8Very high88.7Confident56 Ų5663.8 Ų63.829%0.29336%0.363SS..EExtended strand (participates in β ladder)trans-109.7-12.6177.4-62.7-176.6000112.9K54 R56 H90 N91K54-L68 HydrophobicContact CB-CB 4.3Å; K54-L68 HydrophobicContact CG-CB 4.14Å; K54-L68 HydrophobicContact CG-CD1 4.3Å; K54-L68 PolarHBondContact O-N 3.03Å; R56-L68 HydrophobicContact CB-CD1 3.89Å; R56-L68 HydrophobicContact CB-CD2 4.04Å; R56-L68 HydrophobicContact CB-CG 4.01Å; L68-H90 VanDerWaalsContact O-CA 3.31Å; L68-H90 WeakPolarHBondContact O-CA 3.23Å; L68-H90 PolarHBondContact O-ND1 2.9Å; L68-N91 CarbonylContact C-O 3.58Å; L68-N91 VanDerWaalsContact C-O 3.27Å; L68-N91 PolarHBondContact O-N 3.44Å
69G95.9Very high89Confident0 Ų059.6 Ų59.60%036%0.359CS..EExtended strand (participates in β ladder)trans130.2-147.9-178.500000112.6K54 L89 N91 T97K54-G69 PolarHBondContact N-O 3.22Å; G69-L89 CarbonylContact C-O 3.58Å; G69-L89 VanDerWaalsContact CA-O 3.22Å; G69-L89 WeakPolarHBondContact CA-O 3.37Å; G69-N91 WeakPolarHBondContact CA-O 3.34Å; G69-N91 PolarHBondContact N-O 3.1Å; G69-T97 WeakPolarHBondContact O-CG2 3.5Å
70L97.3Very high89.2Confident0 Ų056.5 Ų56.50%033%0.325CS..EExtended strand (participates in β ladder)trans-117.3149.8-177.7-57.4174.6000111.8V53 L72 L89 T97 W100 Y101 L104V53-L70 HydrophobicContact CG2-CD2 4.07Å; L70-L72 HydrophobicContact CB-CD1 4Å; L70-L89 HydrophobicContact CB-CB 4.35Å; L70-L89 PolarHBondContact N-O 2.91Å; L70-L89 PolarHBondContact O-N 3.3Å; L70-T97 HydrophobicContact CD2-CG2 3.48Å; L70-T97 VanDerWaalsContact CD2-CG2 3.48Å; L70-T97 HydrophobicContact CG-CG2 3.89Å; L70-W100 HydrophobicContact CD1-CB 3.67Å; L70-Y101 HydrophobicContact CD2-CD2 4.31Å; L70-L104 HydrophobicContact CD1-CD1 3.85Å
71A97.3Very high89.8Confident7 Ų757 Ų576%0.05830%0.301CS..EExtended strand (participates in β ladder)trans-117.5121.7163.700000108.1V51 K52 F73 T86 L87V51-A71 CarbonylContact C-O 3.48Å; V51-A71 WeakPolarHBondContact CA-O 3.31Å; K52-A71 PolarHBondContact N-O 2.94Å; K52-A71 PolarHBondContact O-N 3.05Å; A71-F73 HydrophobicContact CB-CE2 3.93Å; A71-F73 HydrophobicContact CB-CZ 4.1Å; A71-T86 HydrophobicContact CB-CG2 3.98Å; A71-L87 WeakPolarHBondContact CA-O 3.45Å
72L98Very high90.5Very high0 Ų053.7 Ų53.70%029%0.286CS..EExtended strand (participates in β ladder)trans-103.6119172-7373.6000107.1L21 V48 V51 L70 T86 L87 L89 L104L21-L72 HydrophobicContact CD1-CD2 3.97Å; V48-L72 HydrophobicContact CG1-CB 4.23Å; V48-L72 HydrophobicContact CG1-CD2 4.45Å; V48-L72 HydrophobicContact CG1-CG 4.5Å; V48-L72 HydrophobicContact CG2-CD2 4.42Å; V51-L72 HydrophobicContact CG2-CD1 4.22Å; V51-L72 HydrophobicContact CG2-CG 4.19Å; L70-L72 HydrophobicContact CB-CD1 4Å; L72-T86 CarbonylContact O-C 3.43Å; L72-T86 WeakPolarHBondContact O-CA 3.38Å; L72-L87 HydrophobicContact CB-CB 4.34Å; L72-L87 PolarHBondContact N-O 2.85Å; L72-L87 PolarHBondContact O-N 3.39Å; L72-L89 HydrophobicContact CD1-CD1 3.82Å; L72-L89 HydrophobicContact CD1-CG 4.19Å; L72-L104 HydrophobicContact CD1-CD1 4.12Å; L72-L104 HydrophobicContact CD2-CD1 4.15Å; L72-L104 HydrophobicContact CD2-CD2 4.15Å; L72-L104 HydrophobicContact CG-CD1 4.33Å
73F98.1Very high91.7Very high27 Ų2747.8 Ų47.812%0.11826%0.258CS..EExtended strand (participates in β ladder)trans-94.4122.4176.3-57.3-94.8000107.5V48 F49 A50 K52 A71 T86 M145V48-F73 CarbonylContact C-O 3.54Å; V48-F73 WeakPolarHBondContact CA-O 3.21Å; F49-F73 HydrophobicContact CD2-CB 4.31Å; F49-F73 HydrophobicContact CE1-CB 4.15Å; F49-F73 HydrophobicContact CE2-CB 3.7Å; F49-F73 HydrophobicContact CZ-CB 3.62Å; F49-F73 PolarHBondContact N-O 3.28Å; A50-F73 HydrophobicContact CB-CB 4.13Å; A50-F73 HydrophobicContact CB-CD2 3.98Å; A50-F73 HydrophobicContact CB-CG 4.4Å; A50-F73 PolarHBondContact N-O 2.88Å; A50-F73 PolarHBondContact O-N 3.44Å; K52-F73 HydrophobicContact CB-CE2 4.08Å; K52-F73 HydrophobicContact CG-CD2 4.41Å; K52-F73 HydrophobicContact CG-CE2 3.73Å; A71-F73 HydrophobicContact CB-CE2 3.93Å; A71-F73 HydrophobicContact CB-CZ 4.1Å; F73-T86 HydrophobicContact CD1-CG2 4.22Å; F73-T86 WeakPolarHBondContact CD1-OG1 3.35Å; F73-T86 HydrophobicContact CE1-CG2 4.11Å; F73-T86 HydrophobicContact CZ-CG2 4.49Å; F73-M145 HydrophobicContact CD1-CE 4.23Å; F73-M145 HydrophobicContact CD1-CG 4.37Å; F73-M145 HydrophobicContact CD1-SD 4.3Å; F73-M145 HydrophobicContact CD2-CG 4.23Å; F73-M145 HydrophobicContact CD2-SD 3.97Å; F73-M145 HydrophobicContact CE1-CE 3.77Å; F73-M145 HydrophobicContact CE1-SD 4.07Å; F73-M145 HydrophobicContact CE2-CE 4.46Å; F73-M145 HydrophobicContact CE2-SD 3.73Å; F73-M145 HydrophobicContact CG-CG 4.13Å; F73-M145 HydrophobicContact CG-SD 4.26Å; F73-M145 HydrophobicContact CZ-CE 3.91Å; F73-M145 HydrophobicContact CZ-SD 3.77Å
74H97.7Very high92.6Very high27 Ų2747.4 Ų47.413%0.12525%0.246CC..EExtended strand (participates in β ladder)trans-135155.5-176.471.790.8000111.1V43 D47 V48 D85V43-H74 HydrophobicContact CG2-CB 3.97Å; D47-H74 CarbonylContact O-C 3.59Å; D47-H74 WeakPolarHBondContact O-CA 3.37Å; D47-H74 WeakPolarHBondContact O-CB 3.41Å; V48-H74 HydrophobicContact CB-CB 4.39Å; V48-H74 HydrophobicContact CG2-CB 3.93Å; H74-D85 PolarHBondContact N-O 3.01Å; H74-D85 PolarHBondContact O-N 3.5Å
75S96.9Very high93.5Very high6 Ų648.2 Ų48.24%0.04224%0.242CC..EExtended strand (participates in β ladder)trans-79147.9170.7-178.90000110.1D47 E83D47-S75 PolarHBondContact O-N 3.47Å; S75-E83 CarbonylContact C-O 3.48Å; S75-E83 WeakPolarHBondContact CA-O 3.44Å
76R94.4Very high94.1Very high109 Ų10948.9 Ų48.941%0.41124%0.242SC..EExtended strand (participates in β ladder)trans-135.4131.2170175.4-179.254.1-156.5-18108.4E83 D85R76-E83 PolarHBondContact N-O 2.88Å; R76-E83 PolarHBondContact O-N 2.97Å; R76-D85 IonicContact CZ-OD2 2.7Å; R76-D85 IonicContact NE-OD2 3.1Å; R76-D85 IonicContact NH1-OD2 3.86Å; R76-D85 PolarHBondContact NH1-OD2 2.89Å; R76-D85 IonicContact NH2-OD2 3.71Å; R76-D85 PolarHBondContact NH2-OD2 2.61Å; R76-D85 VanDerWaalsContact NH2-OD2 3.1Å
77R91.8Very high94.4Very high122 Ų12247.1 Ų47.146%0.4623%0.225SC..EExtended strand (participates in β ladder)trans-77.9132.2174.9-173.7174.2-60-81-6.6111.3G79 R81 L82 E485R77-G79 WeakPolarHBondContact CG-O 3.44Å; R77-R81 WeakPolarHBondContact CA-O 3.4Å; R77-L82 HydrophobicContact CB-CD2 4.11Å; R77-L82 HydrophobicContact CG-CD2 4.44Å; R77-E485 IonicContact CZ-OE1 2.64Å; R77-E485 IonicContact CZ-OE2 2.75Å; R77-E485 IonicContact NH1-OE1 3.04Å; R77-E485 PolarHBondContact NH1-OE1 2.9Å; R77-E485 IonicContact NH2-OE1 2.64Å; R77-E485 PolarHBondContact NH2-OE1 3.37Å; R77-E485 IonicContact NH2-OE2 3.76Å; R77-E485 PolarHBondContact NH2-OE2 3Å
78R90.6Very high94.6Very high168 Ų16849.7 Ų49.763%0.63424%0.236SC*.EExtended strand (participates in β ladder)trans-134.499.3171-171.3-174.3179.4-161.6-1.8109.3Q80 R81 E83R78-Q80 PolarHBondContact O-N 3.14Å; R78-R81 PolarHBondContact N-O 2.86Å; R78-R81 PolarHBondContact O-N 3.31Å; R78-E83 WeakPolarHBondContact CD-OE1 3.38Å; R78-E83 IonicContact NH1-OE1 3.01Å; R78-E83 PolarHBondContact NH1-OE1 3.06Å; R78-E83 VanDerWaalsContact NH1-OE1 3.16Å
79G88.4Confident94.8Very high63 Ų6347 Ų4765%0.64922%0.222SC*.THydrogen-bonded Turntrans63.3-124.6-167.600000109.9R77R77-G79 WeakPolarHBondContact CG-O 3.44Å
80Q84.4Confident94.8Very high47 Ų4749.7 Ų49.722%0.2223%0.234CC..THydrogen-bonded Turntrans-90.8-7.3177.9-61.7-177.42.100113.5R78 G233 V234 E489 E491R78-Q80 PolarHBondContact O-N 3.14Å; Q80-G233 PolarHBondContact OE1-O 2.84Å; Q80-V234 HydrophobicContact CB-CB 4.3Å; Q80-V234 WeakPolarHBondContact O-CG1 3.18Å; Q80-E489 PolarHBondContact NE2-O 3.38Å; Q80-E489 PolarHBondContact OE1-O 3.12Å; Q80-E491 HydrophobicContact CB-CG 4.32Å; Q80-E491 HydrophobicContact CG-CG 4.39Å
81R92.4Very high94.7Very high93 Ų9351.5 Ų51.535%0.35124%0.244SC..EExtended strand (participates in β ladder)trans-91.2147.7-179-62.6178.7-167.4-152.9-1.7111.5R77 R78 V234 T239 E491R77-R81 WeakPolarHBondContact CA-O 3.4Å; R78-R81 PolarHBondContact N-O 2.86Å; R78-R81 PolarHBondContact O-N 3.31Å; R81-V234 HydrophobicContact CG-CB 4.42Å; R81-V234 HydrophobicContact CG-CG1 4.1Å; R81-V234 HydrophobicContact CG-CG2 3.88Å; R81-T239 WeakPolarHBondContact CA-OG1 3.18Å; R81-E491 IonicContact CZ-OE2 3.95Å; R81-E491 IonicContact NE-OE1 3.16Å; R81-E491 IonicContact NE-OE2 3.58Å; R81-E491 PolarHBondContact NE-OE2 3.11Å; R81-E491 IonicContact NH2-OE2 3.49Å; R81-E491 PolarHBondContact NH2-OE2 2.83Å
82L94.7Very high94.4Very high5 Ų555.3 Ų55.33%0.02628%0.275CS..EExtended strand (participates in β ladder)trans-100.7127.6163.2-60.7-178.7000108.6R77 T239 L242 H243 L246R77-L82 HydrophobicContact CB-CD2 4.11Å; R77-L82 HydrophobicContact CG-CD2 4.44Å; L82-T239 HydrophobicContact CB-CG2 4.1Å; L82-T239 HydrophobicContact CD1-CG2 4.42Å; L82-T239 HydrophobicContact CG-CG2 4.02Å; L82-T239 PolarHBondContact N-OG1 2.82Å; L82-T239 PolarHBondContact O-OG1 3.39Å; L82-L242 HydrophobicContact CB-CB 4.13Å; L82-L242 HydrophobicContact CB-CD1 3.6Å; L82-L242 HydrophobicContact CD1-CB 4.05Å; L82-L242 WeakPolarHBondContact O-CD1 3.44Å; L82-H243 VanDerWaalsContact CD1-CE1 3.45Å; L82-H243 WeakPolarHBondContact CD1-CE1 3.39Å; L82-L246 HydrophobicContact CD1-CD1 4.5Å
83E95.2Very high94.3Very high55 Ų5557.8 Ų57.826%0.25729%0.292SS..EExtended strand (participates in β ladder)trans-114147.8176.8-64.8179.4171.300109.8S75 R76 R78S75-E83 CarbonylContact C-O 3.48Å; S75-E83 WeakPolarHBondContact CA-O 3.44Å; R76-E83 PolarHBondContact N-O 2.88Å; R76-E83 PolarHBondContact O-N 2.97Å; R78-E83 WeakPolarHBondContact CD-OE1 3.38Å; R78-E83 IonicContact NH1-OE1 3.01Å; R78-E83 PolarHBondContact NH1-OE1 3.06Å; R78-E83 VanDerWaalsContact NH1-OE1 3.16Å
84E94.9Very high94Very high83 Ų8359.2 Ų59.239%0.38831%0.309SS..EExtended strand (participates in β ladder)trans-72.9135.4167.8176.6-178.695.400110.1F49 L142F49-E84 HydrophobicContact CE1-CG 4.39Å; F49-E84 HydrophobicContact CZ-CB 4.49Å; F49-E84 HydrophobicContact CZ-CG 3.9Å; F49-E84 WeakPolarHBondContact CZ-OE2 3.46Å; E84-L142 WeakPolarHBondContact OE2-CD2 3.14Å
85D95.6Very high93.8Very high54 Ų5465.7 Ų65.729%0.28934%0.34SS..EExtended strand (participates in β ladder)trans-134162.4164.8-157.2-3.6000110.3H74 R76H74-D85 PolarHBondContact N-O 3.01Å; H74-D85 PolarHBondContact O-N 3.5Å; R76-D85 IonicContact CZ-OD2 2.7Å; R76-D85 IonicContact NE-OD2 3.1Å; R76-D85 IonicContact NH1-OD2 3.86Å; R76-D85 PolarHBondContact NH1-OD2 2.89Å; R76-D85 IonicContact NH2-OD2 3.71Å; R76-D85 PolarHBondContact NH2-OD2 2.61Å; R76-D85 VanDerWaalsContact NH2-OD2 3.1Å
86T96.7Very high93.7Very high38 Ų3868 Ų6823%0.23335%0.349CS..EExtended strand (participates in β ladder)trans-130118.7-177.4-55.50000112.2A71 L72 F73 H88A71-T86 HydrophobicContact CB-CG2 3.98Å; L72-T86 CarbonylContact O-C 3.43Å; L72-T86 WeakPolarHBondContact O-CA 3.38Å; F73-T86 HydrophobicContact CD1-CG2 4.22Å; F73-T86 WeakPolarHBondContact CD1-OG1 3.35Å; F73-T86 HydrophobicContact CE1-CG2 4.11Å; F73-T86 HydrophobicContact CZ-CG2 4.49Å; T86-H88 WeakPolarHBondContact CG2-CE1 2.98Å
87L96.7Very high93.7Very high14 Ų1462.8 Ų62.87%0.07333%0.33CS..EExtended strand (participates in β ladder)trans-87.8120.9168.2177.663.2000110.2V7 L21 W23 V43 A71 L72 L89V7-L87 HydrophobicContact CG1-CD1 3.91Å; L21-L87 HydrophobicContact CD2-CD2 3.89Å; W23-L87 HydrophobicContact CE3-CD2 4.11Å; W23-L87 HydrophobicContact CH2-CD1 3.99Å; W23-L87 HydrophobicContact CH2-CD2 3.9Å; W23-L87 HydrophobicContact CZ2-CD1 4.03Å; W23-L87 HydrophobicContact CZ3-CD1 4.37Å; W23-L87 HydrophobicContact CZ3-CD2 3.58Å; V43-L87 HydrophobicContact CG1-CD2 3.95Å; A71-L87 WeakPolarHBondContact CA-O 3.45Å; L72-L87 HydrophobicContact CB-CB 4.34Å; L72-L87 PolarHBondContact N-O 2.85Å; L72-L87 PolarHBondContact O-N 3.39Å; L87-L89 HydrophobicContact CD1-CD2 4.3Å; L87-L89 HydrophobicContact CD2-CD2 4.05Å; L87-L89 HydrophobicContact CD2-CG 4.44Å; L87-L89 HydrophobicContact CG-CD2 4.02Å; L87-L89 HydrophobicContact CG-CG 4.33Å
88H96.8Very high93.9Very high69 Ų6961.8 Ų61.832%0.31933%0.331SS..EExtended strand (participates in β ladder)trans-99.1116.8174-67.1-46.3000111.6K54 T86K54-H88 PolarHBondContact NZ-NE2 3.38Å; T86-H88 WeakPolarHBondContact CG2-CE1 2.98Å
89L96.9Very high94.2Very high0 Ų056.6 Ų56.60%032%0.32CS..EExtended strand (participates in β ladder)trans-105102.3173.7-58.6-178.4000109.2F5 V7 L21 G69 L70 L72 L87F5-L89 HydrophobicContact CB-CB 4.17Å; F5-L89 HydrophobicContact CB-CD2 4.48Å; F5-L89 HydrophobicContact CD1-CB 3.61Å; F5-L89 HydrophobicContact CE1-CB 4.18Å; F5-L89 HydrophobicContact CG-CB 3.95Å; V7-L89 HydrophobicContact CG2-CD2 3.74Å; L21-L89 HydrophobicContact CD1-CD1 3.75Å; L21-L89 HydrophobicContact CD2-CD1 4.37Å; G69-L89 CarbonylContact C-O 3.58Å; G69-L89 VanDerWaalsContact CA-O 3.22Å; G69-L89 WeakPolarHBondContact CA-O 3.37Å; L70-L89 HydrophobicContact CB-CB 4.35Å; L70-L89 PolarHBondContact N-O 2.91Å; L70-L89 PolarHBondContact O-N 3.3Å; L72-L89 HydrophobicContact CD1-CD1 3.82Å; L72-L89 HydrophobicContact CD1-CG 4.19Å; L87-L89 HydrophobicContact CD1-CD2 4.3Å; L87-L89 HydrophobicContact CD2-CD2 4.05Å; L87-L89 HydrophobicContact CD2-CG 4.44Å; L87-L89 HydrophobicContact CG-CD2 4.02Å; L87-L89 HydrophobicContact CG-CG 4.33Å
90H96.5Very high94.6Very high56 Ų5653.8 Ų53.826%0.25929%0.289SS..EExtended strand (participates in β ladder)trans-88.1124.1-175.1-71-72.5000112.4K6 L68K6-H90 HydrophobicContact CB-CB 3.9Å; K6-H90 PolarHBondContact N-O 2.89Å; K6-H90 WeakPolarHBondContact O-CB 3.32Å; K6-H90 PolarHBondContact O-N 2.98Å; L68-H90 VanDerWaalsContact O-CA 3.31Å; L68-H90 WeakPolarHBondContact O-CA 3.23Å; L68-H90 PolarHBondContact O-ND1 2.9Å
91N94.6Very high95.2Very high38 Ų3854 Ų5420%0.20329%0.289CS..  trans-152.8130.4171-167.2-46.2000109I4 F5 L68 G69 S93 H96 T97I4-N91 PolarHBondContact O-ND2 2.91Å; F5-N91 HydrophobicContact CD1-CB 3.59Å; F5-N91 HydrophobicContact CE1-CB 3.65Å; L68-N91 CarbonylContact C-O 3.58Å; L68-N91 VanDerWaalsContact C-O 3.27Å; L68-N91 PolarHBondContact O-N 3.44Å; G69-N91 WeakPolarHBondContact CA-O 3.34Å; G69-N91 PolarHBondContact N-O 3.1Å; N91-S93 WeakPolarHBondContact OD1-CB 3.3Å; N91-S93 PolarHBondContact OD1-N 3.13Å; N91-H96 PolarHBondContact ND2-CD2 2.92Å; N91-H96 VanDerWaalsContact ND2-CD2 3.28Å; N91-T97 PolarHBondContact O-OG1 2.9Å
92A92.1Very high95.5Very high87 Ų8753 Ų5372%0.71929%0.29SS*.  trans-82.6-14.3-177.100000113.2A94A92-A94 PolarHBondContact O-N 2.89Å
93S94.9Very high95.6Very high52 Ų5254.5 Ų54.536%0.36430%0.3SS..  trans-71.6115.9176.6173.50000110.1N91 H96 T97N91-S93 WeakPolarHBondContact OD1-CB 3.3Å; N91-S93 PolarHBondContact OD1-N 3.13Å; S93-H96 WeakPolarHBondContact OG-CB 3.28Å; S93-H96 PolarHBondContact OG-N 3.5Å; S93-T97 VanDerWaalsContact O-CB 3.28Å; S93-T97 WeakPolarHBondContact O-CB 3.5Å; S93-T97 PolarHBondContact O-N 3Å; S93-T97 PolarHBondContact O-OG1 2.8Å
94A92.3Very high95.7Very high57 Ų5751.9 Ų51.947%0.47129%0.288SS..Hα-helixtrans-64.3-42.5178.500000111.6V67 A92 H98V67-A94 HydrophobicContact CB-CB 4.41Å; V67-A94 HydrophobicContact CG2-CB 3.93Å; A92-A94 PolarHBondContact O-N 2.89Å; A94-H98 VanDerWaalsContact O-CB 3.24Å; A94-H98 WeakPolarHBondContact O-CB 3.43Å; A94-H98 PolarHBondContact O-N 3.45Å
95E93.6Very high95.7Very high163 Ų16350.7 Ų50.776%0.76228%0.281SS*.Hα-helixtrans-63.1-49.3178.2-175.3-178.1-177.200111.3T97 H98 S99E95-T97 PolarHBondContact O-N 3.47Å; E95-H98 PolarHBondContact O-N 2.95Å; E95-S99 WeakPolarHBondContact O-CB 3.46Å; E95-S99 PolarHBondContact O-N 3.23Å
96H94.1Very high95.8Very high54 Ų5454.7 Ų54.725%0.2530%0.298CS..Hα-helixtrans-60.7-46.9178.6-166.880.3000111.3F5 N91 S93 H98 S99 W100F5-H96 AromaticContact CE2-NE2 3.58Å; F5-H96 AromaticContact CZ-CD2 3.55Å; F5-H96 AromaticContact CZ-NE2 3.52Å; N91-H96 PolarHBondContact ND2-CD2 2.92Å; N91-H96 VanDerWaalsContact ND2-CD2 3.28Å; S93-H96 WeakPolarHBondContact OG-CB 3.28Å; S93-H96 PolarHBondContact OG-N 3.5Å; H96-H98 VanDerWaalsContact C-N 3.32Å; H96-H98 PolarHBondContact O-N 3.12Å; H96-S99 PolarHBondContact O-N 3.39Å; H96-W100 AromaticContact CD2-CD1 3.83Å; H96-W100 AromaticContact CD2-NE1 3.9Å; H96-W100 AromaticContact CE1-CD1 3.9Å; H96-W100 AromaticContact CE1-NE1 3.37Å; H96-W100 PolarHBondContact CE1-NE1 2.91Å; H96-W100 AromaticContact NE2-CD1 3.64Å; H96-W100 AromaticContact NE2-NE1 3.22Å; H96-W100 PolarHBondContact NE2-NE1 3.04Å; H96-W100 VanDerWaalsContact O-CD1 3.23Å; H96-W100 PolarHBondContact O-N 3.46Å; H96-W100 VanDerWaalsContact O-N 3.11Å
97T95.3Very high95.8Very high1 Ų155 Ų551%0.00630%0.298CS..Hα-helixtrans-62.2-40.6178.6-59.60000111.7V53 V67 G69 L70 N91 S93 E95 Y101V53-T97 HydrophobicContact CG1-CG2 3.97Å; V67-T97 HydrophobicContact CG1-CG2 3.59Å; G69-T97 WeakPolarHBondContact O-CG2 3.5Å; L70-T97 HydrophobicContact CD2-CG2 3.48Å; L70-T97 VanDerWaalsContact CD2-CG2 3.48Å; L70-T97 HydrophobicContact CG-CG2 3.89Å; N91-T97 PolarHBondContact O-OG1 2.9Å; S93-T97 VanDerWaalsContact O-CB 3.28Å; S93-T97 WeakPolarHBondContact O-CB 3.5Å; S93-T97 PolarHBondContact O-N 3Å; S93-T97 PolarHBondContact O-OG1 2.8Å; E95-T97 PolarHBondContact O-N 3.47Å; T97-Y101 VanDerWaalsContact O-CB 3.28Å; T97-Y101 WeakPolarHBondContact O-CB 3.49Å; T97-Y101 PolarHBondContact O-N 3.29Å
98H94.9Very high95.7Very high101 Ų10155 Ų5547%0.46830%0.298SS..Hα-helixtrans-70.1-41.4-179-167.960.6000112.2A94 E95 H96 Y101 N102A94-H98 VanDerWaalsContact O-CB 3.24Å; A94-H98 WeakPolarHBondContact O-CB 3.43Å; A94-H98 PolarHBondContact O-N 3.45Å; E95-H98 PolarHBondContact O-N 2.95Å; H96-H98 VanDerWaalsContact C-N 3.32Å; H96-H98 PolarHBondContact O-N 3.12Å; H98-Y101 PolarHBondContact O-N 2.92Å; H98-N102 PolarHBondContact CD2-ND2 3.27Å; H98-N102 PolarHBondContact NE2-ND2 3.01Å; H98-N102 VanDerWaalsContact NE2-ND2 3.13Å; H98-N102 VanDerWaalsContact O-CG 3.3Å; H98-N102 PolarHBondContact O-N 3.45Å; H98-N102 PolarHBondContact O-ND2 2.92Å
99S96.9Very high95.5Very high58 Ų5854.7 Ų54.741%0.40630%0.301SS..Hα-helixtrans-56.9-50.4173.6178.90000111.3E95 H96 Y101 N102 T103E95-S99 WeakPolarHBondContact O-CB 3.46Å; E95-S99 PolarHBondContact O-N 3.23Å; H96-S99 PolarHBondContact O-N 3.39Å; S99-Y101 PolarHBondContact O-N 3.3Å; S99-N102 PolarHBondContact O-N 2.91Å; S99-T103 PolarHBondContact O-N 2.78Å; S99-T103 PolarHBondContact O-OG1 3.24Å
100W97.7Very high95.4Very high4 Ų457.6 Ų57.62%0.01533%0.331CS..Hα-helixtrans-63.8-40.5177-83.672.9000113.3M1 F5 V14 L16 L21 L70 H96 N102 T103 L104M1-W100 HydrophobicContact CB-CZ2 4.31Å; M1-W100 HydrophobicContact CG-CD2 4.32Å; M1-W100 HydrophobicContact CG-CH2 4.41Å; M1-W100 HydrophobicContact CG-CZ2 3.68Å; M1-W100 HydrophobicContact SD-CB 4.41Å; M1-W100 HydrophobicContact SD-CD2 3.59Å; M1-W100 VanDerWaalsContact SD-CD2 3.59Å; M1-W100 HydrophobicContact SD-CE3 4.36Å; M1-W100 HydrophobicContact SD-CG 3.61Å; M1-W100 HydrophobicContact SD-CZ2 4.08Å; M1-W100 PolarHBondContact SD-NE1 3.15Å; M1-W100 VanDerWaalsContact SD-NE1 3.38Å; F5-W100 AromaticContact CE2-CD2 3.7Å; F5-W100 HydrophobicContact CE2-CD2 3.7Å; F5-W100 AromaticContact CE2-CE2 3.54Å; F5-W100 AromaticContact CE2-CE3 3.98Å; F5-W100 HydrophobicContact CE2-CE3 3.98Å; F5-W100 HydrophobicContact CE2-CG 4.25Å; F5-W100 HydrophobicContact CE2-CH2 4.03Å; F5-W100 AromaticContact CE2-CZ2 3.76Å; F5-W100 HydrophobicContact CE2-CZ2 3.76Å; F5-W100 HydrophobicContact CE2-CZ3 4.11Å; F5-W100 AromaticContact CE2-NE1 3.94Å; F5-W100 HydrophobicContact CZ-CB 4.35Å; F5-W100 AromaticContact CZ-CD1 3.91Å; F5-W100 AromaticContact CZ-CD2 3.63Å; F5-W100 HydrophobicContact CZ-CD2 3.63Å; F5-W100 AromaticContact CZ-CE2 3.84Å; F5-W100 HydrophobicContact CZ-CE3 4.09Å; F5-W100 AromaticContact CZ-CG 3.72Å; F5-W100 HydrophobicContact CZ-CG 3.72Å; F5-W100 HydrophobicContact CZ-CZ2 4.49Å; F5-W100 AromaticContact CZ-NE1 3.95Å; V14-W100 HydrophobicContact CB-CH2 4.24Å; V14-W100 HydrophobicContact CG1-CH2 3.93Å; V14-W100 HydrophobicContact CG1-CZ3 3.97Å; L16-W100 HydrophobicContact CB-CE3 4.29Å; L16-W100 HydrophobicContact CB-CH2 3.79Å; L16-W100 HydrophobicContact CB-CZ3 3.49Å; L16-W100 VanDerWaalsContact CB-CZ3 3.49Å; L16-W100 HydrophobicContact CD2-CE3 4.08Å; L16-W100 HydrophobicContact CD2-CZ3 4.12Å; L16-W100 HydrophobicContact CG-CZ3 4.42Å; L21-W100 HydrophobicContact CD1-CZ3 4.15Å; L70-W100 HydrophobicContact CD1-CB 3.67Å; H96-W100 AromaticContact CD2-CD1 3.83Å; H96-W100 AromaticContact CD2-NE1 3.9Å; H96-W100 AromaticContact CE1-CD1 3.9Å; H96-W100 AromaticContact CE1-NE1 3.37Å; H96-W100 PolarHBondContact CE1-NE1 2.91Å; H96-W100 AromaticContact NE2-CD1 3.64Å; H96-W100 AromaticContact NE2-NE1 3.22Å; H96-W100 PolarHBondContact NE2-NE1 3.04Å; H96-W100 VanDerWaalsContact O-CD1 3.23Å; H96-W100 PolarHBondContact O-N 3.46Å; H96-W100 VanDerWaalsContact O-N 3.11Å; W100-N102 PolarHBondContact O-N 3.11Å; W100-T103 PolarHBondContact O-N 2.84Å; W100-L104 WeakPolarHBondContact O-CB 3.43Å; W100-L104 WeakPolarHBondContact O-CG 3.3Å; W100-L104 PolarHBondContact O-N 3.4Å
101Y97.4Very high95.3Very high51 Ų5157.7 Ų57.720%0.233%0.331CS..Hα-helixtrans-57.8-48.3175.7173.2-102.7000111.4V51 V53 L70 T97 H98 S99 L104 K105V51-Y101 HydrophobicContact CG1-CD2 4.08Å; V51-Y101 HydrophobicContact CG1-CE2 3.95Å; V51-Y101 HydrophobicContact CG2-CD2 4.09Å; V51-Y101 WeakPolarHBondContact O-CE2 3.4Å; V53-Y101 HydrophobicContact CG2-CD1 4.23Å; V53-Y101 HydrophobicContact CG2-CD2 3.66Å; V53-Y101 HydrophobicContact CG2-CE2 4.23Å; V53-Y101 HydrophobicContact CG2-CG 3.67Å; L70-Y101 HydrophobicContact CD2-CD2 4.31Å; T97-Y101 VanDerWaalsContact O-CB 3.28Å; T97-Y101 WeakPolarHBondContact O-CB 3.49Å; T97-Y101 PolarHBondContact O-N 3.29Å; H98-Y101 PolarHBondContact O-N 2.92Å; S99-Y101 PolarHBondContact O-N 3.3Å; Y101-L104 PolarHBondContact O-N 3.03Å; Y101-K105 VanDerWaalsContact O-CB 3.29Å; Y101-K105 WeakPolarHBondContact O-CB 3.36Å; Y101-K105 PolarHBondContact O-N 3.48Å
102N97.1Very high95.2Very high72 Ų7261.6 Ų61.639%0.38536%0.361SS..Hα-helixtrans-64.6-45.2-178.8-68.3-19.3000111H98 S99 W100 K105 E106H98-N102 PolarHBondContact CD2-ND2 3.27Å; H98-N102 PolarHBondContact NE2-ND2 3.01Å; H98-N102 VanDerWaalsContact NE2-ND2 3.13Å; H98-N102 VanDerWaalsContact O-CG 3.3Å; H98-N102 PolarHBondContact O-N 3.45Å; H98-N102 PolarHBondContact O-ND2 2.92Å; S99-N102 PolarHBondContact O-N 2.91Å; W100-N102 PolarHBondContact O-N 3.11Å; N102-K105 PolarHBondContact O-N 2.7Å; N102-E106 WeakPolarHBondContact O-CB 3.27Å; N102-E106 PolarHBondContact O-N 3.34Å
103T97.4Very high95.4Very high37 Ų3760.4 Ų60.423%0.22735%0.345CS..Hα-helixtrans-63-43.8176.7-600000112.3M1 L16 S99 W100 E106 L107M1-T103 HydrophobicContact CE-CG2 4.12Å; M1-T103 WeakPolarHBondContact CE-OG1 3.29Å; L16-T103 HydrophobicContact CD2-CG2 3.96Å; S99-T103 PolarHBondContact O-N 2.78Å; S99-T103 PolarHBondContact O-OG1 3.24Å; W100-T103 PolarHBondContact O-N 2.84Å; T103-E106 PolarHBondContact O-N 3.04Å; T103-L107 HydrophobicContact CG2-CD1 4.24Å; T103-L107 VanDerWaalsContact O-CG 3.31Å; T103-L107 WeakPolarHBondContact O-CG 3.24Å; T103-L107 PolarHBondContact O-N 2.87Å
104L97.4Very high95.5Very high1 Ų159.1 Ų59.11%0.00533%0.332CS..Hα-helixtrans-62.2-45.8174.8-78.5164.4000110.8L16 L21 L45 V51 L70 L72 W100 Y101 E106 L107 L108L16-L104 HydrophobicContact CD1-CD2 3.61Å; L16-L104 HydrophobicContact CD2-CD2 3.77Å; L16-L104 HydrophobicContact CD2-CG 3.83Å; L16-L104 HydrophobicContact CG-CD2 4.36Å; L21-L104 HydrophobicContact CD1-CD2 4.49Å; L45-L104 HydrophobicContact CD2-CD2 3.95Å; V51-L104 HydrophobicContact CG1-CB 4.17Å; V51-L104 HydrophobicContact CG2-CB 4.31Å; V51-L104 HydrophobicContact CG2-CD1 4.04Å; L70-L104 HydrophobicContact CD1-CD1 3.85Å; L72-L104 HydrophobicContact CD1-CD1 4.12Å; L72-L104 HydrophobicContact CD2-CD1 4.15Å; L72-L104 HydrophobicContact CD2-CD2 4.15Å; L72-L104 HydrophobicContact CG-CD1 4.33Å; W100-L104 WeakPolarHBondContact O-CB 3.43Å; W100-L104 WeakPolarHBondContact O-CG 3.3Å; W100-L104 PolarHBondContact O-N 3.4Å; Y101-L104 PolarHBondContact O-N 3.03Å; L104-E106 VanDerWaalsContact C-N 3.31Å; L104-E106 PolarHBondContact O-N 3.2Å; L104-L107 PolarHBondContact O-N 3.11Å; L104-L108 VanDerWaalsContact O-CG 3.26Å; L104-L108 WeakPolarHBondContact O-CG 3.34Å; L104-L108 PolarHBondContact O-N 3.48Å
105K95.9Very high95.8Very high57 Ų5756.7 Ų56.725%0.24831%0.311CS..Hα-helixtrans-60.6-42.1179.4-169.867-178.5175.30111.2V51 Y101 N102 L108 T109 D147V51-K105 HydrophobicContact CG1-CB 4.35Å; V51-K105 HydrophobicContact CG1-CD 4.34Å; Y101-K105 VanDerWaalsContact O-CB 3.29Å; Y101-K105 WeakPolarHBondContact O-CB 3.36Å; Y101-K105 PolarHBondContact O-N 3.48Å; N102-K105 PolarHBondContact O-N 2.7Å; K105-L108 PolarHBondContact O-N 3.25Å; K105-T109 WeakPolarHBondContact O-CG2 3.29Å; K105-T109 PolarHBondContact O-N 2.98Å; K105-T109 PolarHBondContact O-OG1 3.16Å; K105-D147 IonicContact NZ-OD2 2.66Å; K105-D147 PolarHBondContact NZ-OD2 3.24Å
106E95.8Very high95.9Very high138 Ų13856.3 Ų56.365%0.64530%0.303SS*.Hα-helixtrans-60.1-49.2175.2-174.4-179.8-176.800111.9N102 T103 L104 L108 T109 G110N102-E106 WeakPolarHBondContact O-CB 3.27Å; N102-E106 PolarHBondContact O-N 3.34Å; T103-E106 PolarHBondContact O-N 3.04Å; L104-E106 VanDerWaalsContact C-N 3.31Å; L104-E106 PolarHBondContact O-N 3.2Å; E106-L108 VanDerWaalsContact C-N 3.32Å; E106-L108 PolarHBondContact O-N 3.23Å; E106-T109 WeakPolarHBondContact CA-OG1 3.38Å; E106-T109 PolarHBondContact O-N 3.21Å; E106-T109 PolarHBondContact O-OG1 3.28Å; E106-G110 PolarHBondContact O-N 3.44Å
107L96.9Very high96.1Very high46 Ų4656.1 Ų56.124%0.24130%0.3CS..Hα-helixtrans-59.4-42.8176.1-69.4171.6000111.8L16 R18 L45 T103 L104 G110L16-L107 HydrophobicContact CD1-CD1 4.02Å; L16-L107 HydrophobicContact CD2-CD1 4.13Å; L16-L107 HydrophobicContact CG-CD1 4.12Å; R18-L107 HydrophobicContact CG-CD2 4.35Å; L45-L107 HydrophobicContact CD1-CB 4.13Å; L45-L107 HydrophobicContact CD1-CD1 3.71Å; L45-L107 HydrophobicContact CD1-CG 4.47Å; T103-L107 HydrophobicContact CG2-CD1 4.24Å; T103-L107 VanDerWaalsContact O-CG 3.31Å; T103-L107 WeakPolarHBondContact O-CG 3.24Å; T103-L107 PolarHBondContact O-N 2.87Å; L104-L107 PolarHBondContact O-N 3.11Å; L107-G110 PolarHBondContact O-N 2.86Å
108L95.7Very high96.3Very high14 Ų1456 Ų567%0.07330%0.3CS..Hα-helixtrans-68.4-32.5178-64.8-174.8000112.8V48 V51 L104 K105 E106 G110 F111V48-L108 HydrophobicContact CB-CD2 4.04Å; V48-L108 HydrophobicContact CG1-CD1 3.88Å; V48-L108 HydrophobicContact CG1-CD2 4.06Å; V48-L108 VanDerWaalsContact O-CD2 3.31Å; V48-L108 WeakPolarHBondContact O-CD2 3.39Å; V51-L108 HydrophobicContact CB-CD1 4.29Å; V51-L108 HydrophobicContact CG1-CD1 4.02Å; L104-L108 VanDerWaalsContact O-CG 3.26Å; L104-L108 WeakPolarHBondContact O-CG 3.34Å; L104-L108 PolarHBondContact O-N 3.48Å; K105-L108 PolarHBondContact O-N 3.25Å; E106-L108 VanDerWaalsContact C-N 3.32Å; E106-L108 PolarHBondContact O-N 3.23Å; L108-G110 PolarHBondContact O-N 3.39Å; L108-F111 HydrophobicContact CD2-CE2 4.16Å; L108-F111 WeakPolarHBondContact O-CD2 3.27Å
109T92.8Very high96.4Very high62 Ų6252 Ų5238%0.3828%0.281SS..Hα-helixtrans-72.3-15.5174.752.10000113.6K105 E106 F111 R116K105-T109 WeakPolarHBondContact O-CG2 3.29Å; K105-T109 PolarHBondContact O-N 2.98Å; K105-T109 PolarHBondContact O-OG1 3.16Å; E106-T109 WeakPolarHBondContact CA-OG1 3.38Å; E106-T109 PolarHBondContact O-N 3.21Å; E106-T109 PolarHBondContact O-OG1 3.28Å; T109-F111 VanDerWaalsContact C-N 3.31Å; T109-R116 PolarHBondContact O-NH2 3.47Å
110G93.3Very high96.5Very high60 Ų6049.2 Ų49.262%0.61926%0.261SS*.THydrogen-bonded Turntrans-76.6-10.8177.800000114.8E106 L107 L108 S112E106-G110 PolarHBondContact O-N 3.44Å; L107-G110 PolarHBondContact O-N 2.86Å; L108-G110 PolarHBondContact O-N 3.39Å; G110-S112 PolarHBondContact O-N 3.46Å
111F95.3Very high96.5Very high59 Ų5949.1 Ų49.126%0.25926%0.261SS..  trans-7898.8173.3-67.1-84.7000110.1L45 Q46 L108 T109 T113 R114L45-F111 HydrophobicContact CB-CE2 4.38Å; L45-F111 HydrophobicContact CB-CZ 4.19Å; Q46-F111 HydrophobicContact CB-CE1 4.01Å; Q46-F111 HydrophobicContact CB-CZ 4.29Å; L108-F111 HydrophobicContact CD2-CE2 4.16Å; L108-F111 WeakPolarHBondContact O-CD2 3.27Å; T109-F111 VanDerWaalsContact C-N 3.31Å; F111-T113 VanDerWaalsContact C-N 3.28Å; F111-T113 PolarHBondContact O-N 3.04Å; F111-R114 HydrophobicContact CB-CB 4.45Å; F111-R114 HydrophobicContact CB-CG 3.81Å; F111-R114 PolarHBondContact O-N 3.19Å
112S93.3Very high96.4Very high119 Ų11947 Ų4783%0.83225%0.253SS*.THydrogen-bonded Turntrans-66.7-23.6-174.754.10000114.6G110 R114G110-S112 PolarHBondContact O-N 3.46Å; S112-R114 VanDerWaalsContact C-N 3.3Å
113T95.5Very high96Very high63 Ų6345.3 Ų45.339%0.38724%0.244SC..THydrogen-bonded Turntrans-80.9-9.9179.6610000113.4F111 G247 L249F111-T113 VanDerWaalsContact C-N 3.28Å; F111-T113 PolarHBondContact O-N 3.04Å; T113-G247 WeakPolarHBondContact CB-O 3.45Å; T113-G247 VanDerWaalsContact O-CA 3.3Å; T113-G247 WeakPolarHBondContact O-CA 3.35Å; T113-G247 PolarHBondContact OG1-O 3Å; T113-L249 HydrophobicContact CG2-CD1 3.81Å
114R96.9Very high95.3Very high25 Ų2545.3 Ų45.39%0.09425%0.245CC..SBendtrans-82.2120.1-179.8-67.4-173.1-174.91780.2110.3L45 Q46 V48 F111 S112 V245 L246L45-R114 PolarHBondContact O-NH2 3.43Å; Q46-R114 VanDerWaalsContact C-NH2 3.27Å; Q46-R114 PolarHBondContact O-NH2 3.23Å; V48-R114 PolarHBondContact O-NH1 3.37Å; V48-R114 PolarHBondContact O-NH2 3.34Å; V48-R114 VanDerWaalsContact O-NH2 3.12Å; F111-R114 HydrophobicContact CB-CB 4.45Å; F111-R114 HydrophobicContact CB-CG 3.81Å; F111-R114 PolarHBondContact O-N 3.19Å; S112-R114 VanDerWaalsContact C-N 3.3Å; R114-V245 WeakPolarHBondContact CD-O 3.23Å; R114-L246 WeakPolarHBondContact CG-O 3.22Å; R114-L246 PolarHBondContact NE-O 2.96Å
115P97.7Very high94.3Very high6 Ų649.7 Ų49.74%0.03928%0.276CS..  trans-70.5145.9-177.530-34.3000111V118 V148 D174 V244 Y483P115-V118 HydrophobicContact CB-CG1 3.57Å; P115-V118 HydrophobicContact CG-CG1 4Å; P115-V148 WeakPolarHBondContact O-CG2 3.29Å; P115-D174 HydrophobicContact CB-CB 3.77Å; P115-V244 WeakPolarHBondContact CD-O 3.35Å; P115-V244 HydrophobicContact CG-CG1 3.98Å; P115-V244 WeakPolarHBondContact CG-O 3.44Å; P115-Y483 HydrophobicContact CG-CE1 4.34Å
116R96.9Very high92.8Very high154 Ų15447.4 Ų47.458%0.58127%0.267SS*.SBendtrans-108.7-26.5174.1-60.9-179.4178.8-176.21111.8T109 R149 D174T109-R116 PolarHBondContact O-NH2 3.47Å; R116-R149 PolarHBondContact O-N 3.45Å; R116-D174 WeakPolarHBondContact CA-OD2 3.19Å; R116-D174 WeakPolarHBondContact CB-OD2 3.38Å; R116-D174 PolarHBondContact N-OD2 2.79Å
117Y98.1Very high91.2Very high50 Ų5042.7 Ų42.720%0.19625%0.245CC..EExtended strand (participates in β ladder)trans-141.3123175.8-170.8-151.1000111.2R149 D151 E172 Y173 D174Y117-R149 WeakPolarHBondContact CA-O 3.22Å; Y117-R149 HydrophobicContact CD2-CB 3.52Å; Y117-R149 WeakPolarHBondContact CD2-O 3.39Å; Y117-R149 HydrophobicContact CE2-CB 4.15Å; Y117-R149 HydrophobicContact CG-CB 4.28Å; Y117-D151 HydrophobicContact CE2-CB 3.98Å; Y117-E172 VanDerWaalsContact CD1-O 3.28Å; Y117-E172 WeakPolarHBondContact CD1-O 3.28Å; Y117-Y173 AromaticContact CD1-CD1 3.84Å; Y117-Y173 HydrophobicContact CD1-CD1 3.84Å; Y117-Y173 HydrophobicContact CD1-CE1 4.06Å; Y117-Y173 HydrophobicContact CD2-CD1 4.44Å; Y117-Y173 AromaticContact CE1-CD1 3.82Å; Y117-Y173 HydrophobicContact CE1-CD1 3.82Å; Y117-Y173 AromaticContact CE1-CE1 3.53Å; Y117-Y173 HydrophobicContact CE1-CE1 3.53Å; Y117-Y173 HydrophobicContact CE2-CD1 4.43Å; Y117-Y173 HydrophobicContact CE2-CE1 4.11Å; Y117-Y173 HydrophobicContact CG-CD1 4.17Å; Y117-Y173 AromaticContact CZ-CE1 3.57Å; Y117-D174 PolarHBondContact N-OD2 3.48Å; Y117-D174 PolarHBondContact O-N 2.85Å
118V98.6Very high89.7Confident0 Ų047.2 Ų47.20%026%0.263CS..EExtended strand (participates in β ladder)trans-125.1143.9-178.1-600000112.4P115 V120 F143 V148 R149 T150 D151 G175 V177P115-V118 HydrophobicContact CB-CG1 3.57Å; P115-V118 HydrophobicContact CG-CG1 4Å; V118-V120 HydrophobicContact CG2-CG2 3.97Å; V118-F143 HydrophobicContact CG2-CD2 4.2Å; V118-F143 HydrophobicContact CG2-CE2 3.91Å; V118-V148 HydrophobicContact CG1-CG1 4.2Å; V118-V148 HydrophobicContact CG2-CG1 4Å; V118-R149 PolarHBondContact N-O 3.29Å; V118-T150 HydrophobicContact CG2-CG2 3.94Å; V118-T150 WeakPolarHBondContact O-CA 3.33Å; V118-D151 PolarHBondContact O-N 3.49Å; V118-G175 VanDerWaalsContact CA-O 3.26Å; V118-G175 WeakPolarHBondContact CA-O 3.46Å; V118-G175 WeakPolarHBondContact CB-O 3.48Å; V118-V177 HydrophobicContact CB-CG2 4.18Å; V118-V177 HydrophobicContact CG2-CG2 4.13Å
119K98.3Very high88.6Confident15 Ų1553.9 Ų53.97%0.06529%0.291CS..EExtended strand (participates in β ladder)trans-87.6118.3169.5-173.666.6170-177.80109.4F121 D151 T153 Y173 G175 V176 V177K119-F121 HydrophobicContact CG-CD2 4.29Å; K119-F121 HydrophobicContact CG-CE2 3.62Å; K119-F121 HydrophobicContact CG-CZ 4.14Å; K119-D151 CarbonylContact C-O 3.53Å; K119-D151 HydrophobicContact CD-CB 3.9Å; K119-D151 IonicContact NZ-OD1 3.54Å; K119-D151 PolarHBondContact NZ-OD1 3.48Å; K119-D151 IonicContact NZ-OD2 2.85Å; K119-D151 PolarHBondContact NZ-OD2 3.18Å; K119-T153 WeakPolarHBondContact CE-OG1 3.44Å; K119-T153 PolarHBondContact NZ-OG1 2.93Å; K119-Y173 HydrophobicContact CB-CD1 3.86Å; K119-Y173 HydrophobicContact CB-CD2 4.42Å; K119-Y173 HydrophobicContact CB-CE1 3.95Å; K119-Y173 HydrophobicContact CB-CG 4.1Å; K119-Y173 HydrophobicContact CD-CE1 4.12Å; K119-G175 PolarHBondContact N-O 3.49Å; K119-V176 CarbonylContact O-C 3.52Å; K119-V176 WeakPolarHBondContact O-CA 3.42Å; K119-V177 PolarHBondContact O-N 2.91Å
120V98.3Very high88Confident0 Ų055 Ų550%029%0.292CS..EExtended strand (participates in β ladder)trans-105.5122.5-177-172.90000110.1V118 I122 Y135 T150 D151 I152 T153 V177 V179V118-V120 HydrophobicContact CG2-CG2 3.97Å; V120-I122 HydrophobicContact CG1-CD1 4.37Å; V120-I122 HydrophobicContact CG1-CG1 3.93Å; V120-Y135 HydrophobicContact CB-CE2 4.44Å; V120-Y135 HydrophobicContact CG1-CD2 4.05Å; V120-Y135 HydrophobicContact CG1-CE2 3.66Å; V120-Y135 HydrophobicContact CG2-CE2 4.18Å; V120-T150 HydrophobicContact CG2-CG2 3.95Å; V120-D151 PolarHBondContact N-O 3.22Å; V120-I152 HydrophobicContact CB-CG1 4.3Å; V120-I152 CarbonylContact O-C 3.56Å; V120-I152 WeakPolarHBondContact O-CA 3.46Å; V120-T153 PolarHBondContact O-N 2.86Å; V120-V177 CarbonylContact C-O 3.46Å; V120-V177 WeakPolarHBondContact CA-O 3.47Å; V120-V177 HydrophobicContact CG1-CB 4.47Å; V120-V177 HydrophobicContact CG1-CG1 4.48Å; V120-V177 HydrophobicContact CG2-CB 4.28Å; V120-V179 HydrophobicContact CG1-CG2 3.99Å
121F97.6Very high87.6Confident3 Ų352.1 Ų52.11%0.01326%0.262CS..EExtended strand (participates in β ladder)trans-101.8128.4170.2-71.3-90.4000110.2K119 T153 T155 A161 V164 M165 V176 V177 V179 L188K119-F121 HydrophobicContact CG-CD2 4.29Å; K119-F121 HydrophobicContact CG-CE2 3.62Å; K119-F121 HydrophobicContact CG-CZ 4.14Å; F121-T153 CarbonylContact C-O 3.58Å; F121-T153 WeakPolarHBondContact CA-O 3.3Å; F121-T153 HydrophobicContact CD1-CG2 4.01Å; F121-T153 HydrophobicContact CE1-CG2 3.91Å; F121-T155 HydrophobicContact CD1-CG2 4.07Å; F121-A161 HydrophobicContact CD1-CB 3.91Å; F121-A161 HydrophobicContact CE1-CB 4.14Å; F121-V164 HydrophobicContact CE1-CB 3.87Å; F121-V164 HydrophobicContact CE1-CG1 3.78Å; F121-V164 HydrophobicContact CZ-CB 4.15Å; F121-V164 HydrophobicContact CZ-CG1 3.76Å; F121-M165 HydrophobicContact CE2-CG 4.14Å; F121-M165 HydrophobicContact CE2-SD 3.55Å; F121-M165 VanDerWaalsContact CE2-SD 3.55Å; F121-M165 HydrophobicContact CZ-CG 3.84Å; F121-M165 HydrophobicContact CZ-SD 3.67Å; F121-V176 HydrophobicContact CD2-CG1 3.79Å; F121-V176 HydrophobicContact CE2-CG1 3.89Å; F121-V177 PolarHBondContact N-O 3.27Å; F121-V179 PolarHBondContact O-N 3.47Å; F121-L188 HydrophobicContact CB-CD1 3.7Å; F121-L188 HydrophobicContact CD2-CD1 4Å; F121-L188 HydrophobicContact CD2-CD2 3.76Å; F121-L188 HydrophobicContact CE2-CD2 3.9Å; F121-L188 HydrophobicContact CG-CD1 3.95Å; F121-L188 HydrophobicContact CG-CD2 4.1Å; F121-L188 HydrophobicContact CZ-CD2 4.36Å
122I95.3Very high87.4Confident5 Ų552.1 Ų52.13%0.02627%0.267CS..EExtended strand (participates in β ladder)trans-122.1121.1179-52.5179.5000108.5V120 P124 A131 V132 Y135 I152 T153 V154 T155 V179V120-I122 HydrophobicContact CG1-CD1 4.37Å; V120-I122 HydrophobicContact CG1-CG1 3.93Å; I122-P124 VanDerWaalsContact O-CD 3.3Å; I122-P124 WeakPolarHBondContact O-CD 3.21Å; I122-A131 HydrophobicContact CG2-CB 4.12Å; I122-V132 HydrophobicContact CG2-CG2 3.96Å; I122-Y135 HydrophobicContact CD1-CD1 3.61Å; I122-Y135 HydrophobicContact CD1-CD2 4.27Å; I122-Y135 HydrophobicContact CD1-CE1 4.18Å; I122-Y135 HydrophobicContact CD1-CG 3.64Å; I122-I152 HydrophobicContact CD1-CG2 3.64Å; I122-I152 HydrophobicContact CG1-CG2 4.17Å; I122-T153 PolarHBondContact N-O 2.9Å; I122-V154 CarbonylContact O-C 3.6Å; I122-V154 WeakPolarHBondContact O-CA 3.48Å; I122-T155 PolarHBondContact O-N 2.86Å; I122-T155 PolarHBondContact O-OG1 2.79Å; I122-V179 HydrophobicContact CG1-CB 4.21Å; I122-V179 HydrophobicContact CG1-CG2 4.17Å; I122-V179 HydrophobicContact CG2-CB 4.4Å
123N89.8Confident87.3Confident37 Ų3750 Ų5020%0.19824%0.244CC..  trans-92.5103.6171.4177.9-5.5000110.3S125 S126 A131 T155 V179 S184N123-S125 PolarHBondContact O-N 3.29Å; N123-S125 PolarHBondContact OD1-N 3.48Å; N123-S126 WeakPolarHBondContact CB-OG 3.27Å; N123-S126 VanDerWaalsContact CG-OG 3.25Å; N123-S126 PolarHBondContact ND2-OG 2.91Å; N123-S126 VanDerWaalsContact ND2-OG 3.13Å; N123-S126 VanDerWaalsContact O-CB 3.31Å; N123-S126 WeakPolarHBondContact O-CB 3.39Å; N123-S126 PolarHBondContact O-N 2.8Å; N123-S126 VanDerWaalsContact O-N 3.12Å; N123-S126 PolarHBondContact O-OG 2.87Å; N123-S126 PolarHBondContact OD1-N 3.12Å; N123-A131 VanDerWaalsContact O-CB 3.25Å; N123-A131 WeakPolarHBondContact O-CB 3.11Å; N123-T155 WeakPolarHBondContact CA-OG1 3.31Å; N123-V179 PolarHBondContact N-O 2.61Å; N123-V179 VanDerWaalsContact N-O 3.13Å; N123-S184 PolarHBondContact ND2-OG 3.3Å
124P82.6Confident87.1Confident38 Ų3848 Ų4825%0.24723%0.23CC..THydrogen-bonded Turntrans-70.4-17.9-174.633.1-36.8000112.8I122 S126 K129 V132 V154 T155I122-P124 VanDerWaalsContact O-CD 3.3Å; I122-P124 WeakPolarHBondContact O-CD 3.21Å; P124-S126 VanDerWaalsContact C-N 3.32Å; P124-K129 VanDerWaalsContact O-CA 3.3Å; P124-K129 WeakPolarHBondContact O-CA 3.47Å; P124-K129 WeakPolarHBondContact O-CB 3.14Å; P124-V132 HydrophobicContact CB-CG2 4.02Å; P124-V154 HydrophobicContact CB-CG1 4.13Å; P124-V154 HydrophobicContact CG-CG1 3.71Å; P124-T155 WeakPolarHBondContact CD-O 3.35Å; P124-T155 VanDerWaalsContact CG-O 3.32Å; P124-T155 WeakPolarHBondContact CG-O 3.42Å
125S75.6Confident87Confident93 Ų9347.4 Ų47.465%0.6523%0.228SC*.THydrogen-bonded Turntrans-86.3-6.6177.3-62.70000112.7N123 H127N123-S125 PolarHBondContact O-N 3.29Å; N123-S125 PolarHBondContact OD1-N 3.48Å; S125-H127 PolarHBondContact O-N 2.8Å
126S65.6Low86.9Confident9 Ų953.7 Ų53.76%0.06325%0.251CS..SBendtrans-63.5131.8178.5-72.20000111.2N123 P124 K128 K129N123-S126 WeakPolarHBondContact CB-OG 3.27Å; N123-S126 VanDerWaalsContact CG-OG 3.25Å; N123-S126 PolarHBondContact ND2-OG 2.91Å; N123-S126 VanDerWaalsContact ND2-OG 3.13Å; N123-S126 VanDerWaalsContact O-CB 3.31Å; N123-S126 WeakPolarHBondContact O-CB 3.39Å; N123-S126 PolarHBondContact O-N 2.8Å; N123-S126 VanDerWaalsContact O-N 3.12Å; N123-S126 PolarHBondContact O-OG 2.87Å; N123-S126 PolarHBondContact OD1-N 3.12Å; P124-S126 VanDerWaalsContact C-N 3.32Å; S126-K128 PolarHBondContact O-N 3.43Å; S126-K129 PolarHBondContact O-N 3.14Å
127H61.8Low86.8Confident38 Ų3850 Ų5018%0.17624%0.243CC..G310 helixtrans4467.2157.3-63.9-58.4000115.6S125 K129 G181 A218 S220 S223S125-H127 PolarHBondContact O-N 2.8Å; H127-K129 VanDerWaalsContact C-N 3.32Å; H127-K129 PolarHBondContact O-N 3.36Å; H127-G181 WeakPolarHBondContact NE2-CA 3.43Å; H127-A218 WeakPolarHBondContact CB-O 3.36Å; H127-S220 VanDerWaalsContact CB-OG 3.31Å; H127-S220 WeakPolarHBondContact CB-OG 3.28Å; H127-S220 PolarHBondContact ND1-OG 3.1Å; H127-S223 VanDerWaalsContact CE1-CB 3.48Å; H127-S223 WeakPolarHBondContact CE1-CB 3.49Å; H127-S223 PolarHBondContact CE1-OG 3.29Å; H127-S223 PolarHBondContact NE2-OG 3.25Å
128K65.4Low86.6Confident142 Ų14252.1 Ų52.162%0.61725%0.254SS*.G310 helixtrans69.917.5-179.2-52.6178.6-178.4173.90115.5S126 E130 T221S126-K128 PolarHBondContact O-N 3.43Å; K128-E130 VanDerWaalsContact C-N 3.31Å; K128-E130 HydrophobicContact CB-CG 4.33Å; K128-T221 PolarHBondContact NZ-OG1 3Å
129K72.4Confident86.6Confident153 Ų15352.1 Ų52.167%0.66525%0.254SS*.G310 helixtrans68.827.5179.1-48.6179.6177.7-178.40114P124 S126 H127 H133P124-K129 VanDerWaalsContact O-CA 3.3Å; P124-K129 WeakPolarHBondContact O-CA 3.47Å; P124-K129 WeakPolarHBondContact O-CB 3.14Å; S126-K129 PolarHBondContact O-N 3.14Å; H127-K129 VanDerWaalsContact C-N 3.32Å; H127-K129 PolarHBondContact O-N 3.36Å; K129-H133 PolarHBondContact O-ND1 3.28Å
130E79.3Confident86.5Confident85 Ų8552.7 Ų52.740%0.39726%0.262SS..THydrogen-bonded Turntrans-88.6-16.4-179.4-64.6-58.4152.100113.4K128 V132 H133 I134K128-E130 VanDerWaalsContact C-N 3.31Å; K128-E130 HydrophobicContact CB-CG 4.33Å; E130-V132 VanDerWaalsContact C-N 3.25Å; E130-V132 PolarHBondContact O-N 2.9Å; E130-V132 VanDerWaalsContact O-N 3.14Å; E130-H133 CarbonylContact O-C 3.54Å; E130-H133 WeakPolarHBondContact O-CA 3.46Å; E130-H133 WeakPolarHBondContact O-CB 3.48Å; E130-H133 PolarHBondContact O-N 3.15Å; E130-H133 IonicContact OE2-CG 2.97Å; E130-H133 IonicContact OE2-ND1 3.91Å; E130-I134 HydrophobicContact CB-CD1 4.1Å; E130-I134 HydrophobicContact CB-CG1 4.44Å; E130-I134 WeakPolarHBondContact O-CG1 3.41Å; E130-I134 PolarHBondContact O-N 3.23Å
131A86.3Confident86.5Confident0 Ų055.7 Ų55.70%028%0.282CS..Hα-helixtrans-53.5-40.4-175.300000113.6I122 N123 Y135 V179 A218I122-A131 HydrophobicContact CG2-CB 4.12Å; N123-A131 VanDerWaalsContact O-CB 3.25Å; N123-A131 WeakPolarHBondContact O-CB 3.11Å; A131-Y135 PolarHBondContact O-N 3.49Å; A131-V179 HydrophobicContact CB-CG1 4.24Å; A131-V179 WeakPolarHBondContact O-CG1 3.31Å; A131-A218 HydrophobicContact CB-CB 3.69Å
132V90.7Very high86.5Confident59 Ų5956.1 Ų56.136%0.35828%0.284SS..Hα-helixtrans-66.1-42176.9179.40000111.3I122 P124 E130 R136I122-V132 HydrophobicContact CG2-CG2 3.96Å; P124-V132 HydrophobicContact CB-CG2 4.02Å; E130-V132 VanDerWaalsContact C-N 3.25Å; E130-V132 PolarHBondContact O-N 2.9Å; E130-V132 VanDerWaalsContact O-N 3.14Å; V132-R136 VanDerWaalsContact O-CB 3.28Å; V132-R136 WeakPolarHBondContact O-CB 2.87Å; V132-R136 PolarHBondContact O-N 3.1Å
133H90.8Very high86.6Confident76 Ų7656 Ų5635%0.35228%0.283SS..Hα-helixtrans-67.1-46.1178.2-64.297.6000111.1K129 E130 Y135 R136 D137K129-H133 PolarHBondContact O-ND1 3.28Å; E130-H133 CarbonylContact O-C 3.54Å; E130-H133 WeakPolarHBondContact O-CA 3.46Å; E130-H133 WeakPolarHBondContact O-CB 3.48Å; E130-H133 PolarHBondContact O-N 3.15Å; E130-H133 IonicContact OE2-CG 2.97Å; E130-H133 IonicContact OE2-ND1 3.91Å; H133-Y135 VanDerWaalsContact C-N 3.3Å; H133-Y135 PolarHBondContact O-N 2.78Å; H133-R136 PolarHBondContact O-N 2.81Å; H133-D137 VanDerWaalsContact O-CB 3.28Å; H133-D137 WeakPolarHBondContact O-CB 3.37Å; H133-D137 PolarHBondContact O-N 2.88Å
134I92Very high87Confident19 Ų1962 Ų6210%0.09731%0.308CS..Hα-helixtrans-56.2-47.3176.2-69.6169.6000110.5E130 H138 V139 I216 A218 P237E130-I134 HydrophobicContact CB-CD1 4.1Å; E130-I134 HydrophobicContact CB-CG1 4.44Å; E130-I134 WeakPolarHBondContact O-CG1 3.41Å; E130-I134 PolarHBondContact O-N 3.23Å; I134-H138 WeakPolarHBondContact O-CB 3.26Å; I134-H138 PolarHBondContact O-N 3.21Å; I134-V139 PolarHBondContact O-N 3.18Å; I134-I216 HydrophobicContact CG2-CG2 4.12Å; I134-A218 HydrophobicContact CD1-CB 4.16Å; I134-P237 HydrophobicContact CG2-CB 3.59Å; I134-P237 HydrophobicContact CG2-CG 3.99Å
135Y95Very high87.6Confident13 Ų1362.8 Ų62.85%0.05131%0.309CS..Iπ-helixtrans-61.9-51.6176.1179.7-99.2000111.7V120 I122 A131 H133 D137 V139 A140 T150 I152 V179V120-Y135 HydrophobicContact CB-CE2 4.44Å; V120-Y135 HydrophobicContact CG1-CD2 4.05Å; V120-Y135 HydrophobicContact CG1-CE2 3.66Å; V120-Y135 HydrophobicContact CG2-CE2 4.18Å; I122-Y135 HydrophobicContact CD1-CD1 3.61Å; I122-Y135 HydrophobicContact CD1-CD2 4.27Å; I122-Y135 HydrophobicContact CD1-CE1 4.18Å; I122-Y135 HydrophobicContact CD1-CG 3.64Å; A131-Y135 PolarHBondContact O-N 3.49Å; H133-Y135 VanDerWaalsContact C-N 3.3Å; H133-Y135 PolarHBondContact O-N 2.78Å; Y135-D137 PolarHBondContact O-N 3.03Å; Y135-V139 HydrophobicContact CD2-CB 3.8Å; Y135-V139 HydrophobicContact CD2-CG1 3.87Å; Y135-V139 HydrophobicContact CD2-CG2 4.48Å; Y135-V139 HydrophobicContact CE2-CB 4.28Å; Y135-V139 HydrophobicContact CE2-CG1 3.97Å; Y135-V139 PolarHBondContact O-N 2.72Å; Y135-V139 VanDerWaalsContact O-N 3.15Å; Y135-A140 HydrophobicContact CD1-CB 4.22Å; Y135-A140 HydrophobicContact CE1-CB 3.8Å; Y135-A140 WeakPolarHBondContact O-CB 3.34Å; Y135-A140 PolarHBondContact O-N 3.32Å; Y135-T150 WeakPolarHBondContact OH-CB 3.4Å; Y135-T150 WeakPolarHBondContact OH-CG2 3.1Å; Y135-T150 PolarHBondContact OH-OG1 2.89Å; Y135-I152 HydrophobicContact CE1-CD1 3.48Å; Y135-I152 VanDerWaalsContact CE1-CD1 3.48Å; Y135-I152 HydrophobicContact CE1-CG1 4.18Å; Y135-V179 HydrophobicContact CD2-CG2 3.88Å; Y135-V179 HydrophobicContact CG-CG2 4.46Å
136R95.4Very high88.6Confident139 Ų13959.1 Ų59.153%0.52528%0.284SS..Iπ-helixtrans-62.2-43.4-175.6-174.3-168.270.2-169.3-3112.9V132 H133 P141V132-R136 VanDerWaalsContact O-CB 3.28Å; V132-R136 WeakPolarHBondContact O-CB 2.87Å; V132-R136 PolarHBondContact O-N 3.1Å; H133-R136 PolarHBondContact O-N 2.81Å; R136-P141 WeakPolarHBondContact O-CD 3.35Å
137D94.4Very high90.1Very high77 Ų7762.2 Ų62.241%0.41230%0.3SS..Iπ-helixtrans-94.4-24.8-167.1-62.2-22000112.7H133 Y135H133-D137 VanDerWaalsContact O-CB 3.28Å; H133-D137 WeakPolarHBondContact O-CB 3.37Å; H133-D137 PolarHBondContact O-N 2.88Å; Y135-D137 PolarHBondContact O-N 3.03Å
138H94.3Very high91.8Very high93 Ų9360.9 Ų60.943%0.43129%0.294SS..Iπ-helixtrans-119.4-44.5-176.9-57.6-57.2000113.9I134 L142 V238I134-H138 WeakPolarHBondContact O-CB 3.26Å; I134-H138 PolarHBondContact O-N 3.21Å; H138-L142 WeakPolarHBondContact O-CD1 3.3Å; H138-V238 HydrophobicContact CB-CG2 4.18Å
139V96.9Very high93.4Very high0 Ų061.9 Ų61.90%029%0.294CS..Iπ-helixtrans-85.4-51.7-172.4-175.60000112.7I134 Y135 P141 L142 F143 I216 A241I134-V139 PolarHBondContact O-N 3.18Å; Y135-V139 HydrophobicContact CD2-CB 3.8Å; Y135-V139 HydrophobicContact CD2-CG1 3.87Å; Y135-V139 HydrophobicContact CD2-CG2 4.48Å; Y135-V139 HydrophobicContact CE2-CB 4.28Å; Y135-V139 HydrophobicContact CE2-CG1 3.97Å; Y135-V139 PolarHBondContact O-N 2.72Å; Y135-V139 VanDerWaalsContact O-N 3.15Å; V139-P141 VanDerWaalsContact C-CD 3.47Å; V139-L142 WeakPolarHBondContact O-CB 3.47Å; V139-L142 PolarHBondContact O-N 3.43Å; V139-L142 VanDerWaalsContact O-N 3.11Å; V139-F143 HydrophobicContact CG1-CD1 4.04Å; V139-F143 HydrophobicContact CG1-CD2 4.24Å; V139-F143 HydrophobicContact CG1-CE1 3.73Å; V139-F143 HydrophobicContact CG1-CE2 3.93Å; V139-F143 HydrophobicContact CG1-CG 4.3Å; V139-F143 HydrophobicContact CG1-CZ 3.66Å; V139-F143 PolarHBondContact O-N 3.02Å; V139-I216 HydrophobicContact CG1-CD1 4.49Å; V139-I216 HydrophobicContact CG1-CG1 4.39Å; V139-I216 HydrophobicContact CG2-CB 4.5Å; V139-I216 HydrophobicContact CG2-CD1 4.43Å; V139-I216 HydrophobicContact CG2-CG1 4.2Å; V139-I216 HydrophobicContact CG2-CG2 3.62Å; V139-A241 HydrophobicContact CG1-CB 4.1Å; V139-A241 HydrophobicContact CG2-CB 4.39Å
140A97.8Very high94.6Very high28 Ų2857.1 Ų57.123%0.23128%0.278CS..Hα-helixtrans-58.4-38.8-177.100000113.2Y135 F143 K144Y135-A140 HydrophobicContact CD1-CB 4.22Å; Y135-A140 HydrophobicContact CE1-CB 3.8Å; Y135-A140 WeakPolarHBondContact O-CB 3.34Å; Y135-A140 PolarHBondContact O-N 3.32Å; A140-F143 PolarHBondContact O-N 2.98Å; A140-K144 VanDerWaalsContact O-CB 3.25Å; A140-K144 WeakPolarHBondContact O-CB 3.46Å; A140-K144 PolarHBondContact O-N 3.05Å
141P97.4Very high95.5Very high63 Ų6355 Ų5541%0.40927%0.27SS..Hα-helixtrans-62-41.1174.2-24.636.5000113.1R136 V139 K144 M145R136-P141 WeakPolarHBondContact O-CD 3.35Å; V139-P141 VanDerWaalsContact C-CD 3.47Å; P141-K144 PolarHBondContact O-N 2.88Å; P141-M145 WeakPolarHBondContact O-CB 3.44Å; P141-M145 PolarHBondContact O-N 3.45Å
142L97.4Very high96.1Very high12 Ų1258.8 Ų58.86%0.06329%0.289CS..Hα-helixtrans-66-46.9177.5-72.4170.3000111.4F49 E84 H138 V139 K144 M145 A146 V238 A241 L242F49-L142 HydrophobicContact CE2-CD2 4.43Å; F49-L142 HydrophobicContact CZ-CD2 4.27Å; E84-L142 WeakPolarHBondContact OE2-CD2 3.14Å; H138-L142 WeakPolarHBondContact O-CD1 3.3Å; V139-L142 WeakPolarHBondContact O-CB 3.47Å; V139-L142 PolarHBondContact O-N 3.43Å; V139-L142 VanDerWaalsContact O-N 3.11Å; L142-K144 VanDerWaalsContact C-N 3.3Å; L142-K144 PolarHBondContact O-N 2.84Å; L142-M145 WeakPolarHBondContact O-CB 3.32Å; L142-M145 PolarHBondContact O-N 3.39Å; L142-M145 VanDerWaalsContact O-N 3.11Å; L142-A146 WeakPolarHBondContact O-CB 3.32Å; L142-A146 PolarHBondContact O-N 3.3Å; L142-V238 HydrophobicContact CD1-CG1 4.09Å; L142-A241 HydrophobicContact CD1-CB 3.83Å; L142-L242 HydrophobicContact CD2-CD2 4.44Å
143F98.4Very high96.4Very high1 Ų157 Ų570%0.00428%0.278CS..Hα-helixtrans-60.7-43.1177.6-7616.4000110.7V118 V139 A140 M145 A146 D147 V148 T150 V177 A241 V244 V245V118-F143 HydrophobicContact CG2-CD2 4.2Å; V118-F143 HydrophobicContact CG2-CE2 3.91Å; V139-F143 HydrophobicContact CG1-CD1 4.04Å; V139-F143 HydrophobicContact CG1-CD2 4.24Å; V139-F143 HydrophobicContact CG1-CE1 3.73Å; V139-F143 HydrophobicContact CG1-CE2 3.93Å; V139-F143 HydrophobicContact CG1-CG 4.3Å; V139-F143 HydrophobicContact CG1-CZ 3.66Å; V139-F143 PolarHBondContact O-N 3.02Å; A140-F143 PolarHBondContact O-N 2.98Å; F143-M145 PolarHBondContact O-N 3.5Å; F143-A146 CarbonylContact O-C 3.52Å; F143-A146 PolarHBondContact O-N 3.48Å; F143-D147 PolarHBondContact O-N 2.89Å; F143-D147 VanDerWaalsContact O-N 3.15Å; F143-V148 HydrophobicContact CB-CB 4.13Å; F143-V148 HydrophobicContact CD2-CG1 4.41Å; F143-V148 HydrophobicContact CG-CB 4.44Å; F143-V148 PolarHBondContact O-N 2.94Å; F143-T150 HydrophobicContact CB-CG2 4.42Å; F143-T150 HydrophobicContact CD2-CG2 3.58Å; F143-T150 HydrophobicContact CE2-CG2 4.36Å; F143-V177 HydrophobicContact CE2-CG2 4.17Å; F143-V177 HydrophobicContact CZ-CG1 4.45Å; F143-V177 HydrophobicContact CZ-CG2 4.19Å; F143-A241 HydrophobicContact CE1-CB 4.06Å; F143-V244 HydrophobicContact CE1-CB 4.06Å; F143-V244 HydrophobicContact CE1-CG1 4.02Å; F143-V244 HydrophobicContact CZ-CB 4.05Å; F143-V244 HydrophobicContact CZ-CG1 3.7Å; F143-V244 HydrophobicContact CZ-CG2 4.45Å; F143-V245 HydrophobicContact CD1-CG1 3.47Å; F143-V245 VanDerWaalsContact CD1-CG1 3.47Å; F143-V245 HydrophobicContact CE1-CG1 3.81Å; F143-V245 HydrophobicContact CG-CG1 4.43Å
144K97.6Very high96.6Very high165 Ų16557 Ų5772%0.71728%0.283SS*.Hα-helixtrans-62.4-40.5174-176177.7-178.7177.50112.5A140 P141 L142 A146 D147A140-K144 VanDerWaalsContact O-CB 3.25Å; A140-K144 WeakPolarHBondContact O-CB 3.46Å; A140-K144 PolarHBondContact O-N 3.05Å; P141-K144 PolarHBondContact O-N 2.88Å; L142-K144 VanDerWaalsContact C-N 3.3Å; L142-K144 PolarHBondContact O-N 2.84Å; K144-A146 VanDerWaalsContact C-N 3.34Å; K144-D147 PolarHBondContact O-N 2.77Å
145M96.1Very high96.7Very high53 Ų5356.8 Ų56.826%0.26128%0.283SS..Hα-helixtrans-62.1-44.3177.8-171.265.97700111.1F49 A50 K52 F73 P141 L142 F143 D147F49-M145 HydrophobicContact CE2-CB 4.35Å; F49-M145 HydrophobicContact CE2-CG 3.98Å; A50-M145 HydrophobicContact CB-CG 3.88Å; A50-M145 VanDerWaalsContact CB-O 3.24Å; A50-M145 WeakPolarHBondContact CB-O 3.18Å; K52-M145 VanDerWaalsContact CE-O 3.25Å; K52-M145 WeakPolarHBondContact CE-O 3.44Å; K52-M145 HydrophobicContact CG-SD 4.3Å; K52-M145 PolarHBondContact NZ-O 2.9Å; F73-M145 HydrophobicContact CD1-CE 4.23Å; F73-M145 HydrophobicContact CD1-CG 4.37Å; F73-M145 HydrophobicContact CD1-SD 4.3Å; F73-M145 HydrophobicContact CD2-CG 4.23Å; F73-M145 HydrophobicContact CD2-SD 3.97Å; F73-M145 HydrophobicContact CE1-CE 3.77Å; F73-M145 HydrophobicContact CE1-SD 4.07Å; F73-M145 HydrophobicContact CE2-CE 4.46Å; F73-M145 HydrophobicContact CE2-SD 3.73Å; F73-M145 HydrophobicContact CG-CG 4.13Å; F73-M145 HydrophobicContact CG-SD 4.26Å; F73-M145 HydrophobicContact CZ-CE 3.91Å; F73-M145 HydrophobicContact CZ-SD 3.77Å; P141-M145 WeakPolarHBondContact O-CB 3.44Å; P141-M145 PolarHBondContact O-N 3.45Å; L142-M145 WeakPolarHBondContact O-CB 3.32Å; L142-M145 PolarHBondContact O-N 3.39Å; L142-M145 VanDerWaalsContact O-N 3.11Å; F143-M145 PolarHBondContact O-N 3.5Å; M145-D147 PolarHBondContact O-N 2.66Å
146A96.6Very high96.4Very high17 Ų1761.3 Ų61.314%0.1431%0.308CS..THydrogen-bonded Turntrans-74.70.4177.500000114.4F49 L142 F143 K144 V148 V245F49-A146 HydrophobicContact CD2-CB 4.17Å; L142-A146 WeakPolarHBondContact O-CB 3.32Å; L142-A146 PolarHBondContact O-N 3.3Å; F143-A146 CarbonylContact O-C 3.52Å; F143-A146 PolarHBondContact O-N 3.48Å; K144-A146 VanDerWaalsContact C-N 3.34Å; A146-V148 HydrophobicContact CB-CG2 3.93Å; A146-V148 PolarHBondContact O-N 3.46Å; A146-V245 HydrophobicContact CB-CB 3.8Å; A146-V245 HydrophobicContact CB-CG1 3.79Å; A146-V245 HydrophobicContact CB-CG2 4.49Å
147D96.1Very high96.1Very high73 Ų7362 Ų6239%0.3931%0.31SS..THydrogen-bonded Turntrans59.830.7-175.5-56-46.4000113.5K52 K105 F143 K144 M145K52-D147 VanDerWaalsContact NZ-CG 3.25Å; K52-D147 IonicContact NZ-OD1 3.6Å; K52-D147 PolarHBondContact NZ-OD1 2.88Å; K52-D147 IonicContact NZ-OD2 3.48Å; K52-D147 PolarHBondContact NZ-OD2 2.99Å; K52-D147 VanDerWaalsContact NZ-OD2 3.11Å; K105-D147 IonicContact NZ-OD2 2.66Å; K105-D147 PolarHBondContact NZ-OD2 3.24Å; F143-D147 PolarHBondContact O-N 2.89Å; F143-D147 VanDerWaalsContact O-N 3.15Å; K144-D147 PolarHBondContact O-N 2.77Å; M145-D147 PolarHBondContact O-N 2.66Å
148V98.1Very high95.7Very high10 Ų1065.7 Ų65.76%0.06132%0.323CS..  trans-85.1119.6172.9-176.40000109.5P115 V118 F143 A146 V245P115-V148 WeakPolarHBondContact O-CG2 3.29Å; V118-V148 HydrophobicContact CG1-CG1 4.2Å; V118-V148 HydrophobicContact CG2-CG1 4Å; F143-V148 HydrophobicContact CB-CB 4.13Å; F143-V148 HydrophobicContact CD2-CG1 4.41Å; F143-V148 HydrophobicContact CG-CB 4.44Å; F143-V148 PolarHBondContact O-N 2.94Å; A146-V148 HydrophobicContact CB-CG2 3.93Å; A146-V148 PolarHBondContact O-N 3.46Å; V148-V245 HydrophobicContact CG2-CG1 4.15Å
149R98.3Very high95.6Very high164 Ų16462.7 Ų62.762%0.61932%0.317SS*.EExtended strand (participates in β ladder)trans-77148.6174-65.7-171.8-64.1160.42.3110.3R116 Y117 V118R116-R149 PolarHBondContact O-N 3.45Å; Y117-R149 WeakPolarHBondContact CA-O 3.22Å; Y117-R149 HydrophobicContact CD2-CB 3.52Å; Y117-R149 WeakPolarHBondContact CD2-O 3.39Å; Y117-R149 HydrophobicContact CE2-CB 4.15Å; Y117-R149 HydrophobicContact CG-CB 4.28Å; V118-R149 PolarHBondContact N-O 3.29Å
150T98.5Very high95.4Very high52 Ų5264.3 Ų64.332%0.31933%0.325SS..EExtended strand (participates in β ladder)trans-129.3135.6-179.957.20000111.3V118 V120 Y135 F143V118-T150 HydrophobicContact CG2-CG2 3.94Å; V118-T150 WeakPolarHBondContact O-CA 3.33Å; V120-T150 HydrophobicContact CG2-CG2 3.95Å; Y135-T150 WeakPolarHBondContact OH-CB 3.4Å; Y135-T150 WeakPolarHBondContact OH-CG2 3.1Å; Y135-T150 PolarHBondContact OH-OG1 2.89Å; F143-T150 HydrophobicContact CB-CG2 4.42Å; F143-T150 HydrophobicContact CD2-CG2 3.58Å; F143-T150 HydrophobicContact CE2-CG2 4.36Å
151D98Very high95.2Very high42 Ų4263.2 Ų63.223%0.22532%0.316CS..EExtended strand (participates in β ladder)trans-106.7120161.2174.7-8.2000107.6Y117 V118 K119 V120 Y173Y117-D151 HydrophobicContact CE2-CB 3.98Å; V118-D151 PolarHBondContact O-N 3.49Å; K119-D151 CarbonylContact C-O 3.53Å; K119-D151 HydrophobicContact CD-CB 3.9Å; K119-D151 IonicContact NZ-OD1 3.54Å; K119-D151 PolarHBondContact NZ-OD1 3.48Å; K119-D151 IonicContact NZ-OD2 2.85Å; K119-D151 PolarHBondContact NZ-OD2 3.18Å; V120-D151 PolarHBondContact N-O 3.22Å; D151-Y173 HydrophobicContact CB-CE1 3.87Å; D151-Y173 PolarHBondContact OD2-OH 3.36Å
152I97.5Very high95Very high78 Ų7861.9 Ų61.940%0.431%0.305SS..EExtended strand (participates in β ladder)trans-104.8128.5-171.8-58.4166.1000110V120 I122 Y135 V154V120-I152 HydrophobicContact CB-CG1 4.3Å; V120-I152 CarbonylContact O-C 3.56Å; V120-I152 WeakPolarHBondContact O-CA 3.46Å; I122-I152 HydrophobicContact CD1-CG2 3.64Å; I122-I152 HydrophobicContact CG1-CG2 4.17Å; Y135-I152 HydrophobicContact CE1-CD1 3.48Å; Y135-I152 VanDerWaalsContact CE1-CD1 3.48Å; Y135-I152 HydrophobicContact CE1-CG1 4.18Å; I152-V154 HydrophobicContact CG2-CG2 4.31Å
153T96.9Very high94.9Very high21 Ų2163.2 Ų63.213%0.12932%0.315CS..EExtended strand (participates in β ladder)trans-118.8115.9169.6-62.10000109.5K119 V120 F121 I122 V164K119-T153 WeakPolarHBondContact CE-OG1 3.44Å; K119-T153 PolarHBondContact NZ-OG1 2.93Å; V120-T153 PolarHBondContact O-N 2.86Å; F121-T153 CarbonylContact C-O 3.58Å; F121-T153 WeakPolarHBondContact CA-O 3.3Å; F121-T153 HydrophobicContact CD1-CG2 4.01Å; F121-T153 HydrophobicContact CE1-CG2 3.91Å; I122-T153 PolarHBondContact N-O 2.9Å; T153-V164 HydrophobicContact CG2-CG1 4.42Å; T153-V164 HydrophobicContact CG2-CG2 4.17Å
154V95.4Very high94.7Very high77 Ų7764.5 Ų64.547%0.46732%0.323SS..EExtended strand (participates in β ladder)trans-88.6120.8173.2-1770000108I122 P124 I152I122-V154 CarbonylContact O-C 3.6Å; I122-V154 WeakPolarHBondContact O-CA 3.48Å; P124-V154 HydrophobicContact CB-CG1 4.13Å; P124-V154 HydrophobicContact CG-CG1 3.71Å; I152-V154 HydrophobicContact CG2-CG2 4.31Å
155T93.6Very high94.5Very high15 Ų1556.6 Ų56.69%0.09229%0.289CS..  trans-80.4149.2-179.863.30000110.9F121 I122 N123 P124 A161F121-T155 HydrophobicContact CD1-CG2 4.07Å; I122-T155 PolarHBondContact O-N 2.86Å; I122-T155 PolarHBondContact O-OG1 2.79Å; N123-T155 WeakPolarHBondContact CA-OG1 3.31Å; P124-T155 WeakPolarHBondContact CD-O 3.35Å; P124-T155 VanDerWaalsContact CG-O 3.32Å; P124-T155 WeakPolarHBondContact CG-O 3.42Å; T155-A161 HydrophobicContact CG2-CB 4.08Å
156D88.8Confident94.3Very high107 Ų10759.1 Ų59.157%0.57230%0.298SS*.  trans-120.1-22.4-174.764.5-7000112.9H160D156-H160 PolarHBondContact N-ND1 3.5Å; D156-H160 IonicContact OD1-CE1 4Å; D156-H160 IonicContact OD1-CG 3.56Å; D156-H160 IonicContact OD1-ND1 3.62Å; D156-H160 PolarHBondContact OD1-ND1 3.37Å
157R89.3Confident94Very high153 Ų15366.1 Ų66.158%0.57733%0.328SS*.SBendtrans-150.6162.7-179.268.1-163.6177.2-94.94.3111.5G159 H160R157-G159 PolarHBondContact O-N 2.94Å; R157-H160 HydrophobicContact CG-CB 4.05Å; R157-H160 VanDerWaalsContact O-CB 3.28Å; R157-H160 WeakPolarHBondContact O-CB 3.31Å; R157-H160 PolarHBondContact O-N 2.91Å
158K87.1Confident93.7Very high156 Ų15663.4 Ų63.468%0.67831%0.314SS*.THydrogen-bonded Turntrans-57.4134.7171-176-178.3179.2-174.70109.8H160 E463K158-H160 VanDerWaalsContact C-N 3.28Å; K158-H160 PolarHBondContact O-N 2.77Å; K158-E463 WeakPolarHBondContact CE-OE1 3.45Å; K158-E463 IonicContact NZ-OE1 2.7Å; K158-E463 PolarHBondContact NZ-OE1 3.25Å
159G90.9Very high93.4Very high29 Ų2969.3 Ų69.330%0.29934%0.339SS..THydrogen-bonded Turntrans83.5-4.8-179.400000114.5R157 L162 S163 E187R157-G159 PolarHBondContact O-N 2.94Å; G159-L162 PolarHBondContact O-N 2.82Å; G159-S163 PolarHBondContact O-N 2.84Å; G159-S163 PolarHBondContact O-OG 2.98Å; G159-E187 WeakPolarHBondContact CA-OE1 3.25Å; G159-E187 PolarHBondContact N-OE1 2.87Å; G159-E187 PolarHBondContact N-OE2 2.73Å
160H94.2Very high93.1Very high35 Ų3562.3 Ų62.316%0.16231%0.314CS..Hα-helixtrans-67.2-41.5177.1-175-174.3000111.3D156 R157 K158 L162 S163 V164 E187D156-H160 PolarHBondContact N-ND1 3.5Å; D156-H160 IonicContact OD1-CE1 4Å; D156-H160 IonicContact OD1-CG 3.56Å; D156-H160 IonicContact OD1-ND1 3.62Å; D156-H160 PolarHBondContact OD1-ND1 3.37Å; R157-H160 HydrophobicContact CG-CB 4.05Å; R157-H160 VanDerWaalsContact O-CB 3.28Å; R157-H160 WeakPolarHBondContact O-CB 3.31Å; R157-H160 PolarHBondContact O-N 2.91Å; K158-H160 VanDerWaalsContact C-N 3.28Å; K158-H160 PolarHBondContact O-N 2.77Å; H160-L162 VanDerWaalsContact C-N 3.28Å; H160-L162 PolarHBondContact O-N 3.09Å; H160-S163 WeakPolarHBondContact CA-OG 3.31Å; H160-S163 PolarHBondContact O-N 3.16Å; H160-S163 VanDerWaalsContact O-N 3.14Å; H160-S163 PolarHBondContact O-OG 3.07Å; H160-V164 WeakPolarHBondContact O-CG2 3.48Å; H160-V164 PolarHBondContact O-N 3.13Å; H160-E187 PolarHBondContact N-OE1 2.78Å
161A93.3Very high92.8Very high5 Ų566.6 Ų66.64%0.04134%0.335CS..Hα-helixtrans-61-43.3177.800000110.3F121 T155 S163 V164 M165 E187 L188F121-A161 HydrophobicContact CD1-CB 3.91Å; F121-A161 HydrophobicContact CE1-CB 4.14Å; T155-A161 HydrophobicContact CG2-CB 4.08Å; A161-S163 PolarHBondContact O-N 2.8Å; A161-V164 PolarHBondContact O-N 2.79Å; A161-M165 WeakPolarHBondContact O-CB 3.19Å; A161-M165 VanDerWaalsContact O-CG 3.23Å; A161-M165 WeakPolarHBondContact O-CG 3.35Å; A161-M165 PolarHBondContact O-N 3.27Å; A161-E187 HydrophobicContact CB-CG 4.39Å; A161-E187 WeakPolarHBondContact CB-OE1 3.47Å; A161-E187 PolarHBondContact N-OE1 3.04Å; A161-L188 HydrophobicContact CB-CD2 3.94Å; A161-L188 HydrophobicContact CB-CG 4.04Å
162L93Very high92.7Very high34 Ų3469.2 Ų69.218%0.17835%0.346CS..Hα-helixtrans-58.1-46.2173.7177.362.5000112.6G159 H160 V164 M165 K166 E187 A191 L194G159-L162 PolarHBondContact O-N 2.82Å; H160-L162 VanDerWaalsContact C-N 3.28Å; H160-L162 PolarHBondContact O-N 3.09Å; L162-V164 PolarHBondContact O-N 3.15Å; L162-M165 PolarHBondContact O-N 2.98Å; L162-K166 WeakPolarHBondContact O-CG 3.36Å; L162-K166 PolarHBondContact O-N 3.35Å; L162-E187 HydrophobicContact CB-CG 4.39Å; L162-E187 PolarHBondContact N-OE1 2.82Å; L162-E187 VanDerWaalsContact N-OE1 3.12Å; L162-A191 HydrophobicContact CB-CB 4.3Å; L162-A191 HydrophobicContact CD1-CB 3.45Å; L162-A191 VanDerWaalsContact CD1-CB 3.45Å; L162-A191 HydrophobicContact CG-CB 4.49Å; L162-L194 HydrophobicContact CD1-CD2 4.23Å
163S94.4Very high92.7Very high40 Ų4066.3 Ų66.328%0.2833%0.33SS..Hα-helixtrans-61.6-44.5179.461.20000112.5G159 H160 A161 M165 K166 E167G159-S163 PolarHBondContact O-N 2.84Å; G159-S163 PolarHBondContact O-OG 2.98Å; H160-S163 WeakPolarHBondContact CA-OG 3.31Å; H160-S163 PolarHBondContact O-N 3.16Å; H160-S163 VanDerWaalsContact O-N 3.14Å; H160-S163 PolarHBondContact O-OG 3.07Å; A161-S163 PolarHBondContact O-N 2.8Å; S163-M165 VanDerWaalsContact C-N 3.35Å; S163-M165 PolarHBondContact O-N 3.1Å; S163-K166 PolarHBondContact O-N 3.13Å; S163-E167 PolarHBondContact O-N 2.79Å
164V95.1Very high92.8Very high28 Ų2868.9 Ų68.917%0.1734%0.343CS..Hα-helixtrans-64.2-42.9176.7173.90000110.3F121 T153 H160 A161 L162 K166 E167 C168F121-V164 HydrophobicContact CE1-CB 3.87Å; F121-V164 HydrophobicContact CE1-CG1 3.78Å; F121-V164 HydrophobicContact CZ-CB 4.15Å; F121-V164 HydrophobicContact CZ-CG1 3.76Å; T153-V164 HydrophobicContact CG2-CG1 4.42Å; T153-V164 HydrophobicContact CG2-CG2 4.17Å; H160-V164 WeakPolarHBondContact O-CG2 3.48Å; H160-V164 PolarHBondContact O-N 3.13Å; A161-V164 PolarHBondContact O-N 2.79Å; L162-V164 PolarHBondContact O-N 3.15Å; V164-K166 PolarHBondContact O-N 3.19Å; V164-E167 PolarHBondContact O-N 2.82Å; V164-E167 VanDerWaalsContact O-N 3.13Å; V164-C168 WeakPolarHBondContact O-CB 3.09Å; V164-C168 PolarHBondContact O-N 2.98Å
165M94.2Very high92.9Very high0 Ų065.2 Ų65.20%032%0.32CS..Hα-helixtrans-63-25.9178.1-75.1-59.3-62.400113.6F121 A161 L162 S163 L170 V176 L188 A191 L192 R195F121-M165 HydrophobicContact CE2-CG 4.14Å; F121-M165 HydrophobicContact CE2-SD 3.55Å; F121-M165 VanDerWaalsContact CE2-SD 3.55Å; F121-M165 HydrophobicContact CZ-CG 3.84Å; F121-M165 HydrophobicContact CZ-SD 3.67Å; A161-M165 WeakPolarHBondContact O-CB 3.19Å; A161-M165 VanDerWaalsContact O-CG 3.23Å; A161-M165 WeakPolarHBondContact O-CG 3.35Å; A161-M165 PolarHBondContact O-N 3.27Å; L162-M165 PolarHBondContact O-N 2.98Å; S163-M165 VanDerWaalsContact C-N 3.35Å; S163-M165 PolarHBondContact O-N 3.1Å; M165-L170 HydrophobicContact CE-CD1 3.96Å; M165-L170 HydrophobicContact CE-CD2 3.57Å; M165-L170 HydrophobicContact CE-CG 4.43Å; M165-L170 HydrophobicContact SD-CD2 4.17Å; M165-V176 HydrophobicContact CE-CG2 4.19Å; M165-V176 HydrophobicContact SD-CG2 4.41Å; M165-L188 HydrophobicContact CG-CD2 3.77Å; M165-L188 HydrophobicContact SD-CD2 4.3Å; M165-A191 HydrophobicContact CB-CB 3.97Å; M165-A191 HydrophobicContact CG-CB 4.11Å; M165-L192 HydrophobicContact CE-CD2 3.39Å; M165-L192 HydrophobicContact CE-CG 3.93Å; M165-R195 PolarHBondContact O-NH1 2.85Å
166K90.8Very high93.1Very high105 Ų10564.5 Ų64.546%0.45732%0.316SS..Hα-helixtrans-74.7-30.4174.1-74.8-179.7177.6-174.10113.4L162 S163 V164 R195L162-K166 WeakPolarHBondContact O-CG 3.36Å; L162-K166 PolarHBondContact O-N 3.35Å; S163-K166 PolarHBondContact O-N 3.13Å; V164-K166 PolarHBondContact O-N 3.19Å; K166-R195 VanDerWaalsContact C-NH1 3.32Å; K166-R195 PolarHBondContact O-NH1 2.82Å
167E89.7Confident93.6Very high165 Ų16559.4 Ų59.477%0.77129%0.289SS*.Hα-helixtrans-97.8-20.5-176.7-64.9175.1-170.100112.6S163 V164S163-E167 PolarHBondContact O-N 2.79Å; V164-E167 PolarHBondContact O-N 2.82Å; V164-E167 VanDerWaalsContact O-N 3.13Å
168C90.9Very high93.9Very high15 Ų1552.2 Ų52.210%0.10126%0.262CS..SBendtrans-65141.3-176.5-165.80000112.2V164 L170 Y173 R195V164-C168 WeakPolarHBondContact O-CB 3.09Å; V164-C168 PolarHBondContact O-N 2.98Å; C168-L170 HydrophobicContact CB-CD2 3.98Å; C168-L170 PolarHBondContact O-N 2.8Å; C168-Y173 WeakPolarHBondContact SG-CE2 3.48Å; C168-R195 PolarHBondContact O-NH1 3.24Å; C168-R195 PolarHBondContact O-NH2 2.74Å
169K92.3Very high94.3Very high134 Ų13444.8 Ų44.858%0.58323%0.23SC*.  trans-82.193.7168-68.8-176.7-178.8-178.80109.3D171 E172 Y173K169-D171 VanDerWaalsContact C-N 3.26Å; K169-D171 WeakPolarHBondContact CB-OD1 3.49Å; K169-D171 PolarHBondContact O-N 2.91Å; K169-E172 HydrophobicContact CB-CG 4.13Å; K169-E172 WeakPolarHBondContact CD-OE1 3.37Å; K169-E172 PolarHBondContact O-N 3.14Å; K169-Y173 WeakPolarHBondContact O-CD2 3.22Å; K169-Y173 VanDerWaalsContact O-CE2 3.27Å; K169-Y173 WeakPolarHBondContact O-CE2 3.4Å
170L91.8Very high94.3Very high18 Ų1843.4 Ų43.49%0.09422%0.216CC..G310 helixtrans-69.8-23.9-172.4-63.7-172.4000113.2M165 C168 E172 Y173 R195 L211M165-L170 HydrophobicContact CE-CD1 3.96Å; M165-L170 HydrophobicContact CE-CD2 3.57Å; M165-L170 HydrophobicContact CE-CG 4.43Å; M165-L170 HydrophobicContact SD-CD2 4.17Å; C168-L170 HydrophobicContact CB-CD2 3.98Å; C168-L170 PolarHBondContact O-N 2.8Å; L170-E172 PolarHBondContact O-N 3.39Å; L170-Y173 PolarHBondContact O-N 3.29Å; L170-Y173 VanDerWaalsContact O-N 3.14Å; L170-R195 HydrophobicContact CD1-CG 3.66Å; L170-L211 HydrophobicContact CB-CD1 3.97Å; L170-L211 HydrophobicContact CD2-CD1 4.26Å
171D92.8Very high93.9Very high142 Ų14242 Ų4276%0.75921%0.21SC*.G310 helixtrans-63.7-16.217759.9-47000114.1K169 Y173K169-D171 VanDerWaalsContact C-N 3.26Å; K169-D171 WeakPolarHBondContact CB-OD1 3.49Å; K169-D171 PolarHBondContact O-N 2.91Å; D171-Y173 VanDerWaalsContact C-N 3.35Å
172E95.3Very high93.5Very high97 Ų9742.6 Ų42.645%0.45321%0.213SC..G310 helixtrans-78.3-17.9175.4-63.3-178.5176.900113.3Y117 K169 L170Y117-E172 VanDerWaalsContact CD1-O 3.28Å; Y117-E172 WeakPolarHBondContact CD1-O 3.28Å; K169-E172 HydrophobicContact CB-CG 4.13Å; K169-E172 WeakPolarHBondContact CD-OE1 3.37Å; K169-E172 PolarHBondContact O-N 3.14Å; L170-E172 PolarHBondContact O-N 3.39Å
173Y97.6Very high93.2Very high17 Ų1743.2 Ų43.27%0.06723%0.227CC..  trans-113.3149.2-171.6-53.3-83.2000112.1Y117 K119 D151 C168 K169 L170 D171 L211Y117-Y173 AromaticContact CD1-CD1 3.84Å; Y117-Y173 HydrophobicContact CD1-CD1 3.84Å; Y117-Y173 HydrophobicContact CD1-CE1 4.06Å; Y117-Y173 HydrophobicContact CD2-CD1 4.44Å; Y117-Y173 AromaticContact CE1-CD1 3.82Å; Y117-Y173 HydrophobicContact CE1-CD1 3.82Å; Y117-Y173 AromaticContact CE1-CE1 3.53Å; Y117-Y173 HydrophobicContact CE1-CE1 3.53Å; Y117-Y173 HydrophobicContact CE2-CD1 4.43Å; Y117-Y173 HydrophobicContact CE2-CE1 4.11Å; Y117-Y173 HydrophobicContact CG-CD1 4.17Å; Y117-Y173 AromaticContact CZ-CE1 3.57Å; K119-Y173 HydrophobicContact CB-CD1 3.86Å; K119-Y173 HydrophobicContact CB-CD2 4.42Å; K119-Y173 HydrophobicContact CB-CE1 3.95Å; K119-Y173 HydrophobicContact CB-CG 4.1Å; K119-Y173 HydrophobicContact CD-CE1 4.12Å; D151-Y173 HydrophobicContact CB-CE1 3.87Å; D151-Y173 PolarHBondContact OD2-OH 3.36Å; C168-Y173 WeakPolarHBondContact SG-CE2 3.48Å; K169-Y173 WeakPolarHBondContact O-CD2 3.22Å; K169-Y173 VanDerWaalsContact O-CE2 3.27Å; K169-Y173 WeakPolarHBondContact O-CE2 3.4Å; L170-Y173 PolarHBondContact O-N 3.29Å; L170-Y173 VanDerWaalsContact O-N 3.14Å; D171-Y173 VanDerWaalsContact C-N 3.35Å; Y173-L211 WeakPolarHBondContact O-CD2 3.19Å
174D97.9Very high93Very high74 Ų7442 Ų4240%0.39622%0.219SC..SBendtrans-89.3-11173.4-54-56.9000112.3P115 R116 Y117 P212 Y483P115-D174 HydrophobicContact CB-CB 3.77Å; R116-D174 WeakPolarHBondContact CA-OD2 3.19Å; R116-D174 WeakPolarHBondContact CB-OD2 3.38Å; R116-D174 PolarHBondContact N-OD2 2.79Å; Y117-D174 PolarHBondContact N-OD2 3.48Å; Y117-D174 PolarHBondContact O-N 2.85Å; D174-P212 WeakPolarHBondContact O-CD 3.45Å; D174-Y483 PolarHBondContact O-OH 3.44Å
175G97.9Very high92.9Very high0 Ų040.9 Ų40.90%021%0.212CC..EExtended strand (participates in β ladder)trans-179.5164-177.700000113.6V118 K119V118-G175 VanDerWaalsContact CA-O 3.26Å; V118-G175 WeakPolarHBondContact CA-O 3.46Å; V118-G175 WeakPolarHBondContact CB-O 3.48Å; K119-G175 PolarHBondContact N-O 3.49Å
176V98.5Very high92.8Very high0 Ų041 Ų410%021%0.213CC..EExtended strand (participates in β ladder)trans-111.7145.5174.1-178.20000108.9K119 F121 M165 L188 L192 L211 P212 L213 G214K119-V176 CarbonylContact O-C 3.52Å; K119-V176 WeakPolarHBondContact O-CA 3.42Å; F121-V176 HydrophobicContact CD2-CG1 3.79Å; F121-V176 HydrophobicContact CE2-CG1 3.89Å; M165-V176 HydrophobicContact CE-CG2 4.19Å; M165-V176 HydrophobicContact SD-CG2 4.41Å; V176-L188 HydrophobicContact CG1-CD2 4.41Å; V176-L192 HydrophobicContact CG2-CD2 4.12Å; V176-L211 HydrophobicContact CG2-CB 4.47Å; V176-L211 HydrophobicContact CG2-CD1 4.01Å; V176-P212 PolarHBondContact N-O 2.96Å; V176-L213 HydrophobicContact CB-CD1 4Å; V176-L213 HydrophobicContact CG1-CD1 3.81Å; V176-L213 CarbonylContact O-C 3.51Å; V176-L213 WeakPolarHBondContact O-CA 3.26Å; V176-G214 PolarHBondContact O-N 3.34Å
177V98.4Very high93Very high0 Ų037.5 Ų37.50%020%0.198CC..EExtended strand (participates in β ladder)trans-128.7125.9176.6178.70000109.7V118 K119 V120 F121 F143 G214 I216 V244V118-V177 HydrophobicContact CB-CG2 4.18Å; V118-V177 HydrophobicContact CG2-CG2 4.13Å; K119-V177 PolarHBondContact O-N 2.91Å; V120-V177 CarbonylContact C-O 3.46Å; V120-V177 WeakPolarHBondContact CA-O 3.47Å; V120-V177 HydrophobicContact CG1-CB 4.47Å; V120-V177 HydrophobicContact CG1-CG1 4.48Å; V120-V177 HydrophobicContact CG2-CB 4.28Å; F121-V177 PolarHBondContact N-O 3.27Å; F143-V177 HydrophobicContact CE2-CG2 4.17Å; F143-V177 HydrophobicContact CZ-CG1 4.45Å; F143-V177 HydrophobicContact CZ-CG2 4.19Å; V177-G214 CarbonylContact C-O 3.46Å; V177-G214 WeakPolarHBondContact CA-O 3.35Å; V177-I216 HydrophobicContact CG1-CD1 4.4Å; V177-I216 HydrophobicContact CG1-CG1 3.72Å; V177-V244 HydrophobicContact CG2-CG1 4.18Å; V177-V244 HydrophobicContact CG2-CG2 4.5Å
178C96.8Very high93.3Very high2 Ų229.7 Ų29.71%0.01416%0.162CC..EExtended strand (participates in β ladder)trans-100.6125173.5178.50000110.3L188 L213 G214 I216C178-L188 HydrophobicContact CB-CD1 3.5Å; C178-L188 VanDerWaalsContact CB-CD1 3.5Å; C178-L213 HydrophobicContact CB-CD1 4.22Å; C178-G214 PolarHBondContact N-O 3.45Å; C178-I216 PolarHBondContact O-N 2.87Å
179V95.4Very high93.6Very high0 Ų029 Ų290%016%0.157CC..EExtended strand (participates in β ladder)trans-109.3101.4168.4-168.30000108.6V120 F121 I122 N123 A131 Y135 I216 A218V120-V179 HydrophobicContact CG1-CG2 3.99Å; F121-V179 PolarHBondContact O-N 3.47Å; I122-V179 HydrophobicContact CG1-CB 4.21Å; I122-V179 HydrophobicContact CG1-CG2 4.17Å; I122-V179 HydrophobicContact CG2-CB 4.4Å; N123-V179 PolarHBondContact N-O 2.61Å; N123-V179 VanDerWaalsContact N-O 3.13Å; A131-V179 HydrophobicContact CB-CG1 4.24Å; A131-V179 WeakPolarHBondContact O-CG1 3.31Å; Y135-V179 HydrophobicContact CD2-CG2 3.88Å; Y135-V179 HydrophobicContact CG-CG2 4.46Å; V179-I216 HydrophobicContact CB-CB 4.39Å; V179-I216 HydrophobicContact CG1-CB 4.25Å; V179-I216 HydrophobicContact CG1-CG2 4.18Å; V179-I216 HydrophobicContact CG2-CB 4.06Å; V179-I216 HydrophobicContact CG2-CG1 4.17Å; V179-A218 HydrophobicContact CG1-CB 4.43Å
180G89.9Confident93.8Very high1 Ų123.9 Ų23.91%0.0114%0.135CC..EExtended strand (participates in β ladder)trans178.5-169.3-172.400000113.2I216 A218G180-I216 PolarHBondContact N-O 2.65Å; G180-A218 PolarHBondContact O-N 2.83Å; G180-A218 VanDerWaalsContact O-N 3.13Å
181G86.3Confident94Very high4 Ų423.1 Ų23.14%0.04113%0.131CC..  trans-100.3-172.9171.300000113.1H127 G183 S184 V185H127-G181 WeakPolarHBondContact NE2-CA 3.43Å; G181-G183 VanDerWaalsContact C-N 3.3Å; G181-G183 PolarHBondContact O-N 3.06Å; G181-G183 VanDerWaalsContact O-N 3.13Å; G181-S184 PolarHBondContact O-N 2.99Å; G181-V185 PolarHBondContact O-N 3.14Å; G181-V185 VanDerWaalsContact O-N 3.15Å
182D84.8Confident94.2Very high19 Ų1916.5 Ų16.510%0.10210%0.096CC..Hα-helixtrans-44.7-48.1-176.3-73.9-38.3000113.9S184 V185 A186 T224 D225 V226D182-S184 PolarHBondContact O-N 3.19Å; D182-V185 PolarHBondContact O-N 3.04Å; D182-A186 WeakPolarHBondContact O-CB 3.39Å; D182-A186 PolarHBondContact O-N 3.19Å; D182-T224 PolarHBondContact OD2-OG1 2.79Å; D182-D225 WeakPolarHBondContact OD1-CA 3.12Å; D182-D225 WeakPolarHBondContact OD2-CA 3.45Å; D182-D225 PolarHBondContact OD2-N 2.96Å; D182-V226 PolarHBondContact OD1-N 3.35Å
183G86.8Confident94.3Very high46 Ų4611.9 Ų11.947%0.4747%0.074SC..Hα-helixtrans-64.1-34.9-178.100000114.4G181 E187G181-G183 VanDerWaalsContact C-N 3.3Å; G181-G183 PolarHBondContact O-N 3.06Å; G181-G183 VanDerWaalsContact O-N 3.13Å; G183-E187 WeakPolarHBondContact O-CB 3.41Å; G183-E187 PolarHBondContact O-N 3.4Å
184S90.9Very high94.1Very high16 Ų1612.5 Ų12.511%0.1128%0.079CC..Hα-helixtrans-75.1-37.2177.3-57.10000111.6N123 G181 D182 E187 L188N123-S184 PolarHBondContact ND2-OG 3.3Å; G181-S184 PolarHBondContact O-N 2.99Å; D182-S184 PolarHBondContact O-N 3.19Å; S184-E187 PolarHBondContact O-N 2.99Å; S184-L188 PolarHBondContact O-N 3.34Å; S184-L188 VanDerWaalsContact O-N 3.09Å
185V92.8Very high94Very high4 Ų410.8 Ų10.82%0.0247%0.067CC..Hα-helixtrans-62.9-49.3173174.60000110.1G181 D182 E187 L188 C189 I215 V227G181-V185 PolarHBondContact O-N 3.14Å; G181-V185 VanDerWaalsContact O-N 3.15Å; D182-V185 PolarHBondContact O-N 3.04Å; V185-E187 VanDerWaalsContact C-N 3.31Å; V185-E187 PolarHBondContact O-N 3.39Å; V185-L188 PolarHBondContact O-N 3.41Å; V185-L188 VanDerWaalsContact O-N 3.16Å; V185-C189 PolarHBondContact O-N 3.06Å; V185-C189 PolarHBondContact O-SG 2.92Å; V185-I215 HydrophobicContact CG1-CD1 3.59Å; V185-I215 HydrophobicContact CG1-CG1 3.91Å; V185-I215 HydrophobicContact CG1-CG2 4.5Å; V185-I215 HydrophobicContact CG2-CB 4.47Å; V185-I215 HydrophobicContact CG2-CG1 4.21Å; V185-I215 HydrophobicContact CG2-CG2 3.55Å; V185-V227 HydrophobicContact CG1-CB 4.08Å; V185-V227 HydrophobicContact CG1-CG1 4.08Å; V185-V227 HydrophobicContact CG1-CG2 4.31Å
186A92.3Very high93.9Very high2 Ų211.3 Ų11.32%0.0177%0.071CC..Hα-helixtrans-60.9-38.1179.500000112.4D182 H190 D461D182-A186 WeakPolarHBondContact O-CB 3.39Å; D182-A186 PolarHBondContact O-N 3.19Å; A186-H190 WeakPolarHBondContact O-CB 3.33Å; A186-H190 PolarHBondContact O-N 2.98Å; A186-D461 HydrophobicContact CB-CB 3.75Å
187E94.3Very high93.6Very high32 Ų3211.8 Ų11.815%0.157%0.073CC..Hα-helixtrans-63.7-46.2173.5-174.7179.9154.800111.5G159 H160 A161 L162 G183 S184 V185 H190 A191G159-E187 WeakPolarHBondContact CA-OE1 3.25Å; G159-E187 PolarHBondContact N-OE1 2.87Å; G159-E187 PolarHBondContact N-OE2 2.73Å; H160-E187 PolarHBondContact N-OE1 2.78Å; A161-E187 HydrophobicContact CB-CG 4.39Å; A161-E187 WeakPolarHBondContact CB-OE1 3.47Å; A161-E187 PolarHBondContact N-OE1 3.04Å; L162-E187 HydrophobicContact CB-CG 4.39Å; L162-E187 PolarHBondContact N-OE1 2.82Å; L162-E187 VanDerWaalsContact N-OE1 3.12Å; G183-E187 WeakPolarHBondContact O-CB 3.41Å; G183-E187 PolarHBondContact O-N 3.4Å; S184-E187 PolarHBondContact O-N 2.99Å; V185-E187 VanDerWaalsContact C-N 3.31Å; V185-E187 PolarHBondContact O-N 3.39Å; E187-H190 PolarHBondContact O-N 3.17Å; E187-A191 VanDerWaalsContact O-CB 3.31Å; E187-A191 WeakPolarHBondContact O-CB 3.32Å; E187-A191 PolarHBondContact O-N 3.01Å
188L96.2Very high93.4Very high1 Ų116.6 Ų16.61%0.00510%0.099CC..Hα-helixtrans-72.8-37.8-178.2-83.9166.3000113.7F121 A161 M165 V176 C178 S184 V185 H190 A191 L192 L213F121-L188 HydrophobicContact CB-CD1 3.7Å; F121-L188 HydrophobicContact CD2-CD1 4Å; F121-L188 HydrophobicContact CD2-CD2 3.76Å; F121-L188 HydrophobicContact CE2-CD2 3.9Å; F121-L188 HydrophobicContact CG-CD1 3.95Å; F121-L188 HydrophobicContact CG-CD2 4.1Å; F121-L188 HydrophobicContact CZ-CD2 4.36Å; A161-L188 HydrophobicContact CB-CD2 3.94Å; A161-L188 HydrophobicContact CB-CG 4.04Å; M165-L188 HydrophobicContact CG-CD2 3.77Å; M165-L188 HydrophobicContact SD-CD2 4.3Å; V176-L188 HydrophobicContact CG1-CD2 4.41Å; C178-L188 HydrophobicContact CB-CD1 3.5Å; C178-L188 VanDerWaalsContact CB-CD1 3.5Å; S184-L188 PolarHBondContact O-N 3.34Å; S184-L188 VanDerWaalsContact O-N 3.09Å; V185-L188 PolarHBondContact O-N 3.41Å; V185-L188 VanDerWaalsContact O-N 3.16Å; L188-H190 VanDerWaalsContact C-N 3.33Å; L188-A191 PolarHBondContact O-N 2.84Å; L188-L192 WeakPolarHBondContact O-CB 3.27Å; L188-L192 WeakPolarHBondContact O-CG 3.44Å; L188-L192 PolarHBondContact O-N 3.27Å; L188-L213 HydrophobicContact CB-CD1 4.41Å; L188-L213 HydrophobicContact CB-CD2 4.34Å
189C96.6Very high93.2Very high0 Ų021.4 Ų21.40%012%0.124CC..Hα-helixtrans-60.3-46.7172.6-65.30000110.5V185 A191 L192 V193 L213 M254 F268 I480V185-C189 PolarHBondContact O-N 3.06Å; V185-C189 PolarHBondContact O-SG 2.92Å; C189-A191 PolarHBondContact O-N 3.34Å; C189-L192 PolarHBondContact O-N 3.5Å; C189-V193 PolarHBondContact O-N 2.91Å; C189-L213 WeakPolarHBondContact SG-CD2 3.41Å; C189-M254 HydrophobicContact CB-CE 3.46Å; C189-M254 VanDerWaalsContact CB-CE 3.46Å; C189-M254 HydrophobicContact CB-SD 4.47Å; C189-F268 HydrophobicContact CB-CE2 3.98Å; C189-F268 HydrophobicContact CB-CZ 4.15Å; C189-I480 HydrophobicContact CB-CD1 3.89Å
190H96.3Very high93.2Very high27 Ų2724.1 Ų24.113%0.12515%0.147CC..Hα-helixtrans-60.2-45.4175171.360000111.7A186 E187 L188 L192 V193 L194 F266A186-H190 WeakPolarHBondContact O-CB 3.33Å; A186-H190 PolarHBondContact O-N 2.98Å; E187-H190 PolarHBondContact O-N 3.17Å; L188-H190 VanDerWaalsContact C-N 3.33Å; H190-L192 PolarHBondContact O-N 2.89Å; H190-V193 PolarHBondContact O-N 3.09Å; H190-L194 WeakPolarHBondContact O-CB 3.39Å; H190-L194 PolarHBondContact O-N 2.82Å; H190-F266 AromaticContact ND1-CD2 3.67Å; H190-F266 PolarHBondContact ND1-N 3.14Å
191A96.3Very high93.3Very high1 Ų131 Ų311%0.00818%0.183CC..Hα-helixtrans-61.7-41.2-179.400000113.1L162 M165 E187 L188 C189 R195L162-A191 HydrophobicContact CB-CB 4.3Å; L162-A191 HydrophobicContact CD1-CB 3.45Å; L162-A191 VanDerWaalsContact CD1-CB 3.45Å; L162-A191 HydrophobicContact CG-CB 4.49Å; M165-A191 HydrophobicContact CB-CB 3.97Å; M165-A191 HydrophobicContact CG-CB 4.11Å; E187-A191 VanDerWaalsContact O-CB 3.31Å; E187-A191 WeakPolarHBondContact O-CB 3.32Å; E187-A191 PolarHBondContact O-N 3.01Å; L188-A191 PolarHBondContact O-N 2.84Å; C189-A191 PolarHBondContact O-N 3.34Å; A191-R195 WeakPolarHBondContact O-CB 3.28Å; A191-R195 PolarHBondContact O-N 2.87Å
192L97Very high93.6Very high3 Ų332 Ų322%0.01619%0.19CC..Hα-helixtrans-64.3-47.4179.5-82.8166.7000112.2M165 V176 L188 C189 H190 R195 A196 A209 L211 L213 I480M165-L192 HydrophobicContact CE-CD2 3.39Å; M165-L192 HydrophobicContact CE-CG 3.93Å; V176-L192 HydrophobicContact CG2-CD2 4.12Å; L188-L192 WeakPolarHBondContact O-CB 3.27Å; L188-L192 WeakPolarHBondContact O-CG 3.44Å; L188-L192 PolarHBondContact O-N 3.27Å; C189-L192 PolarHBondContact O-N 3.5Å; H190-L192 PolarHBondContact O-N 2.89Å; L192-R195 PolarHBondContact O-N 2.97Å; L192-A196 PolarHBondContact O-N 3.28Å; L192-A209 HydrophobicContact CB-CB 3.94Å; L192-L211 HydrophobicContact CD2-CB 4.45Å; L192-L213 HydrophobicContact CD1-CB 3.78Å; L192-L213 HydrophobicContact CD1-CD1 4.22Å; L192-L213 HydrophobicContact CD1-CD2 4.3Å; L192-L213 HydrophobicContact CD1-CG 4.32Å; L192-I480 HydrophobicContact CD1-CD1 4.28Å
193V96.9Very high93.6Very high0 Ų036.2 Ų36.20%022%0.218CC..Hα-helixtrans-68.8-44.1178.8176.20000110.8C189 H190 R195 A196 Q197 A209 M254 F266 L479C189-V193 PolarHBondContact O-N 2.91Å; H190-V193 PolarHBondContact O-N 3.09Å; V193-R195 VanDerWaalsContact C-N 3.29Å; V193-R195 PolarHBondContact O-N 3.01Å; V193-A196 PolarHBondContact O-N 2.93Å; V193-Q197 PolarHBondContact O-N 2.92Å; V193-A209 HydrophobicContact CG2-CB 4.39Å; V193-M254 HydrophobicContact CG2-SD 3.77Å; V193-F266 HydrophobicContact CB-CD2 3.92Å; V193-F266 HydrophobicContact CB-CE2 4.33Å; V193-F266 HydrophobicContact CB-CG 4.24Å; V193-F266 HydrophobicContact CG1-CD1 4.02Å; V193-F266 HydrophobicContact CG1-CD2 3.56Å; V193-F266 HydrophobicContact CG1-CE1 4.04Å; V193-F266 HydrophobicContact CG1-CE2 3.59Å; V193-F266 HydrophobicContact CG1-CG 3.8Å; V193-F266 HydrophobicContact CG1-CZ 3.85Å; V193-L479 HydrophobicContact CB-CD2 4.48Å; V193-L479 HydrophobicContact CG1-CD1 4.36Å; V193-L479 HydrophobicContact CG1-CD2 3.54Å; V193-L479 HydrophobicContact CG1-CG 3.94Å; V193-L479 HydrophobicContact CG2-CD2 4.11Å; V193-L479 HydrophobicContact CG2-CG 4.06Å
194L94.9Very high93.4Very high31 Ų3142.2 Ų42.216%0.16223%0.234CC..Hα-helixtrans-61.3-40.5176.7-177.864.2000111.1L162 H190 Q197 L198 L263L162-L194 HydrophobicContact CD1-CD2 4.23Å; H190-L194 WeakPolarHBondContact O-CB 3.39Å; H190-L194 PolarHBondContact O-N 2.82Å; L194-Q197 PolarHBondContact O-N 2.79Å; L194-L198 HydrophobicContact CG-CD1 4.28Å; L194-L198 VanDerWaalsContact O-CG 3.29Å; L194-L198 WeakPolarHBondContact O-CG 3.47Å; L194-L198 PolarHBondContact O-N 2.84Å; L194-L263 HydrophobicContact CD1-CD2 4.47Å
195R94.5Very high93.3Very high37 Ų3746.6 Ų46.614%0.1426%0.256CS..Hα-helixtrans-62.4-43.8176.1179.557.8-172.3-90.31.6111.5M165 K166 C168 L170 A191 L192 V193 Q197 L198 D199M165-R195 PolarHBondContact O-NH1 2.85Å; K166-R195 VanDerWaalsContact C-NH1 3.32Å; K166-R195 PolarHBondContact O-NH1 2.82Å; C168-R195 PolarHBondContact O-NH1 3.24Å; C168-R195 PolarHBondContact O-NH2 2.74Å; L170-R195 HydrophobicContact CD1-CG 3.66Å; A191-R195 WeakPolarHBondContact O-CB 3.28Å; A191-R195 PolarHBondContact O-N 2.87Å; L192-R195 PolarHBondContact O-N 2.97Å; V193-R195 VanDerWaalsContact C-N 3.29Å; V193-R195 PolarHBondContact O-N 3.01Å; R195-Q197 VanDerWaalsContact C-N 3.33Å; R195-Q197 PolarHBondContact O-N 3.05Å; R195-L198 PolarHBondContact O-N 2.78Å; R195-D199 IonicContact CZ-OD1 3.08Å; R195-D199 IonicContact CZ-OD2 2.75Å; R195-D199 VanDerWaalsContact NE-CG 3.32Å; R195-D199 IonicContact NE-OD1 2.73Å; R195-D199 PolarHBondContact NE-OD1 2.95Å; R195-D199 IonicContact NE-OD2 3.96Å; R195-D199 PolarHBondContact NE-OD2 2.73Å; R195-D199 VanDerWaalsContact NE-OD2 3.1Å; R195-D199 IonicContact NH2-OD1 2.63Å; R195-D199 PolarHBondContact NH2-OD1 2.77Å; R195-D199 IonicContact NH2-OD2 3.72Å; R195-D199 VanDerWaalsContact O-CG 3.32Å; R195-D199 PolarHBondContact O-N 2.88Å
196A95.1Very high93.3Very high12 Ų1248 Ų4810%0.09927%0.265CS..Hα-helixtrans-61.5-39.2176.100000112.6L192 V193 A200 V207 R208L192-A196 PolarHBondContact O-N 3.28Å; V193-A196 PolarHBondContact O-N 2.93Å; A196-A200 WeakPolarHBondContact O-CB 3.32Å; A196-A200 PolarHBondContact O-N 2.84Å; A196-A200 VanDerWaalsContact O-N 3.12Å; A196-V207 HydrophobicContact CB-CB 4.12Å; A196-V207 HydrophobicContact CB-CG1 4.03Å; A196-R208 WeakPolarHBondContact CB-O 3.5Å
197Q93.7Very high93.5Very high9 Ų949.9 Ų49.94%0.04228%0.276CS..Hα-helixtrans-63.1-42.2173.5-73.8-168.1-69.600112.7V193 L194 R195 A200 D201 S202 N205 V207V193-Q197 PolarHBondContact O-N 2.92Å; L194-Q197 PolarHBondContact O-N 2.79Å; R195-Q197 VanDerWaalsContact C-N 3.33Å; R195-Q197 PolarHBondContact O-N 3.05Å; Q197-A200 PolarHBondContact O-N 3.29Å; Q197-D201 PolarHBondContact O-N 3.13Å; Q197-D201 VanDerWaalsContact O-N 3.14Å; Q197-S202 PolarHBondContact NE2-O 2.84Å; Q197-S202 VanDerWaalsContact NE2-O 3.15Å; Q197-S202 PolarHBondContact O-N 2.77Å; Q197-N205 VanDerWaalsContact NE2-C 3.33Å; Q197-N205 PolarHBondContact NE2-O 3.18Å; Q197-V207 HydrophobicContact CG-CB 4.28Å; Q197-V207 HydrophobicContact CG-CG2 4.25Å
198L92.6Very high93.6Very high101 Ų10154.2 Ų54.253%0.52929%0.291SS..Hα-helixtrans-66.1-43.8178.5-69.1171000111.5L194 R195 A200 D201L194-L198 HydrophobicContact CG-CD1 4.28Å; L194-L198 VanDerWaalsContact O-CG 3.29Å; L194-L198 WeakPolarHBondContact O-CG 3.47Å; L194-L198 PolarHBondContact O-N 2.84Å; R195-L198 PolarHBondContact O-N 2.78Å; L198-A200 PolarHBondContact O-N 2.82Å; L198-D201 PolarHBondContact O-N 2.97Å
199D93.8Very high93.6Very high104 Ų10454.4 Ų54.456%0.55629%0.293SS*.Hα-helixtrans-64.9-29.1178.8-69.3-22.4000112R195R195-D199 IonicContact CZ-OD1 3.08Å; R195-D199 IonicContact CZ-OD2 2.75Å; R195-D199 VanDerWaalsContact NE-CG 3.32Å; R195-D199 IonicContact NE-OD1 2.73Å; R195-D199 PolarHBondContact NE-OD1 2.95Å; R195-D199 IonicContact NE-OD2 3.96Å; R195-D199 PolarHBondContact NE-OD2 2.73Å; R195-D199 VanDerWaalsContact NE-OD2 3.1Å; R195-D199 IonicContact NH2-OD1 2.63Å; R195-D199 PolarHBondContact NH2-OD1 2.77Å; R195-D199 IonicContact NH2-OD2 3.72Å; R195-D199 VanDerWaalsContact O-CG 3.32Å; R195-D199 PolarHBondContact O-N 2.88Å
200A94.8Very high93.5Very high57 Ų5758.8 Ų58.847%0.47133%0.329SS..THydrogen-bonded Turntrans-92.30178.200000114.5A196 Q197 L198 S202 V207A196-A200 WeakPolarHBondContact O-CB 3.32Å; A196-A200 PolarHBondContact O-N 2.84Å; A196-A200 VanDerWaalsContact O-N 3.12Å; Q197-A200 PolarHBondContact O-N 3.29Å; L198-A200 PolarHBondContact O-N 2.82Å; A200-S202 PolarHBondContact O-N 2.86Å; A200-V207 HydrophobicContact CB-CG1 4.26Å; A200-V207 HydrophobicContact CB-CG2 3.9Å
201D92.8Very high93.5Very high146 Ų14658.5 Ų58.578%0.78133%0.328SS*.THydrogen-bonded Turntrans49.141.9-172.8-160.427.5000113.4Q197 L198 P203Q197-D201 PolarHBondContact O-N 3.13Å; Q197-D201 VanDerWaalsContact O-N 3.14Å; L198-D201 PolarHBondContact O-N 2.97Å; D201-P203 VanDerWaalsContact C-CD 3.45Å; D201-P203 VanDerWaalsContact O-CD 3.25Å; D201-P203 WeakPolarHBondContact O-CD 3.1Å
202S92.2Very high93.6Very high25 Ų2559.3 Ų59.318%0.17533%0.333CS..  trans-119.873.6-175.91770000111Q197 A200 E204 N205Q197-S202 PolarHBondContact NE2-O 2.84Å; Q197-S202 VanDerWaalsContact NE2-O 3.15Å; Q197-S202 PolarHBondContact O-N 2.77Å; A200-S202 PolarHBondContact O-N 2.86Å; S202-E204 VanDerWaalsContact C-N 3.26Å; S202-E204 PolarHBondContact O-N 2.91Å; S202-N205 WeakPolarHBondContact OG-CB 3.43Å; S202-N205 PolarHBondContact OG-O 2.88Å
203P83.8Confident93.7Very high107 Ų10759.1 Ų59.170%0.69533%0.333SS*.SBendtrans-67.4-27-177.626.7-34.1000113D201D201-P203 VanDerWaalsContact C-CD 3.45Å; D201-P203 VanDerWaalsContact O-CD 3.25Å; D201-P203 WeakPolarHBondContact O-CD 3.1Å
204E83.2Confident93.7Very high171 Ų17159.1 Ų59.180%0.79933%0.333SS*.SBendtrans-88.8-30.5-175.6-61.7-173.2170.300113.2S202S202-E204 VanDerWaalsContact C-N 3.26Å; S202-E204 PolarHBondContact O-N 2.91Å
205N88.7Confident93.8Very high108 Ų10857.8 Ų57.858%0.57833%0.326SS*.SBendtrans-113.8125.5-177.3-58.6-61000111Q197 S202 V207Q197-N205 VanDerWaalsContact NE2-C 3.33Å; Q197-N205 PolarHBondContact NE2-O 3.18Å; S202-N205 WeakPolarHBondContact OG-CB 3.43Å; S202-N205 PolarHBondContact OG-O 2.88Å; N205-V207 PolarHBondContact O-N 2.93Å
206P93.8Very high93.9Very high34 Ų3456 Ų5622%0.22132%0.319CS..  trans-61.4136.4174.6-2840.5000112.1F266 L479P206-F266 HydrophobicContact CB-CE1 3.75Å; P206-F266 HydrophobicContact CB-CZ 4.01Å; P206-F266 HydrophobicContact CG-CE1 3.6Å; P206-F266 HydrophobicContact CG-CZ 3.94Å; P206-L479 HydrophobicContact CB-CD1 3.77Å; P206-L479 HydrophobicContact CB-CD2 3.97Å
207V96.3Very high93.6Very high41 Ų4155.6 Ų55.625%0.24832%0.315CS..  trans-112.5136.6-179.8-1790000108.5A196 Q197 A200 N205 A209A196-V207 HydrophobicContact CB-CB 4.12Å; A196-V207 HydrophobicContact CB-CG1 4.03Å; Q197-V207 HydrophobicContact CG-CB 4.28Å; Q197-V207 HydrophobicContact CG-CG2 4.25Å; A200-V207 HydrophobicContact CB-CG1 4.26Å; A200-V207 HydrophobicContact CB-CG2 3.9Å; N205-V207 PolarHBondContact O-N 2.93Å; V207-A209 PolarHBondContact O-N 3.03Å
208R96.6Very high92.8Very high124 Ų12455.2 Ų55.247%0.46831%0.313SS..  trans-58.1134.7178.9176.8-178.4-72.8167.72.5110.3A196 A210 R478 L479A196-R208 WeakPolarHBondContact CB-O 3.5Å; R208-A210 PolarHBondContact O-N 3.36Å; R208-R478 PolarHBondContact NE-O 3.13Å; R208-R478 PolarHBondContact NH2-O 3.49Å; R208-L479 VanDerWaalsContact CA-O 3.29Å; R208-L479 WeakPolarHBondContact CA-O 3.28Å
209A96.4Very high91.5Very high4 Ų452 Ų523%0.03330%0.301CS..  trans-58.7128.717300000111.1L192 V193 V207 L479 I480L192-A209 HydrophobicContact CB-CB 3.94Å; V193-A209 HydrophobicContact CG2-CB 4.39Å; V207-A209 PolarHBondContact O-N 3.03Å; A209-L479 PolarHBondContact N-O 2.64Å; A209-I480 HydrophobicContact CB-CG1 4.16Å
210A93.9Very high89.7Confident92 Ų9247.9 Ų47.976%0.7628%0.281SS*.SBendtrans-68.5-37.4-177.800000113R208R208-A210 PolarHBondContact O-N 3.36Å
211L97.1Very high87.5Confident21 Ų2150.7 Ų50.711%0.1129%0.292CS..SBendtrans-103.1142.3-178.4-63-176.9000111.8L170 Y173 V176 L192L170-L211 HydrophobicContact CB-CD1 3.97Å; L170-L211 HydrophobicContact CD2-CD1 4.26Å; Y173-L211 WeakPolarHBondContact O-CD2 3.19Å; V176-L211 HydrophobicContact CG2-CB 4.47Å; V176-L211 HydrophobicContact CG2-CD1 4.01Å; L192-L211 HydrophobicContact CD2-CB 4.45Å
212P98.1Very high85.5Confident18 Ų1844.3 Ų44.312%0.11726%0.261CS..  trans-70.5150.9169.831.3-35.8000111.9D174 V176 L249 T481 Y483D174-P212 WeakPolarHBondContact O-CD 3.45Å; V176-P212 PolarHBondContact N-O 2.96Å; P212-L249 HydrophobicContact CB-CD2 3.76Å; P212-L249 HydrophobicContact CG-CD2 4.13Å; P212-T481 CarbonylContact C-O 3.48Å; P212-T481 WeakPolarHBondContact CA-O 3.22Å; P212-T481 HydrophobicContact CB-CG2 4.09Å; P212-Y483 HydrophobicContact CB-CD2 4.17Å; P212-Y483 HydrophobicContact CB-CE2 3.72Å; P212-Y483 HydrophobicContact CG-CE1 4.36Å; P212-Y483 HydrophobicContact CG-CE2 3.61Å; P212-Y483 VanDerWaalsContact CG-OH 3.28Å; P212-Y483 WeakPolarHBondContact CG-OH 3.34Å
213L98.5Very high84.2Confident0 Ų043.5 Ų43.50%026%0.255CS..EExtended strand (participates in β ladder)trans-111.3124.9176.8178.168.8000112V176 C178 L188 C189 L192 I215 T481 L482 Y483V176-L213 HydrophobicContact CB-CD1 4Å; V176-L213 HydrophobicContact CG1-CD1 3.81Å; V176-L213 CarbonylContact O-C 3.51Å; V176-L213 WeakPolarHBondContact O-CA 3.26Å; C178-L213 HydrophobicContact CB-CD1 4.22Å; L188-L213 HydrophobicContact CB-CD1 4.41Å; L188-L213 HydrophobicContact CB-CD2 4.34Å; C189-L213 WeakPolarHBondContact SG-CD2 3.41Å; L192-L213 HydrophobicContact CD1-CB 3.78Å; L192-L213 HydrophobicContact CD1-CD1 4.22Å; L192-L213 HydrophobicContact CD1-CD2 4.3Å; L192-L213 HydrophobicContact CD1-CG 4.32Å; L213-I215 HydrophobicContact CD2-CG1 4.36Å; L213-I215 HydrophobicContact CG-CG1 4.37Å; L213-T481 PolarHBondContact N-O 3.01Å; L213-L482 HydrophobicContact CB-CD2 3.73Å; L213-L482 HydrophobicContact CD2-CD2 4.13Å; L213-L482 HydrophobicContact CG-CD2 4.29Å; L213-L482 CarbonylContact O-C 3.59Å; L213-L482 VanDerWaalsContact O-CA 3.25Å; L213-L482 WeakPolarHBondContact O-CA 3.31Å; L213-Y483 PolarHBondContact O-N 2.87Å
214G98Very high83.7Confident0 Ų040.7 Ų40.70%024%0.236CC..EExtended strand (participates in β ladder)trans-92.3131.2170.800000110.1V176 V177 C178V176-G214 PolarHBondContact O-N 3.34Å; V177-G214 CarbonylContact C-O 3.46Å; V177-G214 WeakPolarHBondContact CA-O 3.35Å; C178-G214 PolarHBondContact N-O 3.45Å
215I96.3Very high83.6Confident3 Ų332.7 Ų32.72%0.01520%0.199CC..EExtended strand (participates in β ladder)trans-110.3112.6179.5-61.7163.9000108.2V185 L213 P217 V227 H232 A240 L482V185-I215 HydrophobicContact CG1-CD1 3.59Å; V185-I215 HydrophobicContact CG1-CG1 3.91Å; V185-I215 HydrophobicContact CG1-CG2 4.5Å; V185-I215 HydrophobicContact CG2-CB 4.47Å; V185-I215 HydrophobicContact CG2-CG1 4.21Å; V185-I215 HydrophobicContact CG2-CG2 3.55Å; L213-I215 HydrophobicContact CD2-CG1 4.36Å; L213-I215 HydrophobicContact CG-CG1 4.37Å; I215-P217 WeakPolarHBondContact O-CD 3.43Å; I215-V227 HydrophobicContact CD1-CB 4.32Å; I215-V227 HydrophobicContact CD1-CG1 3.55Å; I215-H232 PolarHBondContact O-CE1 3.1Å; I215-A240 VanDerWaalsContact O-CB 3.26Å; I215-A240 WeakPolarHBondContact O-CB 3.43Å; I215-L482 HydrophobicContact CD1-CD1 4.02Å; I215-L482 HydrophobicContact CD1-CD2 4.41Å
216I95.3Very high83.6Confident0 Ų028.4 Ų28.40%018%0.177CC..EExtended strand (participates in β ladder)trans-99.5110171.6-52.4-54.6000107.9I134 V139 V177 C178 V179 G180 A218 P237 A240 A241I134-I216 HydrophobicContact CG2-CG2 4.12Å; V139-I216 HydrophobicContact CG1-CD1 4.49Å; V139-I216 HydrophobicContact CG1-CG1 4.39Å; V139-I216 HydrophobicContact CG2-CB 4.5Å; V139-I216 HydrophobicContact CG2-CD1 4.43Å; V139-I216 HydrophobicContact CG2-CG1 4.2Å; V139-I216 HydrophobicContact CG2-CG2 3.62Å; V177-I216 HydrophobicContact CG1-CD1 4.4Å; V177-I216 HydrophobicContact CG1-CG1 3.72Å; C178-I216 PolarHBondContact O-N 2.87Å; V179-I216 HydrophobicContact CB-CB 4.39Å; V179-I216 HydrophobicContact CG1-CB 4.25Å; V179-I216 HydrophobicContact CG1-CG2 4.18Å; V179-I216 HydrophobicContact CG2-CB 4.06Å; V179-I216 HydrophobicContact CG2-CG1 4.17Å; G180-I216 PolarHBondContact N-O 2.65Å; I216-A218 PolarHBondContact O-N 3.28Å; I216-A218 VanDerWaalsContact O-N 3.13Å; I216-P237 HydrophobicContact CG2-CB 3.73Å; I216-A240 HydrophobicContact CD1-CB 3.75Å; I216-A241 HydrophobicContact CD1-CB 4.17Å
217P89.7Confident83.4Confident3 Ų327 Ų272%0.01917%0.167CC..EExtended strand (participates in β ladder)trans-65.8116.3179.226.3-33.1000109.8I215 A219I215-P217 WeakPolarHBondContact O-CD 3.43Å; P217-A219 PolarHBondContact O-N 2.78Å; P217-A219 VanDerWaalsContact O-N 3.13Å
218A77.1Confident83.2Confident0 Ų025.2 Ų25.20%016%0.157CC..  trans-86.245.5172.900000111.2H127 A131 I134 V179 G180 I216H127-A218 WeakPolarHBondContact CB-O 3.36Å; A131-A218 HydrophobicContact CB-CB 3.69Å; I134-A218 HydrophobicContact CD1-CB 4.16Å; V179-A218 HydrophobicContact CG1-CB 4.43Å; G180-A218 PolarHBondContact O-N 2.83Å; G180-A218 VanDerWaalsContact O-N 3.13Å; I216-A218 PolarHBondContact O-N 3.28Å; I216-A218 VanDerWaalsContact O-N 3.13Å
219A64.4Low82.8Confident34 Ų3419.4 Ų19.428%0.28114%0.135SC..  trans-63.8140.8-16200000113.4P217 D225P217-A219 PolarHBondContact O-N 2.78Å; P217-A219 VanDerWaalsContact O-N 3.13Å; A219-D225 WeakPolarHBondContact CB-OD2 3.43Å
220S55.9Low82.6Confident18 Ų1819.3 Ų19.313%0.12613%0.134CC..  trans-118.9164.5159.561.20000109.2H127 G222 S223H127-S220 VanDerWaalsContact CB-OG 3.31Å; H127-S220 WeakPolarHBondContact CB-OG 3.28Å; H127-S220 PolarHBondContact ND1-OG 3.1Å; S220-G222 PolarHBondContact O-N 2.93Å; S220-S223 PolarHBondContact O-N 2.95Å; S220-S223 VanDerWaalsContact O-N 3.1Å
221T49.8Very low82.5Confident115 Ų11515 Ų1571%0.70610%0.099SC*.THydrogen-bonded Turntrans-51111.5174.331.70000110.9K128K128-T221 PolarHBondContact NZ-OG1 3Å
222G50.5Low82.2Confident13 Ų1314.2 Ų14.213%0.1349%0.094CC..THydrogen-bonded Turntrans93.524.5-179.400000116.6S220 R294S220-G222 PolarHBondContact O-N 2.93Å; G222-R294 VanDerWaalsContact CA-NH2 3.29Å; G222-R294 PolarHBondContact O-NH1 2.86Å; G222-R294 PolarHBondContact O-NH2 2.95Å
223S65.8Low81.8Confident7 Ų713.4 Ų13.45%0.0499%0.09CC..  trans-81.7154.8156.9-162.60000111H127 S220 D225 R235H127-S223 VanDerWaalsContact CE1-CB 3.48Å; H127-S223 WeakPolarHBondContact CE1-CB 3.49Å; H127-S223 PolarHBondContact CE1-OG 3.29Å; H127-S223 PolarHBondContact NE2-OG 3.25Å; S220-S223 PolarHBondContact O-N 2.95Å; S220-S223 VanDerWaalsContact O-N 3.1Å; S223-D225 WeakPolarHBondContact CB-OD1 3.46Å; S223-D225 WeakPolarHBondContact CB-OD2 3.46Å; S223-D225 VanDerWaalsContact OG-CG 3.25Å; S223-D225 PolarHBondContact OG-OD1 3.43Å; S223-D225 PolarHBondContact OG-OD2 2.97Å; S223-R235 PolarHBondContact O-NH1 3.28Å
224T71.6Confident81.2Confident48 Ų4813.7 Ų13.729%0.2949%0.091SC..  trans-85.3-43.6173.637.50000111.3D182 V226 S364D182-T224 PolarHBondContact OD2-OG1 2.79Å; T224-V226 PolarHBondContact O-N 3.19Å; T224-S364 WeakPolarHBondContact O-CB 3.42Å
225D82.8Confident80.7Confident3 Ų316.8 Ų16.82%0.01610%0.103CC..  trans47.545.4177.8-58.1-30000112.1D182 A219 S223 V227 S228 C229 R235D182-D225 WeakPolarHBondContact OD1-CA 3.12Å; D182-D225 WeakPolarHBondContact OD2-CA 3.45Å; D182-D225 PolarHBondContact OD2-N 2.96Å; A219-D225 WeakPolarHBondContact CB-OD2 3.43Å; S223-D225 WeakPolarHBondContact CB-OD1 3.46Å; S223-D225 WeakPolarHBondContact CB-OD2 3.46Å; S223-D225 VanDerWaalsContact OG-CG 3.25Å; S223-D225 PolarHBondContact OG-OD1 3.43Å; S223-D225 PolarHBondContact OG-OD2 2.97Å; D225-V227 VanDerWaalsContact C-N 3.32Å; D225-V227 PolarHBondContact O-N 3.09Å; D225-S228 PolarHBondContact O-N 3.33Å; D225-C229 WeakPolarHBondContact O-CB 3.45Å; D225-C229 PolarHBondContact O-N 3.07Å; D225-C229 PolarHBondContact O-SG 3.32Å; D225-R235 HydrophobicContact CB-CG 4.39Å
226V87.9Confident80.4Confident19 Ų1918.1 Ų18.112%0.11511%0.11CC..Hα-helixtrans-62.5-38.6-165.5-63.30000112.7D182 T224 S230 C362 L363D182-V226 PolarHBondContact OD1-N 3.35Å; T224-V226 PolarHBondContact O-N 3.19Å; V226-S230 VanDerWaalsContact O-CB 3.27Å; V226-S230 WeakPolarHBondContact O-CB 3.42Å; V226-S230 PolarHBondContact O-N 3.32Å; V226-S230 PolarHBondContact O-OG 2.83Å; V226-C362 HydrophobicContact CB-CB 4.39Å; V226-L363 WeakPolarHBondContact CA-O 3.24Å
227V90.3Very high80.3Confident4 Ų419.2 Ų19.22%0.02412%0.117CC..Hα-helixtrans-69.8-46179.5-173.20000110.1V185 I215 D225 S230 V231 F268 I360 L482V185-V227 HydrophobicContact CG1-CB 4.08Å; V185-V227 HydrophobicContact CG1-CG1 4.08Å; V185-V227 HydrophobicContact CG1-CG2 4.31Å; I215-V227 HydrophobicContact CD1-CB 4.32Å; I215-V227 HydrophobicContact CD1-CG1 3.55Å; D225-V227 VanDerWaalsContact C-N 3.32Å; D225-V227 PolarHBondContact O-N 3.09Å; V227-S230 PolarHBondContact O-N 3.04Å; V227-V231 HydrophobicContact CG1-CG2 4.34Å; V227-V231 WeakPolarHBondContact O-CB 3.42Å; V227-V231 WeakPolarHBondContact O-CG2 2.84Å; V227-V231 PolarHBondContact O-N 3.44Å; V227-F268 HydrophobicContact CG1-CE2 4.15Å; V227-F268 HydrophobicContact CG1-CZ 4.5Å; V227-F268 HydrophobicContact CG2-CD2 3.83Å; V227-F268 HydrophobicContact CG2-CE2 4.12Å; V227-I360 HydrophobicContact CB-CD1 4.5Å; V227-I360 HydrophobicContact CG2-CD1 4.08Å; V227-L482 HydrophobicContact CG1-CD1 4.04Å
228S90.6Very high80.6Confident3 Ų320.8 Ų20.82%0.02113%0.126CC..Hα-helixtrans-63.1-45.4178.2-179.90000111.3D225 S230 V231 H232D225-S228 PolarHBondContact O-N 3.33Å; S228-S230 VanDerWaalsContact C-N 3.33Å; S228-S230 PolarHBondContact O-N 3.04Å; S228-V231 PolarHBondContact O-N 3.19Å; S228-H232 WeakPolarHBondContact O-CB 3.29Å; S228-H232 PolarHBondContact O-N 2.78Å; S228-H232 PolarHBondContact OG-ND1 2.85Å
229C89.9Confident81.5Confident3 Ų320.8 Ų20.82%0.0213%0.126CC..Hα-helixtrans-61.5-40.9176.5-65.30000111.9D225 V231 G233 R235 L363D225-C229 WeakPolarHBondContact O-CB 3.45Å; D225-C229 PolarHBondContact O-N 3.07Å; D225-C229 PolarHBondContact O-SG 3.32Å; C229-V231 VanDerWaalsContact C-N 3.29Å; C229-V231 PolarHBondContact O-N 3.02Å; C229-G233 WeakPolarHBondContact O-CA 3.36Å; C229-G233 PolarHBondContact O-N 2.74Å; C229-R235 WeakPolarHBondContact SG-CG 3.49Å; C229-L363 HydrophobicContact CB-CB 3.8Å; C229-L363 WeakPolarHBondContact CB-O 3.43Å
230S91.3Very high83Confident2 Ų219.1 Ų19.11%0.01411%0.113CC..Hα-helixtrans-67.9-27.4177.8-810000113.6V226 V227 S228 C362 L363V226-S230 VanDerWaalsContact O-CB 3.27Å; V226-S230 WeakPolarHBondContact O-CB 3.42Å; V226-S230 PolarHBondContact O-N 3.32Å; V226-S230 PolarHBondContact O-OG 2.83Å; V227-S230 PolarHBondContact O-N 3.04Å; S228-S230 VanDerWaalsContact C-N 3.33Å; S228-S230 PolarHBondContact O-N 3.04Å; S230-C362 PolarHBondContact OG-N 2.78Å; S230-C362 VanDerWaalsContact OG-N 3.08Å; S230-L363 PolarHBondContact OG-N 3.05Å
231V91.8Very high85Confident2 Ų218.3 Ų18.31%0.01211%0.107CC..Hα-helixtrans-96.4-27.5-176.2175.90000112.7V227 S228 C229 L482 E485V227-V231 HydrophobicContact CG1-CG2 4.34Å; V227-V231 WeakPolarHBondContact O-CB 3.42Å; V227-V231 WeakPolarHBondContact O-CG2 2.84Å; V227-V231 PolarHBondContact O-N 3.44Å; S228-V231 PolarHBondContact O-N 3.19Å; C229-V231 VanDerWaalsContact C-N 3.29Å; C229-V231 PolarHBondContact O-N 3.02Å; V231-L482 HydrophobicContact CG1-CB 4.1Å; V231-L482 HydrophobicContact CG2-CD1 3.56Å; V231-E485 PolarHBondContact O-N 2.84Å; V231-E485 VanDerWaalsContact O-O 3.08Å
232H91.9Very high87.3Confident3 Ų312.8 Ų12.81%0.0147%0.073CC..Hα-helixtrans-115.8-16.2-176-55.8140.9000113.7I215 S228 V234 H243 Y483 V487I215-H232 PolarHBondContact O-CE1 3.1Å; S228-H232 WeakPolarHBondContact O-CB 3.29Å; S228-H232 PolarHBondContact O-N 2.78Å; S228-H232 PolarHBondContact OG-ND1 2.85Å; H232-V234 PolarHBondContact O-N 3.49Å; H232-H243 AromaticContact CD2-CD2 3.6Å; H232-Y483 PolarHBondContact NE2-O 3.36Å; H232-V487 VanDerWaalsContact C-CG2 3.48Å
233G87.6Confident89.6Confident2 Ų212.2 Ų12.22%0.0217%0.067CC..SBendtrans72.2-23.6-173.300000114.3Q80 C229 A490 E491Q80-G233 PolarHBondContact OE1-O 2.84Å; C229-G233 WeakPolarHBondContact O-CA 3.36Å; C229-G233 PolarHBondContact O-N 2.74Å; G233-A490 WeakPolarHBondContact O-CA 3.38Å; G233-A490 VanDerWaalsContact O-CB 3.24Å; G233-A490 WeakPolarHBondContact O-CB 3.33Å; G233-E491 PolarHBondContact O-N 2.83Å
234V87.6Confident91.2Very high6 Ų611.9 Ų11.94%0.0367%0.065CC..SBendtrans-132.3145.3-178.4660000111Q80 R81 H232 D236 T239 E491Q80-V234 HydrophobicContact CB-CB 4.3Å; Q80-V234 WeakPolarHBondContact O-CG1 3.18Å; R81-V234 HydrophobicContact CG-CB 4.42Å; R81-V234 HydrophobicContact CG-CG1 4.1Å; R81-V234 HydrophobicContact CG-CG2 3.88Å; H232-V234 PolarHBondContact O-N 3.49Å; V234-D236 VanDerWaalsContact C-N 3.27Å; V234-D236 HydrophobicContact CG1-CB 4Å; V234-D236 HydrophobicContact CG2-CB 4.02Å; V234-D236 PolarHBondContact O-N 3.24Å; V234-D236 VanDerWaalsContact O-N 3.14Å; V234-T239 HydrophobicContact CG1-CG2 3.81Å; V234-E491 HydrophobicContact CG2-CB 4.49Å
235R86.8Confident92.4Very high65 Ų659.8 Ų9.825%0.2455%0.052CC..  trans-87.267.5172.1-61.5-174.7-54.6174.6-0.3110.7S223 D225 C229 P365S223-R235 PolarHBondContact O-NH1 3.28Å; D225-R235 HydrophobicContact CB-CG 4.39Å; C229-R235 WeakPolarHBondContact SG-CG 3.49Å; R235-P365 VanDerWaalsContact NE-CG 3.33Å
236D90.6Very high93.2Very high31 Ų319.9 Ų9.917%0.1665%0.053CC..  trans-125.2115.3-179.1179.660.8000110.8V234 V238 T239 A240V234-D236 VanDerWaalsContact C-N 3.27Å; V234-D236 HydrophobicContact CG1-CB 4Å; V234-D236 HydrophobicContact CG2-CB 4.02Å; V234-D236 PolarHBondContact O-N 3.24Å; V234-D236 VanDerWaalsContact O-N 3.14Å; D236-V238 PolarHBondContact O-N 3.09Å; D236-T239 PolarHBondContact O-N 3.36Å; D236-T239 VanDerWaalsContact OD2-CB 3.29Å; D236-T239 WeakPolarHBondContact OD2-CB 3.5Å; D236-T239 PolarHBondContact OD2-N 2.73Å; D236-T239 PolarHBondContact OD2-OG1 3.16Å; D236-A240 PolarHBondContact O-N 2.85Å
237P93.4Very high93.6Very high22 Ų229.2 Ų9.214%0.1435%0.05CC..Hα-helixtrans-65.6-27.2-17626-34.4000113.1I134 I216 A241I134-P237 HydrophobicContact CG2-CB 3.59Å; I134-P237 HydrophobicContact CG2-CG 3.99Å; I216-P237 HydrophobicContact CG2-CB 3.73Å; P237-A241 VanDerWaalsContact O-CB 3.29Å; P237-A241 WeakPolarHBondContact O-CB 3.44Å; P237-A241 PolarHBondContact O-N 2.85Å
238V95.6Very high93.9Very high36 Ų3611.1 Ų11.122%0.2186%0.058CC..Hα-helixtrans-70.6-46.8175.7170.20000110.3H138 L142 D236 A240 A241 L242H138-V238 HydrophobicContact CB-CG2 4.18Å; L142-V238 HydrophobicContact CD1-CG1 4.09Å; D236-V238 PolarHBondContact O-N 3.09Å; V238-A240 VanDerWaalsContact C-N 3.34Å; V238-A240 PolarHBondContact O-N 2.98Å; V238-A241 PolarHBondContact O-N 2.75Å; V238-L242 HydrophobicContact CG1-CD1 4.03Å; V238-L242 HydrophobicContact CG1-CG 4.49Å; V238-L242 WeakPolarHBondContact O-CB 3.43Å; V238-L242 WeakPolarHBondContact O-CG 3.2Å; V238-L242 PolarHBondContact O-N 2.91Å
239T96.1Very high94.2Very high0 Ų014.5 Ų14.50%08%0.076CC..Hα-helixtrans-56.2-48.9174.6-62.90000111.1R81 L82 V234 D236 A241 L242 H243R81-T239 WeakPolarHBondContact CA-OG1 3.18Å; L82-T239 HydrophobicContact CB-CG2 4.1Å; L82-T239 HydrophobicContact CD1-CG2 4.42Å; L82-T239 HydrophobicContact CG-CG2 4.02Å; L82-T239 PolarHBondContact N-OG1 2.82Å; L82-T239 PolarHBondContact O-OG1 3.39Å; V234-T239 HydrophobicContact CG1-CG2 3.81Å; D236-T239 PolarHBondContact O-N 3.36Å; D236-T239 VanDerWaalsContact OD2-CB 3.29Å; D236-T239 WeakPolarHBondContact OD2-CB 3.5Å; D236-T239 PolarHBondContact OD2-N 2.73Å; D236-T239 PolarHBondContact OD2-OG1 3.16Å; T239-A241 PolarHBondContact O-N 2.81Å; T239-L242 PolarHBondContact O-N 2.83Å; T239-H243 PolarHBondContact O-CD2 3.16Å; T239-H243 PolarHBondContact O-N 2.73Å
240A96.4Very high94.4Very high0 Ų015.6 Ų15.60%08%0.08CC..Hα-helixtrans-60.6-43.1176.700000112.8I215 I216 D236 V238 L242 H243 V244I215-A240 VanDerWaalsContact O-CB 3.26Å; I215-A240 WeakPolarHBondContact O-CB 3.43Å; I216-A240 HydrophobicContact CD1-CB 3.75Å; D236-A240 PolarHBondContact O-N 2.85Å; V238-A240 VanDerWaalsContact C-N 3.34Å; V238-A240 PolarHBondContact O-N 2.98Å; A240-L242 VanDerWaalsContact C-N 3.33Å; A240-L242 PolarHBondContact O-N 3.11Å; A240-H243 PolarHBondContact O-N 3.49Å; A240-V244 PolarHBondContact O-N 2.85Å
241A97.9Very high94.7Very high0 Ų018.5 Ų18.50%09%0.094CC..Hα-helixtrans-65.2-36176.400000112.3V139 L142 F143 I216 P237 V238 T239 V244 V245V139-A241 HydrophobicContact CG1-CB 4.1Å; V139-A241 HydrophobicContact CG2-CB 4.39Å; L142-A241 HydrophobicContact CD1-CB 3.83Å; F143-A241 HydrophobicContact CE1-CB 4.06Å; I216-A241 HydrophobicContact CD1-CB 4.17Å; P237-A241 VanDerWaalsContact O-CB 3.29Å; P237-A241 WeakPolarHBondContact O-CB 3.44Å; P237-A241 PolarHBondContact O-N 2.85Å; V238-A241 PolarHBondContact O-N 2.75Å; T239-A241 PolarHBondContact O-N 2.81Å; A241-V244 WeakPolarHBondContact O-CB 3.28Å; A241-V244 PolarHBondContact O-N 2.9Å; A241-V245 PolarHBondContact O-N 2.93Å
242L98.1Very high94.9Very high0 Ų018.5 Ų18.50%09%0.093CC..Hα-helixtrans-64.3-42.4175.3-75.5171.1000111.7F49 L82 L142 V238 T239 A240 V244 V245 L246F49-L242 HydrophobicContact CD1-CD2 3.89Å; F49-L242 HydrophobicContact CE1-CD2 3.64Å; F49-L242 HydrophobicContact CZ-CD2 4.16Å; L82-L242 HydrophobicContact CB-CB 4.13Å; L82-L242 HydrophobicContact CB-CD1 3.6Å; L82-L242 HydrophobicContact CD1-CB 4.05Å; L82-L242 WeakPolarHBondContact O-CD1 3.44Å; L142-L242 HydrophobicContact CD2-CD2 4.44Å; V238-L242 HydrophobicContact CG1-CD1 4.03Å; V238-L242 HydrophobicContact CG1-CG 4.49Å; V238-L242 WeakPolarHBondContact O-CB 3.43Å; V238-L242 WeakPolarHBondContact O-CG 3.2Å; V238-L242 PolarHBondContact O-N 2.91Å; T239-L242 PolarHBondContact O-N 2.83Å; A240-L242 VanDerWaalsContact C-N 3.33Å; A240-L242 PolarHBondContact O-N 3.11Å; L242-V244 VanDerWaalsContact C-N 3.26Å; L242-V244 PolarHBondContact O-N 2.81Å; L242-V245 HydrophobicContact CD2-CG2 4.2Å; L242-V245 WeakPolarHBondContact O-CG2 3.34Å; L242-V245 PolarHBondContact O-N 3.49Å; L242-L246 HydrophobicContact CB-CD1 4.38Å; L242-L246 VanDerWaalsContact O-CB 3.24Å; L242-L246 WeakPolarHBondContact O-CB 3.25Å; L242-L246 WeakPolarHBondContact O-CD1 3.3Å; L242-L246 WeakPolarHBondContact O-CG 3.41Å; L242-L246 PolarHBondContact O-N 2.78Å
243H98.1Very high95.2Very high0 Ų018.3 Ų18.30%09%0.093CC..Hα-helixtrans-56.8-40172.5-73-58000112.7L82 H232 T239 A240 G247 H248 E485L82-H243 VanDerWaalsContact CD1-CE1 3.45Å; L82-H243 WeakPolarHBondContact CD1-CE1 3.39Å; H232-H243 AromaticContact CD2-CD2 3.6Å; T239-H243 PolarHBondContact O-CD2 3.16Å; T239-H243 PolarHBondContact O-N 2.73Å; A240-H243 PolarHBondContact O-N 3.49Å; H243-G247 PolarHBondContact O-N 3.21Å; H243-G247 VanDerWaalsContact O-N 3.09Å; H243-H248 HydrophobicContact CB-CB 4.36Å; H243-H248 AromaticContact CE1-ND1 3.69Å; H243-H248 AromaticContact ND1-CG 3.67Å; H243-H248 AromaticContact ND1-ND1 3.1Å; H243-H248 PolarHBondContact ND1-ND1 3.19Å; H243-H248 PolarHBondContact O-N 2.85Å; H243-E485 VanDerWaalsContact CE1-CD 3.44Å; H243-E485 IonicContact CE1-OE1 3.01Å; H243-E485 IonicContact CE1-OE2 3.83Å; H243-E485 PolarHBondContact CE1-OE2 3.3Å
244V98.5Very high95.6Very high0 Ų018.2 Ų18.20%09%0.092CC..Hα-helixtrans-64.5-54.4176.6178.40000111.2P115 F143 V177 A240 A241 L242 L246 G247 Y483P115-V244 WeakPolarHBondContact CD-O 3.35Å; P115-V244 HydrophobicContact CG-CG1 3.98Å; P115-V244 WeakPolarHBondContact CG-O 3.44Å; F143-V244 HydrophobicContact CE1-CB 4.06Å; F143-V244 HydrophobicContact CE1-CG1 4.02Å; F143-V244 HydrophobicContact CZ-CB 4.05Å; F143-V244 HydrophobicContact CZ-CG1 3.7Å; F143-V244 HydrophobicContact CZ-CG2 4.45Å; V177-V244 HydrophobicContact CG2-CG1 4.18Å; V177-V244 HydrophobicContact CG2-CG2 4.5Å; A240-V244 PolarHBondContact O-N 2.85Å; A241-V244 WeakPolarHBondContact O-CB 3.28Å; A241-V244 PolarHBondContact O-N 2.9Å; L242-V244 VanDerWaalsContact C-N 3.26Å; L242-V244 PolarHBondContact O-N 2.81Å; V244-L246 VanDerWaalsContact C-N 3.3Å; V244-L246 PolarHBondContact O-N 2.82Å; V244-G247 PolarHBondContact O-N 2.88Å; V244-G247 VanDerWaalsContact O-N 3.11Å; V244-Y483 HydrophobicContact CB-CG 4.33Å; V244-Y483 HydrophobicContact CG1-CD2 4.43Å; V244-Y483 HydrophobicContact CG1-CE2 4.4Å; V244-Y483 HydrophobicContact CG2-CD2 4.01Å; V244-Y483 HydrophobicContact CG2-CG 3.92Å
245V98.2Very high96.1Very high4 Ų418 Ų182%0.0249%0.09CC..Hα-helixtrans-70.1-26.6-175.3-58.50000113.3F49 R114 F143 A146 V148 A241 L242 G247F49-V245 HydrophobicContact CB-CG2 3.92Å; F49-V245 HydrophobicContact CD2-CG2 4.43Å; F49-V245 HydrophobicContact CG-CG2 4.15Å; R114-V245 WeakPolarHBondContact CD-O 3.23Å; F143-V245 HydrophobicContact CD1-CG1 3.47Å; F143-V245 VanDerWaalsContact CD1-CG1 3.47Å; F143-V245 HydrophobicContact CE1-CG1 3.81Å; F143-V245 HydrophobicContact CG-CG1 4.43Å; A146-V245 HydrophobicContact CB-CB 3.8Å; A146-V245 HydrophobicContact CB-CG1 3.79Å; A146-V245 HydrophobicContact CB-CG2 4.49Å; V148-V245 HydrophobicContact CG2-CG1 4.15Å; A241-V245 PolarHBondContact O-N 2.93Å; L242-V245 HydrophobicContact CD2-CG2 4.2Å; L242-V245 WeakPolarHBondContact O-CG2 3.34Å; L242-V245 PolarHBondContact O-N 3.49Å; V245-G247 VanDerWaalsContact C-N 3.32Å
246L97.8Very high96.6Very high6 Ų615.5 Ų15.53%0.0318%0.083CC..Hα-helixtrans-81.6-14.3174.5-65.1168000112.6Q46 D47 F49 L82 R114 L242 V244 H248Q46-L246 WeakPolarHBondContact O-CD2 3.42Å; D47-L246 WeakPolarHBondContact O-CD2 3.48Å; F49-L246 HydrophobicContact CB-CD2 3.84Å; F49-L246 HydrophobicContact CD1-CD2 4.46Å; L82-L246 HydrophobicContact CD1-CD1 4.5Å; R114-L246 WeakPolarHBondContact CG-O 3.22Å; R114-L246 PolarHBondContact NE-O 2.96Å; L242-L246 HydrophobicContact CB-CD1 4.38Å; L242-L246 VanDerWaalsContact O-CB 3.24Å; L242-L246 WeakPolarHBondContact O-CB 3.25Å; L242-L246 WeakPolarHBondContact O-CD1 3.3Å; L242-L246 WeakPolarHBondContact O-CG 3.41Å; L242-L246 PolarHBondContact O-N 2.78Å; V244-L246 VanDerWaalsContact C-N 3.3Å; V244-L246 PolarHBondContact O-N 2.82Å; L246-H248 VanDerWaalsContact CB-CD2 3.49Å; L246-H248 WeakPolarHBondContact CB-CD2 3.43Å; L246-H248 WeakPolarHBondContact CB-NE2 3.22Å
247G97.3Very high96.9Very high5 Ų514 Ų145%0.0528%0.075CC..THydrogen-bonded Turntrans70.635.8179.700000112.9T113 H243 V244 V245 L249T113-G247 WeakPolarHBondContact CB-O 3.45Å; T113-G247 VanDerWaalsContact O-CA 3.3Å; T113-G247 WeakPolarHBondContact O-CA 3.35Å; T113-G247 PolarHBondContact OG1-O 3Å; H243-G247 PolarHBondContact O-N 3.21Å; H243-G247 VanDerWaalsContact O-N 3.09Å; V244-G247 PolarHBondContact O-N 2.88Å; V244-G247 VanDerWaalsContact O-N 3.11Å; V245-G247 VanDerWaalsContact C-N 3.32Å; G247-L249 PolarHBondContact O-N 3.11Å
248H97.3Very high97.1Very high44 Ų4414 Ų1420%0.2048%0.075CC..  trans-74.5118.9173.2-64-169000107.9H243 L246 Y483 G484 E485H243-H248 HydrophobicContact CB-CB 4.36Å; H243-H248 AromaticContact CE1-ND1 3.69Å; H243-H248 AromaticContact ND1-CG 3.67Å; H243-H248 AromaticContact ND1-ND1 3.1Å; H243-H248 PolarHBondContact ND1-ND1 3.19Å; H243-H248 PolarHBondContact O-N 2.85Å; L246-H248 VanDerWaalsContact CB-CD2 3.49Å; L246-H248 WeakPolarHBondContact CB-CD2 3.43Å; L246-H248 WeakPolarHBondContact CB-NE2 3.22Å; H248-Y483 CarbonylContact O-C 3.6Å; H248-Y483 WeakPolarHBondContact O-CA 3.27Å; H248-Y483 WeakPolarHBondContact O-CD1 3.37Å; H248-G484 CarbonylContact C-O 3.56Å; H248-G484 VanDerWaalsContact CB-O 3.27Å; H248-G484 WeakPolarHBondContact CB-O 3.34Å; H248-G484 PolarHBondContact O-N 2.63Å; H248-E485 IonicContact ND1-OE2 2.88Å
249L96.3Very high97.1Very high74 Ų7412.9 Ų12.939%0.3877%0.069SC..EExtended strand (participates in β ladder)trans-116130.2-175.1-63.6176.8000109.9T113 P212 G247 T481 Y483T113-L249 HydrophobicContact CG2-CD1 3.81Å; P212-L249 HydrophobicContact CB-CD2 3.76Å; P212-L249 HydrophobicContact CG-CD2 4.13Å; G247-L249 PolarHBondContact O-N 3.11Å; L249-T481 HydrophobicContact CB-CG2 3.91Å; L249-T481 HydrophobicContact CD2-CG2 3.95Å; L249-T481 HydrophobicContact CG-CG2 4.37Å; L249-Y483 HydrophobicContact CD2-CD1 3.67Å; L249-Y483 HydrophobicContact CD2-CE1 3.56Å; L249-Y483 HydrophobicContact CD2-CG 4.36Å
250Q94.9Very high96.8Very high25 Ų2517 Ų1712%0.11710%0.098CC..EExtended strand (participates in β ladder)trans-120.6123.2175.6-175.462.739.400108.7V252 L377 T481 L482Q250-V252 HydrophobicContact CG-CG2 4.14Å; Q250-L377 HydrophobicContact CG-CD1 3.69Å; Q250-T481 CarbonylContact O-C 3.52Å; Q250-T481 WeakPolarHBondContact O-CA 3.41Å; Q250-L482 PolarHBondContact N-O 3.34Å; Q250-L482 PolarHBondContact O-N 3.38Å
251Q95.7Very high96.5Very high64 Ų6420.9 Ų20.930%0.29914%0.138SC..EExtended strand (participates in β ladder)trans-76.9141.4169.8-64.9-176.5-14.800109.3R478Q251-R478 HydrophobicContact CB-CB 3.99Å; Q251-R478 HydrophobicContact CB-CG 3.81Å
252V96.9Very high96.2Very high1 Ų127.9 Ų27.91%0.00617%0.17CC..EExtended strand (participates in β ladder)trans-137133.6-175.4-170.80000111Q250 F268 I360 L377 R478 L479 I480 L482Q250-V252 HydrophobicContact CG-CG2 4.14Å; V252-F268 HydrophobicContact CG1-CD1 4.14Å; V252-F268 HydrophobicContact CG1-CE1 3.72Å; V252-I360 HydrophobicContact CG1-CG2 3.77Å; V252-L377 CarbonylContact C-O 3.32Å; V252-L377 VanDerWaalsContact CA-O 3.25Å; V252-L377 WeakPolarHBondContact CA-O 3.27Å; V252-L377 HydrophobicContact CG1-CB 4.4Å; V252-L377 HydrophobicContact CG1-CD2 4.26Å; V252-L377 HydrophobicContact CG2-CB 4.36Å; V252-L377 HydrophobicContact CG2-CD1 4.48Å; V252-R478 CarbonylContact O-C 3.57Å; V252-R478 WeakPolarHBondContact O-CA 3.31Å; V252-L479 PolarHBondContact O-N 2.9Å; V252-L479 VanDerWaalsContact O-N 3.09Å; V252-I480 HydrophobicContact CB-CG2 4.02Å; V252-I480 PolarHBondContact N-O 2.9Å; V252-I480 PolarHBondContact O-N 3.31Å; V252-L482 HydrophobicContact CB-CD1 4.39Å; V252-L482 HydrophobicContact CG2-CB 4.3Å; V252-L482 HydrophobicContact CG2-CD1 3.83Å; V252-L482 HydrophobicContact CG2-CG 3.89Å
253D97.3Very high96Very high0 Ų031.3 Ų31.30%019%0.188CC..EExtended strand (participates in β ladder)trans-72.5140.6173.6-63.6-15.9000110.3F268 S359 L377 D378 N379 G380 V475 H476 P477 R478D253-F268 WeakPolarHBondContact O-CD1 3.44Å; D253-S359 PolarHBondContact O-OG 3.25Å; D253-S359 VanDerWaalsContact O-OG 3.11Å; D253-L377 PolarHBondContact N-O 3.15Å; D253-D378 WeakPolarHBondContact OD1-CA 3.2Å; D253-D378 WeakPolarHBondContact OD2-CA 3.45Å; D253-N379 PolarHBondContact OD2-N 2.64Å; D253-N379 VanDerWaalsContact OD2-N 3.11Å; D253-G380 VanDerWaalsContact OD2-CA 3.23Å; D253-G380 WeakPolarHBondContact OD2-CA 3.5Å; D253-G380 PolarHBondContact OD2-N 2.95Å; D253-V475 HydrophobicContact CB-CG1 4.24Å; D253-H476 WeakPolarHBondContact CA-O 3.17Å; D253-P477 WeakPolarHBondContact OD1-CA 3.47Å; D253-R478 PolarHBondContact OD1-N 2.71Å
254M97.2Very high95.9Very high0 Ų033.9 Ų33.90%020%0.204CC..EExtended strand (participates in β ladder)trans-135.9146.6-178.6-157.5175.2-17300109.7C189 V193 F266 G267 F268 H476 L479 I480C189-M254 HydrophobicContact CB-CE 3.46Å; C189-M254 VanDerWaalsContact CB-CE 3.46Å; C189-M254 HydrophobicContact CB-SD 4.47Å; V193-M254 HydrophobicContact CG2-SD 3.77Å; M254-F266 HydrophobicContact CE-CB 3.6Å; M254-F266 HydrophobicContact CG-CB 4.39Å; M254-F266 HydrophobicContact SD-CB 3.91Å; M254-G267 WeakPolarHBondContact CG-O 3.26Å; M254-F268 HydrophobicContact CB-CE1 4.33Å; M254-F268 HydrophobicContact CE-CE2 4.2Å; M254-F268 HydrophobicContact CE-CZ 4.18Å; M254-F268 HydrophobicContact CG-CD1 4.23Å; M254-F268 HydrophobicContact CG-CE1 4Å; M254-F268 HydrophobicContact CG-CZ 4.37Å; M254-F268 HydrophobicContact SD-CE1 4.49Å; M254-F268 HydrophobicContact SD-CZ 4.36Å; M254-H476 PolarHBondContact N-O 2.87Å; M254-H476 VanDerWaalsContact N-O 3.16Å; M254-H476 WeakPolarHBondContact O-CB 3.31Å; M254-H476 PolarHBondContact O-CD2 2.97Å; M254-H476 PolarHBondContact O-N 2.82Å; M254-L479 HydrophobicContact CB-CB 3.94Å; M254-L479 HydrophobicContact CB-CD2 3.95Å; M254-L479 HydrophobicContact CB-CG 4.49Å; M254-L479 HydrophobicContact SD-CD2 4.5Å; M254-I480 HydrophobicContact SD-CG2 4.39Å
255C97.9Very high95.7Very high0 Ų034.4 Ų34.40%021%0.206CC..EExtended strand (participates in β ladder)trans-95.2140.5178.4-690000111.2F257 F266 G267 I473 R474C255-F257 HydrophobicContact CB-CD2 4.38Å; C255-F257 HydrophobicContact CB-CE1 4.37Å; C255-F257 HydrophobicContact CB-CE2 3.62Å; C255-F257 HydrophobicContact CB-CZ 3.62Å; C255-F266 CarbonylContact O-C 3.5Å; C255-F266 VanDerWaalsContact O-CA 3.26Å; C255-F266 WeakPolarHBondContact O-CA 3.49Å; C255-G267 PolarHBondContact N-O 3.3Å; C255-G267 PolarHBondContact O-N 3.15Å; C255-I473 HydrophobicContact CB-CG2 3.83Å; C255-R474 CarbonylContact C-O 3.57Å; C255-R474 WeakPolarHBondContact CA-O 3.33Å
256S97.7Very high95.6Very high13 Ų1334.3 Ų34.39%0.09121%0.205CC..EExtended strand (participates in β ladder)trans-89.5128.9158.363.40000109.2I473 R474 H476S256-I473 WeakPolarHBondContact O-CA 3.35Å; S256-R474 PolarHBondContact N-O 2.85Å; S256-R474 PolarHBondContact O-N 2.89Å; S256-R474 VanDerWaalsContact O-N 3.09Å; S256-H476 WeakPolarHBondContact CB-NE2 3.34Å; S256-H476 PolarHBondContact OG-NE2 3.03Å
257F97.3Very high95.6Very high1 Ų134 Ų340%0.00420%0.204CC..EExtended strand (participates in β ladder)trans-104119.3172-59.3-89000107.8C255 V264 R265 A270 I460 I473C255-F257 HydrophobicContact CB-CD2 4.38Å; C255-F257 HydrophobicContact CB-CE1 4.37Å; C255-F257 HydrophobicContact CB-CE2 3.62Å; C255-F257 HydrophobicContact CB-CZ 3.62Å; F257-V264 HydrophobicContact CB-CB 4.4Å; F257-V264 WeakPolarHBondContact O-CA 3.23Å; F257-V264 WeakPolarHBondContact O-CB 3.25Å; F257-V264 PolarHBondContact O-N 3.02Å; F257-R265 HydrophobicContact CB-CG 4.36Å; F257-R265 HydrophobicContact CD2-CG 4.14Å; F257-R265 WeakPolarHBondContact CD2-O 3.35Å; F257-R265 PolarHBondContact N-O 2.8Å; F257-R265 PolarHBondContact O-N 3.46Å; F257-A270 HydrophobicContact CD1-CB 4.09Å; F257-A270 HydrophobicContact CE1-CB 3.35Å; F257-A270 HydrophobicContact CZ-CB 4.04Å; F257-I460 HydrophobicContact CB-CD1 4.27Å; F257-I460 HydrophobicContact CD1-CD1 4.16Å; F257-I460 HydrophobicContact CD1-CG2 4.35Å; F257-I460 HydrophobicContact CD2-CG2 3.88Å; F257-I460 HydrophobicContact CE1-CG2 4.27Å; F257-I460 HydrophobicContact CE2-CG2 3.75Å; F257-I460 HydrophobicContact CG-CD1 4.13Å; F257-I460 HydrophobicContact CG-CG2 4.18Å; F257-I460 HydrophobicContact CZ-CG2 3.96Å; F257-I473 HydrophobicContact CD1-CB 4.44Å; F257-I473 HydrophobicContact CD1-CD1 4.07Å; F257-I473 HydrophobicContact CD1-CG1 3.76Å; F257-I473 HydrophobicContact CD1-CG2 4.05Å; F257-I473 HydrophobicContact CE1-CB 4.41Å; F257-I473 HydrophobicContact CE1-CD1 3.87Å; F257-I473 HydrophobicContact CE1-CG1 3.93Å; F257-I473 HydrophobicContact CE1-CG2 3.66Å; F257-I473 HydrophobicContact CZ-CG2 4.23Å
258S96.3Very high95.6Very high20 Ų2033.8 Ų33.814%0.1420%0.201CC..EExtended strand (participates in β ladder)trans-130.3147.4-178.459.40000110.9Q262 V471 L472S258-Q262 CarbonylContact C-O 3.49Å; S258-Q262 WeakPolarHBondContact CA-O 3.14Å; S258-Q262 VanDerWaalsContact CB-O 3.31Å; S258-Q262 WeakPolarHBondContact CB-O 3.32Å; S258-V471 CarbonylContact O-C 3.53Å; S258-V471 WeakPolarHBondContact O-CA 3.33Å; S258-L472 PolarHBondContact N-O 3.3Å; S258-L472 PolarHBondContact O-N 3.22Å; S258-L472 WeakPolarHBondContact OG-CB 3.23Å; S258-L472 PolarHBondContact OG-O 3.32Å; S258-L472 VanDerWaalsContact OG-O 3.1Å
259S95.2Very high95.5Very high14 Ų1432 Ų3210%0.09819%0.194CC..EExtended strand (participates in β ladder)trans-140.3138173.4-170.90000109.4G261 Q262 I467 E470S259-G261 PolarHBondContact O-N 3.08Å; S259-G261 VanDerWaalsContact O-N 3.17Å; S259-Q262 PolarHBondContact N-O 3.06Å; S259-Q262 PolarHBondContact O-N 2.96Å; S259-I467 WeakPolarHBondContact OG-CG2 3.37Å; S259-E470 WeakPolarHBondContact CA-O 3.47Å; S259-E470 WeakPolarHBondContact CB-O 3.39Å; S259-E470 PolarHBondContact OG-O 3.24Å
260S91.3Very high95.5Very high87 Ų8728.6 Ų28.661%0.60818%0.176SC*.THydrogen-bonded Turntrans53.735.5-179.3-42.90000113Q262 N469S260-Q262 VanDerWaalsContact C-N 3.26Å; S260-Q262 PolarHBondContact O-N 3.07Å; S260-N469 PolarHBondContact OG-ND2 3.03Å
261G88.3Confident95.6Very high81 Ų8129.1 Ų29.184%0.83518%0.179SC*.THydrogen-bonded Turntrans78-0.4-178.700000115.5S259S259-G261 PolarHBondContact O-N 3.08Å; S259-G261 VanDerWaalsContact O-N 3.17Å
262Q92.5Very high95.6Very high146 Ų14626.1 Ų26.168%0.68217%0.165SC*.EExtended strand (participates in β ladder)trans-107.2139.7179.7-64.4-173.7-10.800111.4S258 S259 S260 V264S258-Q262 CarbonylContact C-O 3.49Å; S258-Q262 WeakPolarHBondContact CA-O 3.14Å; S258-Q262 VanDerWaalsContact CB-O 3.31Å; S258-Q262 WeakPolarHBondContact CB-O 3.32Å; S259-Q262 PolarHBondContact N-O 3.06Å; S259-Q262 PolarHBondContact O-N 2.96Å; S260-Q262 VanDerWaalsContact C-N 3.26Å; S260-Q262 PolarHBondContact O-N 3.07Å; Q262-V264 PolarHBondContact O-N 3.05Å
263L94.6Very high95.6Very high72 Ų7226.1 Ų26.138%0.37717%0.165SC..EExtended strand (participates in β ladder)trans-65.3122.8171.6-178.871.9000109.5L194 F266L194-L263 HydrophobicContact CD1-CD2 4.47Å; L263-F266 HydrophobicContact CD1-CD1 4.48Å; L263-F266 HydrophobicContact CD1-CE1 4.14Å; L263-F266 HydrophobicContact CD1-CE2 4.33Å; L263-F266 HydrophobicContact CD1-CZ 4.04Å; L263-F266 HydrophobicContact CD2-CD2 4.05Å; L263-F266 HydrophobicContact CD2-CE2 3.42Å; L263-F266 VanDerWaalsContact CD2-CE2 3.42Å; L263-F266 HydrophobicContact CD2-CZ 3.72Å
264V94.6Very high95.5Very high54 Ų5427 Ų2733%0.32717%0.169SC..EExtended strand (participates in β ladder)trans-83.1-53.1170.5179.90000109.4F257 Q262 V465 I467F257-V264 HydrophobicContact CB-CB 4.4Å; F257-V264 WeakPolarHBondContact O-CA 3.23Å; F257-V264 WeakPolarHBondContact O-CB 3.25Å; F257-V264 PolarHBondContact O-N 3.02Å; Q262-V264 PolarHBondContact O-N 3.05Å; V264-V465 HydrophobicContact CG1-CG1 3.93Å; V264-I467 HydrophobicContact CG1-CD1 4.35Å; V264-I467 HydrophobicContact CG2-CD1 4.28Å
265R94.9Very high95.3Very high12 Ų1227.4 Ų27.45%0.04517%0.174CC..EExtended strand (participates in β ladder)trans-167.9167.7175.856179.1-83117.810.4111.7F257 I460 D461 E463F257-R265 HydrophobicContact CB-CG 4.36Å; F257-R265 HydrophobicContact CD2-CG 4.14Å; F257-R265 WeakPolarHBondContact CD2-O 3.35Å; F257-R265 PolarHBondContact N-O 2.8Å; F257-R265 PolarHBondContact O-N 3.46Å; R265-I460 VanDerWaalsContact CD-CG2 3.5Å; R265-I460 HydrophobicContact CG-CD1 4.38Å; R265-I460 HydrophobicContact CG-CG2 4.04Å; R265-I460 VanDerWaalsContact NE-CG2 3.3Å; R265-D461 IonicContact CZ-OD2 2.85Å; R265-D461 IonicContact NE-OD2 3.11Å; R265-D461 IonicContact NH2-OD2 2.7Å; R265-D461 PolarHBondContact NH2-OD2 2.81Å; R265-E463 IonicContact CZ-OE2 3.44Å; R265-E463 IonicContact NH1-OE2 2.7Å; R265-E463 PolarHBondContact NH1-OE2 3.38Å
266F97.3Very high95.2Very high1 Ų127.4 Ų27.40%0.00417%0.174CC..EExtended strand (participates in β ladder)trans-93.4147.9158.5-64.2-73.8000109.1H190 V193 P206 M254 C255 L263 L479H190-F266 AromaticContact ND1-CD2 3.67Å; H190-F266 PolarHBondContact ND1-N 3.14Å; V193-F266 HydrophobicContact CB-CD2 3.92Å; V193-F266 HydrophobicContact CB-CE2 4.33Å; V193-F266 HydrophobicContact CB-CG 4.24Å; V193-F266 HydrophobicContact CG1-CD1 4.02Å; V193-F266 HydrophobicContact CG1-CD2 3.56Å; V193-F266 HydrophobicContact CG1-CE1 4.04Å; V193-F266 HydrophobicContact CG1-CE2 3.59Å; V193-F266 HydrophobicContact CG1-CG 3.8Å; V193-F266 HydrophobicContact CG1-CZ 3.85Å; P206-F266 HydrophobicContact CB-CE1 3.75Å; P206-F266 HydrophobicContact CB-CZ 4.01Å; P206-F266 HydrophobicContact CG-CE1 3.6Å; P206-F266 HydrophobicContact CG-CZ 3.94Å; M254-F266 HydrophobicContact CE-CB 3.6Å; M254-F266 HydrophobicContact CG-CB 4.39Å; M254-F266 HydrophobicContact SD-CB 3.91Å; C255-F266 CarbonylContact O-C 3.5Å; C255-F266 VanDerWaalsContact O-CA 3.26Å; C255-F266 WeakPolarHBondContact O-CA 3.49Å; L263-F266 HydrophobicContact CD1-CD1 4.48Å; L263-F266 HydrophobicContact CD1-CE1 4.14Å; L263-F266 HydrophobicContact CD1-CE2 4.33Å; L263-F266 HydrophobicContact CD1-CZ 4.04Å; L263-F266 HydrophobicContact CD2-CD2 4.05Å; L263-F266 HydrophobicContact CD2-CE2 3.42Å; L263-F266 VanDerWaalsContact CD2-CE2 3.42Å; L263-F266 HydrophobicContact CD2-CZ 3.72Å; F266-L479 HydrophobicContact CD1-CD2 4.04Å; F266-L479 HydrophobicContact CE1-CD2 4.25Å
267G96.8Very high95Very high0 Ų027 Ų270%017%0.17CC..EExtended strand (participates in β ladder)trans-170.5-172.1177.500000113.6M254 C255 D461M254-G267 WeakPolarHBondContact CG-O 3.26Å; C255-G267 PolarHBondContact N-O 3.3Å; C255-G267 PolarHBondContact O-N 3.15Å; G267-D461 WeakPolarHBondContact CA-OD2 3.46Å
268F96.8Very high94.9Very high0 Ų027.5 Ų27.50%017%0.174CC..SBendtrans-112.3-26.5-178.2-55.7-80000113C189 V227 V252 D253 M254 M358 S359 I360 D461 I480C189-F268 HydrophobicContact CB-CE2 3.98Å; C189-F268 HydrophobicContact CB-CZ 4.15Å; V227-F268 HydrophobicContact CG1-CE2 4.15Å; V227-F268 HydrophobicContact CG1-CZ 4.5Å; V227-F268 HydrophobicContact CG2-CD2 3.83Å; V227-F268 HydrophobicContact CG2-CE2 4.12Å; V252-F268 HydrophobicContact CG1-CD1 4.14Å; V252-F268 HydrophobicContact CG1-CE1 3.72Å; D253-F268 WeakPolarHBondContact O-CD1 3.44Å; M254-F268 HydrophobicContact CB-CE1 4.33Å; M254-F268 HydrophobicContact CE-CE2 4.2Å; M254-F268 HydrophobicContact CE-CZ 4.18Å; M254-F268 HydrophobicContact CG-CD1 4.23Å; M254-F268 HydrophobicContact CG-CE1 4Å; M254-F268 HydrophobicContact CG-CZ 4.37Å; M254-F268 HydrophobicContact SD-CE1 4.49Å; M254-F268 HydrophobicContact SD-CZ 4.36Å; F268-M358 CarbonylContact O-C 3.46Å; F268-M358 WeakPolarHBondContact O-CA 3.27Å; F268-S359 WeakPolarHBondContact CA-OG 3.37Å; F268-S359 PolarHBondContact O-N 3.13Å; F268-S359 PolarHBondContact O-OG 3.32Å; F268-I360 HydrophobicContact CB-CD1 3.69Å; F268-I360 HydrophobicContact CB-CG1 3.88Å; F268-I360 HydrophobicContact CB-CG2 4.19Å; F268-I360 HydrophobicContact CD1-CD1 4.48Å; F268-I360 HydrophobicContact CD1-CG2 3.72Å; F268-I360 HydrophobicContact CG-CD1 4.02Å; F268-I360 HydrophobicContact CG-CG2 4.24Å; F268-D461 PolarHBondContact N-OD1 3.3Å; F268-D461 PolarHBondContact N-OD2 2.89Å; F268-D461 VanDerWaalsContact N-OD2 3.1Å; F268-I480 HydrophobicContact CE1-CG2 4.09Å; F268-I480 HydrophobicContact CZ-CG2 4.13Å
269S95.6Very high94.7Very high7 Ų727.5 Ų27.55%0.04917%0.172CC..EExtended strand (participates in β ladder)trans-144.9142.8-170.862.70000112V357 I460 D461S269-V357 CarbonylContact C-O 2.97Å; S269-V357 VanDerWaalsContact CA-O 3.28Å; S269-V357 WeakPolarHBondContact CA-O 3.23Å; S269-I460 CarbonylContact O-C 3.6Å; S269-I460 VanDerWaalsContact O-CA 3.32Å; S269-I460 WeakPolarHBondContact O-CA 3.28Å; S269-I460 WeakPolarHBondContact O-CG2 3.28Å; S269-D461 PolarHBondContact N-OD1 3.22Å; S269-D461 PolarHBondContact O-N 3.17Å; S269-D461 PolarHBondContact OG-OD1 2.91Å
270A96.6Very high94.6Very high2 Ų227.3 Ų27.32%0.01717%0.172CC..EExtended strand (participates in β ladder)trans-135.5143.2167.300000111.4F257 S356 V357 W458 N459 I460 I473F257-A270 HydrophobicContact CD1-CB 4.09Å; F257-A270 HydrophobicContact CE1-CB 3.35Å; F257-A270 HydrophobicContact CZ-CB 4.04Å; A270-S356 CarbonylContact O-C 3.17Å; A270-S356 VanDerWaalsContact O-CA 3.3Å; A270-S356 WeakPolarHBondContact O-CA 3.41Å; A270-V357 PolarHBondContact N-O 2.87Å; A270-V357 PolarHBondContact O-N 3.18Å; A270-W458 HydrophobicContact CB-CE3 4.28Å; A270-W458 HydrophobicContact CB-CZ3 4.44Å; A270-N459 CarbonylContact C-O 3.51Å; A270-N459 VanDerWaalsContact CA-O 3.22Å; A270-N459 WeakPolarHBondContact CA-O 3.21Å; A270-I460 HydrophobicContact CB-CG1 4.23Å; A270-I473 HydrophobicContact CB-CD1 4.28Å
271M96.5Very high94.7Very high36 Ų3625.2 Ų25.218%0.17715%0.15CC..EExtended strand (participates in β ladder)trans-129.7125.7171.7-63.8175.7-88.600110.2I355 M358 N459M271-I355 WeakPolarHBondContact CA-O 3.46Å; M271-M358 HydrophobicContact CG-CE 4.39Å; M271-N459 HydrophobicContact CB-CB 4.27Å; M271-N459 HydrophobicContact CE-CB 4.3Å; M271-N459 WeakPolarHBondContact CE-ND2 3.43Å; M271-N459 PolarHBondContact N-O 3.32Å; M271-N459 PolarHBondContact O-N 2.78Å
272F96.6Very high94.8Very high2 Ų221.5 Ų21.51%0.00911%0.112CC..EExtended strand (participates in β ladder)trans-114.6151.3176.1178.5-103.4000110.5E308 C310 S354 I355 I424 P426 L456 W458F272-E308 HydrophobicContact CE1-CB 3.76Å; F272-E308 HydrophobicContact CE1-CG 3.77Å; F272-E308 HydrophobicContact CZ-CB 4.13Å; F272-E308 HydrophobicContact CZ-CG 3.91Å; F272-C310 WeakPolarHBondContact CE1-SG 3.29Å; F272-S354 WeakPolarHBondContact O-CA 3.39Å; F272-I355 HydrophobicContact CB-CB 4.48Å; F272-I355 HydrophobicContact CD1-CD1 4.27Å; F272-I355 PolarHBondContact N-O 3.06Å; F272-I355 PolarHBondContact O-N 2.91Å; F272-I424 HydrophobicContact CD1-CG2 4.13Å; F272-I424 HydrophobicContact CE1-CG2 4.43Å; F272-P426 HydrophobicContact CZ-CG 4.15Å; F272-L456 HydrophobicContact CE2-CB 3.78Å; F272-L456 HydrophobicContact CE2-CD1 3.65Å; F272-L456 HydrophobicContact CE2-CG 4.36Å; F272-L456 HydrophobicContact CZ-CD1 3.59Å; F272-W458 HydrophobicContact CB-CD2 4.21Å; F272-W458 HydrophobicContact CB-CE3 3.92Å; F272-W458 HydrophobicContact CB-CH2 3.81Å; F272-W458 HydrophobicContact CB-CZ2 4.11Å; F272-W458 HydrophobicContact CB-CZ3 3.72Å; F272-W458 AromaticContact CD2-CD2 3.87Å; F272-W458 HydrophobicContact CD2-CD2 3.87Å; F272-W458 AromaticContact CD2-CE2 3.36Å; F272-W458 HydrophobicContact CD2-CE3 4.42Å; F272-W458 HydrophobicContact CD2-CG 4.38Å; F272-W458 HydrophobicContact CD2-CH2 4.08Å; F272-W458 AromaticContact CD2-CZ2 3.48Å; F272-W458 HydrophobicContact CD2-CZ2 3.48Å; F272-W458 VanDerWaalsContact CD2-CZ2 3.48Å; F272-W458 AromaticContact CD2-NE1 3.64Å; F272-W458 HydrophobicContact CE2-CZ2 4.07Å; F272-W458 AromaticContact CE2-NE1 3.93Å; F272-W458 HydrophobicContact CG-CD2 4.45Å; F272-W458 AromaticContact CG-CH2 3.99Å; F272-W458 HydrophobicContact CG-CH2 3.99Å; F272-W458 AromaticContact CG-CZ2 3.84Å; F272-W458 HydrophobicContact CG-CZ2 3.84Å; F272-W458 HydrophobicContact CG-CZ3 4.36Å
273G95.6Very high94.7Very high1 Ų116.8 Ų16.81%0.019%0.09CC..EExtended strand (participates in β ladder)trans79.6-124.8-172.300000111.9G275 G276 R277G273-G275 VanDerWaalsContact C-N 3.32Å; G273-G275 PolarHBondContact O-N 3.41Å; G273-G276 PolarHBondContact O-N 3.03Å; G273-R277 WeakPolarHBondContact O-CB 3.26Å; G273-R277 WeakPolarHBondContact O-CG 3.44Å; G273-R277 PolarHBondContact O-N 3.1Å
274F96.1Very high94.5Very high17 Ų1718.7 Ų18.78%0.07510%0.095CC..Hα-helixtrans-52.9-43.5-174.2-176.3-92.3000113.9S278 V298 T301 L302 L305 L353 F395 L399F274-S278 VanDerWaalsContact O-CB 3.29Å; F274-S278 WeakPolarHBondContact O-CB 3.38Å; F274-S278 PolarHBondContact O-N 3.13Å; F274-S278 PolarHBondContact O-OG 3.33Å; F274-V298 HydrophobicContact CZ-CG1 4.2Å; F274-T301 HydrophobicContact CD2-CG2 3.39Å; F274-T301 HydrophobicContact CE2-CG2 3.43Å; F274-T301 VanDerWaalsContact CE2-CG2 3.43Å; F274-T301 HydrophobicContact CG-CG2 4.15Å; F274-T301 HydrophobicContact CZ-CG2 4.22Å; F274-L302 HydrophobicContact CE2-CD2 3.69Å; F274-L302 HydrophobicContact CE2-CG 3.79Å; F274-L302 HydrophobicContact CZ-CD2 3.97Å; F274-L302 HydrophobicContact CZ-CG 3.85Å; F274-L305 HydrophobicContact CD2-CD1 3.77Å; F274-L305 HydrophobicContact CE2-CD1 4.27Å; F274-L353 WeakPolarHBondContact CB-O 3.36Å; F274-L353 PolarHBondContact N-O 2.69Å; F274-F395 HydrophobicContact CB-CE1 4.29Å; F274-F395 HydrophobicContact CB-CZ 3.88Å; F274-F395 HydrophobicContact CD1-CE1 4.02Å; F274-F395 AromaticContact CD1-CZ 4Å; F274-F395 HydrophobicContact CD1-CZ 4Å; F274-F395 AromaticContact CD2-CE1 3.48Å; F274-F395 HydrophobicContact CD2-CE1 3.48Å; F274-F395 VanDerWaalsContact CD2-CE1 3.48Å; F274-F395 AromaticContact CD2-CZ 3.97Å; F274-F395 HydrophobicContact CD2-CZ 3.97Å; F274-F395 HydrophobicContact CE1-CE1 4.23Å; F274-F395 AromaticContact CE2-CE1 3.73Å; F274-F395 HydrophobicContact CE2-CE1 3.73Å; F274-F395 AromaticContact CG-CE1 3.65Å; F274-F395 HydrophobicContact CG-CE1 3.65Å; F274-F395 AromaticContact CG-CZ 3.67Å; F274-F395 HydrophobicContact CG-CZ 3.67Å; F274-F395 HydrophobicContact CZ-CE1 4.1Å; F274-L399 HydrophobicContact CE1-CD1 3.93Å; F274-L399 HydrophobicContact CZ-CD1 3.93Å
275G93.9Very high94.3Very high10 Ų1018.8 Ų18.810%0.1039%0.091CC..Hα-helixtrans-65.1-47.5-179.900000113.2G273 S278 L279G273-G275 VanDerWaalsContact C-N 3.32Å; G273-G275 PolarHBondContact O-N 3.41Å; G275-S278 PolarHBondContact O-N 2.99Å; G275-L279 PolarHBondContact O-N 3.09Å
276G94.5Very high93.8Very high0 Ų026.8 Ų26.80%012%0.121CC..Hα-helixtrans-63.5-43.3175.200000112.7G273 S278 L279 A280G273-G276 PolarHBondContact O-N 3.03Å; G276-S278 PolarHBondContact O-N 3.26Å; G276-L279 PolarHBondContact O-N 3.41Å; G276-A280 WeakPolarHBondContact O-CB 3.41Å; G276-A280 PolarHBondContact O-N 3.3Å
277R94.4Very high93.2Very high5 Ų536.4 Ų36.42%0.01916%0.158CC..Hα-helixtrans-58.6-46.8174.6-78.2179.8170.9158.30.3113.1G273 L279 A280 R281 T301 R306 E308 W432G273-R277 WeakPolarHBondContact O-CB 3.26Å; G273-R277 WeakPolarHBondContact O-CG 3.44Å; G273-R277 PolarHBondContact O-N 3.1Å; R277-L279 VanDerWaalsContact C-N 3.34Å; R277-A280 PolarHBondContact O-N 3.46Å; R277-R281 PolarHBondContact O-N 3.24Å; R277-R281 VanDerWaalsContact O-N 3.11Å; R277-T301 HydrophobicContact CB-CG2 3.69Å; R277-R306 PolarHBondContact NH1-O 3.07Å; R277-R306 VanDerWaalsContact NH2-CZ 3.31Å; R277-E308 VanDerWaalsContact CZ-CD 3.4Å; R277-E308 IonicContact CZ-OE1 3.91Å; R277-E308 IonicContact CZ-OE2 2.92Å; R277-E308 IonicContact NE-OE1 2.84Å; R277-E308 IonicContact NH1-OE1 3.76Å; R277-E308 IonicContact NH1-OE2 3.06Å; R277-E308 IonicContact NH2-OE1 3.37Å; R277-E308 PolarHBondContact NH2-OE1 3.44Å; R277-E308 IonicContact NH2-OE2 3.89Å; R277-E308 PolarHBondContact NH2-OE2 3.03Å; R277-W432 HydrophobicContact CB-CH2 4.29Å; R277-W432 HydrophobicContact CG-CH2 3.05Å; R277-W432 HydrophobicContact CG-CZ2 3.99Å; R277-W432 HydrophobicContact CG-CZ3 3.54Å; R277-W432 VanDerWaalsContact NH2-CZ2 3.32Å
278S94.3Very high92.7Very high11 Ų1138.1 Ų38.18%0.07717%0.166CC..Hα-helixtrans-63-45.6179.2-61.90000109.8F274 G275 G276 A280 R281 A282 A297 T301F274-S278 VanDerWaalsContact O-CB 3.29Å; F274-S278 WeakPolarHBondContact O-CB 3.38Å; F274-S278 PolarHBondContact O-N 3.13Å; F274-S278 PolarHBondContact O-OG 3.33Å; G275-S278 PolarHBondContact O-N 2.99Å; G276-S278 PolarHBondContact O-N 3.26Å; S278-A280 PolarHBondContact O-N 2.7Å; S278-R281 PolarHBondContact O-N 2.7Å; S278-A282 PolarHBondContact O-N 3.09Å; S278-A297 VanDerWaalsContact O-CB 3.24Å; S278-A297 WeakPolarHBondContact O-CB 3.37Å; S278-T301 WeakPolarHBondContact CA-OG1 3.4Å; S278-T301 WeakPolarHBondContact OG-CB 3.46Å; S278-T301 PolarHBondContact OG-OG1 3.11Å
279L93.1Very high92Very high20 Ų2041.2 Ų41.211%0.10519%0.188CC..Hα-helixtrans-61.3-45176.9-175.360.9000112G275 G276 R277 R281 A282 E283 N459 G462 L464G275-L279 PolarHBondContact O-N 3.09Å; G276-L279 PolarHBondContact O-N 3.41Å; R277-L279 VanDerWaalsContact C-N 3.34Å; L279-R281 VanDerWaalsContact C-N 3.29Å; L279-R281 PolarHBondContact O-N 3.28Å; L279-A282 WeakPolarHBondContact O-CB 3.1Å; L279-A282 PolarHBondContact O-N 3.31Å; L279-E283 HydrophobicContact CD1-CG 4.18Å; L279-E283 HydrophobicContact CG-CG 4.27Å; L279-E283 WeakPolarHBondContact O-CG 3.45Å; L279-E283 PolarHBondContact O-N 3.05Å; L279-N459 HydrophobicContact CB-CB 4.2Å; L279-N459 HydrophobicContact CD2-CB 3.65Å; L279-N459 VanDerWaalsContact CD2-CG 3.49Å; L279-G462 WeakPolarHBondContact CD2-O 3.47Å; L279-L464 HydrophobicContact CD2-CB 4.03Å; L279-L464 HydrophobicContact CG-CB 4.24Å; L279-L464 HydrophobicContact CG-CD1 4.45Å
280A93.5Very high91.2Very high10 Ų1042.7 Ų42.78%0.08320%0.198CC..Hα-helixtrans-55.3-43.3177.200000112.6G276 R277 S278 E283 K284 P457 L464G276-A280 WeakPolarHBondContact O-CB 3.41Å; G276-A280 PolarHBondContact O-N 3.3Å; R277-A280 PolarHBondContact O-N 3.46Å; S278-A280 PolarHBondContact O-N 2.7Å; A280-E283 PolarHBondContact O-N 3.31Å; A280-K284 PolarHBondContact O-N 3.36Å; A280-P457 HydrophobicContact CB-CB 4.02Å; A280-P457 HydrophobicContact CB-CG 4.16Å; A280-L464 HydrophobicContact CB-CD1 3.88Å; A280-L464 HydrophobicContact CB-CD2 4.26Å
281R93.3Very high90.4Very high42 Ų4244.8 Ų44.816%0.15821%0.212CC..Hα-helixtrans-67.5-38.3175.2-70.6-171.1176.295.24.9112.8R277 S278 L279 A297 T301R277-R281 PolarHBondContact O-N 3.24Å; R277-R281 VanDerWaalsContact O-N 3.11Å; S278-R281 PolarHBondContact O-N 2.7Å; L279-R281 VanDerWaalsContact C-N 3.29Å; L279-R281 PolarHBondContact O-N 3.28Å; R281-A297 HydrophobicContact CB-CB 4.27Å; R281-T301 VanDerWaalsContact NH1-CA 3.34Å; R281-T301 PolarHBondContact NH1-OG1 3.34Å
282A90.7Very high89.9Confident4 Ų451.7 Ų51.73%0.03324%0.237CC..Hα-helixtrans-62.1-44.8177.100000111S278 L279 K284 K285 R293 A297S278-A282 PolarHBondContact O-N 3.09Å; L279-A282 WeakPolarHBondContact O-CB 3.1Å; L279-A282 PolarHBondContact O-N 3.31Å; A282-K284 VanDerWaalsContact C-N 3.29Å; A282-K284 PolarHBondContact O-N 3.04Å; A282-K285 CarbonylContact O-C 3.54Å; A282-K285 PolarHBondContact O-N 3.44Å; A282-R293 HydrophobicContact CB-CG 3.95Å; A282-R293 WeakPolarHBondContact O-CD 3.47Å; A282-R293 VanDerWaalsContact O-CG 3.29Å; A282-R293 WeakPolarHBondContact O-CG 3.33Å; A282-A297 HydrophobicContact CB-CB 3.73Å
283E89.3Confident89.6Confident46 Ų4653.5 Ų53.522%0.21524%0.243CC..Hα-helixtrans-62.1-34.1-177.5-72.2-59.2117.200113.1L279 A280 K285 R286 R293 L464L279-E283 HydrophobicContact CD1-CG 4.18Å; L279-E283 HydrophobicContact CG-CG 4.27Å; L279-E283 WeakPolarHBondContact O-CG 3.45Å; L279-E283 PolarHBondContact O-N 3.05Å; A280-E283 PolarHBondContact O-N 3.31Å; E283-K285 PolarHBondContact O-N 3.46Å; E283-R286 WeakPolarHBondContact O-CG 3.43Å; E283-R286 IonicContact OE1-NE 3.03Å; E283-R286 IonicContact OE1-NH2 3.37Å; E283-R286 IonicContact OE2-CZ 2.71Å; E283-R286 IonicContact OE2-NE 2.57Å; E283-R286 PolarHBondContact OE2-NE 3.48Å; E283-R286 IonicContact OE2-NH2 3.61Å; E283-R286 PolarHBondContact OE2-NH2 2.67Å; E283-R293 IonicContact OE1-NH1 3.4Å; E283-L464 HydrophobicContact CB-CD2 4.2Å; E283-L464 HydrophobicContact CG-CB 4.19Å; E283-L464 HydrophobicContact CG-CD2 4.13Å
284K90.9Very high89.1Confident113 Ų11356.2 Ų56.249%0.49125%0.253SS..THydrogen-bonded Turntrans-68-16.5174.8-68.3176.9-175.81770113.9A280 A282 E436A280-K284 PolarHBondContact O-N 3.36Å; A282-K284 VanDerWaalsContact C-N 3.29Å; A282-K284 PolarHBondContact O-N 3.04Å; K284-E436 IonicContact NZ-OE1 2.66Å; K284-E436 PolarHBondContact NZ-OE1 2.98Å; K284-E436 IonicContact NZ-OE2 2.55Å; K284-E436 PolarHBondContact NZ-OE2 3.23Å
285K90.6Very high88.8Confident55 Ų5560.1 Ų60.124%0.23927%0.272CS..THydrogen-bonded Turntrans-118.338.6-177-54-59.7177-168.10112.1A282 E283 W287 M288 Y296A282-K285 CarbonylContact O-C 3.54Å; A282-K285 PolarHBondContact O-N 3.44Å; E283-K285 PolarHBondContact O-N 3.46Å; K285-W287 PolarHBondContact O-N 3.36Å; K285-M288 HydrophobicContact CB-CE 4.11Å; K285-M288 HydrophobicContact CB-CG 4.27Å; K285-M288 HydrophobicContact CB-SD 4.06Å; K285-M288 HydrophobicContact CD-CE 4.44Å; K285-M288 HydrophobicContact CG-CE 4.2Å; K285-M288 WeakPolarHBondContact O-CB 3.23Å; K285-M288 PolarHBondContact O-N 2.91Å; K285-Y296 HydrophobicContact CD-CE1 4.45Å; K285-Y296 WeakPolarHBondContact CE-OH 3.34Å; K285-Y296 HydrophobicContact CG-CD1 4.04Å; K285-Y296 HydrophobicContact CG-CE1 3.56Å
286R84.4Confident88.7Confident181 Ų18162.4 Ų62.468%0.68328%0.278SS*.THydrogen-bonded Turntrans-56.5-17.7176.3-85.6177.1176-114.92.5115.2E283 M288E283-R286 WeakPolarHBondContact O-CG 3.43Å; E283-R286 IonicContact OE1-NE 3.03Å; E283-R286 IonicContact OE1-NH2 3.37Å; E283-R286 IonicContact OE2-CZ 2.71Å; E283-R286 IonicContact OE2-NE 2.57Å; E283-R286 PolarHBondContact OE2-NE 3.48Å; E283-R286 IonicContact OE2-NH2 3.61Å; E283-R286 PolarHBondContact OE2-NH2 2.67Å; R286-M288 PolarHBondContact O-N 2.83Å
287W84Confident88.7Confident202 Ų20262.5 Ų62.577%0.76528%0.279SS*.THydrogen-bonded Turntrans-68.3-21.3172.467.5-98000113.2K285K285-W287 PolarHBondContact O-N 3.36Å
288M86.2Confident88.6Confident36 Ų3664.9 Ų64.918%0.17729%0.294CS..SBendtrans-79.6152175-63.2-177-172.100111.4K285 R286 R293 Y296K285-M288 HydrophobicContact CB-CE 4.11Å; K285-M288 HydrophobicContact CB-CG 4.27Å; K285-M288 HydrophobicContact CB-SD 4.06Å; K285-M288 HydrophobicContact CD-CE 4.44Å; K285-M288 HydrophobicContact CG-CE 4.2Å; K285-M288 WeakPolarHBondContact O-CB 3.23Å; K285-M288 PolarHBondContact O-N 2.91Å; R286-M288 PolarHBondContact O-N 2.83Å; M288-R293 HydrophobicContact CB-CB 3.96Å; M288-Y296 HydrophobicContact CE-CD2 4.18Å; M288-Y296 HydrophobicContact CE-CE2 4.46Å; M288-Y296 HydrophobicContact CE-CG 4.24Å; M288-Y296 HydrophobicContact SD-CG 4.27Å
289S82.3Confident88.7Confident66 Ų6668 Ų6846%0.46231%0.312SS..  trans-61151.7169.968.30000111.4S291 R292 R293S289-S291 VanDerWaalsContact C-N 3.33Å; S289-S291 PolarHBondContact O-N 3.37Å; S289-R292 PolarHBondContact O-N 2.68Å; S289-R293 VanDerWaalsContact O-CB 3.22Å; S289-R293 WeakPolarHBondContact O-CB 3.13Å; S289-R293 PolarHBondContact O-N 3.02Å
290S78.6Confident88.7Confident38 Ų3870.4 Ų70.427%0.26632%0.322SS..Hα-helixtrans-53.8-42.1-174.1-65.80000114.6R293 R294S290-R293 PolarHBondContact OG-NH2 3.29Å; S290-R294 PolarHBondContact O-N 3.15Å; S290-R294 VanDerWaalsContact O-N 3.16Å; S290-R294 PolarHBondContact O-NH1 2.84Å
291S80.6Confident88.8Confident45 Ų4570 Ų7032%0.31532%0.318SS..Hα-helixtrans-63.7-55.3177.5-160.60000111.6S289 R293 R294 E295S289-S291 VanDerWaalsContact C-N 3.33Å; S289-S291 PolarHBondContact O-N 3.37Å; S291-R293 VanDerWaalsContact C-N 3.27Å; S291-R293 PolarHBondContact O-N 3.23Å; S291-R294 PolarHBondContact O-N 3.39Å; S291-R294 VanDerWaalsContact O-N 3.11Å; S291-E295 WeakPolarHBondContact O-CG 3.46Å; S291-E295 PolarHBondContact O-N 3.11Å; S291-E295 PolarHBondContact OG-OE1 3.35Å
292R85.9Confident88.9Confident181 Ų18169.2 Ų69.268%0.68332%0.317SS*.Hα-helixtrans-60.1-39.1-178.9-70.2-176.2178.2-179.7-0.7112S289 E295 Y296S289-R292 PolarHBondContact O-N 2.68Å; R292-E295 PolarHBondContact O-N 3.16Å; R292-Y296 VanDerWaalsContact O-CB 3.23Å; R292-Y296 WeakPolarHBondContact O-CB 3.4Å; R292-Y296 PolarHBondContact O-N 2.7Å
293R88.6Confident89.1Confident40 Ų4071.7 Ų71.715%0.15134%0.337CS..Hα-helixtrans-60.9-43.9177.3-176.7175.752.990.22111.8A282 E283 M288 S289 S290 S291 A297A282-R293 HydrophobicContact CB-CG 3.95Å; A282-R293 WeakPolarHBondContact O-CD 3.47Å; A282-R293 VanDerWaalsContact O-CG 3.29Å; A282-R293 WeakPolarHBondContact O-CG 3.33Å; E283-R293 IonicContact OE1-NH1 3.4Å; M288-R293 HydrophobicContact CB-CB 3.96Å; S289-R293 VanDerWaalsContact O-CB 3.22Å; S289-R293 WeakPolarHBondContact O-CB 3.13Å; S289-R293 PolarHBondContact O-N 3.02Å; S290-R293 PolarHBondContact OG-NH2 3.29Å; S291-R293 VanDerWaalsContact C-N 3.27Å; S291-R293 PolarHBondContact O-N 3.23Å; R293-A297 VanDerWaalsContact O-CB 3.27Å; R293-A297 WeakPolarHBondContact O-CB 3.49Å; R293-A297 PolarHBondContact O-N 3.04Å
294R86.5Confident89.2Confident58 Ų5873 Ų7322%0.21934%0.34CS..Hα-helixtrans-66.9-47.4175.8-77.4-164.6-53.8-75.86112G222 S290 S291 Y296 A297 V298 H366G222-R294 VanDerWaalsContact CA-NH2 3.29Å; G222-R294 PolarHBondContact O-NH1 2.86Å; G222-R294 PolarHBondContact O-NH2 2.95Å; S290-R294 PolarHBondContact O-N 3.15Å; S290-R294 VanDerWaalsContact O-N 3.16Å; S290-R294 PolarHBondContact O-NH1 2.84Å; S291-R294 PolarHBondContact O-N 3.39Å; S291-R294 VanDerWaalsContact O-N 3.11Å; R294-Y296 PolarHBondContact O-N 3.47Å; R294-A297 PolarHBondContact O-N 3.33Å; R294-V298 WeakPolarHBondContact O-CG2 3.46Å; R294-V298 PolarHBondContact O-N 3.32Å; R294-H366 PolarHBondContact NH2-NE2 3.24Å
295E89.1Confident89.4Confident100 Ų10069.3 Ų69.347%0.46733%0.325SS..Hα-helixtrans-57.3-49.3177.7-71.2159.8-14000110.9S291 R292 A297 V298 V299S291-E295 WeakPolarHBondContact O-CG 3.46Å; S291-E295 PolarHBondContact O-N 3.11Å; S291-E295 PolarHBondContact OG-OE1 3.35Å; R292-E295 PolarHBondContact O-N 3.16Å; E295-A297 VanDerWaalsContact C-N 3.34Å; E295-A297 PolarHBondContact O-N 3.37Å; E295-V298 PolarHBondContact O-N 3.34Å; E295-V299 WeakPolarHBondContact O-CB 3.45Å; E295-V299 VanDerWaalsContact O-CG2 3.29Å; E295-V299 WeakPolarHBondContact O-CG2 3.3Å; E295-V299 PolarHBondContact O-N 2.94Å
296Y93.1Very high89.5Confident58 Ų5869.1 Ų69.123%0.22732%0.323CS..Hα-helixtrans-54.3-49.4174.6169.4-93.4000111.8K285 M288 R292 R294 V299 K300K285-Y296 HydrophobicContact CD-CE1 4.45Å; K285-Y296 WeakPolarHBondContact CE-OH 3.34Å; K285-Y296 HydrophobicContact CG-CD1 4.04Å; K285-Y296 HydrophobicContact CG-CE1 3.56Å; M288-Y296 HydrophobicContact CE-CD2 4.18Å; M288-Y296 HydrophobicContact CE-CE2 4.46Å; M288-Y296 HydrophobicContact CE-CG 4.24Å; M288-Y296 HydrophobicContact SD-CG 4.27Å; R292-Y296 VanDerWaalsContact O-CB 3.23Å; R292-Y296 WeakPolarHBondContact O-CB 3.4Å; R292-Y296 PolarHBondContact O-N 2.7Å; R294-Y296 PolarHBondContact O-N 3.47Å; Y296-V299 PolarHBondContact O-N 3.25Å; Y296-K300 HydrophobicContact CD2-CG 4.06Å; Y296-K300 HydrophobicContact CE1-CG 4.18Å; Y296-K300 HydrophobicContact CE2-CD 4.3Å; Y296-K300 HydrophobicContact CE2-CG 3.7Å; Y296-K300 HydrophobicContact CG-CG 4.47Å; Y296-K300 VanDerWaalsContact O-CB 3.3Å; Y296-K300 WeakPolarHBondContact O-CB 3.25Å; Y296-K300 WeakPolarHBondContact O-CG 3.25Å; Y296-K300 PolarHBondContact O-N 2.98Å
297A93.2Very high89.9Confident2 Ų262.2 Ų62.22%0.01730%0.302CS..Hα-helixtrans-62.8-44.8-17800000113S278 R281 A282 R293 R294 E295 T301S278-A297 VanDerWaalsContact O-CB 3.24Å; S278-A297 WeakPolarHBondContact O-CB 3.37Å; R281-A297 HydrophobicContact CB-CB 4.27Å; A282-A297 HydrophobicContact CB-CB 3.73Å; R293-A297 VanDerWaalsContact O-CB 3.27Å; R293-A297 WeakPolarHBondContact O-CB 3.49Å; R293-A297 PolarHBondContact O-N 3.04Å; R294-A297 PolarHBondContact O-N 3.33Å; E295-A297 VanDerWaalsContact C-N 3.34Å; E295-A297 PolarHBondContact O-N 3.37Å; A297-T301 VanDerWaalsContact O-CB 3.29Å; A297-T301 WeakPolarHBondContact O-CB 3.5Å; A297-T301 PolarHBondContact O-N 3.11Å; A297-T301 PolarHBondContact O-OG1 2.86Å
298V93.4Very high90.4Very high55 Ų5553.6 Ų53.633%0.33327%0.27SS..Hα-helixtrans-63.3-50.2177.6169.60000110.1F274 R294 E295 K300 T301 L302F274-V298 HydrophobicContact CZ-CG1 4.2Å; R294-V298 WeakPolarHBondContact O-CG2 3.46Å; R294-V298 PolarHBondContact O-N 3.32Å; E295-V298 PolarHBondContact O-N 3.34Å; V298-K300 PolarHBondContact O-N 2.82Å; V298-T301 PolarHBondContact O-N 2.94Å; V298-L302 HydrophobicContact CG1-CD1 3.93Å; V298-L302 HydrophobicContact CG1-CG 4.5Å; V298-L302 WeakPolarHBondContact O-CG 3.25Å; V298-L302 PolarHBondContact O-N 3.27Å
299V94.6Very high90.8Very high77 Ų7754.2 Ų54.247%0.46727%0.274SS..Hα-helixtrans-61.6-46.5-179171.20000111.5E295 Y296 T301 L302 A303E295-V299 WeakPolarHBondContact O-CB 3.45Å; E295-V299 VanDerWaalsContact O-CG2 3.29Å; E295-V299 WeakPolarHBondContact O-CG2 3.3Å; E295-V299 PolarHBondContact O-N 2.94Å; Y296-V299 PolarHBondContact O-N 3.25Å; V299-T301 VanDerWaalsContact C-N 3.31Å; V299-T301 PolarHBondContact O-N 3Å; V299-L302 PolarHBondContact O-N 3.01Å; V299-A303 PolarHBondContact O-N 3.09Å
300K94.4Very high91.3Very high70 Ų7051 Ų5130%0.30425%0.252SS..Hα-helixtrans-64.8-36.1178.3-76.7-73.9-170.5160.10112.1Y296 V298 A303 R304 D439Y296-K300 HydrophobicContact CD2-CG 4.06Å; Y296-K300 HydrophobicContact CE1-CG 4.18Å; Y296-K300 HydrophobicContact CE2-CD 4.3Å; Y296-K300 HydrophobicContact CE2-CG 3.7Å; Y296-K300 HydrophobicContact CG-CG 4.47Å; Y296-K300 VanDerWaalsContact O-CB 3.3Å; Y296-K300 WeakPolarHBondContact O-CB 3.25Å; Y296-K300 WeakPolarHBondContact O-CG 3.25Å; Y296-K300 PolarHBondContact O-N 2.98Å; V298-K300 PolarHBondContact O-N 2.82Å; K300-A303 PolarHBondContact O-N 3.46Å; K300-R304 PolarHBondContact O-N 3.36Å; K300-D439 IonicContact NZ-OD2 2.82Å
301T95.3Very high92.2Very high2 Ų251.8 Ų51.81%0.01225%0.251CS..Hα-helixtrans-70.4-37.3175.9-53.90000112F274 R277 S278 R281 A297 V298 V299 R304 L305F274-T301 HydrophobicContact CD2-CG2 3.39Å; F274-T301 HydrophobicContact CE2-CG2 3.43Å; F274-T301 VanDerWaalsContact CE2-CG2 3.43Å; F274-T301 HydrophobicContact CG-CG2 4.15Å; F274-T301 HydrophobicContact CZ-CG2 4.22Å; R277-T301 HydrophobicContact CB-CG2 3.69Å; S278-T301 WeakPolarHBondContact CA-OG1 3.4Å; S278-T301 WeakPolarHBondContact OG-CB 3.46Å; S278-T301 PolarHBondContact OG-OG1 3.11Å; R281-T301 VanDerWaalsContact NH1-CA 3.34Å; R281-T301 PolarHBondContact NH1-OG1 3.34Å; A297-T301 VanDerWaalsContact O-CB 3.29Å; A297-T301 WeakPolarHBondContact O-CB 3.5Å; A297-T301 PolarHBondContact O-N 3.11Å; A297-T301 PolarHBondContact O-OG1 2.86Å; V298-T301 PolarHBondContact O-N 2.94Å; V299-T301 VanDerWaalsContact C-N 3.31Å; V299-T301 PolarHBondContact O-N 3Å; T301-R304 CarbonylContact O-C 3.5Å; T301-R304 PolarHBondContact O-N 3.44Å; T301-L305 WeakPolarHBondContact O-CA 3.17Å; T301-L305 PolarHBondContact O-N 3Å
302L95.9Very high93Very high25 Ų2549.7 Ų49.713%0.13124%0.236CC..Hα-helixtrans-65.2-41173.2-74.5169.8000112.3F274 V298 V299 R304 L305 R392 F395 I396 L399F274-L302 HydrophobicContact CE2-CD2 3.69Å; F274-L302 HydrophobicContact CE2-CG 3.79Å; F274-L302 HydrophobicContact CZ-CD2 3.97Å; F274-L302 HydrophobicContact CZ-CG 3.85Å; V298-L302 HydrophobicContact CG1-CD1 3.93Å; V298-L302 HydrophobicContact CG1-CG 4.5Å; V298-L302 WeakPolarHBondContact O-CG 3.25Å; V298-L302 PolarHBondContact O-N 3.27Å; V299-L302 PolarHBondContact O-N 3.01Å; L302-R304 PolarHBondContact O-N 3.04Å; L302-L305 WeakPolarHBondContact O-CB 3.26Å; L302-L305 PolarHBondContact O-N 3.19Å; L302-R392 WeakPolarHBondContact O-CD 3.32Å; L302-R392 PolarHBondContact O-NE 3.39Å; L302-F395 HydrophobicContact CD2-CD1 3.73Å; L302-F395 HydrophobicContact CD2-CE1 4.03Å; L302-I396 HydrophobicContact CD1-CD1 4.45Å; L302-I396 HydrophobicContact CD1-CG1 4.05Å; L302-I396 HydrophobicContact CD2-CG1 3.83Å; L302-L399 HydrophobicContact CD2-CD1 4.01Å
303A94.7Very high93.5Very high55 Ų5541.7 Ų41.746%0.45521%0.208SC..Hα-helixtrans-58.8-36.317700000111.7V299 K300 R392V299-A303 PolarHBondContact O-N 3.09Å; K300-A303 PolarHBondContact O-N 3.46Å; A303-R392 PolarHBondContact O-NH2 3.4Å
304R91.5Very high94Very high75 Ų7539.9 Ų39.928%0.28320%0.202SC..THydrogen-bonded Turntrans-109.841.6176.2-58.5-174.2-179.6-164.3-0.7112.1K300 T301 L302 R306 E435 E438K300-R304 PolarHBondContact O-N 3.36Å; T301-R304 CarbonylContact O-C 3.5Å; T301-R304 PolarHBondContact O-N 3.44Å; L302-R304 PolarHBondContact O-N 3.04Å; R304-R306 PolarHBondContact O-N 3.47Å; R304-E435 PolarHBondContact NH1-O 3.33Å; R304-E438 IonicContact NH2-OE2 3.95Å
305L94.3Very high94.5Very high34 Ų3437.8 Ų37.818%0.17819%0.194CC..  trans-62.8120.7179.8-173.869.8000109.9F274 T301 L302 L353 R392 F395F274-L305 HydrophobicContact CD2-CD1 3.77Å; F274-L305 HydrophobicContact CE2-CD1 4.27Å; T301-L305 WeakPolarHBondContact O-CA 3.17Å; T301-L305 PolarHBondContact O-N 3Å; L302-L305 WeakPolarHBondContact O-CB 3.26Å; L302-L305 PolarHBondContact O-N 3.19Å; L305-L353 HydrophobicContact CD1-CD2 3.81Å; L305-L353 HydrophobicContact CD2-CD1 4.11Å; L305-L353 HydrophobicContact CD2-CD2 4.14Å; L305-L353 HydrophobicContact CG-CD2 3.71Å; L305-R392 HydrophobicContact CD2-CB 4.07Å; L305-R392 HydrophobicContact CD2-CG 4.24Å; L305-F395 HydrophobicContact CD1-CD1 3.76Å; L305-F395 HydrophobicContact CD1-CE1 3.84Å; L305-F395 HydrophobicContact CD1-CG 4.43Å; L305-F395 HydrophobicContact CD2-CB 3.96Å; L305-F395 HydrophobicContact CD2-CD1 3.96Å; L305-F395 HydrophobicContact CD2-CG 4.13Å
306R91.9Very high94.7Very high52 Ų5235.8 Ų35.820%0.19619%0.19CC..  trans-144.9138.1176.873.4-169.7-174.3167.88.1109.5R277 R304 E435R277-R306 PolarHBondContact NH1-O 3.07Å; R277-R306 VanDerWaalsContact NH2-CZ 3.31Å; R304-R306 PolarHBondContact O-N 3.47Å; R306-E435 IonicContact CZ-OE2 3.6Å; R306-E435 IonicContact NH1-OE1 3.59Å; R306-E435 PolarHBondContact NH1-OE1 2.86Å; R306-E435 IonicContact NH1-OE2 3.5Å; R306-E435 PolarHBondContact NH1-OE2 3.44Å
307P94.5Very high94.6Very high35 Ų3534.4 Ų34.423%0.22719%0.191CC..  trans-78.1162.2175.733.5-36.2000111.6L351 Y352 L353 N389P307-L351 HydrophobicContact CB-CB 3.88Å; P307-L351 HydrophobicContact CG-CB 4.07Å; P307-L351 HydrophobicContact CG-CD1 4.37Å; P307-L351 HydrophobicContact CG-CD2 4.31Å; P307-L351 HydrophobicContact CG-CG 4.5Å; P307-Y352 CarbonylContact C-O 3.49Å; P307-Y352 VanDerWaalsContact CA-O 3.27Å; P307-Y352 WeakPolarHBondContact CA-O 3.28Å; P307-L353 HydrophobicContact CB-CD2 3.95Å; P307-L353 HydrophobicContact CB-CG 4.45Å; P307-N389 HydrophobicContact CB-CB 4.48Å
308E93.4Very high94.1Very high21 Ų2143.6 Ų43.610%0.09823%0.23CC..EExtended strand (participates in β ladder)trans-105.8133171.9-56.4-71.7-144.700109.7F272 R277 C310 L351 Y352 W432F272-E308 HydrophobicContact CE1-CB 3.76Å; F272-E308 HydrophobicContact CE1-CG 3.77Å; F272-E308 HydrophobicContact CZ-CB 4.13Å; F272-E308 HydrophobicContact CZ-CG 3.91Å; R277-E308 VanDerWaalsContact CZ-CD 3.4Å; R277-E308 IonicContact CZ-OE1 3.91Å; R277-E308 IonicContact CZ-OE2 2.92Å; R277-E308 IonicContact NE-OE1 2.84Å; R277-E308 IonicContact NH1-OE1 3.76Å; R277-E308 IonicContact NH1-OE2 3.06Å; R277-E308 IonicContact NH2-OE1 3.37Å; R277-E308 PolarHBondContact NH2-OE1 3.44Å; R277-E308 IonicContact NH2-OE2 3.89Å; R277-E308 PolarHBondContact NH2-OE2 3.03Å; E308-C310 PolarHBondContact O-N 3.2Å; E308-L351 WeakPolarHBondContact O-CA 3.43Å; E308-Y352 PolarHBondContact N-O 3.2Å; E308-Y352 PolarHBondContact O-N 2.99Å; E308-W432 VanDerWaalsContact OE1-CZ2 3.27Å; E308-W432 WeakPolarHBondContact OE1-CZ2 3.4Å
309D93.9Very high92.4Very high49 Ų4945.7 Ų45.726%0.26225%0.248SC..EExtended strand (participates in β ladder)trans-78.2112.1170.8-178.48.9000109.8L351 R427D309-L351 HydrophobicContact CB-CD2 3.83Å; D309-R427 HydrophobicContact CB-CB 4.5Å; D309-R427 PolarHBondContact O-N 3.44Å
310C94.3Very high90.1Very high0 Ų046.7 Ų46.70%026%0.258CS..EExtended strand (participates in β ladder)trans-132.8147-175.1-57.40000111.7F272 E308 G350 Y352 I355 R425F272-C310 WeakPolarHBondContact CE1-SG 3.29Å; E308-C310 PolarHBondContact O-N 3.2Å; C310-G350 PolarHBondContact N-O 2.84Å; C310-G350 PolarHBondContact O-N 3.03Å; C310-G350 VanDerWaalsContact O-N 3.07Å; C310-Y352 HydrophobicContact CB-CD2 4.03Å; C310-Y352 HydrophobicContact CB-CE2 4.42Å; C310-I355 HydrophobicContact CB-CD1 4.4Å; C310-R425 WeakPolarHBondContact CA-O 3.39Å
311Q96.5Very high87.3Confident53 Ų5352.1 Ų52.125%0.24828%0.284CS..EExtended strand (participates in β ladder)trans-91.1118.6154.5179.8173.148.100108T347 Q349 R425Q311-T347 HydrophobicContact CG-CG2 3.67Å; Q311-Q349 HydrophobicContact CB-CG 4.14Å; Q311-Q349 HydrophobicContact CG-CG 4.08Å; Q311-R425 HydrophobicContact CB-CB 4.3Å; Q311-R425 PolarHBondContact N-O 2.95Å; Q311-R425 PolarHBondContact O-N 3.4Å
312L97.4Very high84.5Confident1 Ų157.2 Ų57.21%0.00532%0.32CS..EExtended strand (participates in β ladder)trans-108.5115.3177.3174.462.9000108.1F314 T347 N348 Y352 I355 L384 A386 V422 I424L312-F314 HydrophobicContact CG-CD1 4.46Å; L312-T347 WeakPolarHBondContact O-CA 3.33Å; L312-N348 PolarHBondContact N-O 2.82Å; L312-N348 PolarHBondContact O-N 3.44Å; L312-Y352 HydrophobicContact CB-CE2 4.27Å; L312-Y352 HydrophobicContact CD2-CE1 4.29Å; L312-I355 HydrophobicContact CD1-CG2 4.3Å; L312-L384 HydrophobicContact CD1-CD1 4.23Å; L312-L384 HydrophobicContact CD1-CD2 4.36Å; L312-L384 HydrophobicContact CD2-CD1 4.46Å; L312-L384 HydrophobicContact CD2-CD2 4.3Å; L312-A386 HydrophobicContact CD2-CB 3.81Å; L312-V422 HydrophobicContact CD1-CG1 3.56Å; L312-I424 HydrophobicContact CD1-CG1 3.86Å
313S97.9Very high81.6Confident13 Ų1360.8 Ų60.89%0.09135%0.347CS..EExtended strand (participates in β ladder)trans-115.7143.3172.8-53.70000110.1M346 T347 V422 R423S313-M346 CarbonylContact C-O 3.57Å; S313-M346 WeakPolarHBondContact CA-O 3.14Å; S313-T347 WeakPolarHBondContact CB-OG1 3.24Å; S313-T347 VanDerWaalsContact OG-CG2 3.3Å; S313-T347 WeakPolarHBondContact OG-CG2 3.43Å; S313-T347 PolarHBondContact OG-OG1 3.1Å; S313-V422 CarbonylContact O-C 3.54Å; S313-V422 WeakPolarHBondContact O-CA 3.24Å; S313-R423 PolarHBondContact N-O 3.41Å; S313-R423 PolarHBondContact O-N 3.25Å
314F97.6Very high78.8Confident3 Ų365.7 Ų65.71%0.01337%0.365CS..EExtended strand (participates in β ladder)trans-149.6154.417761.2-84.8000113.1L312 M346 L384 H417 V419 A421 V422L312-F314 HydrophobicContact CG-CD1 4.46Å; F314-M346 HydrophobicContact CD2-CE 3.89Å; F314-M346 HydrophobicContact CE1-CB 4.38Å; F314-M346 HydrophobicContact CE2-CB 4.47Å; F314-M346 HydrophobicContact CE2-CE 3.12Å; F314-M346 HydrophobicContact CZ-CB 4.28Å; F314-M346 HydrophobicContact CZ-CE 3.56Å; F314-M346 PolarHBondContact N-O 3.03Å; F314-M346 PolarHBondContact O-N 2.85Å; F314-L384 HydrophobicContact CB-CD2 3.83Å; F314-L384 HydrophobicContact CD1-CD2 3.63Å; F314-L384 HydrophobicContact CD2-CD2 4.17Å; F314-L384 HydrophobicContact CE1-CD2 4.17Å; F314-L384 HydrophobicContact CG-CD2 3.63Å; F314-H417 HydrophobicContact CD2-CB 4.33Å; F314-H417 HydrophobicContact CE2-CB 3.8Å; F314-H417 AromaticContact CE2-CD2 3.82Å; F314-H417 AromaticContact CE2-CG 3.5Å; F314-H417 AromaticContact CE2-ND1 3.76Å; F314-H417 HydrophobicContact CZ-CB 4.37Å; F314-H417 AromaticContact CZ-CD2 3.47Å; F314-H417 VanDerWaalsContact CZ-CD2 3.47Å; F314-H417 WeakPolarHBondContact CZ-CD2 3.36Å; F314-H417 AromaticContact CZ-CE1 3.76Å; F314-H417 AromaticContact CZ-CG 3.63Å; F314-H417 AromaticContact CZ-ND1 3.8Å; F314-H417 AromaticContact CZ-NE2 3.56Å; F314-V419 HydrophobicContact CB-CG1 4.03Å; F314-V419 HydrophobicContact CD2-CG1 3.53Å; F314-V419 HydrophobicContact CE2-CG1 4.28Å; F314-V419 HydrophobicContact CG-CG1 4.1Å; F314-A421 CarbonylContact C-O 3.49Å; F314-A421 VanDerWaalsContact CA-O 3.27Å; F314-A421 WeakPolarHBondContact CA-O 3.15Å; F314-A421 WeakPolarHBondContact CB-O 3.31Å; F314-V422 HydrophobicContact CB-CG1 4.47Å; F314-V422 HydrophobicContact CB-CG2 4.19Å
315L97.1Very high76Confident13 Ų1371.8 Ų71.87%0.06839%0.394CS..EExtended strand (participates in β ladder)trans-102.2117.4170.4-67.7176.4000108.5E343 S344 W345 V419 S420 A421L315-E343 HydrophobicContact CD1-CB 4.07Å; L315-E343 HydrophobicContact CD1-CG 3.96Å; L315-E343 HydrophobicContact CD2-CB 4.01Å; L315-S344 WeakPolarHBondContact CD2-O 3.29Å; L315-W345 HydrophobicContact CD1-CD2 4.34Å; L315-W345 HydrophobicContact CD1-CH2 4.2Å; L315-W345 HydrophobicContact CD1-CZ2 3.61Å; L315-W345 HydrophobicContact CD2-CB 4.37Å; L315-W345 HydrophobicContact CD2-CD2 3.83Å; L315-W345 HydrophobicContact CD2-CE3 4.43Å; L315-W345 HydrophobicContact CD2-CG 3.78Å; L315-W345 HydrophobicContact CG-CD2 3.73Å; L315-W345 HydrophobicContact CG-CE3 4.01Å; L315-W345 HydrophobicContact CG-CG 4.24Å; L315-W345 HydrophobicContact CG-CH2 4.1Å; L315-W345 HydrophobicContact CG-CZ2 3.8Å; L315-W345 HydrophobicContact CG-CZ3 4.19Å; L315-V419 CarbonylContact O-C 3.45Å; L315-V419 WeakPolarHBondContact O-CA 3.45Å; L315-V419 VanDerWaalsContact O-CB 3.3Å; L315-V419 WeakPolarHBondContact O-CB 3.43Å; L315-S420 WeakPolarHBondContact CB-OG 3.19Å; L315-S420 PolarHBondContact O-N 3.34Å; L315-S420 PolarHBondContact O-OG 3.16Å; L315-A421 HydrophobicContact CB-CB 4.26Å; L315-A421 HydrophobicContact CD1-CB 4.01Å; L315-A421 HydrophobicContact CG-CB 4.35Å; L315-A421 PolarHBondContact N-O 3.21Å
316P94.7Very high72.9Confident59 Ų5973.9 Ų73.938%0.38342%0.423SS..EExtended strand (participates in β ladder)trans-61.5148.8174.618.7-22.5000110.9M346 S418P316-M346 HydrophobicContact CB-CE 4.23Å; P316-M346 HydrophobicContact CG-CE 3.75Å; P316-S418 WeakPolarHBondContact CA-O 3.47Å
317A90Very high70.2Confident28 Ų2880.9 Ų80.923%0.23146%0.458CS..PPolyproline II helixtrans-66.4140.9173.100000109.4S319 S418A317-S319 PolarHBondContact O-N 3.05Å; A317-S418 VanDerWaalsContact CB-OG 3.25Å; A317-S418 WeakPolarHBondContact CB-OG 3.46Å; A317-S418 PolarHBondContact N-O 3.43Å
318K82Confident67.2Low195 Ų19588.5 Ų88.585%0.84849%0.491SS*.PPolyproline II helixtrans-69.2125173.1-65.4-179-179.3178.30107.6S320K318-S320 PolarHBondContact O-N 3.49Å
319S57.9Low64.3Low100 Ų10094.6 Ų94.670%0.69952%0.524SS*.PPolyproline II helixtrans-64.6116.6174.447.60000109.3A317 E321A317-S319 PolarHBondContact O-N 3.05Å; S319-E321 PolarHBondContact O-N 3.08Å
320S47Very low61.4Low97 Ų97101.4 Ų101.468%0.67855%0.554SS**  trans-77.269169.458.90000109.7K318 S322K318-S320 PolarHBondContact O-N 3.49Å; S320-S322 VanDerWaalsContact C-N 3.25Å; S320-S322 PolarHBondContact O-N 2.78Å
321E36.3Very low58.7Low184 Ų184105 Ų10586%0.8659%0.591SS**  trans-88.727.3171.6-80.2-163157.900112.9S319S319-E321 PolarHBondContact O-N 3.08Å
322S34.9Very low55.6Low109 Ų109110.4 Ų110.476%0.76262%0.617SS**  trans-12016.1-177.660.70000115.8S320S320-S322 VanDerWaalsContact C-N 3.25Å; S320-S322 PolarHBondContact O-N 2.78Å
323S35Very low52.7Low101 Ų101118.7 Ų118.771%0.70666%0.661SS**SBendtrans-110.211.6177.750.40000115.4
324L36.3Very low49.6Very low158 Ų158126.2 Ų126.283%0.82769%0.692SS**SBendtrans-98.81.7175.5-79.5173.5000115.7
325F33.9Very low46.6Very low203 Ų203134.7 Ų134.789%0.8973%0.732SS**SBendtrans-143.2116.2170.1-79.7-81.2000112.2
326G28.8Very low43.7Very low77 Ų77141 Ų14179%0.79476%0.764SS**  trans120.379.3157.800000115.6Q328G326-Q328 PolarHBondContact O-N 3.27Å
327Q34.8Very low40.8Very low199 Ų199145.1 Ų145.193%0.9378%0.784SS**  trans-62.4113.1142.2-84.1178.6-23.700107.6
328Q30.6Very low38.3Very low195 Ų195149.4 Ų149.491%0.91181%0.807SS**  trans-155127.2138.9-113.1169.718.500110.8G326G326-Q328 PolarHBondContact O-N 3.27Å
329D34.3Very low36.2Very low150 Ų150148.5 Ų148.580%0.80281%0.806SS**  trans-63.2124.3178-157.810.1000110.8
330Q32.1Very low35.6Very low191 Ų191149.2 Ų149.289%0.89381%0.811SS**  trans-175.5123.3140.9-104.8163.584.400110.1
331G37.5Very low35.8Very low75 Ų75148.4 Ų148.477%0.77381%0.81SS**  trans-68.7137.9174.900000111.9
332E31.3Very low37.1Very low168 Ų168148.8 Ų148.879%0.78581%0.812SS**  trans-156.4120.1153.4-103.9174.3-169.500105.9K334E332-K334 PolarHBondContact O-N 3.29Å
333D36.6Very low39.4Very low175 Ų175147.9 Ų147.994%0.93680%0.795SS**  trans-58.498.3170.6-71.5-43.7000108.6
334K32.5Very low41.9Very low171 Ų171147.8 Ų147.874%0.74380%0.795SS**  trans-95.899.2162.7-78.1-173.5177.9178.20107.7E332 L336E332-K334 PolarHBondContact O-N 3.29Å; K334-L336 PolarHBondContact O-N 3.14Å
335E35.6Very low44.8Very low180 Ų180142.4 Ų142.484%0.84176%0.763SS**  trans-48.2108.1153.4-74.1-178.7151.200107.3D337E335-D337 VanDerWaalsContact C-N 3.27Å; E335-D337 PolarHBondContact O-N 2.67Å
336L36.4Very low47.7Very low145 Ų145136.5 Ų136.576%0.75974%0.74SS**  trans-80.686.3176-148.988.2000106.5K334 T338K334-L336 PolarHBondContact O-N 3.14Å; L336-T338 VanDerWaalsContact C-N 3.3Å; L336-T338 PolarHBondContact O-N 2.91Å; L336-T338 PolarHBondContact O-OG1 3.25Å; L336-T338 VanDerWaalsContact O-OG1 3.07Å
337D33.4Very low50.9Low147 Ų147136 Ų13679%0.78672%0.721SS**  trans-50.3100.2162.2-86-28.1000107.9E335 E339E335-D337 VanDerWaalsContact C-N 3.27Å; E335-D337 PolarHBondContact O-N 2.67Å; D337-E339 PolarHBondContact O-N 2.83Å
338T36.6Very low53.8Low118 Ų118129.3 Ų129.372%0.72469%0.692SS**  trans-86.374.5178.8-47.30000106.8L336 S340L336-T338 VanDerWaalsContact C-N 3.3Å; L336-T338 PolarHBondContact O-N 2.91Å; L336-T338 PolarHBondContact O-OG1 3.25Å; L336-T338 VanDerWaalsContact O-OG1 3.07Å; T338-S340 PolarHBondContact O-N 2.94Å
339E39.3Very low56.8Low176 Ų176125.5 Ų125.582%0.82267%0.674SS**  trans-52.1130.9159.8-76.2-172.3154.600108D337 A341D337-E339 PolarHBondContact O-N 2.83Å; E339-A341 PolarHBondContact O-N 3.3Å
340S44.4Very low59.7Low114 Ų114119.5 Ų119.580%0.79765%0.648SS**  trans-58.688.4-172.354.40000112T338 E342T338-S340 PolarHBondContact O-N 2.94Å; S340-E342 PolarHBondContact O-N 3.49Å
341A52.2Low62.8Low80 Ų80114.3 Ų114.366%0.66163%0.626SS**  trans-57.6119.9160.400000107.5E339 E343E339-A341 PolarHBondContact O-N 3.3Å; A341-E343 PolarHBondContact O-N 3.01Å
342E62.3Low65.6Low192 Ų192111.5 Ų111.590%0.89759%0.592SS**  trans-53.3115.5179.8-68.9-176158.900109.8S340 S344S340-E342 PolarHBondContact O-N 3.49Å; E342-S344 PolarHBondContact O-N 3.06Å
343E82.5Confident68.7Low90 Ų90103.6 Ų103.642%0.42156%0.555SS.*  trans-64105.7175.6-72.9-173.3162.700109L315 A341 W345 R474L315-E343 HydrophobicContact CD1-CB 4.07Å; L315-E343 HydrophobicContact CD1-CG 3.96Å; L315-E343 HydrophobicContact CD2-CB 4.01Å; A341-E343 PolarHBondContact O-N 3.01Å; E343-W345 PolarHBondContact O-N 3.01Å; E343-W345 VanDerWaalsContact O-N 3.17Å; E343-W345 PolarHBondContact OE2-NE1 3.31Å; E343-R474 IonicContact OE1-CZ 3.06Å; E343-R474 IonicContact OE1-NH1 2.89Å; E343-R474 PolarHBondContact OE1-NH1 2.89Å; E343-R474 IonicContact OE1-NH2 2.61Å; E343-R474 PolarHBondContact OE1-NH2 3.18Å; E343-R474 IonicContact OE2-NH2 3.93Å; E343-R474 PolarHBondContact OE2-NH2 2.88Å
344S89.2Confident71.6Confident99 Ų9995.9 Ų95.969%0.69251%0.514SS*.  trans-83.191.6177.9-172.30000111.3L315 E342L315-S344 WeakPolarHBondContact CD2-O 3.29Å; E342-S344 PolarHBondContact O-N 3.06Å
345W95.6Very high74.7Confident46 Ų4687.8 Ų87.817%0.17448%0.479CS..  trans-74.9121.3178.8-7483.8000111.9L315 E343 A421 R423 L472L315-W345 HydrophobicContact CD1-CD2 4.34Å; L315-W345 HydrophobicContact CD1-CH2 4.2Å; L315-W345 HydrophobicContact CD1-CZ2 3.61Å; L315-W345 HydrophobicContact CD2-CB 4.37Å; L315-W345 HydrophobicContact CD2-CD2 3.83Å; L315-W345 HydrophobicContact CD2-CE3 4.43Å; L315-W345 HydrophobicContact CD2-CG 3.78Å; L315-W345 HydrophobicContact CG-CD2 3.73Å; L315-W345 HydrophobicContact CG-CE3 4.01Å; L315-W345 HydrophobicContact CG-CG 4.24Å; L315-W345 HydrophobicContact CG-CH2 4.1Å; L315-W345 HydrophobicContact CG-CZ2 3.8Å; L315-W345 HydrophobicContact CG-CZ3 4.19Å; E343-W345 PolarHBondContact O-N 3.01Å; E343-W345 VanDerWaalsContact O-N 3.17Å; E343-W345 PolarHBondContact OE2-NE1 3.31Å; W345-A421 HydrophobicContact CH2-CB 3.57Å; W345-A421 HydrophobicContact CZ2-CB 4.14Å; W345-A421 HydrophobicContact CZ3-CB 4.32Å; W345-R423 HydrophobicContact CH2-CG 3.77Å; W345-R423 VanDerWaalsContact CZ2-CZ 3.48Å; W345-R423 HydrophobicContact CZ3-CB 4.23Å; W345-R423 HydrophobicContact CZ3-CG 3.75Å; W345-L472 HydrophobicContact CH2-CD1 3.82Å; W345-L472 HydrophobicContact CZ2-CD1 4.38Å
346M95.5Very high77.7Confident79 Ų7979.6 Ų79.639%0.38944%0.442SS..EExtended strand (participates in β ladder)trans-82.2130.9168.5-61.5-166.7-59.200109S313 F314 P316S313-M346 CarbonylContact C-O 3.57Å; S313-M346 WeakPolarHBondContact CA-O 3.14Å; F314-M346 HydrophobicContact CD2-CE 3.89Å; F314-M346 HydrophobicContact CE1-CB 4.38Å; F314-M346 HydrophobicContact CE2-CB 4.47Å; F314-M346 HydrophobicContact CE2-CE 3.12Å; F314-M346 HydrophobicContact CZ-CB 4.28Å; F314-M346 HydrophobicContact CZ-CE 3.56Å; F314-M346 PolarHBondContact N-O 3.03Å; F314-M346 PolarHBondContact O-N 2.85Å; P316-M346 HydrophobicContact CB-CE 4.23Å; P316-M346 HydrophobicContact CG-CE 3.75Å
347T96.3Very high80.6Confident65 Ų6572.8 Ų72.840%0.39941%0.406SS..EExtended strand (participates in β ladder)trans-130.5122.4-172.9-61.90000111.7Q311 L312 S313Q311-T347 HydrophobicContact CG-CG2 3.67Å; L312-T347 WeakPolarHBondContact O-CA 3.33Å; S313-T347 WeakPolarHBondContact CB-OG1 3.24Å; S313-T347 VanDerWaalsContact OG-CG2 3.3Å; S313-T347 WeakPolarHBondContact OG-CG2 3.43Å; S313-T347 PolarHBondContact OG-OG1 3.1Å
348N94.8Very high83.6Confident60 Ų6066 Ų6632%0.32137%0.37SS..EExtended strand (participates in β ladder)trans-116.2146.5175.8-62.2-16.1000109.4L312L312-N348 PolarHBondContact N-O 2.82Å; L312-N348 PolarHBondContact O-N 3.44Å
349Q95Very high86.5Confident115 Ų11560.3 Ų60.354%0.53734%0.335SS..EExtended strand (participates in β ladder)trans-121.5134.6172.4-68.1-177.1-2.100108.6Q311 R427Q311-Q349 HydrophobicContact CB-CG 4.14Å; Q311-Q349 HydrophobicContact CG-CG 4.08Å; Q349-R427 VanDerWaalsContact OE1-NH1 3.12Å
350G94.5Very high89.1Confident24 Ų2452 Ų5225%0.24730%0.296CS..EExtended strand (participates in β ladder)trans179.4178.7-177.500000114.5C310 Y352C310-G350 PolarHBondContact N-O 2.84Å; C310-G350 PolarHBondContact O-N 3.03Å; C310-G350 VanDerWaalsContact O-N 3.07Å; G350-Y352 WeakPolarHBondContact O-CD2 3.26Å
351L96.2Very high91.4Very high82 Ų8247.4 Ų47.443%0.42926%0.263SS..EExtended strand (participates in β ladder)trans-93.6118.2175.2-69.6176.3000109.1P307 E308 D309 G388 N389P307-L351 HydrophobicContact CB-CB 3.88Å; P307-L351 HydrophobicContact CG-CB 4.07Å; P307-L351 HydrophobicContact CG-CD1 4.37Å; P307-L351 HydrophobicContact CG-CD2 4.31Å; P307-L351 HydrophobicContact CG-CG 4.5Å; E308-L351 WeakPolarHBondContact O-CA 3.43Å; D309-L351 HydrophobicContact CB-CD2 3.83Å; L351-G388 CarbonylContact O-C 3.53Å; L351-G388 WeakPolarHBondContact O-CA 3.15Å; L351-N389 HydrophobicContact CB-CB 3.95Å; L351-N389 PolarHBondContact O-N 3.38Å
352Y96.9Very high93.3Very high16 Ų1643.7 Ų43.76%0.06323%0.233CC..EExtended strand (participates in β ladder)trans-117.2127.9-177.9-62.7-83.8000111.4P307 E308 C310 L312 G350 I355 A386 V387P307-Y352 CarbonylContact C-O 3.49Å; P307-Y352 VanDerWaalsContact CA-O 3.27Å; P307-Y352 WeakPolarHBondContact CA-O 3.28Å; E308-Y352 PolarHBondContact N-O 3.2Å; E308-Y352 PolarHBondContact O-N 2.99Å; C310-Y352 HydrophobicContact CB-CD2 4.03Å; C310-Y352 HydrophobicContact CB-CE2 4.42Å; L312-Y352 HydrophobicContact CB-CE2 4.27Å; L312-Y352 HydrophobicContact CD2-CE1 4.29Å; G350-Y352 WeakPolarHBondContact O-CD2 3.26Å; Y352-I355 HydrophobicContact CD1-CD1 4.42Å; Y352-I355 HydrophobicContact CD1-CG1 4.2Å; Y352-I355 HydrophobicContact CD2-CD1 3.93Å; Y352-I355 HydrophobicContact CD2-CG1 4.5Å; Y352-I355 HydrophobicContact CG-CD1 3.83Å; Y352-I355 HydrophobicContact CG-CG1 3.9Å; Y352-A386 HydrophobicContact CD1-CB 4.1Å; Y352-A386 HydrophobicContact CE1-CB 3.84Å; Y352-V387 CarbonylContact C-O 3.51Å; Y352-V387 VanDerWaalsContact CA-O 3.31Å; Y352-V387 WeakPolarHBondContact CA-O 3.34Å
353L97.1Very high94.5Very high2 Ų234.9 Ų34.91%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-73.7-35.5170.6-70.3177.1000111.6F274 L305 P307 V387 A390 F395F274-L353 WeakPolarHBondContact CB-O 3.36Å; F274-L353 PolarHBondContact N-O 2.69Å; L305-L353 HydrophobicContact CD1-CD2 3.81Å; L305-L353 HydrophobicContact CD2-CD1 4.11Å; L305-L353 HydrophobicContact CD2-CD2 4.14Å; L305-L353 HydrophobicContact CG-CD2 3.71Å; P307-L353 HydrophobicContact CB-CD2 3.95Å; P307-L353 HydrophobicContact CB-CG 4.45Å; L353-V387 HydrophobicContact CB-CG1 4.45Å; L353-V387 PolarHBondContact N-O 3.4Å; L353-A390 HydrophobicContact CD1-CB 3.99Å; L353-F395 HydrophobicContact CB-CD2 4.19Å; L353-F395 HydrophobicContact CB-CE2 3.95Å; L353-F395 HydrophobicContact CB-CZ 4.5Å; L353-F395 HydrophobicContact CD1-CB 4.05Å; L353-F395 HydrophobicContact CD1-CD2 3.6Å; L353-F395 HydrophobicContact CD1-CE2 4.23Å; L353-F395 HydrophobicContact CD1-CG 3.87Å
354S97Very high94.7Very high12 Ų1231 Ų318%0.08417%0.174CC..EExtended strand (participates in β ladder)trans-152.1138.6179.5-165.30000109.9F272 V387F272-S354 WeakPolarHBondContact O-CA 3.39Å; S354-V387 PolarHBondContact N-O 3Å; S354-V387 PolarHBondContact O-N 3.42Å
355I97.9Very high94.1Very high2 Ų227 Ų271%0.0115%0.146CC..EExtended strand (participates in β ladder)trans-126.3123.5167-55.8174.6000106.7M271 F272 C310 L312 Y352 L384 I385 I424M271-I355 WeakPolarHBondContact CA-O 3.46Å; F272-I355 HydrophobicContact CB-CB 4.48Å; F272-I355 HydrophobicContact CD1-CD1 4.27Å; F272-I355 PolarHBondContact N-O 3.06Å; F272-I355 PolarHBondContact O-N 2.91Å; C310-I355 HydrophobicContact CB-CD1 4.4Å; L312-I355 HydrophobicContact CD1-CG2 4.3Å; Y352-I355 HydrophobicContact CD1-CD1 4.42Å; Y352-I355 HydrophobicContact CD1-CG1 4.2Å; Y352-I355 HydrophobicContact CD2-CD1 3.93Å; Y352-I355 HydrophobicContact CD2-CG1 4.5Å; Y352-I355 HydrophobicContact CG-CD1 3.83Å; Y352-I355 HydrophobicContact CG-CG1 3.9Å; I355-L384 HydrophobicContact CG2-CD1 3.78Å; I355-I385 WeakPolarHBondContact CA-O 3.5Å; I355-I424 HydrophobicContact CB-CD1 4.3Å; I355-I424 HydrophobicContact CD1-CG2 4.17Å; I355-I424 HydrophobicContact CG2-CD1 3.6Å; I355-I424 HydrophobicContact CG2-CG1 4.41Å
356S97.7Very high93.3Very high8 Ų828.2 Ų28.26%0.05615%0.154CC..EExtended strand (participates in β ladder)trans-122.8137.3179.9-53.10000110.4A270 L384 I385A270-S356 CarbonylContact O-C 3.17Å; A270-S356 VanDerWaalsContact O-CA 3.3Å; A270-S356 WeakPolarHBondContact O-CA 3.41Å; S356-L384 CarbonylContact O-C 3.56Å; S356-L384 WeakPolarHBondContact O-CA 3.45Å; S356-I385 PolarHBondContact N-O 3.17Å; S356-I385 PolarHBondContact O-N 3.22Å
357V98Very high92.8Very high2 Ų224.6 Ų24.61%0.01214%0.136CC..EExtended strand (participates in β ladder)trans-127.2122.8174-176.20000108S269 A270 A382 S383 L384 V422 I473S269-V357 CarbonylContact C-O 2.97Å; S269-V357 VanDerWaalsContact CA-O 3.28Å; S269-V357 WeakPolarHBondContact CA-O 3.23Å; A270-V357 PolarHBondContact N-O 2.87Å; A270-V357 PolarHBondContact O-N 3.18Å; V357-A382 HydrophobicContact CG1-CB 3.96Å; V357-S383 VanDerWaalsContact CA-O 3.32Å; V357-S383 WeakPolarHBondContact CA-O 3.49Å; V357-L384 HydrophobicContact CG2-CD1 3.89Å; V357-V422 HydrophobicContact CG1-CG2 4.23Å; V357-V422 HydrophobicContact CG2-CB 4.25Å; V357-V422 HydrophobicContact CG2-CG1 4.25Å; V357-V422 HydrophobicContact CG2-CG2 3.97Å; V357-I473 HydrophobicContact CB-CD1 3.98Å; V357-I473 HydrophobicContact CG1-CD1 4.37Å; V357-I473 HydrophobicContact CG1-CG2 4.05Å; V357-I473 HydrophobicContact CG2-CD1 3.81Å
358M97Very high91.9Very high3 Ų322.7 Ų22.72%0.01513%0.125CC..EExtended strand (participates in β ladder)trans-137.4119.9-173.1-51.9-173.8-172.400110.5F268 M271 I360 C362 L371 A372 A382 S383F268-M358 CarbonylContact O-C 3.46Å; F268-M358 WeakPolarHBondContact O-CA 3.27Å; M271-M358 HydrophobicContact CG-CE 4.39Å; M358-I360 VanDerWaalsContact C-N 3.33Å; M358-C362 HydrophobicContact SD-CB 3.98Å; M358-C362 VanDerWaalsContact SD-SG 3.69Å; M358-L371 HydrophobicContact CE-CB 3.51Å; M358-L371 HydrophobicContact CE-CD1 3.8Å; M358-L371 HydrophobicContact CE-CG 4.29Å; M358-L371 HydrophobicContact SD-CB 3.41Å; M358-L371 WeakPolarHBondContact SD-CB 3.32Å; M358-L371 HydrophobicContact SD-CD1 4.36Å; M358-A372 HydrophobicContact CB-CB 3.79Å; M358-A372 HydrophobicContact CG-CB 4.26Å; M358-A372 HydrophobicContact SD-CB 3.79Å; M358-A382 CarbonylContact O-C 3.6Å; M358-A382 VanDerWaalsContact O-CA 3.23Å; M358-A382 WeakPolarHBondContact O-CA 3.18Å; M358-A382 WeakPolarHBondContact O-CB 3.36Å; M358-S383 PolarHBondContact N-O 3.28Å; M358-S383 PolarHBondContact O-N 3.04Å
359S96.1Very high91.4Very high0 Ų022.4 Ų22.40%012%0.121CC..SBendtrans-90.31.8174.968.60000113.4D253 F268D253-S359 PolarHBondContact O-OG 3.25Å; D253-S359 VanDerWaalsContact O-OG 3.11Å; F268-S359 WeakPolarHBondContact CA-OG 3.37Å; F268-S359 PolarHBondContact O-N 3.13Å; F268-S359 PolarHBondContact O-OG 3.32Å
360I94.6Very high91.1Very high2 Ų216.9 Ų16.91%0.0110%0.096CC..SBendtrans-134.8161.9174.566175.5000108.6V227 V252 F268 M358 C362 L377V227-I360 HydrophobicContact CB-CD1 4.5Å; V227-I360 HydrophobicContact CG2-CD1 4.08Å; V252-I360 HydrophobicContact CG1-CG2 3.77Å; F268-I360 HydrophobicContact CB-CD1 3.69Å; F268-I360 HydrophobicContact CB-CG1 3.88Å; F268-I360 HydrophobicContact CB-CG2 4.19Å; F268-I360 HydrophobicContact CD1-CD1 4.48Å; F268-I360 HydrophobicContact CD1-CG2 3.72Å; F268-I360 HydrophobicContact CG-CD1 4.02Å; F268-I360 HydrophobicContact CG-CG2 4.24Å; M358-I360 VanDerWaalsContact C-N 3.33Å; I360-C362 PolarHBondContact O-N 2.96Å; I360-C362 VanDerWaalsContact O-N 3.07Å; I360-L377 HydrophobicContact CB-CD2 3.83Å; I360-L377 HydrophobicContact CG2-CD2 3.66Å
361P92.5Very high90.9Very high16 Ų1618 Ų1810%0.10410%0.096CC..  trans-60.9-21.1-179.7-13.716.6000115L363 G370 L371 A372 T375P361-L363 HydrophobicContact CB-CD2 4.02Å; P361-L363 HydrophobicContact CB-CG 4.06Å; P361-G370 CarbonylContact O-C 3.49Å; P361-G370 VanDerWaalsContact O-CA 3.23Å; P361-G370 WeakPolarHBondContact O-CA 3.33Å; P361-L371 PolarHBondContact O-N 2.85Å; P361-A372 WeakPolarHBondContact CA-O 3.47Å; P361-A372 PolarHBondContact O-N 3.18Å; P361-T375 VanDerWaalsContact CG-O 3.32Å; P361-T375 WeakPolarHBondContact CG-O 3.44Å
362C91.7Very high90.6Very high2 Ų214 Ų141%0.0148%0.075CC..  trans54.751.2-174.1-64.70000112.2V226 S230 M358 I360 G370 L371V226-C362 HydrophobicContact CB-CB 4.39Å; S230-C362 PolarHBondContact OG-N 2.78Å; S230-C362 VanDerWaalsContact OG-N 3.08Å; M358-C362 HydrophobicContact SD-CB 3.98Å; M358-C362 VanDerWaalsContact SD-SG 3.69Å; I360-C362 PolarHBondContact O-N 2.96Å; I360-C362 VanDerWaalsContact O-N 3.07Å; C362-G370 WeakPolarHBondContact O-CA 3.25Å; C362-L371 HydrophobicContact CB-CB 4.11Å; C362-L371 HydrophobicContact CB-CD1 4.41Å; C362-L371 HydrophobicContact CB-CG 4.4Å; C362-L371 PolarHBondContact O-N 3.45Å
363L89.3Confident90.1Very high8 Ų815.3 Ų15.34%0.0429%0.085CC..  trans-63.4143.2177.5-61.2-176.2000109.8V226 C229 S230 P361 Q369 V487 A490V226-L363 WeakPolarHBondContact CA-O 3.24Å; C229-L363 HydrophobicContact CB-CB 3.8Å; C229-L363 WeakPolarHBondContact CB-O 3.43Å; S230-L363 PolarHBondContact OG-N 3.05Å; P361-L363 HydrophobicContact CB-CD2 4.02Å; P361-L363 HydrophobicContact CB-CG 4.06Å; L363-Q369 VanDerWaalsContact CD2-C 3.48Å; L363-V487 HydrophobicContact CD1-CG1 4.1Å; L363-A490 HydrophobicContact CB-CB 4Å; L363-A490 HydrophobicContact CD1-CB 3.94Å; L363-A490 HydrophobicContact CG-CB 4.42Å
364S85.1Confident89.6Confident7 Ų721.4 Ų21.45%0.04912%0.118CC..BIsolated β-bridgetrans-158.3166.7169.476.50000110.5T224 H366 A367 P368T224-S364 WeakPolarHBondContact O-CB 3.42Å; S364-H366 PolarHBondContact O-N 3.43Å; S364-H366 PolarHBondContact OG-N 3.11Å; S364-A367 PolarHBondContact N-O 2.7Å; S364-A367 CarbonylContact O-C 3.59Å; S364-A367 PolarHBondContact O-N 3.39Å; S364-A367 PolarHBondContact OG-N 3Å; S364-A367 VanDerWaalsContact OG-N 3.13Å; S364-P368 WeakPolarHBondContact O-CA 3.46Å
365P78Confident89.2Confident16 Ų1621.2 Ų21.210%0.10412%0.116CC..THydrogen-bonded Turntrans-61.8-18.2173.4-13.121.8000114R235 V494R235-P365 VanDerWaalsContact NE-CG 3.33Å; P365-V494 HydrophobicContact CB-CG2 3.94Å
366H79.2Confident88.9Confident72 Ų7223.5 Ų23.533%0.33313%0.133SC..THydrogen-bonded Turntrans-93.3-12.3177.4-61.7-61.2000112.7R294 S364R294-H366 PolarHBondContact NH2-NE2 3.24Å; S364-H366 PolarHBondContact O-N 3.43Å; S364-H366 PolarHBondContact OG-N 3.11Å
367A83.6Confident88.7Confident2 Ų223.8 Ų23.82%0.01713%0.133CC..BIsolated β-bridgetrans-145.379.1176.200000107.4S364 Q369 G370 L371S364-A367 PolarHBondContact N-O 2.7Å; S364-A367 CarbonylContact O-C 3.59Å; S364-A367 PolarHBondContact O-N 3.39Å; S364-A367 PolarHBondContact OG-N 3Å; S364-A367 VanDerWaalsContact OG-N 3.13Å; A367-Q369 PolarHBondContact O-N 3.44Å; A367-G370 WeakPolarHBondContact O-CA 3.46Å; A367-G370 PolarHBondContact O-N 3.1Å; A367-L371 HydrophobicContact CB-CD2 4Å; A367-L371 HydrophobicContact CB-CG 4.37Å
368P78.4Confident88.5Confident25 Ų2525.8 Ų25.816%0.16214%0.144CC..THydrogen-bonded Turntrans-66.6-26.3-169.725.2-34000113.3S364 G370 A490S364-P368 WeakPolarHBondContact O-CA 3.46Å; P368-G370 VanDerWaalsContact C-N 3.33Å; P368-A490 PolarHBondContact O-N 2.92Å
369Q83.8Confident88.2Confident54 Ų5429.1 Ų29.125%0.25216%0.162SC..THydrogen-bonded Turntrans-89.1-3171-63.2-63.4-31.900112.2L363 A367 P373 E489L363-Q369 VanDerWaalsContact CD2-C 3.48Å; A367-Q369 PolarHBondContact O-N 3.44Å; Q369-P373 WeakPolarHBondContact O-CA 3.49Å; Q369-P373 VanDerWaalsContact O-CB 3.26Å; Q369-P373 WeakPolarHBondContact O-CB 3.17Å; Q369-E489 PolarHBondContact NE2-OE1 3.31Å
370G87.9Confident88.1Confident0 Ų030.1 Ų30.10%017%0.172CC..  trans84.4163.7-176.600000114P361 C362 A367 P368 A372P361-G370 CarbonylContact O-C 3.49Å; P361-G370 VanDerWaalsContact O-CA 3.23Å; P361-G370 WeakPolarHBondContact O-CA 3.33Å; C362-G370 WeakPolarHBondContact O-CA 3.25Å; A367-G370 WeakPolarHBondContact O-CA 3.46Å; A367-G370 PolarHBondContact O-N 3.1Å; P368-G370 VanDerWaalsContact C-N 3.33Å; G370-A372 VanDerWaalsContact C-N 3.26Å
371L90Very high88.1Confident46 Ų4630.3 Ų30.324%0.24117%0.173CC..SBendtrans-75.9-20.6172.1-61.9176.9000111.5M358 P361 C362 A367 I385 Y402M358-L371 HydrophobicContact CE-CB 3.51Å; M358-L371 HydrophobicContact CE-CD1 3.8Å; M358-L371 HydrophobicContact CE-CG 4.29Å; M358-L371 HydrophobicContact SD-CB 3.41Å; M358-L371 WeakPolarHBondContact SD-CB 3.32Å; M358-L371 HydrophobicContact SD-CD1 4.36Å; P361-L371 PolarHBondContact O-N 2.85Å; C362-L371 HydrophobicContact CB-CB 4.11Å; C362-L371 HydrophobicContact CB-CD1 4.41Å; C362-L371 HydrophobicContact CB-CG 4.4Å; C362-L371 PolarHBondContact O-N 3.45Å; A367-L371 HydrophobicContact CB-CD2 4Å; A367-L371 HydrophobicContact CB-CG 4.37Å; L371-I385 WeakPolarHBondContact O-CD1 3.29Å; L371-Y402 HydrophobicContact CB-CE1 4.41Å; L371-Y402 HydrophobicContact CD2-CD1 3.58Å; L371-Y402 HydrophobicContact CD2-CE1 3.87Å; L371-Y402 HydrophobicContact CD2-CG 4.05Å
372A90.8Very high88.3Confident0 Ų029.6 Ų29.60%017%0.169CC..SBendtrans-135.165.617900000111.7M358 P361 G370 N374 T375 I385M358-A372 HydrophobicContact CB-CB 3.79Å; M358-A372 HydrophobicContact CG-CB 4.26Å; M358-A372 HydrophobicContact SD-CB 3.79Å; P361-A372 WeakPolarHBondContact CA-O 3.47Å; P361-A372 PolarHBondContact O-N 3.18Å; G370-A372 VanDerWaalsContact C-N 3.26Å; A372-N374 PolarHBondContact O-N 2.86Å; A372-T375 VanDerWaalsContact CB-OG1 3.28Å; A372-T375 WeakPolarHBondContact CB-OG1 3.42Å; A372-T375 VanDerWaalsContact O-CB 3.26Å; A372-T375 WeakPolarHBondContact O-CB 3.24Å; A372-T375 PolarHBondContact O-N 3.42Å; A372-T375 PolarHBondContact O-OG1 2.75Å; A372-I385 HydrophobicContact CB-CD1 4.44Å
373P86.9Confident88.6Confident42 Ų4230.1 Ų30.127%0.27317%0.173SC..THydrogen-bonded Turntrans-56.9-27.3-170.421.6-35.2000114.8Q369 T375 Q408 F409Q369-P373 WeakPolarHBondContact O-CA 3.49Å; Q369-P373 VanDerWaalsContact O-CB 3.26Å; Q369-P373 WeakPolarHBondContact O-CB 3.17Å; P373-T375 VanDerWaalsContact C-N 3.26Å; P373-T375 PolarHBondContact O-N 3.48Å; P373-Q408 VanDerWaalsContact CG-NE2 3.32Å; P373-F409 HydrophobicContact CG-CE2 3.86Å; P373-F409 HydrophobicContact CG-CZ 4.33Å
374N85.4Confident89Confident130 Ų13029.7 Ų29.770%0.69517%0.171SC*.THydrogen-bonded Turntrans-89.811.9-177.9-57-30.2000112.9A372A372-N374 PolarHBondContact O-N 2.86Å
375T90.1Very high89.5Confident8 Ų829.4 Ų29.45%0.04917%0.169CC..  trans-100.3127.3-178.9-46.10000109.2P361 A372 P373 S383P361-T375 VanDerWaalsContact CG-O 3.32Å; P361-T375 WeakPolarHBondContact CG-O 3.44Å; A372-T375 VanDerWaalsContact CB-OG1 3.28Å; A372-T375 WeakPolarHBondContact CB-OG1 3.42Å; A372-T375 VanDerWaalsContact O-CB 3.26Å; A372-T375 WeakPolarHBondContact O-CB 3.24Å; A372-T375 PolarHBondContact O-N 3.42Å; A372-T375 PolarHBondContact O-OG1 2.75Å; P373-T375 VanDerWaalsContact C-N 3.26Å; P373-T375 PolarHBondContact O-N 3.48Å; T375-S383 VanDerWaalsContact OG1-CB 3.32Å; T375-S383 WeakPolarHBondContact OG1-CB 3.46Å
376S91.2Very high90.5Very high51 Ų5128.8 Ų28.836%0.35716%0.164SC..  trans-89.8162.9170.4-52.20000110.1D378S376-D378 VanDerWaalsContact C-N 3.34Å
377L92.8Very high91.3Very high13 Ų1325.4 Ų25.47%0.06815%0.149CC..SBendtrans-72.6-24.5178.9-65.6178.5000113.2Q250 V252 D253 I360Q250-L377 HydrophobicContact CG-CD1 3.69Å; V252-L377 CarbonylContact C-O 3.32Å; V252-L377 VanDerWaalsContact CA-O 3.25Å; V252-L377 WeakPolarHBondContact CA-O 3.27Å; V252-L377 HydrophobicContact CG1-CB 4.4Å; V252-L377 HydrophobicContact CG1-CD2 4.26Å; V252-L377 HydrophobicContact CG2-CB 4.36Å; V252-L377 HydrophobicContact CG2-CD1 4.48Å; D253-L377 PolarHBondContact N-O 3.15Å; I360-L377 HydrophobicContact CB-CD2 3.83Å; I360-L377 HydrophobicContact CG2-CD2 3.66Å
378D93.2Very high92Very high45 Ų4526 Ų2624%0.24116%0.156CC..SBendtrans-139.621.4-166.178.6-42.3000115.4D253 S376 G380 R478D253-D378 WeakPolarHBondContact OD1-CA 3.2Å; D253-D378 WeakPolarHBondContact OD2-CA 3.45Å; S376-D378 VanDerWaalsContact C-N 3.34Å; D378-G380 VanDerWaalsContact C-N 3.32Å; D378-G380 PolarHBondContact O-N 2.89Å; D378-R478 HydrophobicContact CB-CG 4.01Å; D378-R478 PolarHBondContact O-NE 2.81Å; D378-R478 IonicContact OD2-CZ 3.1Å; D378-R478 IonicContact OD2-NE 3.59Å; D378-R478 PolarHBondContact OD2-NE 3.11Å; D378-R478 IonicContact OD2-NH2 2.81Å; D378-R478 PolarHBondContact OD2-NH2 2.95Å
379N91.1Very high92.8Very high72 Ų7229.2 Ų29.239%0.38517%0.171SC..SBendtrans-87.94.8-174.272.65.9000114.4D253 S381D253-N379 PolarHBondContact OD2-N 2.64Å; D253-N379 VanDerWaalsContact OD2-N 3.11Å; N379-S381 VanDerWaalsContact C-N 3.33Å; N379-S381 VanDerWaalsContact CG-OG 3.3Å; N379-S381 PolarHBondContact ND2-OG 3.22Å; N379-S381 WeakPolarHBondContact OD1-CB 3.39Å; N379-S381 PolarHBondContact OD1-N 2.64Å; N379-S381 PolarHBondContact OD1-O 3.2Å; N379-S381 PolarHBondContact OD1-OG 3.37Å
380G93.9Very high93.4Very high21 Ų2127.6 Ų27.622%0.21617%0.167CC..SBendtrans72.121.1-17900000114.4D253 D378D253-G380 VanDerWaalsContact OD2-CA 3.23Å; D253-G380 WeakPolarHBondContact OD2-CA 3.5Å; D253-G380 PolarHBondContact OD2-N 2.95Å; D378-G380 VanDerWaalsContact C-N 3.32Å; D378-G380 PolarHBondContact O-N 2.89Å
381S95.4Very high93.8Very high6 Ų630.5 Ų30.54%0.04219%0.187CC..  trans-136.5159.8-177.577.90000113.1N379 S418 V419N379-S381 VanDerWaalsContact C-N 3.33Å; N379-S381 VanDerWaalsContact CG-OG 3.3Å; N379-S381 PolarHBondContact ND2-OG 3.22Å; N379-S381 WeakPolarHBondContact OD1-CB 3.39Å; N379-S381 PolarHBondContact OD1-N 2.64Å; N379-S381 PolarHBondContact OD1-O 3.2Å; N379-S381 PolarHBondContact OD1-OG 3.37Å; S381-S418 VanDerWaalsContact CB-OG 3.25Å; S381-S418 WeakPolarHBondContact CB-OG 3.45Å; S381-S418 PolarHBondContact OG-OG 2.71Å; S381-V419 WeakPolarHBondContact CA-O 3.21Å
382A97Very high94Very high1 Ų134.5 Ų34.51%0.00820%0.199CC..EExtended strand (participates in β ladder)trans-119154168.100000109.9V357 M358 S418 V419 V475V357-A382 HydrophobicContact CG1-CB 3.96Å; M358-A382 CarbonylContact O-C 3.6Å; M358-A382 VanDerWaalsContact O-CA 3.23Å; M358-A382 WeakPolarHBondContact O-CA 3.18Å; M358-A382 WeakPolarHBondContact O-CB 3.36Å; A382-S418 WeakPolarHBondContact O-CA 3.37Å; A382-V419 HydrophobicContact CB-CG2 4.26Å; A382-V419 PolarHBondContact N-O 2.87Å; A382-V419 WeakPolarHBondContact O-CG2 3.43Å; A382-V419 PolarHBondContact O-N 2.89Å; A382-V475 HydrophobicContact CB-CG2 3.49Å; A382-V475 VanDerWaalsContact CB-CG2 3.49Å
383S97.1Very high94.2Very high13 Ų1337.8 Ų37.89%0.09122%0.223CC..EExtended strand (participates in β ladder)trans-84.7120.7166.3-170.90000109.9V357 M358 T375V357-S383 VanDerWaalsContact CA-O 3.32Å; V357-S383 WeakPolarHBondContact CA-O 3.49Å; M358-S383 PolarHBondContact N-O 3.28Å; M358-S383 PolarHBondContact O-N 3.04Å; T375-S383 VanDerWaalsContact OG1-CB 3.32Å; T375-S383 WeakPolarHBondContact OG1-CB 3.46Å
384L97.7Very high94.6Very high0 Ų038.7 Ų38.70%022%0.223CC..EExtended strand (participates in β ladder)trans-92.3120.2164.5168.962.6000108.2L312 F314 I355 S356 V357 T416 H417 V419 V422L312-L384 HydrophobicContact CD1-CD1 4.23Å; L312-L384 HydrophobicContact CD1-CD2 4.36Å; L312-L384 HydrophobicContact CD2-CD1 4.46Å; L312-L384 HydrophobicContact CD2-CD2 4.3Å; F314-L384 HydrophobicContact CB-CD2 3.83Å; F314-L384 HydrophobicContact CD1-CD2 3.63Å; F314-L384 HydrophobicContact CD2-CD2 4.17Å; F314-L384 HydrophobicContact CE1-CD2 4.17Å; F314-L384 HydrophobicContact CG-CD2 3.63Å; I355-L384 HydrophobicContact CG2-CD1 3.78Å; S356-L384 CarbonylContact O-C 3.56Å; S356-L384 WeakPolarHBondContact O-CA 3.45Å; V357-L384 HydrophobicContact CG2-CD1 3.89Å; L384-T416 CarbonylContact O-C 3.57Å; L384-T416 VanDerWaalsContact O-CA 3.23Å; L384-T416 WeakPolarHBondContact O-CA 3.35Å; L384-H417 HydrophobicContact CB-CB 4.38Å; L384-H417 PolarHBondContact N-O 2.86Å; L384-H417 PolarHBondContact O-N 3.41Å; L384-V419 HydrophobicContact CB-CG1 3.88Å; L384-V419 HydrophobicContact CB-CG2 3.85Å; L384-V419 HydrophobicContact CD2-CG1 4.14Å; L384-V422 HydrophobicContact CB-CG2 4.45Å; L384-V422 HydrophobicContact CD1-CG1 4.2Å; L384-V422 HydrophobicContact CD1-CG2 4.43Å; L384-V422 HydrophobicContact CD2-CG1 4.44Å; L384-V422 HydrophobicContact CD2-CG2 4.32Å
385I97.1Very high95.1Very high1 Ų132.5 Ų32.51%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-117.1108.2175.7-56.7158.6000107.3I355 S356 L371 A372 V387 F409 V414 E415 T416I355-I385 WeakPolarHBondContact CA-O 3.5Å; S356-I385 PolarHBondContact N-O 3.17Å; S356-I385 PolarHBondContact O-N 3.22Å; L371-I385 WeakPolarHBondContact O-CD1 3.29Å; A372-I385 HydrophobicContact CB-CD1 4.44Å; I385-V387 HydrophobicContact CG2-CG2 4.29Å; I385-F409 HydrophobicContact CD1-CE1 3.74Å; I385-F409 HydrophobicContact CD1-CZ 3.78Å; I385-F409 HydrophobicContact CG1-CE1 3.99Å; I385-F409 HydrophobicContact CG1-CZ 4.18Å; I385-F409 HydrophobicContact CG2-CD1 4.43Å; I385-F409 HydrophobicContact CG2-CE1 4.06Å; I385-V414 HydrophobicContact CG2-CG1 4.2Å; I385-E415 WeakPolarHBondContact CA-O 3.39Å; I385-T416 HydrophobicContact CG1-CG2 4.08Å; I385-T416 HydrophobicContact CG2-CG2 4.3Å
386A97.3Very high95.3Very high2 Ų234.6 Ų34.62%0.01720%0.201CC..EExtended strand (participates in β ladder)trans-106.2114.2179.800000109.6L312 Y352 E415L312-A386 HydrophobicContact CD2-CB 3.81Å; Y352-A386 HydrophobicContact CD1-CB 4.1Å; Y352-A386 HydrophobicContact CE1-CB 3.84Å; A386-E415 HydrophobicContact CB-CB 4.49Å; A386-E415 PolarHBondContact N-O 2.72Å; A386-E415 PolarHBondContact O-N 3.42Å
387V97.4Very high95.3Very high1 Ų137.4 Ų37.41%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-102.2104.8178.8-170.60000108.3Y352 L353 S354 I385 F395 F413 V414Y352-V387 CarbonylContact C-O 3.51Å; Y352-V387 VanDerWaalsContact CA-O 3.31Å; Y352-V387 WeakPolarHBondContact CA-O 3.34Å; L353-V387 HydrophobicContact CB-CG1 4.45Å; L353-V387 PolarHBondContact N-O 3.4Å; S354-V387 PolarHBondContact N-O 3Å; S354-V387 PolarHBondContact O-N 3.42Å; I385-V387 HydrophobicContact CG2-CG2 4.29Å; V387-F395 HydrophobicContact CG1-CD2 3.98Å; V387-F395 HydrophobicContact CG1-CE2 3.86Å; V387-F413 CarbonylContact C-O 3.47Å; V387-F413 WeakPolarHBondContact CA-O 3.36Å; V387-F413 HydrophobicContact CG1-CD2 3.73Å; V387-F413 HydrophobicContact CG1-CE2 3.99Å; V387-V414 HydrophobicContact CG1-CG2 4.19Å; V387-V414 HydrophobicContact CG2-CG2 4.33Å
388G96.7Very high95.3Very high16 Ų1637 Ų3717%0.16520%0.204CC..EExtended strand (participates in β ladder)trans-66.5178.6177.500000113.3L351 A390 F413L351-G388 CarbonylContact O-C 3.53Å; L351-G388 WeakPolarHBondContact O-CA 3.15Å; G388-A390 PolarHBondContact O-N 2.87Å; G388-F413 PolarHBondContact N-O 2.86Å
389N96.2Very high95.1Very high91 Ų9137.1 Ų37.149%0.48721%0.205SC..  trans-63.8132.5178.5-166.221.6000111.4P307 L351P307-N389 HydrophobicContact CB-CB 4.48Å; L351-N389 HydrophobicContact CB-CB 3.95Å; L351-N389 PolarHBondContact O-N 3.38Å
390A96Very high95Very high20 Ų2038.3 Ų38.317%0.16521%0.206CC..  trans-150.2162.8-17900000110.4L353 G388 E394 F413L353-A390 HydrophobicContact CD1-CB 3.99Å; G388-A390 PolarHBondContact O-N 2.87Å; A390-E394 HydrophobicContact CB-CB 4.39Å; A390-F413 HydrophobicContact CB-CB 4.36Å; A390-F413 HydrophobicContact CB-CD1 3.94Å; A390-F413 HydrophobicContact CB-CD2 3.82Å; A390-F413 HydrophobicContact CB-CE1 4.18Å; A390-F413 HydrophobicContact CB-CE2 4.08Å; A390-F413 HydrophobicContact CB-CG 3.76Å; A390-F413 HydrophobicContact CB-CZ 4.25Å
391S96Very high94.6Very high61 Ų6139.8 Ų39.843%0.42721%0.207SC..  trans-65.815317275.80000110.6S393 E394 F395S391-S393 PolarHBondContact O-N 3Å; S391-S393 PolarHBondContact OG-OG 3.26Å; S391-S393 VanDerWaalsContact OG-OG 3.04Å; S391-E394 PolarHBondContact O-N 3.21Å; S391-E394 VanDerWaalsContact O-N 3.14Å; S391-E394 WeakPolarHBondContact OG-CG 3.42Å; S391-E394 PolarHBondContact OG-N 3.18Å; S391-F395 PolarHBondContact O-N 3.43Å
392R95.5Very high93.9Very high130 Ų13040.7 Ų40.749%0.49121%0.21SC..Hα-helixtrans-54.6-38.5177.8-172.3-171.6-67.7132.80.2112.3L302 A303 L305 I396L302-R392 WeakPolarHBondContact O-CD 3.32Å; L302-R392 PolarHBondContact O-NE 3.39Å; A303-R392 PolarHBondContact O-NH2 3.4Å; L305-R392 HydrophobicContact CD2-CB 4.07Å; L305-R392 HydrophobicContact CD2-CG 4.24Å; R392-I396 HydrophobicContact CG-CD1 4Å; R392-I396 WeakPolarHBondContact O-CD1 3.18Å; R392-I396 VanDerWaalsContact O-CG1 3.22Å; R392-I396 WeakPolarHBondContact O-CG1 3.26Å; R392-I396 PolarHBondContact O-N 3.19Å
393S95Very high92.9Very high70 Ų7045.4 Ų45.449%0.4924%0.239SC..Hα-helixtrans-66.9-42.4179.354.90000112.5S391 I396 K397S391-S393 PolarHBondContact O-N 3Å; S391-S393 PolarHBondContact OG-OG 3.26Å; S391-S393 VanDerWaalsContact OG-OG 3.04Å; S393-I396 PolarHBondContact O-N 2.89Å; S393-K397 WeakPolarHBondContact O-CG 3.31Å; S393-K397 PolarHBondContact O-N 3.27Å; S393-K397 VanDerWaalsContact O-N 3.09Å
394E95.1Very high91.7Very high60 Ų6046.9 Ų46.928%0.2825%0.249SC..Hα-helixtrans-67.6-40.6176.9-69.9-51.5119.700111.4A390 S391 I396 K397 H398 F413A390-E394 HydrophobicContact CB-CB 4.39Å; S391-E394 PolarHBondContact O-N 3.21Å; S391-E394 VanDerWaalsContact O-N 3.14Å; S391-E394 WeakPolarHBondContact OG-CG 3.42Å; S391-E394 PolarHBondContact OG-N 3.18Å; E394-I396 VanDerWaalsContact C-N 3.34Å; E394-I396 PolarHBondContact O-N 3.39Å; E394-K397 WeakPolarHBondContact O-CB 3.47Å; E394-K397 PolarHBondContact O-N 3.45Å; E394-K397 IonicContact OE1-NZ 3.88Å; E394-K397 PolarHBondContact OE1-NZ 2.89Å; E394-K397 IonicContact OE2-NZ 3.66Å; E394-H398 PolarHBondContact O-N 3.13Å; E394-F413 HydrophobicContact CB-CE1 3.77Å; E394-F413 HydrophobicContact CB-CZ 4Å
395F95.3Very high90.2Very high0 Ų051.9 Ų51.90%028%0.284CS..Hα-helixtrans-63.6-38.7175.8-172-108.5000112.6F274 L302 L305 L353 V387 S391 H398 L399F274-F395 HydrophobicContact CB-CE1 4.29Å; F274-F395 HydrophobicContact CB-CZ 3.88Å; F274-F395 HydrophobicContact CD1-CE1 4.02Å; F274-F395 AromaticContact CD1-CZ 4Å; F274-F395 HydrophobicContact CD1-CZ 4Å; F274-F395 AromaticContact CD2-CE1 3.48Å; F274-F395 HydrophobicContact CD2-CE1 3.48Å; F274-F395 VanDerWaalsContact CD2-CE1 3.48Å; F274-F395 AromaticContact CD2-CZ 3.97Å; F274-F395 HydrophobicContact CD2-CZ 3.97Å; F274-F395 HydrophobicContact CE1-CE1 4.23Å; F274-F395 AromaticContact CE2-CE1 3.73Å; F274-F395 HydrophobicContact CE2-CE1 3.73Å; F274-F395 AromaticContact CG-CE1 3.65Å; F274-F395 HydrophobicContact CG-CE1 3.65Å; F274-F395 AromaticContact CG-CZ 3.67Å; F274-F395 HydrophobicContact CG-CZ 3.67Å; F274-F395 HydrophobicContact CZ-CE1 4.1Å; L302-F395 HydrophobicContact CD2-CD1 3.73Å; L302-F395 HydrophobicContact CD2-CE1 4.03Å; L305-F395 HydrophobicContact CD1-CD1 3.76Å; L305-F395 HydrophobicContact CD1-CE1 3.84Å; L305-F395 HydrophobicContact CD1-CG 4.43Å; L305-F395 HydrophobicContact CD2-CB 3.96Å; L305-F395 HydrophobicContact CD2-CD1 3.96Å; L305-F395 HydrophobicContact CD2-CG 4.13Å; L353-F395 HydrophobicContact CB-CD2 4.19Å; L353-F395 HydrophobicContact CB-CE2 3.95Å; L353-F395 HydrophobicContact CB-CZ 4.5Å; L353-F395 HydrophobicContact CD1-CB 4.05Å; L353-F395 HydrophobicContact CD1-CD2 3.6Å; L353-F395 HydrophobicContact CD1-CE2 4.23Å; L353-F395 HydrophobicContact CD1-CG 3.87Å; V387-F395 HydrophobicContact CG1-CD2 3.98Å; V387-F395 HydrophobicContact CG1-CE2 3.86Å; S391-F395 PolarHBondContact O-N 3.43Å; F395-H398 AromaticContact CE2-ND1 3.96Å; F395-H398 WeakPolarHBondContact O-CB 3.38Å; F395-H398 PolarHBondContact O-N 2.84Å; F395-L399 HydrophobicContact CD1-CD1 4.08Å; F395-L399 HydrophobicContact CD1-CG 4.3Å; F395-L399 HydrophobicContact CE1-CD1 3.68Å; F395-L399 HydrophobicContact CE1-CD2 4.23Å; F395-L399 HydrophobicContact CE1-CG 3.97Å; F395-L399 HydrophobicContact CZ-CD1 4.35Å; F395-L399 HydrophobicContact CZ-CD2 4.06Å; F395-L399 HydrophobicContact CZ-CG 4.24Å; F395-L399 WeakPolarHBondContact O-CG 3.44Å; F395-L399 PolarHBondContact O-N 3.26Å
396I93.8Very high89Confident53 Ų5355.7 Ų55.727%0.27231%0.311SS..Hα-helixtrans-63.1-42.1173.3-71.2166.3000111.2L302 R392 S393 E394 H398 L399 K400L302-I396 HydrophobicContact CD1-CD1 4.45Å; L302-I396 HydrophobicContact CD1-CG1 4.05Å; L302-I396 HydrophobicContact CD2-CG1 3.83Å; R392-I396 HydrophobicContact CG-CD1 4Å; R392-I396 WeakPolarHBondContact O-CD1 3.18Å; R392-I396 VanDerWaalsContact O-CG1 3.22Å; R392-I396 WeakPolarHBondContact O-CG1 3.26Å; R392-I396 PolarHBondContact O-N 3.19Å; S393-I396 PolarHBondContact O-N 2.89Å; E394-I396 VanDerWaalsContact C-N 3.34Å; E394-I396 PolarHBondContact O-N 3.39Å; I396-H398 VanDerWaalsContact C-N 3.3Å; I396-H398 PolarHBondContact O-N 2.75Å; I396-L399 PolarHBondContact O-N 2.96Å; I396-K400 HydrophobicContact CG2-CD 4.16Å; I396-K400 WeakPolarHBondContact O-CG 3.44Å; I396-K400 PolarHBondContact O-N 3.33Å
397K92.3Very high87.7Confident109 Ų10957 Ų5747%0.47433%0.325SS..Hα-helixtrans-59.1-44174.8-70.7173.2-175.5171.50111.1S393 E394 K400 Q401 F411S393-K397 WeakPolarHBondContact O-CG 3.31Å; S393-K397 PolarHBondContact O-N 3.27Å; S393-K397 VanDerWaalsContact O-N 3.09Å; E394-K397 WeakPolarHBondContact O-CB 3.47Å; E394-K397 PolarHBondContact O-N 3.45Å; E394-K397 IonicContact OE1-NZ 3.88Å; E394-K397 PolarHBondContact OE1-NZ 2.89Å; E394-K397 IonicContact OE2-NZ 3.66Å; K397-K400 PolarHBondContact O-N 3.12Å; K397-Q401 PolarHBondContact O-N 2.75Å; K397-F411 HydrophobicContact CB-CE1 4.08Å; K397-F411 HydrophobicContact CB-CZ 4.23Å
398H91.8Very high86.6Confident4 Ų457.6 Ų57.62%0.01933%0.327CS..Hα-helixtrans-58.8-49.1174.3158.5-97.7000112.1E394 F395 I396 K400 Q401 Y402 F411 F413E394-H398 PolarHBondContact O-N 3.13Å; F395-H398 AromaticContact CE2-ND1 3.96Å; F395-H398 WeakPolarHBondContact O-CB 3.38Å; F395-H398 PolarHBondContact O-N 2.84Å; I396-H398 VanDerWaalsContact C-N 3.3Å; I396-H398 PolarHBondContact O-N 2.75Å; H398-K400 VanDerWaalsContact C-N 3.28Å; H398-K400 PolarHBondContact O-N 2.9Å; H398-Q401 WeakPolarHBondContact O-CB 3.39Å; H398-Q401 PolarHBondContact O-N 2.84Å; H398-Y402 AromaticContact CE1-CE2 3.6Å; H398-Y402 AromaticContact NE2-CE2 3.54Å; H398-Y402 AromaticContact NE2-CZ 3.85Å; H398-Y402 PolarHBondContact NE2-OH 3.3Å; H398-F411 HydrophobicContact CB-CD2 4.11Å; H398-F411 HydrophobicContact CB-CE1 4.45Å; H398-F411 HydrophobicContact CB-CE2 4Å; H398-F411 HydrophobicContact CB-CG 4.41Å; H398-F411 HydrophobicContact CB-CZ 4.17Å; H398-F413 HydrophobicContact CB-CE2 4.02Å; H398-F413 HydrophobicContact CB-CZ 4.04Å
399L90.6Very high85.9Confident49 Ų4958.6 Ų58.626%0.25733%0.327SS..Hα-helixtrans-59.8-38.3179.2-69.8-178.6000112.8F274 L302 F395 I396 Q401 Y402F274-L399 HydrophobicContact CE1-CD1 3.93Å; F274-L399 HydrophobicContact CZ-CD1 3.93Å; L302-L399 HydrophobicContact CD2-CD1 4.01Å; F395-L399 HydrophobicContact CD1-CD1 4.08Å; F395-L399 HydrophobicContact CD1-CG 4.3Å; F395-L399 HydrophobicContact CE1-CD1 3.68Å; F395-L399 HydrophobicContact CE1-CD2 4.23Å; F395-L399 HydrophobicContact CE1-CG 3.97Å; F395-L399 HydrophobicContact CZ-CD1 4.35Å; F395-L399 HydrophobicContact CZ-CD2 4.06Å; F395-L399 HydrophobicContact CZ-CG 4.24Å; F395-L399 WeakPolarHBondContact O-CG 3.44Å; F395-L399 PolarHBondContact O-N 3.26Å; I396-L399 PolarHBondContact O-N 2.96Å; L399-Q401 PolarHBondContact O-N 3.44Å; L399-Y402 PolarHBondContact O-N 3.19Å
400K87.6Confident85.3Confident97 Ų9759 Ų5942%0.42234%0.337SS..Hα-helixtrans-63.4-28.7177.3-74177.7177.2-155.10112.7I396 K397 H398 Y402 T403 I499I396-K400 HydrophobicContact CG2-CD 4.16Å; I396-K400 WeakPolarHBondContact O-CG 3.44Å; I396-K400 PolarHBondContact O-N 3.33Å; K397-K400 PolarHBondContact O-N 3.12Å; H398-K400 VanDerWaalsContact C-N 3.28Å; H398-K400 PolarHBondContact O-N 2.9Å; K400-Y402 PolarHBondContact O-N 3.42Å; K400-T403 PolarHBondContact O-N 3.06Å; K400-T403 VanDerWaalsContact O-N 3.09Å; K400-T403 PolarHBondContact O-OG1 2.94Å; K400-I499 WeakPolarHBondContact CE-OXT 3.23Å; K400-I499 PolarHBondContact NZ-OXT 2.98Å
401Q86.4Confident85.1Confident51 Ų5159.6 Ų59.624%0.23834%0.336CS..Hα-helixtrans-69.2-20.3-176.1-153.36532.500113.4K397 H398 L399 T403 S404 S406 G407 Q408 F411K397-Q401 PolarHBondContact O-N 2.75Å; H398-Q401 WeakPolarHBondContact O-CB 3.39Å; H398-Q401 PolarHBondContact O-N 2.84Å; L399-Q401 PolarHBondContact O-N 3.44Å; Q401-T403 PolarHBondContact O-N 3.18Å; Q401-S404 VanDerWaalsContact NE2-CB 3.26Å; Q401-S404 PolarHBondContact NE2-OG 2.82Å; Q401-S404 WeakPolarHBondContact O-CB 3.42Å; Q401-S404 PolarHBondContact O-N 3.06Å; Q401-S406 WeakPolarHBondContact CG-O 3.38Å; Q401-S406 PolarHBondContact NE2-O 3.48Å; Q401-G407 VanDerWaalsContact CG-C 3.49Å; Q401-G407 WeakPolarHBondContact CG-O 3.16Å; Q401-Q408 HydrophobicContact CB-CB 4.4Å; Q401-Q408 VanDerWaalsContact CG-CA 3.47Å; Q401-Q408 HydrophobicContact CG-CB 4.24Å; Q401-F411 HydrophobicContact CB-CE2 4.26Å; Q401-F411 HydrophobicContact CG-CE2 4.46Å
402Y80.4Confident85Confident25 Ų2563 Ų6310%0.09836%0.357CS..THydrogen-bonded Turntrans-66.5-16.8171.6-71.4-79.3000113.7L371 H398 L399 K400 F409L371-Y402 HydrophobicContact CB-CE1 4.41Å; L371-Y402 HydrophobicContact CD2-CD1 3.58Å; L371-Y402 HydrophobicContact CD2-CE1 3.87Å; L371-Y402 HydrophobicContact CD2-CG 4.05Å; H398-Y402 AromaticContact CE1-CE2 3.6Å; H398-Y402 AromaticContact NE2-CE2 3.54Å; H398-Y402 AromaticContact NE2-CZ 3.85Å; H398-Y402 PolarHBondContact NE2-OH 3.3Å; L399-Y402 PolarHBondContact O-N 3.19Å; K400-Y402 PolarHBondContact O-N 3.42Å; Y402-F409 HydrophobicContact CE1-CE1 4.45Å
403T75.6Confident85Confident100 Ų10058.2 Ų58.261%0.61334%0.34SS*.THydrogen-bonded Turntrans-91-9.2172.767.20000112.9K400 Q401K400-T403 PolarHBondContact O-N 3.06Å; K400-T403 VanDerWaalsContact O-N 3.09Å; K400-T403 PolarHBondContact O-OG1 2.94Å; Q401-T403 PolarHBondContact O-N 3.18Å
404S72.2Confident85Confident44 Ų4455.6 Ų55.631%0.30832%0.321SS..SBendtrans-91.1163.5179.6-60.40000111.3Q401Q401-S404 VanDerWaalsContact NE2-CB 3.26Å; Q401-S404 PolarHBondContact NE2-OG 2.82Å; Q401-S404 WeakPolarHBondContact O-CB 3.42Å; Q401-S404 PolarHBondContact O-N 3.06Å
405S67.1Low84.9Confident106 Ų10657.1 Ų57.174%0.74133%0.328SS*.SBendtrans-82.4-7.1-179.852.60000115
406S70.3Confident84.9Confident80 Ų8059.9 Ų59.956%0.55935%0.345SS*.SBendtrans-158167.2-178.265.90000112.4Q401 Q408Q401-S406 WeakPolarHBondContact CG-O 3.38Å; Q401-S406 PolarHBondContact NE2-O 3.48Å; S406-Q408 PolarHBondContact O-N 2.81Å
407G71.6Confident85Confident30 Ų3060.2 Ų60.231%0.30935%0.345SS..  trans78.99165.400000117.1Q401 F409 S410Q401-G407 VanDerWaalsContact CG-C 3.49Å; Q401-G407 WeakPolarHBondContact CG-O 3.16Å; G407-F409 PolarHBondContact O-N 2.87Å; G407-S410 WeakPolarHBondContact O-CB 3.27Å; G407-S410 PolarHBondContact O-N 2.95Å
408Q72.8Confident85.2Confident13 Ų1358.1 Ų58.16%0.06134%0.344CS..THydrogen-bonded Turntrans-58-24.2-176.264.7-176.165.200115P373 Q401 S406P373-Q408 VanDerWaalsContact CG-NE2 3.32Å; Q401-Q408 HydrophobicContact CB-CB 4.4Å; Q401-Q408 VanDerWaalsContact CG-CA 3.47Å; Q401-Q408 HydrophobicContact CG-CB 4.24Å; S406-Q408 PolarHBondContact O-N 2.81Å
409F81.4Confident85.4Confident37 Ų3758 Ų5816%0.16234%0.343CS..THydrogen-bonded Turntrans-109.98.7179-51.9-49.1000113.4P373 I385 Y402 G407 F411 V414 T416P373-F409 HydrophobicContact CG-CE2 3.86Å; P373-F409 HydrophobicContact CG-CZ 4.33Å; I385-F409 HydrophobicContact CD1-CE1 3.74Å; I385-F409 HydrophobicContact CD1-CZ 3.78Å; I385-F409 HydrophobicContact CG1-CE1 3.99Å; I385-F409 HydrophobicContact CG1-CZ 4.18Å; I385-F409 HydrophobicContact CG2-CD1 4.43Å; I385-F409 HydrophobicContact CG2-CE1 4.06Å; Y402-F409 HydrophobicContact CE1-CE1 4.45Å; G407-F409 PolarHBondContact O-N 2.87Å; F409-F411 PolarHBondContact O-N 2.86Å; F409-V414 HydrophobicContact CB-CG1 4.36Å; F409-V414 HydrophobicContact CD1-CG1 4.03Å; F409-T416 HydrophobicContact CB-CG2 4.02Å; F409-T416 HydrophobicContact CD1-CG2 3.65Å; F409-T416 HydrophobicContact CD2-CG2 4Å; F409-T416 HydrophobicContact CE1-CG2 4.02Å; F409-T416 HydrophobicContact CE2-CG2 4.33Å; F409-T416 HydrophobicContact CG-CG2 3.62Å; F409-T416 HydrophobicContact CZ-CG2 4.31Å
410S85.6Confident85.7Confident100 Ų10057.6 Ų57.670%0.69935%0.345SS*.  trans-84.544.9-176.6-55.70000112.9G407G407-S410 WeakPolarHBondContact O-CB 3.27Å; G407-S410 PolarHBondContact O-N 2.95Å
411F91.1Very high86.2Confident33 Ų3353 Ų5315%0.14533%0.325CS..SBendtrans-123.2138.9178.7-68.4-89.6000110.1K397 H398 Q401 F409 F413 V414K397-F411 HydrophobicContact CB-CE1 4.08Å; K397-F411 HydrophobicContact CB-CZ 4.23Å; H398-F411 HydrophobicContact CB-CD2 4.11Å; H398-F411 HydrophobicContact CB-CE1 4.45Å; H398-F411 HydrophobicContact CB-CE2 4Å; H398-F411 HydrophobicContact CB-CG 4.41Å; H398-F411 HydrophobicContact CB-CZ 4.17Å; Q401-F411 HydrophobicContact CB-CE2 4.26Å; Q401-F411 HydrophobicContact CG-CE2 4.46Å; F409-F411 PolarHBondContact O-N 2.86Å; F411-F413 HydrophobicContact CB-CD1 4.15Å; F411-F413 HydrophobicContact CB-CD2 4.5Å; F411-F413 HydrophobicContact CB-CE1 3.77Å; F411-F413 HydrophobicContact CB-CE2 4.13Å; F411-F413 HydrophobicContact CB-CG 4.5Å; F411-F413 HydrophobicContact CB-CZ 3.75Å; F411-F413 AromaticContact CD1-CE1 3.68Å; F411-F413 HydrophobicContact CD1-CE1 3.68Å; F411-F413 AromaticContact CD1-CZ 3.58Å; F411-F413 HydrophobicContact CD1-CZ 3.58Å; F411-F413 HydrophobicContact CE1-CZ 4.41Å; F411-F413 HydrophobicContact CG-CE1 4.07Å; F411-F413 HydrophobicContact CG-CE2 4.45Å; F411-F413 AromaticContact CG-CZ 3.81Å; F411-F413 HydrophobicContact CG-CZ 3.81Å; F411-F413 PolarHBondContact O-N 2.82Å; F411-F413 VanDerWaalsContact O-N 3.1Å; F411-V414 HydrophobicContact CB-CB 4.21Å; F411-V414 HydrophobicContact CB-CG2 3.73Å; F411-V414 PolarHBondContact O-N 2.85Å
412P93.7Very high86.8Confident132 Ų13250.6 Ų50.686%0.85731%0.314SS*.THydrogen-bonded Turntrans-67.4-14.1-17628.3-36000113.9
413F94.6Very high87.6Confident30 Ų3052.7 Ų52.713%0.13232%0.322CS..THydrogen-bonded Turntrans-101.311.1176.958.2-94.7000112.5V387 G388 A390 E394 H398 F411V387-F413 CarbonylContact C-O 3.47Å; V387-F413 WeakPolarHBondContact CA-O 3.36Å; V387-F413 HydrophobicContact CG1-CD2 3.73Å; V387-F413 HydrophobicContact CG1-CE2 3.99Å; G388-F413 PolarHBondContact N-O 2.86Å; A390-F413 HydrophobicContact CB-CB 4.36Å; A390-F413 HydrophobicContact CB-CD1 3.94Å; A390-F413 HydrophobicContact CB-CD2 3.82Å; A390-F413 HydrophobicContact CB-CE1 4.18Å; A390-F413 HydrophobicContact CB-CE2 4.08Å; A390-F413 HydrophobicContact CB-CG 3.76Å; A390-F413 HydrophobicContact CB-CZ 4.25Å; E394-F413 HydrophobicContact CB-CE1 3.77Å; E394-F413 HydrophobicContact CB-CZ 4Å; H398-F413 HydrophobicContact CB-CE2 4.02Å; H398-F413 HydrophobicContact CB-CZ 4.04Å; F411-F413 HydrophobicContact CB-CD1 4.15Å; F411-F413 HydrophobicContact CB-CD2 4.5Å; F411-F413 HydrophobicContact CB-CE1 3.77Å; F411-F413 HydrophobicContact CB-CE2 4.13Å; F411-F413 HydrophobicContact CB-CG 4.5Å; F411-F413 HydrophobicContact CB-CZ 3.75Å; F411-F413 AromaticContact CD1-CE1 3.68Å; F411-F413 HydrophobicContact CD1-CE1 3.68Å; F411-F413 AromaticContact CD1-CZ 3.58Å; F411-F413 HydrophobicContact CD1-CZ 3.58Å; F411-F413 HydrophobicContact CE1-CZ 4.41Å; F411-F413 HydrophobicContact CG-CE1 4.07Å; F411-F413 HydrophobicContact CG-CE2 4.45Å; F411-F413 AromaticContact CG-CZ 3.81Å; F411-F413 HydrophobicContact CG-CZ 3.81Å; F411-F413 PolarHBondContact O-N 2.82Å; F411-F413 VanDerWaalsContact O-N 3.1Å
414V95.3Very high88.6Confident14 Ų1448 Ų489%0.08529%0.293CS..EExtended strand (participates in β ladder)trans-118.6119.5178.7179.80000109I385 V387 F409 F411 T416I385-V414 HydrophobicContact CG2-CG1 4.2Å; V387-V414 HydrophobicContact CG1-CG2 4.19Å; V387-V414 HydrophobicContact CG2-CG2 4.33Å; F409-V414 HydrophobicContact CB-CG1 4.36Å; F409-V414 HydrophobicContact CD1-CG1 4.03Å; F411-V414 HydrophobicContact CB-CB 4.21Å; F411-V414 HydrophobicContact CB-CG2 3.73Å; F411-V414 PolarHBondContact O-N 2.85Å; V414-T416 HydrophobicContact CG1-CG2 4.35Å
415E94.3Very high89.7Confident92 Ų9251.2 Ų51.243%0.4330%0.298SS..EExtended strand (participates in β ladder)trans-112.3138.3174.6-66.7177.1173.800109.6I385 A386I385-E415 WeakPolarHBondContact CA-O 3.39Å; A386-E415 HydrophobicContact CB-CB 4.49Å; A386-E415 PolarHBondContact N-O 2.72Å; A386-E415 PolarHBondContact O-N 3.42Å
416T94.7Very high90.9Very high59 Ų5947.2 Ų47.236%0.36227%0.269SS..EExtended strand (participates in β ladder)trans-130.3131.9178.961.80000111.7L384 I385 F409 V414L384-T416 CarbonylContact O-C 3.57Å; L384-T416 VanDerWaalsContact O-CA 3.23Å; L384-T416 WeakPolarHBondContact O-CA 3.35Å; I385-T416 HydrophobicContact CG1-CG2 4.08Å; I385-T416 HydrophobicContact CG2-CG2 4.3Å; F409-T416 HydrophobicContact CB-CG2 4.02Å; F409-T416 HydrophobicContact CD1-CG2 3.65Å; F409-T416 HydrophobicContact CD2-CG2 4Å; F409-T416 HydrophobicContact CE1-CG2 4.02Å; F409-T416 HydrophobicContact CE2-CG2 4.33Å; F409-T416 HydrophobicContact CG-CG2 3.62Å; F409-T416 HydrophobicContact CZ-CG2 4.31Å; V414-T416 HydrophobicContact CG1-CG2 4.35Å
417H95.1Very high91.6Very high60 Ų6049.8 Ų49.828%0.27827%0.267SS..EExtended strand (participates in β ladder)trans-133.4141.9178.9-59-78.8000110.9F314 L384 V419F314-H417 HydrophobicContact CD2-CB 4.33Å; F314-H417 HydrophobicContact CE2-CB 3.8Å; F314-H417 AromaticContact CE2-CD2 3.82Å; F314-H417 AromaticContact CE2-CG 3.5Å; F314-H417 AromaticContact CE2-ND1 3.76Å; F314-H417 HydrophobicContact CZ-CB 4.37Å; F314-H417 AromaticContact CZ-CD2 3.47Å; F314-H417 VanDerWaalsContact CZ-CD2 3.47Å; F314-H417 WeakPolarHBondContact CZ-CD2 3.36Å; F314-H417 AromaticContact CZ-CE1 3.76Å; F314-H417 AromaticContact CZ-CG 3.63Å; F314-H417 AromaticContact CZ-ND1 3.8Å; F314-H417 AromaticContact CZ-NE2 3.56Å; L384-H417 HydrophobicContact CB-CB 4.38Å; L384-H417 PolarHBondContact N-O 2.86Å; L384-H417 PolarHBondContact O-N 3.41Å; H417-V419 HydrophobicContact CB-CG1 3.74Å
418S96.4Very high91.5Very high64 Ų6451 Ų5145%0.44827%0.271SS..EExtended strand (participates in β ladder)trans-83124.9161.7176.50000108.2P316 A317 S381 A382P316-S418 WeakPolarHBondContact CA-O 3.47Å; A317-S418 VanDerWaalsContact CB-OG 3.25Å; A317-S418 WeakPolarHBondContact CB-OG 3.46Å; A317-S418 PolarHBondContact N-O 3.43Å; S381-S418 VanDerWaalsContact CB-OG 3.25Å; S381-S418 WeakPolarHBondContact CB-OG 3.45Å; S381-S418 PolarHBondContact OG-OG 2.71Å; A382-S418 WeakPolarHBondContact O-CA 3.37Å
419V97.1Very high90.9Very high1 Ų153.9 Ų53.91%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-134.8150.9-168.3-60.60000112F314 L315 S381 A382 L384 H417 V422F314-V419 HydrophobicContact CB-CG1 4.03Å; F314-V419 HydrophobicContact CD2-CG1 3.53Å; F314-V419 HydrophobicContact CE2-CG1 4.28Å; F314-V419 HydrophobicContact CG-CG1 4.1Å; L315-V419 CarbonylContact O-C 3.45Å; L315-V419 WeakPolarHBondContact O-CA 3.45Å; L315-V419 VanDerWaalsContact O-CB 3.3Å; L315-V419 WeakPolarHBondContact O-CB 3.43Å; S381-V419 WeakPolarHBondContact CA-O 3.21Å; A382-V419 HydrophobicContact CB-CG2 4.26Å; A382-V419 PolarHBondContact N-O 2.87Å; A382-V419 WeakPolarHBondContact O-CG2 3.43Å; A382-V419 PolarHBondContact O-N 2.89Å; L384-V419 HydrophobicContact CB-CG1 3.88Å; L384-V419 HydrophobicContact CB-CG2 3.85Å; L384-V419 HydrophobicContact CD2-CG1 4.14Å; H417-V419 HydrophobicContact CB-CG1 3.74Å; V419-V422 HydrophobicContact CB-CG2 4.25Å; V419-V422 HydrophobicContact CG2-CG2 3.57Å
420S96.8Very high89.6Confident41 Ų4157.6 Ų57.629%0.28731%0.307SS..EExtended strand (participates in β ladder)trans-99.6-23.4170.955.20000112.4L315 V475L315-S420 WeakPolarHBondContact CB-OG 3.19Å; L315-S420 PolarHBondContact O-N 3.34Å; L315-S420 PolarHBondContact O-OG 3.16Å; S420-V475 PolarHBondContact O-N 2.85Å
421A97.7Very high87.8Confident1 Ų153.9 Ų53.91%0.00828%0.284CS..EExtended strand (participates in β ladder)trans-154153.7174.200000112.2F314 L315 W345 I473 R474F314-A421 CarbonylContact C-O 3.49Å; F314-A421 VanDerWaalsContact CA-O 3.27Å; F314-A421 WeakPolarHBondContact CA-O 3.15Å; F314-A421 WeakPolarHBondContact CB-O 3.31Å; L315-A421 HydrophobicContact CB-CB 4.26Å; L315-A421 HydrophobicContact CD1-CB 4.01Å; L315-A421 HydrophobicContact CG-CB 4.35Å; L315-A421 PolarHBondContact N-O 3.21Å; W345-A421 HydrophobicContact CH2-CB 3.57Å; W345-A421 HydrophobicContact CZ2-CB 4.14Å; W345-A421 HydrophobicContact CZ3-CB 4.32Å; A421-I473 CarbonylContact C-O 3.59Å; A421-I473 WeakPolarHBondContact CA-O 3.48Å; A421-R474 HydrophobicContact CB-CG 3.92Å
422V98.3Very high85.9Confident1 Ų154.7 Ų54.71%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-139.4136.5178.1-171.50000109.6L312 S313 F314 V357 L384 V419 I424 L472 I473L312-V422 HydrophobicContact CD1-CG1 3.56Å; S313-V422 CarbonylContact O-C 3.54Å; S313-V422 WeakPolarHBondContact O-CA 3.24Å; F314-V422 HydrophobicContact CB-CG1 4.47Å; F314-V422 HydrophobicContact CB-CG2 4.19Å; V357-V422 HydrophobicContact CG1-CG2 4.23Å; V357-V422 HydrophobicContact CG2-CB 4.25Å; V357-V422 HydrophobicContact CG2-CG1 4.25Å; V357-V422 HydrophobicContact CG2-CG2 3.97Å; L384-V422 HydrophobicContact CB-CG2 4.45Å; L384-V422 HydrophobicContact CD1-CG1 4.2Å; L384-V422 HydrophobicContact CD1-CG2 4.43Å; L384-V422 HydrophobicContact CD2-CG1 4.44Å; L384-V422 HydrophobicContact CD2-CG2 4.32Å; V419-V422 HydrophobicContact CB-CG2 4.25Å; V419-V422 HydrophobicContact CG2-CG2 3.57Å; V422-I424 HydrophobicContact CG1-CD1 4.24Å; V422-I424 HydrophobicContact CG1-CG1 3.87Å; V422-L472 WeakPolarHBondContact O-CA 3.45Å; V422-I473 HydrophobicContact CB-CB 4.41Å; V422-I473 PolarHBondContact N-O 3.28Å; V422-I473 PolarHBondContact O-N 3.37Å
423R97.8Very high83.7Confident69 Ų6952.9 Ų52.926%0.2628%0.277SS..EExtended strand (participates in β ladder)trans-114.6128.9166.1-69.2177.2-173.7143.24.7109.1S313 W345 E470 V471 L472S313-R423 PolarHBondContact N-O 3.41Å; S313-R423 PolarHBondContact O-N 3.25Å; W345-R423 HydrophobicContact CH2-CG 3.77Å; W345-R423 VanDerWaalsContact CZ2-CZ 3.48Å; W345-R423 HydrophobicContact CZ3-CB 4.23Å; W345-R423 HydrophobicContact CZ3-CG 3.75Å; R423-E470 HydrophobicContact CB-CG 4.43Å; R423-V471 WeakPolarHBondContact CA-O 3.48Å; R423-L472 HydrophobicContact CG-CB 4.3Å; R423-L472 HydrophobicContact CG-CD1 3.6Å
424I97.3Very high81.3Confident1 Ų158.9 Ų58.91%0.00531%0.305CS..EExtended strand (participates in β ladder)trans-121.2113.7177.1-57.8173000107F272 L312 I355 V422 W458 E470 V471 I473F272-I424 HydrophobicContact CD1-CG2 4.13Å; F272-I424 HydrophobicContact CE1-CG2 4.43Å; L312-I424 HydrophobicContact CD1-CG1 3.86Å; I355-I424 HydrophobicContact CB-CD1 4.3Å; I355-I424 HydrophobicContact CD1-CG2 4.17Å; I355-I424 HydrophobicContact CG2-CD1 3.6Å; I355-I424 HydrophobicContact CG2-CG1 4.41Å; V422-I424 HydrophobicContact CG1-CD1 4.24Å; V422-I424 HydrophobicContact CG1-CG1 3.87Å; I424-W458 HydrophobicContact CB-CH2 3.81Å; I424-W458 HydrophobicContact CB-CZ2 4.39Å; I424-W458 HydrophobicContact CD1-CH2 3.62Å; I424-W458 HydrophobicContact CD1-CZ3 3.96Å; I424-W458 HydrophobicContact CG1-CH2 4.24Å; I424-W458 HydrophobicContact CG2-CH2 3.91Å; I424-W458 HydrophobicContact CG2-CZ2 4.21Å; I424-E470 WeakPolarHBondContact O-CA 3.38Å; I424-V471 PolarHBondContact N-O 2.99Å; I424-V471 PolarHBondContact O-N 3.22Å; I424-I473 HydrophobicContact CD1-CD1 4.36Å
425R95Very high79.1Confident112 Ų11261.9 Ų61.942%0.42332%0.318SS..EExtended strand (participates in β ladder)trans-117.8106.3179.7-178.5176.6179.3143.6-4.2110.3C310 Q311 E470C310-R425 WeakPolarHBondContact CA-O 3.39Å; Q311-R425 HydrophobicContact CB-CB 4.3Å; Q311-R425 PolarHBondContact N-O 2.95Å; Q311-R425 PolarHBondContact O-N 3.4Å; R425-E470 HydrophobicContact CB-CB 4.18Å; R425-E470 HydrophobicContact CB-CG 4.1Å; R425-E470 HydrophobicContact CG-CB 4.31Å
426P91.4Very high77Confident21 Ų2161.2 Ų61.214%0.13632%0.315CS..EExtended strand (participates in β ladder)trans-61.7139170.6-18.130000111F272 L456F272-P426 HydrophobicContact CZ-CG 4.15Å; P426-L456 HydrophobicContact CB-CD1 3.44Å; P426-L456 VanDerWaalsContact CB-CD1 3.44Å; P426-L456 HydrophobicContact CG-CD1 3.33Å
427R86.6Confident74.7Confident134 Ų13462.3 Ų62.351%0.50633%0.325SS..  trans-109.8-37.8-176.6-69.3-171.463.6-161.7-1114.1D309 Q349D309-R427 HydrophobicContact CB-CB 4.5Å; D309-R427 PolarHBondContact O-N 3.44Å; Q349-R427 VanDerWaalsContact OE1-NH1 3.12Å
428S68.9Low72.5Confident57 Ų5766.7 Ų66.740%0.39935%0.346SS..  trans-108.7123.6-179.7-173.40000110.3
429L59.8Low70.3Confident72 Ų7267.8 Ų67.838%0.37735%0.346SS..  trans-105.469.2177.5-77151.6000108.9G431 R453 A454L429-G431 PolarHBondContact O-N 3.07Å; L429-R453 HydrophobicContact CD1-CB 3.82Å; L429-R453 HydrophobicContact CD1-CG 3.55Å; L429-R453 HydrophobicContact CD2-CB 4.18Å; L429-A454 HydrophobicContact CD2-CB 4.15Å; L429-A454 VanDerWaalsContact CD2-O 3.22Å; L429-A454 WeakPolarHBondContact CD2-O 3.35Å
430I53.8Low67.9Low116 Ų11674.5 Ų74.560%0.59538%0.378SS*.  trans-72.5114.2160.1-60.8171.1000105.4W432I430-W432 PolarHBondContact O-N 3.47Å
431G49.3Very low65.3Low21 Ų2177 Ų7722%0.21641%0.41CS..  trans-51.2133.1-171.200000112.5L429 S433L429-G431 PolarHBondContact O-N 3.07Å; G431-S433 PolarHBondContact O-N 3.5Å
432W49.5Very low62.3Low50 Ų5082.4 Ų82.419%0.18944%0.439CS..THydrogen-bonded Turntrans-71.7-18.9173.4-8060.1000113R277 E308 I430 L456 P457R277-W432 HydrophobicContact CB-CH2 4.29Å; R277-W432 HydrophobicContact CG-CH2 3.05Å; R277-W432 HydrophobicContact CG-CZ2 3.99Å; R277-W432 HydrophobicContact CG-CZ3 3.54Å; R277-W432 VanDerWaalsContact NH2-CZ2 3.32Å; E308-W432 VanDerWaalsContact OE1-CZ2 3.27Å; E308-W432 WeakPolarHBondContact OE1-CZ2 3.4Å; I430-W432 PolarHBondContact O-N 3.47Å; W432-L456 VanDerWaalsContact CD1-CD2 3.44Å; W432-L456 HydrophobicContact CG-CD2 4.42Å; W432-L456 HydrophobicContact CZ2-CD2 4.04Å; W432-P457 HydrophobicContact CE3-CG 3.93Å; W432-P457 HydrophobicContact CH2-CB 4.49Å; W432-P457 HydrophobicContact CH2-CG 2.99Å; W432-P457 HydrophobicContact CZ2-CG 3.85Å; W432-P457 HydrophobicContact CZ3-CG 3.11Å
433S48.3Very low59.4Low95 Ų9588 Ų8866%0.66448%0.478SS*.THydrogen-bonded Turntrans-76.2-24.5-172.851.80000114.7G431G431-S433 PolarHBondContact O-N 3.5Å
434E44.6Very low56.5Low155 Ų15592.6 Ų92.672%0.72450%0.5SS*.SBendtrans-84.2-20.4-170.9-69.3-175.1164.900114.2S437E434-S437 PolarHBondContact O-OG 3.31Å
435E48.7Very low53.8Low77 Ų77101 Ų10136%0.3655%0.545SS..SBendtrans-95.9-8.9-173.4-72.1-178.6-164.800114.6R304 R306R304-E435 PolarHBondContact NH1-O 3.33Å; R306-E435 IonicContact CZ-OE2 3.6Å; R306-E435 IonicContact NH1-OE1 3.59Å; R306-E435 PolarHBondContact NH1-OE1 2.86Å; R306-E435 IonicContact NH1-OE2 3.5Å; R306-E435 PolarHBondContact NH1-OE2 3.44Å
436E49.6Very low50.8Low79 Ų79101.4 Ų101.437%0.36956%0.56SS.*SBendtrans-90.9-14.4179-73.9-166.2159.800114.2K284 E438 D439K284-E436 IonicContact NZ-OE1 2.66Å; K284-E436 PolarHBondContact NZ-OE1 2.98Å; K284-E436 IonicContact NZ-OE2 2.55Å; K284-E436 PolarHBondContact NZ-OE2 3.23Å; E436-E438 PolarHBondContact O-N 2.97Å; E436-D439 PolarHBondContact O-N 3.47Å; E436-D439 VanDerWaalsContact O-N 3.13Å
437S47.5Very low48.2Very low82 Ų82106 Ų10657%0.57359%0.59SS**THydrogen-bonded Turntrans-64.9-7.3175.257.50000113.8E434E434-S437 PolarHBondContact O-OG 3.31Å
438E48.9Very low46.2Very low152 Ų152106.9 Ų106.971%0.7160%0.603SS**THydrogen-bonded Turntrans-87.5-20.7174.7-66.4-173.3160.100113.8R304 E436R304-E438 IonicContact NH2-OE2 3.95Å; E436-E438 PolarHBondContact O-N 2.97Å
439D49.6Very low44.5Very low86 Ų86111.2 Ų111.246%0.4662%0.62SS.*THydrogen-bonded Turntrans-96.5-10.6-179-99.1-13.7000112.5K300 E436K300-D439 IonicContact NZ-OD2 2.82Å; E436-D439 PolarHBondContact O-N 3.47Å; E436-D439 VanDerWaalsContact O-N 3.13Å
440E47.1Very low43.8Very low142 Ų142116.3 Ų116.366%0.66464%0.642SS**SBendtrans-117.9113.6167.7-72-167.8167.400109.1D442E440-D442 PolarHBondContact O-N 2.9Å
441G41.9Very low43Very low94 Ų94116 Ų11697%0.96965%0.65SS**  trans-69.638.4-178.800000115.3
442D34.3Very low43Very low115 Ų115124 Ų12462%0.61568%0.682SS**  trans-123.584.9178.3-142.28000109.9E440 K444E440-D442 PolarHBondContact O-N 2.9Å; D442-K444 PolarHBondContact O-N 2.89Å
443S36.8Very low43.4Very low119 Ų119128.5 Ų128.583%0.83270%0.699SS**  trans-7193.7173.562.20000109.7
444K38.2Very low44.5Very low165 Ų165125.3 Ų125.372%0.71768%0.679SS**  trans-112.6104.3163-75.5-177.5-176.8165.80109.9D442 T446D442-K444 PolarHBondContact O-N 2.89Å; K444-T446 PolarHBondContact O-N 3.11Å; K444-T446 VanDerWaalsContact O-N 3.15Å
445N39.8Very low46.4Very low176 Ų176119.7 Ų119.794%0.94166%0.659SS**  trans-52.8111.7165.3-97.7-2.9000109.9
446T32.4Very low48.4Very low121 Ų121116.3 Ų116.374%0.74264%0.643SS**  trans-101.9141.7159.335.50000109.7K444K444-T446 PolarHBondContact O-N 3.11Å; K444-T446 VanDerWaalsContact O-N 3.15Å
447P35.6Very low50.5Low118 Ų118112.7 Ų112.777%0.76663%0.626SS**  trans-70.1147.3-17129.9-33.3000111.5I449P447-I449 PolarHBondContact O-N 2.82Å; P447-I449 VanDerWaalsContact O-N 3.16Å
448I45.4Very low52.9Low153 Ų153108.8 Ų108.879%0.78560%0.599SS**  trans-66.4107.5179-62.2165.8000109.1Q450I448-Q450 HydrophobicContact CG2-CG 4.18Å
449I34.1Very low55.1Low148 Ų148102.4 Ų102.476%0.75957%0.57SS**  trans-114100.3153.2-59.4177.6000105.9P447P447-I449 PolarHBondContact O-N 2.82Å; P447-I449 VanDerWaalsContact O-N 3.16Å
450Q43.8Very low57.2Low178 Ų17898.3 Ų98.383%0.83255%0.548SS*.  trans-75.8117.5165.4-82.6177.3-19.800108.5I448I448-Q450 HydrophobicContact CG2-CG 4.18Å
451S37.4Very low59.3Low110 Ų11091.9 Ų91.977%0.76952%0.518SS*.  trans178.714.3151.144.50000116.3
452E49Very low61.5Low188 Ų18889.3 Ų89.388%0.87949%0.492SS*.SBendtrans-111129.1166.5-74.7-177.1166.200110.4A454E452-A454 PolarHBondContact O-N 2.9Å; E452-A454 VanDerWaalsContact O-N 3.16Å
453R58.6Low64.1Low145 Ų14586.2 Ų86.255%0.54747%0.474SS..PPolyproline II helixtrans-58.8120.7173-71.2-172.5173.5156.50.7107.9L429 A455 A468 N469L429-R453 HydrophobicContact CD1-CB 3.82Å; L429-R453 HydrophobicContact CD1-CG 3.55Å; L429-R453 HydrophobicContact CD2-CB 4.18Å; R453-A455 PolarHBondContact O-N 3.42Å; R453-A455 VanDerWaalsContact O-N 3.13Å; R453-A468 HydrophobicContact CB-CB 3.83Å; R453-A468 WeakPolarHBondContact O-CB 3.35Å; R453-N469 PolarHBondContact NH1-OD1 3.27Å
454A70.9Confident66.8Low29 Ų2983 Ų8324%0.2445%0.446CS..PPolyproline II helixtrans-55.2119.1175.300000110.2L429 E452L429-A454 HydrophobicContact CD2-CB 4.15Å; L429-A454 VanDerWaalsContact CD2-O 3.22Å; L429-A454 WeakPolarHBondContact CD2-O 3.35Å; E452-A454 PolarHBondContact O-N 2.9Å; E452-A454 VanDerWaalsContact O-N 3.16Å
455A84.6Confident69.5Low37 Ų3776.3 Ų76.331%0.30642%0.419SS..PPolyproline II helixtrans-66.1135.9178.700000110.2R453 E466 A468R453-A455 PolarHBondContact O-N 3.42Å; R453-A455 VanDerWaalsContact O-N 3.13Å; A455-E466 HydrophobicContact CB-CB 3.8Å; A455-A468 HydrophobicContact CB-CB 4.28Å
456L90.9Very high72Confident5 Ų574.1 Ų74.13%0.02640%0.404CS..EExtended strand (participates in β ladder)trans-98.2138.3178.9-53.9178.4000108.4F272 P426 W432 E466 I467F272-L456 HydrophobicContact CE2-CB 3.78Å; F272-L456 HydrophobicContact CE2-CD1 3.65Å; F272-L456 HydrophobicContact CE2-CG 4.36Å; F272-L456 HydrophobicContact CZ-CD1 3.59Å; P426-L456 HydrophobicContact CB-CD1 3.44Å; P426-L456 VanDerWaalsContact CB-CD1 3.44Å; P426-L456 HydrophobicContact CG-CD1 3.33Å; W432-L456 VanDerWaalsContact CD1-CD2 3.44Å; W432-L456 HydrophobicContact CG-CD2 4.42Å; W432-L456 HydrophobicContact CZ2-CD2 4.04Å; L456-E466 WeakPolarHBondContact O-CA 3.45Å; L456-I467 PolarHBondContact N-O 3.39Å; L456-I467 PolarHBondContact O-N 3.06Å
457P94.6Very high74.9Confident3 Ų369 Ų692%0.01937%0.371CS..EExtended strand (participates in β ladder)trans-77.7136.3176.832-32.9000111.5A280 W432 L464 V465A280-P457 HydrophobicContact CB-CB 4.02Å; A280-P457 HydrophobicContact CB-CG 4.16Å; W432-P457 HydrophobicContact CE3-CG 3.93Å; W432-P457 HydrophobicContact CH2-CB 4.49Å; W432-P457 HydrophobicContact CH2-CG 2.99Å; W432-P457 HydrophobicContact CZ2-CG 3.85Å; W432-P457 HydrophobicContact CZ3-CG 3.11Å; P457-L464 HydrophobicContact CB-CD1 3.53Å; P457-V465 CarbonylContact C-O 3.56Å; P457-V465 WeakPolarHBondContact CA-O 3.32Å
458W95.9Very high77.3Confident1 Ų164.5 Ų64.50%0.00435%0.345CS..EExtended strand (participates in β ladder)trans-115.4144172.8-69.774.4000108.3A270 F272 I424 I460 L464 V465 I467 V471 I473A270-W458 HydrophobicContact CB-CE3 4.28Å; A270-W458 HydrophobicContact CB-CZ3 4.44Å; F272-W458 HydrophobicContact CB-CD2 4.21Å; F272-W458 HydrophobicContact CB-CE3 3.92Å; F272-W458 HydrophobicContact CB-CH2 3.81Å; F272-W458 HydrophobicContact CB-CZ2 4.11Å; F272-W458 HydrophobicContact CB-CZ3 3.72Å; F272-W458 AromaticContact CD2-CD2 3.87Å; F272-W458 HydrophobicContact CD2-CD2 3.87Å; F272-W458 AromaticContact CD2-CE2 3.36Å; F272-W458 HydrophobicContact CD2-CE3 4.42Å; F272-W458 HydrophobicContact CD2-CG 4.38Å; F272-W458 HydrophobicContact CD2-CH2 4.08Å; F272-W458 AromaticContact CD2-CZ2 3.48Å; F272-W458 HydrophobicContact CD2-CZ2 3.48Å; F272-W458 VanDerWaalsContact CD2-CZ2 3.48Å; F272-W458 AromaticContact CD2-NE1 3.64Å; F272-W458 HydrophobicContact CE2-CZ2 4.07Å; F272-W458 AromaticContact CE2-NE1 3.93Å; F272-W458 HydrophobicContact CG-CD2 4.45Å; F272-W458 AromaticContact CG-CH2 3.99Å; F272-W458 HydrophobicContact CG-CH2 3.99Å; F272-W458 AromaticContact CG-CZ2 3.84Å; F272-W458 HydrophobicContact CG-CZ2 3.84Å; F272-W458 HydrophobicContact CG-CZ3 4.36Å; I424-W458 HydrophobicContact CB-CH2 3.81Å; I424-W458 HydrophobicContact CB-CZ2 4.39Å; I424-W458 HydrophobicContact CD1-CH2 3.62Å; I424-W458 HydrophobicContact CD1-CZ3 3.96Å; I424-W458 HydrophobicContact CG1-CH2 4.24Å; I424-W458 HydrophobicContact CG2-CH2 3.91Å; I424-W458 HydrophobicContact CG2-CZ2 4.21Å; W458-I460 HydrophobicContact CB-CD1 4.48Å; W458-I460 HydrophobicContact CB-CG1 4.12Å; W458-L464 WeakPolarHBondContact O-CA 3.42Å; W458-V465 HydrophobicContact CB-CB 4.43Å; W458-V465 WeakPolarHBondContact CB-O 3.43Å; W458-V465 PolarHBondContact N-O 2.77Å; W458-V465 PolarHBondContact O-N 3.42Å; W458-I467 HydrophobicContact CG-CD1 4.26Å; W458-V471 HydrophobicContact CD2-CG2 4.42Å; W458-V471 HydrophobicContact CH2-CB 3.74Å; W458-V471 HydrophobicContact CH2-CG1 4.12Å; W458-V471 HydrophobicContact CH2-CG2 3.89Å; W458-V471 HydrophobicContact CZ2-CB 3.8Å; W458-V471 HydrophobicContact CZ2-CG2 3.45Å; W458-V471 VanDerWaalsContact CZ2-CG2 3.45Å; W458-V471 HydrophobicContact CZ3-CB 4.37Å; W458-V471 HydrophobicContact CZ3-CG1 4.26Å; W458-I473 HydrophobicContact CZ3-CD1 4.46Å
459N95.2Very high79.3Confident18 Ų1859.9 Ų59.910%0.09632%0.321CS..EExtended strand (participates in β ladder)trans-101.1110.7162.3174.8-13000107A270 M271 L279 G462 E463A270-N459 CarbonylContact C-O 3.51Å; A270-N459 VanDerWaalsContact CA-O 3.22Å; A270-N459 WeakPolarHBondContact CA-O 3.21Å; M271-N459 HydrophobicContact CB-CB 4.27Å; M271-N459 HydrophobicContact CE-CB 4.3Å; M271-N459 WeakPolarHBondContact CE-ND2 3.43Å; M271-N459 PolarHBondContact N-O 3.32Å; M271-N459 PolarHBondContact O-N 2.78Å; L279-N459 HydrophobicContact CB-CB 4.2Å; L279-N459 HydrophobicContact CD2-CB 3.65Å; L279-N459 VanDerWaalsContact CD2-CG 3.49Å; N459-G462 WeakPolarHBondContact OD1-CA 3.22Å; N459-G462 PolarHBondContact OD1-N 3.21Å; N459-E463 WeakPolarHBondContact CA-O 3.22Å
460I94.8Very high82.2Confident0 Ų055.9 Ų55.90%030%0.3CS..EExtended strand (participates in β ladder)trans-114.7112.9173.8-50.8-178.7000107.9F257 R265 S269 A270 W458 G462 E463 V465F257-I460 HydrophobicContact CB-CD1 4.27Å; F257-I460 HydrophobicContact CD1-CD1 4.16Å; F257-I460 HydrophobicContact CD1-CG2 4.35Å; F257-I460 HydrophobicContact CD2-CG2 3.88Å; F257-I460 HydrophobicContact CE1-CG2 4.27Å; F257-I460 HydrophobicContact CE2-CG2 3.75Å; F257-I460 HydrophobicContact CG-CD1 4.13Å; F257-I460 HydrophobicContact CG-CG2 4.18Å; F257-I460 HydrophobicContact CZ-CG2 3.96Å; R265-I460 VanDerWaalsContact CD-CG2 3.5Å; R265-I460 HydrophobicContact CG-CD1 4.38Å; R265-I460 HydrophobicContact CG-CG2 4.04Å; R265-I460 VanDerWaalsContact NE-CG2 3.3Å; S269-I460 CarbonylContact O-C 3.6Å; S269-I460 VanDerWaalsContact O-CA 3.32Å; S269-I460 WeakPolarHBondContact O-CA 3.28Å; S269-I460 WeakPolarHBondContact O-CG2 3.28Å; A270-I460 HydrophobicContact CB-CG1 4.23Å; W458-I460 HydrophobicContact CB-CD1 4.48Å; W458-I460 HydrophobicContact CB-CG1 4.12Å; I460-G462 PolarHBondContact O-N 2.7Å; I460-E463 PolarHBondContact N-O 3.44Å; I460-E463 WeakPolarHBondContact O-CA 3.31Å; I460-E463 VanDerWaalsContact O-CB 3.28Å; I460-E463 WeakPolarHBondContact O-CB 3.49Å; I460-E463 PolarHBondContact O-N 3.1Å; I460-V465 HydrophobicContact CB-CG2 4.46Å; I460-V465 HydrophobicContact CD1-CB 4.32Å; I460-V465 HydrophobicContact CD1-CG2 4.14Å; I460-V465 HydrophobicContact CG1-CG2 4.32Å
461D91.8Very high84.8Confident7 Ų747.4 Ų47.44%0.03726%0.26CS..THydrogen-bonded Turntrans5035.5-174.5-57.9-34.3000115.1A186 R265 G267 F268 S269 E463A186-D461 HydrophobicContact CB-CB 3.75Å; R265-D461 IonicContact CZ-OD2 2.85Å; R265-D461 IonicContact NE-OD2 3.11Å; R265-D461 IonicContact NH2-OD2 2.7Å; R265-D461 PolarHBondContact NH2-OD2 2.81Å; G267-D461 WeakPolarHBondContact CA-OD2 3.46Å; F268-D461 PolarHBondContact N-OD1 3.3Å; F268-D461 PolarHBondContact N-OD2 2.89Å; F268-D461 VanDerWaalsContact N-OD2 3.1Å; S269-D461 PolarHBondContact N-OD1 3.22Å; S269-D461 PolarHBondContact O-N 3.17Å; S269-D461 PolarHBondContact OG-OD1 2.91Å; D461-E463 VanDerWaalsContact C-N 3.29Å; D461-E463 PolarHBondContact O-N 3.29Å
462G88.2Confident87.6Confident40 Ų4043.8 Ų43.841%0.41223%0.232SC..THydrogen-bonded Turntrans83.50.7-177.100000114.4L279 N459 I460L279-G462 WeakPolarHBondContact CD2-O 3.47Å; N459-G462 WeakPolarHBondContact OD1-CA 3.22Å; N459-G462 PolarHBondContact OD1-N 3.21Å; I460-G462 PolarHBondContact O-N 2.7Å
463E89.2Confident90Very high50 Ų5035 Ų3523%0.23419%0.191CC..EExtended strand (participates in β ladder)trans-96.5132.8175.8-166.8179.6176.500111.2K158 R265 N459 I460 D461 V465K158-E463 WeakPolarHBondContact CE-OE1 3.45Å; K158-E463 IonicContact NZ-OE1 2.7Å; K158-E463 PolarHBondContact NZ-OE1 3.25Å; R265-E463 IonicContact CZ-OE2 3.44Å; R265-E463 IonicContact NH1-OE2 2.7Å; R265-E463 PolarHBondContact NH1-OE2 3.38Å; N459-E463 WeakPolarHBondContact CA-O 3.22Å; I460-E463 PolarHBondContact N-O 3.44Å; I460-E463 WeakPolarHBondContact O-CA 3.31Å; I460-E463 VanDerWaalsContact O-CB 3.28Å; I460-E463 WeakPolarHBondContact O-CB 3.49Å; I460-E463 PolarHBondContact O-N 3.1Å; D461-E463 VanDerWaalsContact C-N 3.29Å; D461-E463 PolarHBondContact O-N 3.29Å; E463-V465 PolarHBondContact O-N 2.9Å
464L92.7Very high91.8Very high50 Ų5031.7 Ų31.726%0.26218%0.178SC..EExtended strand (participates in β ladder)trans-77.8120.3174.8-177.667.3000109.5L279 A280 E283 P457 W458L279-L464 HydrophobicContact CD2-CB 4.03Å; L279-L464 HydrophobicContact CG-CB 4.24Å; L279-L464 HydrophobicContact CG-CD1 4.45Å; A280-L464 HydrophobicContact CB-CD1 3.88Å; A280-L464 HydrophobicContact CB-CD2 4.26Å; E283-L464 HydrophobicContact CB-CD2 4.2Å; E283-L464 HydrophobicContact CG-CB 4.19Å; E283-L464 HydrophobicContact CG-CD2 4.13Å; P457-L464 HydrophobicContact CB-CD1 3.53Å; W458-L464 WeakPolarHBondContact O-CA 3.42Å
465V93.8Very high93.1Very high25 Ų2531 Ų3115%0.15217%0.171CC..EExtended strand (participates in β ladder)trans-126.3135175.9-172.50000108.6V264 P457 W458 I460 E463 I467V264-V465 HydrophobicContact CG1-CG1 3.93Å; P457-V465 CarbonylContact C-O 3.56Å; P457-V465 WeakPolarHBondContact CA-O 3.32Å; W458-V465 HydrophobicContact CB-CB 4.43Å; W458-V465 WeakPolarHBondContact CB-O 3.43Å; W458-V465 PolarHBondContact N-O 2.77Å; W458-V465 PolarHBondContact O-N 3.42Å; I460-V465 HydrophobicContact CB-CG2 4.46Å; I460-V465 HydrophobicContact CD1-CB 4.32Å; I460-V465 HydrophobicContact CD1-CG2 4.14Å; I460-V465 HydrophobicContact CG1-CG2 4.32Å; E463-V465 PolarHBondContact O-N 2.9Å; V465-I467 HydrophobicContact CG1-CD1 4.01Å; V465-I467 HydrophobicContact CG1-CG1 3.83Å
466E93.1Very high93.7Very high130 Ų13031 Ų3161%0.60717%0.165SC*.EExtended strand (participates in β ladder)trans-105.4119.8178.8-66.2-175.316500109.8A455 L456A455-E466 HydrophobicContact CB-CB 3.8Å; L456-E466 WeakPolarHBondContact O-CA 3.45Å
467I92.4Very high93.9Very high13 Ų1334.4 Ų34.47%0.06719%0.187CC..EExtended strand (participates in β ladder)trans-133.9124.7-176.2-49.3173.8000109S259 V264 L456 W458 V465 V471S259-I467 WeakPolarHBondContact OG-CG2 3.37Å; V264-I467 HydrophobicContact CG1-CD1 4.35Å; V264-I467 HydrophobicContact CG2-CD1 4.28Å; L456-I467 PolarHBondContact N-O 3.39Å; L456-I467 PolarHBondContact O-N 3.06Å; W458-I467 HydrophobicContact CG-CD1 4.26Å; V465-I467 HydrophobicContact CG1-CD1 4.01Å; V465-I467 HydrophobicContact CG1-CG1 3.83Å; I467-V471 HydrophobicContact CB-CG2 4.15Å; I467-V471 HydrophobicContact CD1-CG2 3.68Å; I467-V471 HydrophobicContact CG2-CG2 3.71Å
468A86.9Confident94Very high25 Ų2539.1 Ų39.121%0.20721%0.205CC..  trans-92.6-21.3-17800000114R453 A455R453-A468 HydrophobicContact CB-CB 3.83Å; R453-A468 WeakPolarHBondContact O-CB 3.35Å; A455-A468 HydrophobicContact CB-CB 4.28Å
469N88.1Confident94.1Very high55 Ų5539.4 Ų39.429%0.29421%0.206SC..SBendtrans-104.1-178.8-173-69.1-31.8000111.6S260 R453 V471S260-N469 PolarHBondContact OG-ND2 3.03Å; R453-N469 PolarHBondContact NH1-OD1 3.27Å; N469-V471 PolarHBondContact O-N 2.79Å
470E94.6Very high94.2Very high65 Ų6538.6 Ų38.630%0.30420%0.202SC..  trans-55138.2170.4-178.5178.190.500110.9S259 R423 I424 R425S259-E470 WeakPolarHBondContact CA-O 3.47Å; S259-E470 WeakPolarHBondContact CB-O 3.39Å; S259-E470 PolarHBondContact OG-O 3.24Å; R423-E470 HydrophobicContact CB-CG 4.43Å; I424-E470 WeakPolarHBondContact O-CA 3.38Å; R425-E470 HydrophobicContact CB-CB 4.18Å; R425-E470 HydrophobicContact CB-CG 4.1Å; R425-E470 HydrophobicContact CG-CB 4.31Å
471V97.2Very high94.4Very high0 Ų039.6 Ų39.60%021%0.208CC..EExtended strand (participates in β ladder)trans-110.4123172178.30000108.4S258 R423 I424 W458 I467 N469 I473S258-V471 CarbonylContact O-C 3.53Å; S258-V471 WeakPolarHBondContact O-CA 3.33Å; R423-V471 WeakPolarHBondContact CA-O 3.48Å; I424-V471 PolarHBondContact N-O 2.99Å; I424-V471 PolarHBondContact O-N 3.22Å; W458-V471 HydrophobicContact CD2-CG2 4.42Å; W458-V471 HydrophobicContact CH2-CB 3.74Å; W458-V471 HydrophobicContact CH2-CG1 4.12Å; W458-V471 HydrophobicContact CH2-CG2 3.89Å; W458-V471 HydrophobicContact CZ2-CB 3.8Å; W458-V471 HydrophobicContact CZ2-CG2 3.45Å; W458-V471 VanDerWaalsContact CZ2-CG2 3.45Å; W458-V471 HydrophobicContact CZ3-CB 4.37Å; W458-V471 HydrophobicContact CZ3-CG1 4.26Å; I467-V471 HydrophobicContact CB-CG2 4.15Å; I467-V471 HydrophobicContact CD1-CG2 3.68Å; I467-V471 HydrophobicContact CG2-CG2 3.71Å; N469-V471 PolarHBondContact O-N 2.79Å; V471-I473 HydrophobicContact CG1-CD1 4.5Å; V471-I473 HydrophobicContact CG1-CG1 3.95Å
472L97.8Very high94.7Very high34 Ų3439.3 Ų39.318%0.17821%0.206CC..EExtended strand (participates in β ladder)trans-100.3122.5170169.366.6000109S258 W345 V422 R423 R474S258-L472 PolarHBondContact N-O 3.3Å; S258-L472 PolarHBondContact O-N 3.22Å; S258-L472 WeakPolarHBondContact OG-CB 3.23Å; S258-L472 PolarHBondContact OG-O 3.32Å; S258-L472 VanDerWaalsContact OG-O 3.1Å; W345-L472 HydrophobicContact CH2-CD1 3.82Å; W345-L472 HydrophobicContact CZ2-CD1 4.38Å; V422-L472 WeakPolarHBondContact O-CA 3.45Å; R423-L472 HydrophobicContact CG-CB 4.3Å; R423-L472 HydrophobicContact CG-CD1 3.6Å; L472-R474 HydrophobicContact CD1-CG 4.05Å; L472-R474 HydrophobicContact CD2-CG 4.48Å; L472-R474 HydrophobicContact CG-CG 4.22Å
473I98.2Very high95.1Very high2 Ų237.6 Ų37.61%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-110.8123.2176.2-49174.9000107C255 S256 F257 A270 V357 A421 V422 I424 W458 V471C255-I473 HydrophobicContact CB-CG2 3.83Å; S256-I473 WeakPolarHBondContact O-CA 3.35Å; F257-I473 HydrophobicContact CD1-CB 4.44Å; F257-I473 HydrophobicContact CD1-CD1 4.07Å; F257-I473 HydrophobicContact CD1-CG1 3.76Å; F257-I473 HydrophobicContact CD1-CG2 4.05Å; F257-I473 HydrophobicContact CE1-CB 4.41Å; F257-I473 HydrophobicContact CE1-CD1 3.87Å; F257-I473 HydrophobicContact CE1-CG1 3.93Å; F257-I473 HydrophobicContact CE1-CG2 3.66Å; F257-I473 HydrophobicContact CZ-CG2 4.23Å; A270-I473 HydrophobicContact CB-CD1 4.28Å; V357-I473 HydrophobicContact CB-CD1 3.98Å; V357-I473 HydrophobicContact CG1-CD1 4.37Å; V357-I473 HydrophobicContact CG1-CG2 4.05Å; V357-I473 HydrophobicContact CG2-CD1 3.81Å; A421-I473 CarbonylContact C-O 3.59Å; A421-I473 WeakPolarHBondContact CA-O 3.48Å; V422-I473 HydrophobicContact CB-CB 4.41Å; V422-I473 PolarHBondContact N-O 3.28Å; V422-I473 PolarHBondContact O-N 3.37Å; I424-I473 HydrophobicContact CD1-CD1 4.36Å; W458-I473 HydrophobicContact CZ3-CD1 4.46Å; V471-I473 HydrophobicContact CG1-CD1 4.5Å; V471-I473 HydrophobicContact CG1-CG1 3.95Å
474R97.4Very high95.4Very high76 Ų7635.2 Ų35.229%0.28718%0.177SC..EExtended strand (participates in β ladder)trans-123.8134.4174.1-73.8-172.3172.1-95.61.4109.7C255 S256 E343 A421 L472 H476C255-R474 CarbonylContact C-O 3.57Å; C255-R474 WeakPolarHBondContact CA-O 3.33Å; S256-R474 PolarHBondContact N-O 2.85Å; S256-R474 PolarHBondContact O-N 2.89Å; S256-R474 VanDerWaalsContact O-N 3.09Å; E343-R474 IonicContact OE1-CZ 3.06Å; E343-R474 IonicContact OE1-NH1 2.89Å; E343-R474 PolarHBondContact OE1-NH1 2.89Å; E343-R474 IonicContact OE1-NH2 2.61Å; E343-R474 PolarHBondContact OE1-NH2 3.18Å; E343-R474 IonicContact OE2-NH2 3.93Å; E343-R474 PolarHBondContact OE2-NH2 2.88Å; A421-R474 HydrophobicContact CB-CG 3.92Å; L472-R474 HydrophobicContact CD1-CG 4.05Å; L472-R474 HydrophobicContact CD2-CG 4.48Å; L472-R474 HydrophobicContact CG-CG 4.22Å; R474-H476 PolarHBondContact O-CD2 2.81Å; R474-H476 VanDerWaalsContact O-CD2 3.27Å; R474-H476 PolarHBondContact O-NE2 2.92Å
475V97.6Very high95.1Very high16 Ų1634.7 Ų34.710%0.09717%0.173CC..EExtended strand (participates in β ladder)trans-84132.9176.4-174.70000109D253 A382 S420D253-V475 HydrophobicContact CB-CG1 4.24Å; A382-V475 HydrophobicContact CB-CG2 3.49Å; A382-V475 VanDerWaalsContact CB-CG2 3.49Å; S420-V475 PolarHBondContact O-N 2.85Å
476H96.9Very high94.4Very high35 Ų3540.2 Ų40.216%0.16220%0.197CC..EExtended strand (participates in β ladder)trans-117.3110.6177-60-75.5000108.6D253 M254 S256 R474 R478 L479D253-H476 WeakPolarHBondContact CA-O 3.17Å; M254-H476 PolarHBondContact N-O 2.87Å; M254-H476 VanDerWaalsContact N-O 3.16Å; M254-H476 WeakPolarHBondContact O-CB 3.31Å; M254-H476 PolarHBondContact O-CD2 2.97Å; M254-H476 PolarHBondContact O-N 2.82Å; S256-H476 WeakPolarHBondContact CB-NE2 3.34Å; S256-H476 PolarHBondContact OG-NE2 3.03Å; R474-H476 PolarHBondContact O-CD2 2.81Å; R474-H476 VanDerWaalsContact O-CD2 3.27Å; R474-H476 PolarHBondContact O-NE2 2.92Å; H476-R478 PolarHBondContact O-N 2.98Å; H476-L479 HydrophobicContact CB-CB 4.04Å; H476-L479 HydrophobicContact CB-CD1 4.21Å; H476-L479 HydrophobicContact CB-CD2 3.88Å; H476-L479 HydrophobicContact CB-CG 4.26Å
477P96.1Very high93.3Very high78 Ų7835.4 Ų35.451%0.50618%0.177SC..EExtended strand (participates in β ladder)trans-60.3130.5-177.1-23.632000112D253 L479D253-P477 WeakPolarHBondContact OD1-CA 3.47Å; P477-L479 PolarHBondContact O-N 2.93Å; P477-L479 VanDerWaalsContact O-N 3.16Å
478R96.3Very high91.6Very high101 Ų10141.8 Ų41.838%0.38121%0.211SC..EExtended strand (participates in β ladder)trans52.841.8169.4-59.4158.9169.7-159.4-4.8112.2R208 Q251 V252 D253 D378 H476 I480R208-R478 PolarHBondContact NE-O 3.13Å; R208-R478 PolarHBondContact NH2-O 3.49Å; Q251-R478 HydrophobicContact CB-CB 3.99Å; Q251-R478 HydrophobicContact CB-CG 3.81Å; V252-R478 CarbonylContact O-C 3.57Å; V252-R478 WeakPolarHBondContact O-CA 3.31Å; D253-R478 PolarHBondContact OD1-N 2.71Å; D378-R478 HydrophobicContact CB-CG 4.01Å; D378-R478 PolarHBondContact O-NE 2.81Å; D378-R478 IonicContact OD2-CZ 3.1Å; D378-R478 IonicContact OD2-NE 3.59Å; D378-R478 PolarHBondContact OD2-NE 3.11Å; D378-R478 IonicContact OD2-NH2 2.81Å; D378-R478 PolarHBondContact OD2-NH2 2.95Å; H476-R478 PolarHBondContact O-N 2.98Å; R478-I480 VanDerWaalsContact C-N 3.31Å
479L97.6Very high90.3Very high8 Ų845.5 Ų45.54%0.04222%0.224CC..EExtended strand (participates in β ladder)trans-74.2-23.1-175.8-168.366.9000112.4V193 P206 R208 A209 V252 M254 F266 H476 P477V193-L479 HydrophobicContact CB-CD2 4.48Å; V193-L479 HydrophobicContact CG1-CD1 4.36Å; V193-L479 HydrophobicContact CG1-CD2 3.54Å; V193-L479 HydrophobicContact CG1-CG 3.94Å; V193-L479 HydrophobicContact CG2-CD2 4.11Å; V193-L479 HydrophobicContact CG2-CG 4.06Å; P206-L479 HydrophobicContact CB-CD1 3.77Å; P206-L479 HydrophobicContact CB-CD2 3.97Å; R208-L479 VanDerWaalsContact CA-O 3.29Å; R208-L479 WeakPolarHBondContact CA-O 3.28Å; A209-L479 PolarHBondContact N-O 2.64Å; V252-L479 PolarHBondContact O-N 2.9Å; V252-L479 VanDerWaalsContact O-N 3.09Å; M254-L479 HydrophobicContact CB-CB 3.94Å; M254-L479 HydrophobicContact CB-CD2 3.95Å; M254-L479 HydrophobicContact CB-CG 4.49Å; M254-L479 HydrophobicContact SD-CD2 4.5Å; F266-L479 HydrophobicContact CD1-CD2 4.04Å; F266-L479 HydrophobicContact CE1-CD2 4.25Å; H476-L479 HydrophobicContact CB-CB 4.04Å; H476-L479 HydrophobicContact CB-CD1 4.21Å; H476-L479 HydrophobicContact CB-CD2 3.88Å; H476-L479 HydrophobicContact CB-CG 4.26Å; P477-L479 PolarHBondContact O-N 2.93Å; P477-L479 VanDerWaalsContact O-N 3.16Å
480I97.9Very high88.8Confident0 Ų043.5 Ų43.50%022%0.215CC..EExtended strand (participates in β ladder)trans-134.7150.8177.5-167.4166.9000110.8C189 L192 A209 V252 M254 F268 R478 L482C189-I480 HydrophobicContact CB-CD1 3.89Å; L192-I480 HydrophobicContact CD1-CD1 4.28Å; A209-I480 HydrophobicContact CB-CG1 4.16Å; V252-I480 HydrophobicContact CB-CG2 4.02Å; V252-I480 PolarHBondContact N-O 2.9Å; V252-I480 PolarHBondContact O-N 3.31Å; M254-I480 HydrophobicContact SD-CG2 4.39Å; F268-I480 HydrophobicContact CE1-CG2 4.09Å; F268-I480 HydrophobicContact CZ-CG2 4.13Å; R478-I480 VanDerWaalsContact C-N 3.31Å; I480-L482 HydrophobicContact CD1-CD2 3.97Å; I480-L482 HydrophobicContact CG1-CD2 4.04Å; I480-L482 HydrophobicContact CG2-CD2 4.42Å
481T98.1Very high86.9Confident22 Ų2243 Ų4314%0.13521%0.213CC..EExtended strand (participates in β ladder)trans-109.2129.6170.8-53.10000108.8P212 L213 L249 Q250P212-T481 CarbonylContact C-O 3.48Å; P212-T481 WeakPolarHBondContact CA-O 3.22Å; P212-T481 HydrophobicContact CB-CG2 4.09Å; L213-T481 PolarHBondContact N-O 3.01Å; L249-T481 HydrophobicContact CB-CG2 3.91Å; L249-T481 HydrophobicContact CD2-CG2 3.95Å; L249-T481 HydrophobicContact CG-CG2 4.37Å; Q250-T481 CarbonylContact O-C 3.52Å; Q250-T481 WeakPolarHBondContact O-CA 3.41Å
482L98Very high84.6Confident0 Ų047.3 Ų47.30%024%0.243CC..EExtended strand (participates in β ladder)trans-114148177.3-56.3-175.5000110.1L213 I215 V227 V231 Q250 V252 I480 G484L213-L482 HydrophobicContact CB-CD2 3.73Å; L213-L482 HydrophobicContact CD2-CD2 4.13Å; L213-L482 HydrophobicContact CG-CD2 4.29Å; L213-L482 CarbonylContact O-C 3.59Å; L213-L482 VanDerWaalsContact O-CA 3.25Å; L213-L482 WeakPolarHBondContact O-CA 3.31Å; I215-L482 HydrophobicContact CD1-CD1 4.02Å; I215-L482 HydrophobicContact CD1-CD2 4.41Å; V227-L482 HydrophobicContact CG1-CD1 4.04Å; V231-L482 HydrophobicContact CG1-CB 4.1Å; V231-L482 HydrophobicContact CG2-CD1 3.56Å; Q250-L482 PolarHBondContact N-O 3.34Å; Q250-L482 PolarHBondContact O-N 3.38Å; V252-L482 HydrophobicContact CB-CD1 4.39Å; V252-L482 HydrophobicContact CG2-CB 4.3Å; V252-L482 HydrophobicContact CG2-CD1 3.83Å; V252-L482 HydrophobicContact CG2-CG 3.89Å; I480-L482 HydrophobicContact CD1-CD2 3.97Å; I480-L482 HydrophobicContact CG1-CD2 4.04Å; I480-L482 HydrophobicContact CG2-CD2 4.42Å; L482-G484 PolarHBondContact O-N 3.18Å
483Y97.9Very high81.9Confident4 Ų450.1 Ų50.12%0.01626%0.261CS..EExtended strand (participates in β ladder)trans-76.2117169.8-70.6-82.9000109.9P115 D174 P212 L213 H232 V244 H248 L249P115-Y483 HydrophobicContact CG-CE1 4.34Å; D174-Y483 PolarHBondContact O-OH 3.44Å; P212-Y483 HydrophobicContact CB-CD2 4.17Å; P212-Y483 HydrophobicContact CB-CE2 3.72Å; P212-Y483 HydrophobicContact CG-CE1 4.36Å; P212-Y483 HydrophobicContact CG-CE2 3.61Å; P212-Y483 VanDerWaalsContact CG-OH 3.28Å; P212-Y483 WeakPolarHBondContact CG-OH 3.34Å; L213-Y483 PolarHBondContact O-N 2.87Å; H232-Y483 PolarHBondContact NE2-O 3.36Å; V244-Y483 HydrophobicContact CB-CG 4.33Å; V244-Y483 HydrophobicContact CG1-CD2 4.43Å; V244-Y483 HydrophobicContact CG1-CE2 4.4Å; V244-Y483 HydrophobicContact CG2-CD2 4.01Å; V244-Y483 HydrophobicContact CG2-CG 3.92Å; H248-Y483 CarbonylContact O-C 3.6Å; H248-Y483 WeakPolarHBondContact O-CA 3.27Å; H248-Y483 WeakPolarHBondContact O-CD1 3.37Å; L249-Y483 HydrophobicContact CD2-CD1 3.67Å; L249-Y483 HydrophobicContact CD2-CE1 3.56Å; L249-Y483 HydrophobicContact CD2-CG 4.36Å
484G94.8Very high79.1Confident1 Ų153.1 Ų53.11%0.0128%0.28CS..  trans167.2-168.1-173.200000111.1H248 L482H248-G484 CarbonylContact C-O 3.56Å; H248-G484 VanDerWaalsContact CB-O 3.27Å; H248-G484 WeakPolarHBondContact CB-O 3.34Å; H248-G484 PolarHBondContact O-N 2.63Å; L482-G484 PolarHBondContact O-N 3.18Å
485E87.4Confident76Confident38 Ų3856.4 Ų56.418%0.17831%0.309CS..  trans-146.9170.5179.566.3-173.1-170.900109.7R77 V231 H243 H248 V487R77-E485 IonicContact CZ-OE1 2.64Å; R77-E485 IonicContact CZ-OE2 2.75Å; R77-E485 IonicContact NH1-OE1 3.04Å; R77-E485 PolarHBondContact NH1-OE1 2.9Å; R77-E485 IonicContact NH2-OE1 2.64Å; R77-E485 PolarHBondContact NH2-OE1 3.37Å; R77-E485 IonicContact NH2-OE2 3.76Å; R77-E485 PolarHBondContact NH2-OE2 3Å; V231-E485 PolarHBondContact O-N 2.84Å; V231-E485 VanDerWaalsContact O-O 3.08Å; H243-E485 VanDerWaalsContact CE1-CD 3.44Å; H243-E485 IonicContact CE1-OE1 3.01Å; H243-E485 IonicContact CE1-OE2 3.83Å; H243-E485 PolarHBondContact CE1-OE2 3.3Å; H248-E485 IonicContact ND1-OE2 2.88Å; E485-V487 PolarHBondContact O-N 2.88Å
486E77.9Confident72.9Confident141 Ų14159.7 Ų59.766%0.65933%0.331SS*.  trans-67.2131.5176.6-165.7174.7-167.500111.3
487V70.3Confident69.8Low30 Ų3063.4 Ų63.418%0.18236%0.361CS..  trans-121.6127.7-174.9173.30000108.7H232 L363 E485 E489H232-V487 VanDerWaalsContact C-CG2 3.48Å; L363-V487 HydrophobicContact CD1-CG1 4.1Å; E485-V487 PolarHBondContact O-N 2.88Å; V487-E489 WeakPolarHBondContact CG1-O 3.38Å
488N56.7Low66.5Low147 Ų14764.5 Ų64.579%0.78637%0.369SS*.SBendtrans-85.3-32.7178.2-66.4-31.4000113.2
489E59Low63.5Low103 Ų10367.5 Ų67.548%0.48139%0.391SS..  trans-154.8160.6-179.5-64.4-171.4144.100111Q80 Q369 V487Q80-E489 PolarHBondContact NE2-O 3.38Å; Q80-E489 PolarHBondContact OE1-O 3.12Å; Q369-E489 PolarHBondContact NE2-OE1 3.31Å; V487-E489 WeakPolarHBondContact CG1-O 3.38Å
490A58.1Low61.8Low12 Ų1270.5 Ų70.510%0.09941%0.409CS..  trans-102.8148.1174.400000114.2G233 L363 P368 S492G233-A490 WeakPolarHBondContact O-CA 3.38Å; G233-A490 VanDerWaalsContact O-CB 3.24Å; G233-A490 WeakPolarHBondContact O-CB 3.33Å; L363-A490 HydrophobicContact CB-CB 4Å; L363-A490 HydrophobicContact CD1-CB 3.94Å; L363-A490 HydrophobicContact CG-CB 4.42Å; P368-A490 PolarHBondContact O-N 2.92Å; A490-S492 PolarHBondContact O-N 3.38Å; A490-S492 VanDerWaalsContact O-N 3.1Å
491E54.4Low59.9Low56 Ų5674.2 Ų74.226%0.26243%0.43SS..  trans-62.3109.4178.4-97.7-174.8-16900111.7Q80 R81 G233 V234 T493Q80-E491 HydrophobicContact CB-CG 4.32Å; Q80-E491 HydrophobicContact CG-CG 4.39Å; R81-E491 IonicContact CZ-OE2 3.95Å; R81-E491 IonicContact NE-OE1 3.16Å; R81-E491 IonicContact NE-OE2 3.58Å; R81-E491 PolarHBondContact NE-OE2 3.11Å; R81-E491 IonicContact NH2-OE2 3.49Å; R81-E491 PolarHBondContact NH2-OE2 2.83Å; G233-E491 PolarHBondContact O-N 2.83Å; V234-E491 HydrophobicContact CG2-CB 4.49Å; E491-T493 PolarHBondContact O-N 3.06Å
492S49.2Very low57.8Low89 Ų8977.1 Ų77.162%0.62245%0.446SS*.  trans-76.887.3173.367.60000110.9A490 V494A490-S492 PolarHBondContact O-N 3.38Å; A490-S492 VanDerWaalsContact O-N 3.1Å; S492-V494 VanDerWaalsContact C-N 3.34Å
493T40.6Very low55.5Low93 Ų9381.6 Ų81.657%0.57147%0.473SS*.  trans-9111.6176.944.70000114.2E491E491-T493 PolarHBondContact O-N 3.06Å
494V38.2Very low52.8Low66 Ų6686.4 Ų86.440%0.450%0.501SS..  trans-123.6103.1-177.8-158.50000111.1P365 S492 C496P365-V494 HydrophobicContact CB-CG2 3.94Å; S492-V494 VanDerWaalsContact C-N 3.34Å; V494-C496 HydrophobicContact CG1-CB 3.59Å; V494-C496 PolarHBondContact O-N 3.02Å
495T32.9Very low50Low145 Ų14592.1 Ų92.189%0.8953%0.534SS*.  trans-69.581.9149.237.80000107.6S497T495-S497 PolarHBondContact O-N 3.06Å
496C33.6Very low47.3Very low85 Ų8596 Ų9657%0.57456%0.559SS**  trans-91.289.1173.3-149.80000109V494 C498V494-C496 HydrophobicContact CG1-CB 3.59Å; V494-C496 PolarHBondContact O-N 3.02Å; C496-C498 PolarHBondContact O-N 3.49Å; C496-C498 VanDerWaalsContact O-N 3.09Å
497S30.5Very low45Very low112 Ų11292.5 Ų92.578%0.78355%0.552SS**  trans-73.580.5156.2530000108.1T495T495-S497 PolarHBondContact O-N 3.06Å
498C27.8Very low42.9Very low101 Ų10197.8 Ų97.868%0.68258%0.583SS**  trans-172.5113.2161.5-96.70000113.9C496C496-C498 PolarHBondContact O-N 3.49Å; C496-C498 VanDerWaalsContact O-N 3.09Å
499I33.4Very low41.6Very low164 Ų16493.3 Ų93.384%0.84156%0.564SS**  trans84.50152-52.5-178.7000118.5K400K400-I499 WeakPolarHBondContact CE-OXT 3.23Å; K400-I499 PolarHBondContact NZ-OXT 2.98Å

Retrieved 499 of 499 residues in 335.8 ms (Link to these results)

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