A0A077Z550_TRITR Loading...

[histone H3]-trimethyl-L-lysine(9) demethylase

AlphaFold DB , UniProt , Accession A0A077Z550, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 742 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
1M29.2Very low73.3Confident241 Ų241107.4 Ų107.4100%1.18756%0.56SS**  0106.70-72.9175.7-179.300107.4C3M1-C3 PolarHBondContact O-N 3.23Å
2M30.7Very low75.3Confident189 Ų18999 Ų9993%0.93152%0.517SS*.PPolyproline II helixtrans-64.9117.9165.3-73.9-171.779.200106.1
3C40.9Very low77Confident117 Ų11797.4 Ų97.479%0.79151%0.514SS*.PPolyproline II helixtrans-58124.1174.7-157.30000106.9M1 S5M1-C3 PolarHBondContact O-N 3.23Å; C3-S5 PolarHBondContact O-N 2.86Å
4P55.9Low78.4Confident58 Ų5894.5 Ų94.538%0.37751%0.511SS..PPolyproline II helixtrans-55.7133.7176.6-3.88.5000108.5E6 Y252P4-E6 PolarHBondContact O-N 2.94Å; P4-Y252 WeakPolarHBondContact CB-O 3.48Å; P4-Y252 WeakPolarHBondContact CG-O 3.1Å
5S71.4Confident79.5Confident83 Ų8399.2 Ų99.258%0.5853%0.529SS*.PPolyproline II helixtrans-58.9124.8179.1-52.90000109.1C3 S253C3-S5 PolarHBondContact O-N 2.86Å; S5-S253 PolarHBondContact O-OG 2.73Å
6E89.2Confident80.6Confident180 Ų18099 Ų9984%0.84152%0.524SS*.PPolyproline II helixtrans-53.6146.2176.4-75.8-172.3156.400110.9P4 P8P4-E6 PolarHBondContact O-N 2.94Å; E6-P8 VanDerWaalsContact O-CD 3.32Å; E6-P8 WeakPolarHBondContact O-CD 3.3Å; E6-P8 VanDerWaalsContact O-N 3.16Å
7V96.7Very high81.6Confident12 Ų1293.5 Ų93.57%0.07349%0.494CS..PPolyproline II helixtrans-63118175.6177.40000108.5V35 L37 V205 V255V7-V35 HydrophobicContact CG2-CG1 4.2Å; V7-L37 HydrophobicContact CG1-CB 4.29Å; V7-L37 HydrophobicContact CG1-CD2 4.31Å; V7-L37 HydrophobicContact CG1-CG 4.17Å; V7-L37 HydrophobicContact CG2-CD2 4.26Å; V7-V205 HydrophobicContact CG2-CG1 4.21Å; V7-V255 HydrophobicContact CB-CB 4.01Å; V7-V255 HydrophobicContact CB-CG1 4.32Å; V7-V255 HydrophobicContact CB-CG2 4.39Å; V7-V255 HydrophobicContact CG1-CB 4.23Å; V7-V255 HydrophobicContact CG1-CG1 4.13Å; V7-V255 HydrophobicContact CG1-CG2 4.39Å; V7-V255 HydrophobicContact CG2-CB 3.97Å; V7-V255 HydrophobicContact CG2-CG1 4.07Å
8P96.8Very high82.3Confident34 Ų3492.7 Ų92.722%0.22150%0.498CS..PPolyproline II helixtrans-65.8139.6-176.127.1-35.5000110.8E6 F10 A32 L37 A38 K39E6-P8 VanDerWaalsContact O-CD 3.32Å; E6-P8 WeakPolarHBondContact O-CD 3.3Å; E6-P8 VanDerWaalsContact O-N 3.16Å; P8-F10 HydrophobicContact CB-CD2 4.44Å; P8-F10 HydrophobicContact CB-CE2 3.64Å; P8-F10 HydrophobicContact CB-CZ 3.96Å; P8-F10 HydrophobicContact CG-CE2 3.83Å; P8-F10 HydrophobicContact CG-CZ 4.35Å; P8-A32 HydrophobicContact CG-CB 3.95Å; P8-L37 WeakPolarHBondContact CD-O 3.31Å; P8-A38 HydrophobicContact CG-CB 4.26Å; P8-K39 PolarHBondContact O-N 2.83Å
9V98.1Very high83Confident58 Ų5892.3 Ų92.335%0.35250%0.495SS..EExtended strand (participates in β ladder)trans-114116.6178.6-176.70000109.3K39 I41V9-K39 WeakPolarHBondContact CA-O 3.46Å; V9-K39 HydrophobicContact CG1-CB 4.49Å; V9-K39 HydrophobicContact CG1-CD 4.02Å; V9-K39 HydrophobicContact CG1-CG 4.4Å; V9-K39 HydrophobicContact CG2-CB 4.23Å; V9-K39 HydrophobicContact CG2-CD 4.19Å; V9-I41 HydrophobicContact CG1-CD1 3.68Å; V9-I41 HydrophobicContact CG1-CG1 4.06Å
10F98.4Very high83.7Confident37 Ų3788.1 Ų88.116%0.16247%0.472CS..EExtended strand (participates in β ladder)trans-103.6140.9178.7-60.9-86.7000111P8 Y23 I27 A30 A32 A38 K39 V40 I41P8-F10 HydrophobicContact CB-CD2 4.44Å; P8-F10 HydrophobicContact CB-CE2 3.64Å; P8-F10 HydrophobicContact CB-CZ 3.96Å; P8-F10 HydrophobicContact CG-CE2 3.83Å; P8-F10 HydrophobicContact CG-CZ 4.35Å; F10-Y23 HydrophobicContact CB-CE1 4.21Å; F10-I27 HydrophobicContact CB-CG2 4.22Å; F10-I27 HydrophobicContact CD1-CB 4.36Å; F10-I27 HydrophobicContact CD1-CG2 3.58Å; F10-I27 HydrophobicContact CD2-CB 4.11Å; F10-I27 HydrophobicContact CD2-CG2 3.69Å; F10-I27 HydrophobicContact CE1-CB 4.03Å; F10-I27 HydrophobicContact CE1-CG2 3.74Å; F10-I27 HydrophobicContact CE2-CB 3.76Å; F10-I27 HydrophobicContact CE2-CG2 3.84Å; F10-I27 HydrophobicContact CG-CB 4.39Å; F10-I27 HydrophobicContact CG-CG2 3.55Å; F10-I27 HydrophobicContact CZ-CB 3.72Å; F10-I27 HydrophobicContact CZ-CG2 3.87Å; F10-A30 HydrophobicContact CE1-CB 3.88Å; F10-A30 HydrophobicContact CZ-CB 4.03Å; F10-A32 HydrophobicContact CE2-CB 4Å; F10-A32 HydrophobicContact CZ-CB 4.18Å; F10-A38 HydrophobicContact CD2-CB 4.21Å; F10-A38 HydrophobicContact CE2-CB 4Å; F10-K39 PolarHBondContact N-O 3.14Å; F10-V40 HydrophobicContact CB-CG2 4.34Å; F10-V40 WeakPolarHBondContact O-CA 3.39Å; F10-I41 PolarHBondContact O-N 3.25Å
11R98.4Very high84.1Confident172 Ų17286 Ų8665%0.64947%0.467SS*.  trans-12978.5-179.6-68.9-180-179.776.7-0109.4I41R11-I41 HydrophobicContact CG-CB 4.22Å; R11-I41 HydrophobicContact CG-CD1 4.44Å
12P98Very high87.2Confident7 Ų776.7 Ų76.75%0.04543%0.429CS..  trans-60.1143.7-179.417.4-26.6000111.8E16 F17 Y23 V40 I41P12-E16 HydrophobicContact CB-CB 3.98Å; P12-F17 HydrophobicContact CB-CB 4Å; P12-F17 HydrophobicContact CB-CD2 4.03Å; P12-F17 HydrophobicContact CB-CG 4.5Å; P12-F17 HydrophobicContact CG-CB 4.24Å; P12-F17 HydrophobicContact CG-CD2 3.38Å; P12-F17 HydrophobicContact CG-CE2 4.11Å; P12-F17 HydrophobicContact CG-CG 4.2Å; P12-Y23 WeakPolarHBondContact CA-OH 3.17Å; P12-Y23 HydrophobicContact CB-CD2 4.26Å; P12-Y23 HydrophobicContact CB-CE1 3.98Å; P12-Y23 HydrophobicContact CB-CE2 3.61Å; P12-Y23 VanDerWaalsContact CB-CZ 3.43Å; P12-Y23 WeakPolarHBondContact CB-OH 3.35Å; P12-Y23 VanDerWaalsContact CD-OH 3.28Å; P12-Y23 WeakPolarHBondContact CD-OH 3.38Å; P12-Y23 HydrophobicContact CG-CE1 3.9Å; P12-Y23 HydrophobicContact CG-CE2 4.43Å; P12-V40 HydrophobicContact CG-CG1 3.81Å; P12-I41 WeakPolarHBondContact CD-O 3.22Å
13T97.5Very high90.4Very high78 Ų7868.5 Ų68.548%0.47939%0.387SS..  trans-64.9163.5158.360.50000110.6E15 E16 F17T13-E15 PolarHBondContact O-N 3.4Å; T13-E16 WeakPolarHBondContact CB-OE2 3.48Å; T13-E16 WeakPolarHBondContact CG2-OE2 3.14Å; T13-E16 PolarHBondContact N-OE2 3.13Å; T13-E16 PolarHBondContact O-N 3.3Å; T13-E16 WeakPolarHBondContact OG1-CB 3.28Å; T13-E16 VanDerWaalsContact OG1-CG 3.27Å; T13-E16 WeakPolarHBondContact OG1-CG 3.36Å; T13-E16 PolarHBondContact OG1-N 2.73Å; T13-E16 PolarHBondContact OG1-OE2 3.19Å; T13-F17 VanDerWaalsContact O-CB 3.28Å; T13-F17 WeakPolarHBondContact O-CB 3.44Å; T13-F17 PolarHBondContact O-N 3.39Å
14A95.7Very high93.1Very high57 Ų5763 Ų6347%0.47135%0.35SS..Hα-helixtrans-56.4-36.2175.800000113S18 E45A14-S18 PolarHBondContact O-N 3.37Å; A14-E45 WeakPolarHBondContact CB-OE1 3.49Å
15E96.1Very high95Very high165 Ų16565.9 Ų65.977%0.77136%0.359SS*.Hα-helixtrans-67.8-50.6177.5-174.4173.7-173.400111.3T13 F17 S18T13-E15 PolarHBondContact O-N 3.4Å; E15-F17 VanDerWaalsContact C-N 3.26Å; E15-F17 PolarHBondContact O-N 3.17Å; E15-S18 VanDerWaalsContact O-CB 3.29Å; E15-S18 WeakPolarHBondContact O-CB 3.22Å; E15-S18 PolarHBondContact O-N 3.22Å; E15-S18 VanDerWaalsContact O-N 3.09Å; E15-S18 PolarHBondContact O-OG 2.95Å
16E96.8Very high96.2Very high96 Ų9664.5 Ų64.545%0.44935%0.349SS..Hα-helixtrans-60.8-36.8175.4-71.2167.413600112.2P12 T13 S18 Y23P12-E16 HydrophobicContact CB-CB 3.98Å; T13-E16 WeakPolarHBondContact CB-OE2 3.48Å; T13-E16 WeakPolarHBondContact CG2-OE2 3.14Å; T13-E16 PolarHBondContact N-OE2 3.13Å; T13-E16 PolarHBondContact O-N 3.3Å; T13-E16 WeakPolarHBondContact OG1-CB 3.28Å; T13-E16 VanDerWaalsContact OG1-CG 3.27Å; T13-E16 WeakPolarHBondContact OG1-CG 3.36Å; T13-E16 PolarHBondContact OG1-N 2.73Å; T13-E16 PolarHBondContact OG1-OE2 3.19Å; E16-S18 PolarHBondContact O-N 3.47Å; E16-Y23 HydrophobicContact CB-CD2 3.76Å; E16-Y23 HydrophobicContact CB-CE2 3.69Å; E16-Y23 HydrophobicContact CG-CE2 4.33Å
17F96.6Very high96.5Very high6 Ų655.9 Ų55.93%0.02631%0.309CS..Hα-helixtrans-71.6-15.2178.8-157.6-112.6000113.2P12 T13 E15 N19 V40 P42 P43 W46 C142 W143 F262P12-F17 HydrophobicContact CB-CB 4Å; P12-F17 HydrophobicContact CB-CD2 4.03Å; P12-F17 HydrophobicContact CB-CG 4.5Å; P12-F17 HydrophobicContact CG-CB 4.24Å; P12-F17 HydrophobicContact CG-CD2 3.38Å; P12-F17 HydrophobicContact CG-CE2 4.11Å; P12-F17 HydrophobicContact CG-CG 4.2Å; T13-F17 VanDerWaalsContact O-CB 3.28Å; T13-F17 WeakPolarHBondContact O-CB 3.44Å; T13-F17 PolarHBondContact O-N 3.39Å; E15-F17 VanDerWaalsContact C-N 3.26Å; E15-F17 PolarHBondContact O-N 3.17Å; F17-N19 VanDerWaalsContact C-N 3.26Å; F17-N19 PolarHBondContact O-N 3.06Å; F17-V40 HydrophobicContact CE2-CG1 4.34Å; F17-P42 HydrophobicContact CE1-CB 4.04Å; F17-P42 HydrophobicContact CE2-CB 3.96Å; F17-P42 HydrophobicContact CZ-CB 3.6Å; F17-P43 HydrophobicContact CB-CG 3.84Å; F17-P43 HydrophobicContact CD1-CG 4.23Å; F17-P43 HydrophobicContact CG-CG 4.03Å; F17-W46 HydrophobicContact CD1-CG 4.2Å; F17-W46 AromaticContact CE1-CD1 3.72Å; F17-W46 AromaticContact CE1-CD2 3.69Å; F17-W46 HydrophobicContact CE1-CD2 3.69Å; F17-W46 AromaticContact CE1-CE2 3.67Å; F17-W46 HydrophobicContact CE1-CE3 4.34Å; F17-W46 AromaticContact CE1-CG 3.74Å; F17-W46 HydrophobicContact CE1-CG 3.74Å; F17-W46 HydrophobicContact CE1-CZ2 4.28Å; F17-W46 AromaticContact CE1-NE1 3.67Å; F17-W46 HydrophobicContact CZ-CD2 4.35Å; F17-C142 PolarHBondContact O-SG 2.89Å; F17-W143 AromaticContact CD1-CD1 3.74Å; F17-W143 HydrophobicContact CD1-CG 4.38Å; F17-W143 AromaticContact CD2-CD1 3.73Å; F17-W143 HydrophobicContact CD2-CD2 4.09Å; F17-W143 AromaticContact CD2-CE2 3.52Å; F17-W143 HydrophobicContact CD2-CG 4.27Å; F17-W143 AromaticContact CD2-CZ2 3.95Å; F17-W143 HydrophobicContact CD2-CZ2 3.95Å; F17-W143 AromaticContact CD2-NE1 3.29Å; F17-W143 VanDerWaalsContact CD2-NE1 3.29Å; F17-W143 HydrophobicContact CE1-CB 3.97Å; F17-W143 AromaticContact CE1-CD1 3.46Å; F17-W143 VanDerWaalsContact CE1-CD1 3.46Å; F17-W143 HydrophobicContact CE1-CD2 4.3Å; F17-W143 AromaticContact CE1-CG 3.67Å; F17-W143 HydrophobicContact CE1-CG 3.67Å; F17-W143 AromaticContact CE2-CD1 3.51Å; F17-W143 AromaticContact CE2-CD2 3.3Å; F17-W143 HydrophobicContact CE2-CD2 3.3Å; F17-W143 AromaticContact CE2-CE2 3.18Å; F17-W143 AromaticContact CE2-CE3 3.86Å; F17-W143 HydrophobicContact CE2-CE3 3.86Å; F17-W143 AromaticContact CE2-CG 3.59Å; F17-W143 HydrophobicContact CE2-CG 3.59Å; F17-W143 HydrophobicContact CE2-CH2 4.25Å; F17-W143 AromaticContact CE2-CZ2 3.71Å; F17-W143 HydrophobicContact CE2-CZ2 3.71Å; F17-W143 HydrophobicContact CE2-CZ3 4.3Å; F17-W143 AromaticContact CE2-NE1 3.32Å; F17-W143 VanDerWaalsContact CE2-NE1 3.32Å; F17-W143 AromaticContact CG-CD1 3.87Å; F17-W143 AromaticContact CG-NE1 3.72Å; F17-W143 HydrophobicContact CZ-CB 3.7Å; F17-W143 AromaticContact CZ-CD1 3.35Å; F17-W143 AromaticContact CZ-CD2 3.41Å; F17-W143 HydrophobicContact CZ-CD2 3.41Å; F17-W143 VanDerWaalsContact CZ-CD2 3.41Å; F17-W143 AromaticContact CZ-CE2 3.76Å; F17-W143 HydrophobicContact CZ-CE3 4.01Å; F17-W143 AromaticContact CZ-CG 3.22Å; F17-W143 HydrophobicContact CZ-CG 3.22Å; F17-W143 AromaticContact CZ-NE1 3.71Å; F17-W143 PolarHBondContact O-NE1 2.85Å; F17-W143 VanDerWaalsContact O-NE1 3.11Å; F17-F262 HydrophobicContact CE2-CE2 4.47Å; F17-F262 HydrophobicContact CZ-CD2 4.4Å; F17-F262 AromaticContact CZ-CE2 3.79Å; F17-F262 HydrophobicContact CZ-CE2 3.79Å; F17-F262 HydrophobicContact CZ-CZ 4.47Å
18S95.2Very high96.4Very high79 Ų7956.8 Ų56.855%0.55231%0.312SS*.THydrogen-bonded Turntrans-72-16.3-176.274.50000114.2A14 E15 E16 C142A14-S18 PolarHBondContact O-N 3.37Å; E15-S18 VanDerWaalsContact O-CB 3.29Å; E15-S18 WeakPolarHBondContact O-CB 3.22Å; E15-S18 PolarHBondContact O-N 3.22Å; E15-S18 VanDerWaalsContact O-N 3.09Å; E15-S18 PolarHBondContact O-OG 2.95Å; E16-S18 PolarHBondContact O-N 3.47Å; S18-C142 PolarHBondContact O-SG 2.95Å
19N94.5Very high96.2Very high85 Ų8559.5 Ų59.546%0.45534%0.337SS..  trans-129.899.7178.4-173.7-24.1000111.1F17 A21 A22 Y23F17-N19 VanDerWaalsContact C-N 3.26Å; F17-N19 PolarHBondContact O-N 3.06Å; N19-A21 PolarHBondContact O-N 2.96Å; N19-A21 PolarHBondContact OD1-N 3.26Å; N19-A22 HydrophobicContact CB-CB 4.05Å; N19-A22 PolarHBondContact OD1-N 3.4Å; N19-A22 VanDerWaalsContact OD1-N 3.12Å; N19-Y23 WeakPolarHBondContact O-CB 2.94Å; N19-Y23 PolarHBondContact O-N 2.93Å
20F96.9Very high96Very high8 Ų860 Ų604%0.03535%0.348CS..Hα-helixtrans-54.6-51.6-179.9175.3-105.8000112.7A22 Y23 I24 C142 W143 L148 T150 I192 I264 F286F20-A22 PolarHBondContact O-N 3.06Å; F20-Y23 PolarHBondContact O-N 3.32Å; F20-I24 HydrophobicContact CD1-CG1 4.34Å; F20-I24 HydrophobicContact CD2-CD1 4.42Å; F20-I24 HydrophobicContact CD2-CG1 4.13Å; F20-I24 HydrophobicContact CE1-CG1 3.9Å; F20-I24 HydrophobicContact CE2-CD1 3.7Å; F20-I24 HydrophobicContact CE2-CG1 3.67Å; F20-I24 HydrophobicContact CG-CG1 4.45Å; F20-I24 HydrophobicContact CZ-CD1 3.85Å; F20-I24 HydrophobicContact CZ-CG1 3.55Å; F20-I24 WeakPolarHBondContact O-CG1 3.48Å; F20-I24 PolarHBondContact O-N 3.15Å; F20-C142 PolarHBondContact N-SG 3.24Å; F20-W143 AromaticContact CD2-CD2 3.66Å; F20-W143 HydrophobicContact CD2-CD2 3.66Å; F20-W143 AromaticContact CD2-CE2 3.67Å; F20-W143 AromaticContact CD2-CE3 3.92Å; F20-W143 HydrophobicContact CD2-CE3 3.92Å; F20-W143 HydrophobicContact CD2-CG 4.17Å; F20-W143 HydrophobicContact CD2-CH2 4.11Å; F20-W143 AromaticContact CD2-CZ2 3.91Å; F20-W143 HydrophobicContact CD2-CZ2 3.91Å; F20-W143 HydrophobicContact CD2-CZ3 4.14Å; F20-W143 HydrophobicContact CE2-CD2 4.27Å; F20-W143 HydrophobicContact CE2-CE3 4.05Å; F20-W143 HydrophobicContact CE2-CH2 4.16Å; F20-W143 HydrophobicContact CE2-CZ2 4.42Å; F20-W143 AromaticContact CE2-CZ3 4Å; F20-W143 HydrophobicContact CE2-CZ3 4Å; F20-L148 HydrophobicContact CD1-CB 4.16Å; F20-L148 HydrophobicContact CD1-CD2 4.16Å; F20-L148 HydrophobicContact CD2-CD2 4.3Å; F20-L148 HydrophobicContact CE1-CB 4.08Å; F20-L148 HydrophobicContact CE1-CD1 4.33Å; F20-L148 HydrophobicContact CE1-CD2 4.08Å; F20-L148 HydrophobicContact CE1-CG 4.38Å; F20-L148 HydrophobicContact CE2-CD2 4.22Å; F20-L148 HydrophobicContact CG-CD2 4.27Å; F20-L148 HydrophobicContact CZ-CD1 4.36Å; F20-L148 HydrophobicContact CZ-CD2 4.11Å; F20-T150 HydrophobicContact CD1-CG2 4.06Å; F20-T150 HydrophobicContact CE1-CG2 3.79Å; F20-I192 HydrophobicContact CE2-CD1 3.82Å; F20-I192 HydrophobicContact CZ-CD1 4.32Å; F20-I264 HydrophobicContact CE2-CD1 4.48Å; F20-F286 HydrophobicContact CE1-CD1 4.49Å; F20-F286 AromaticContact CE1-CD2 3.82Å; F20-F286 HydrophobicContact CE1-CD2 3.82Å; F20-F286 HydrophobicContact CE1-CE2 4.03Å; F20-F286 HydrophobicContact CE1-CG 4.07Å; F20-F286 HydrophobicContact CE1-CZ 4.43Å; F20-F286 HydrophobicContact CZ-CD1 4.03Å; F20-F286 AromaticContact CZ-CD2 3.97Å; F20-F286 HydrophobicContact CZ-CD2 3.97Å; F20-F286 AromaticContact CZ-CE1 3.89Å; F20-F286 HydrophobicContact CZ-CE1 3.89Å; F20-F286 AromaticContact CZ-CE2 3.84Å; F20-F286 HydrophobicContact CZ-CE2 3.84Å; F20-F286 HydrophobicContact CZ-CG 4.06Å; F20-F286 AromaticContact CZ-CZ 3.78Å; F20-F286 HydrophobicContact CZ-CZ 3.78Å
21A93.5Very high95.7Very high43 Ų4359.4 Ų59.436%0.35535%0.352SS..Hα-helixtrans-63.1-46.3-174.700000112N19 Y23 I24 E25N19-A21 PolarHBondContact O-N 2.96Å; N19-A21 PolarHBondContact OD1-N 3.26Å; A21-Y23 VanDerWaalsContact C-N 3.3Å; A21-Y23 PolarHBondContact O-N 2.92Å; A21-I24 PolarHBondContact O-N 2.99Å; A21-E25 WeakPolarHBondContact O-CG 3.44Å; A21-E25 PolarHBondContact O-N 2.88Å
22A94.2Very high95.6Very high47 Ų4751.3 Ų51.339%0.38832%0.321SS..Hα-helixtrans-63.1-37.3177.400000112N19 F20 E25 S26N19-A22 HydrophobicContact CB-CB 4.05Å; N19-A22 PolarHBondContact OD1-N 3.4Å; N19-A22 VanDerWaalsContact OD1-N 3.12Å; F20-A22 PolarHBondContact O-N 3.06Å; A22-E25 PolarHBondContact O-N 2.67Å; A22-S26 PolarHBondContact O-N 3.4Å
23Y97.9Very high95.4Very high16 Ų1651.5 Ų51.56%0.06332%0.323CS..Hα-helixtrans-72.2-34.3177.1-157.7-101.5000112.7F10 P12 E16 N19 F20 A21 E25 S26 I27 V40 W143F10-Y23 HydrophobicContact CB-CE1 4.21Å; P12-Y23 WeakPolarHBondContact CA-OH 3.17Å; P12-Y23 HydrophobicContact CB-CD2 4.26Å; P12-Y23 HydrophobicContact CB-CE1 3.98Å; P12-Y23 HydrophobicContact CB-CE2 3.61Å; P12-Y23 VanDerWaalsContact CB-CZ 3.43Å; P12-Y23 WeakPolarHBondContact CB-OH 3.35Å; P12-Y23 VanDerWaalsContact CD-OH 3.28Å; P12-Y23 WeakPolarHBondContact CD-OH 3.38Å; P12-Y23 HydrophobicContact CG-CE1 3.9Å; P12-Y23 HydrophobicContact CG-CE2 4.43Å; E16-Y23 HydrophobicContact CB-CD2 3.76Å; E16-Y23 HydrophobicContact CB-CE2 3.69Å; E16-Y23 HydrophobicContact CG-CE2 4.33Å; N19-Y23 WeakPolarHBondContact O-CB 2.94Å; N19-Y23 PolarHBondContact O-N 2.93Å; F20-Y23 PolarHBondContact O-N 3.32Å; A21-Y23 VanDerWaalsContact C-N 3.3Å; A21-Y23 PolarHBondContact O-N 2.92Å; Y23-E25 VanDerWaalsContact C-N 3.32Å; Y23-S26 PolarHBondContact O-N 3.45Å; Y23-S26 PolarHBondContact O-OG 3.24Å; Y23-I27 HydrophobicContact CD1-CG2 4.05Å; Y23-I27 HydrophobicContact CE1-CG2 3.75Å; Y23-I27 WeakPolarHBondContact O-CG2 3.27Å; Y23-I27 PolarHBondContact O-N 3Å; Y23-V40 HydrophobicContact CE1-CG1 4.05Å; Y23-W143 HydrophobicContact CD1-CH2 4.19Å; Y23-W143 AromaticContact CD1-CZ2 3.72Å; Y23-W143 HydrophobicContact CD1-CZ2 3.72Å; Y23-W143 HydrophobicContact CG-CZ2 4.32Å
24I97.4Very high95.1Very high3 Ų355.7 Ų55.72%0.01534%0.335CS..Hα-helixtrans-61.3-44.2170.5-67.3-55.1000110.5F20 A21 S26 I27 E28 I264 F286F20-I24 HydrophobicContact CD1-CG1 4.34Å; F20-I24 HydrophobicContact CD2-CD1 4.42Å; F20-I24 HydrophobicContact CD2-CG1 4.13Å; F20-I24 HydrophobicContact CE1-CG1 3.9Å; F20-I24 HydrophobicContact CE2-CD1 3.7Å; F20-I24 HydrophobicContact CE2-CG1 3.67Å; F20-I24 HydrophobicContact CG-CG1 4.45Å; F20-I24 HydrophobicContact CZ-CD1 3.85Å; F20-I24 HydrophobicContact CZ-CG1 3.55Å; F20-I24 WeakPolarHBondContact O-CG1 3.48Å; F20-I24 PolarHBondContact O-N 3.15Å; A21-I24 PolarHBondContact O-N 2.99Å; I24-S26 VanDerWaalsContact C-N 3.3Å; I24-S26 PolarHBondContact O-N 2.95Å; I24-I27 HydrophobicContact CD1-CD1 3.86Å; I24-I27 WeakPolarHBondContact O-CG1 3.42Å; I24-I27 PolarHBondContact O-N 3.03Å; I24-E28 HydrophobicContact CG2-CG 4.41Å; I24-E28 WeakPolarHBondContact O-CB 3.36Å; I24-E28 WeakPolarHBondContact O-CG 3.43Å; I24-E28 PolarHBondContact O-N 3.19Å; I24-I264 HydrophobicContact CD1-CD1 4.12Å; I24-I264 HydrophobicContact CD1-CG1 4.19Å; I24-I264 HydrophobicContact CD1-CG2 4.29Å; I24-F286 HydrophobicContact CD1-CE2 4.38Å; I24-F286 HydrophobicContact CD1-CZ 4Å; I24-F286 HydrophobicContact CG1-CE2 4.04Å; I24-F286 HydrophobicContact CG1-CZ 4.17Å; I24-F286 HydrophobicContact CG2-CE2 4.04Å; I24-F286 HydrophobicContact CG2-CZ 4.47Å
25E94.9Very high95.1Very high117 Ų11753.7 Ų53.755%0.54732%0.316SS..Hα-helixtrans-61.8-37.9176.4-70.7175.6-177.400112.2A21 A22 Y23 E28 A29A21-E25 WeakPolarHBondContact O-CG 3.44Å; A21-E25 PolarHBondContact O-N 2.88Å; A22-E25 PolarHBondContact O-N 2.67Å; Y23-E25 VanDerWaalsContact C-N 3.32Å; E25-E28 PolarHBondContact O-N 3.25Å; E25-A29 WeakPolarHBondContact O-CB 3.37Å; E25-A29 PolarHBondContact O-N 3.44Å
26S96.9Very high95.2Very high54 Ų5445.8 Ų45.838%0.37828%0.279SS..Hα-helixtrans-67-43177.980.20000112.6A22 Y23 I24 E28 A29 A30A22-S26 PolarHBondContact O-N 3.4Å; Y23-S26 PolarHBondContact O-N 3.45Å; Y23-S26 PolarHBondContact O-OG 3.24Å; I24-S26 VanDerWaalsContact C-N 3.3Å; I24-S26 PolarHBondContact O-N 2.95Å; S26-E28 VanDerWaalsContact C-N 3.31Å; S26-E28 PolarHBondContact O-N 3.36Å; S26-A29 PolarHBondContact O-N 2.95Å; S26-A30 PolarHBondContact O-N 3.49Å
27I96.5Very high95.2Very high0 Ų041.3 Ų41.30%026%0.258CS..Hα-helixtrans-70-30.417669.5175.2000111.8F10 Y23 I24 A30 G31 A32 A38 F266F10-I27 HydrophobicContact CB-CG2 4.22Å; F10-I27 HydrophobicContact CD1-CB 4.36Å; F10-I27 HydrophobicContact CD1-CG2 3.58Å; F10-I27 HydrophobicContact CD2-CB 4.11Å; F10-I27 HydrophobicContact CD2-CG2 3.69Å; F10-I27 HydrophobicContact CE1-CB 4.03Å; F10-I27 HydrophobicContact CE1-CG2 3.74Å; F10-I27 HydrophobicContact CE2-CB 3.76Å; F10-I27 HydrophobicContact CE2-CG2 3.84Å; F10-I27 HydrophobicContact CG-CB 4.39Å; F10-I27 HydrophobicContact CG-CG2 3.55Å; F10-I27 HydrophobicContact CZ-CB 3.72Å; F10-I27 HydrophobicContact CZ-CG2 3.87Å; Y23-I27 HydrophobicContact CD1-CG2 4.05Å; Y23-I27 HydrophobicContact CE1-CG2 3.75Å; Y23-I27 WeakPolarHBondContact O-CG2 3.27Å; Y23-I27 PolarHBondContact O-N 3Å; I24-I27 HydrophobicContact CD1-CD1 3.86Å; I24-I27 WeakPolarHBondContact O-CG1 3.42Å; I24-I27 PolarHBondContact O-N 3.03Å; I27-A30 PolarHBondContact O-N 3.04Å; I27-G31 PolarHBondContact O-N 2.95Å; I27-A32 HydrophobicContact CB-CB 4.45Å; I27-A32 WeakPolarHBondContact O-CB 3.18Å; I27-A32 PolarHBondContact O-N 3.37Å; I27-A38 HydrophobicContact CD1-CB 4.39Å; I27-F266 HydrophobicContact CD1-CZ 3.94Å; I27-F266 HydrophobicContact CG1-CZ 4.23Å
28E93.2Very high95.3Very high31 Ų3141 Ų4115%0.14526%0.257CS..Hα-helixtrans-64.7-46.1171.5-75.4-162.5166.800111.7I24 E25 S26 A30 G31 P33 H190 F266 N288 R290I24-E28 HydrophobicContact CG2-CG 4.41Å; I24-E28 WeakPolarHBondContact O-CB 3.36Å; I24-E28 WeakPolarHBondContact O-CG 3.43Å; I24-E28 PolarHBondContact O-N 3.19Å; E25-E28 PolarHBondContact O-N 3.25Å; S26-E28 VanDerWaalsContact C-N 3.31Å; S26-E28 PolarHBondContact O-N 3.36Å; E28-A30 VanDerWaalsContact C-N 3.25Å; E28-A30 PolarHBondContact O-N 2.97Å; E28-G31 PolarHBondContact O-N 3.24Å; E28-P33 HydrophobicContact CB-CG 4.04Å; E28-P33 HydrophobicContact CG-CG 3.7Å; E28-H190 IonicContact OE1-CD2 2.91Å; E28-H190 IonicContact OE1-CE1 3.69Å; E28-H190 IonicContact OE1-NE2 2.72Å; E28-H190 PolarHBondContact OE1-NE2 3.4Å; E28-F266 HydrophobicContact CG-CD1 4.24Å; E28-F266 HydrophobicContact CG-CE1 3.68Å; E28-N288 PolarHBondContact OE1-ND2 2.87Å; E28-N288 PolarHBondContact OE2-ND2 2.85Å; E28-R290 WeakPolarHBondContact OE2-CD 3.29Å
29A92.6Very high95.5Very high90 Ų9038 Ų3874%0.74423%0.234SC*.Hα-helixtrans-62.1-33.1175.600000112.4E25 S26 G31E25-A29 WeakPolarHBondContact O-CB 3.37Å; E25-A29 PolarHBondContact O-N 3.44Å; S26-A29 PolarHBondContact O-N 2.95Å; A29-G31 PolarHBondContact O-N 3.32Å
30A93.9Very high95.7Very high70 Ų7034 Ų3458%0.57921%0.213SC*.THydrogen-bonded Turntrans-71.1-5.1173.600000114F10 S26 I27 E28F10-A30 HydrophobicContact CE1-CB 3.88Å; F10-A30 HydrophobicContact CZ-CB 4.03Å; S26-A30 PolarHBondContact O-N 3.49Å; I27-A30 PolarHBondContact O-N 3.04Å; E28-A30 VanDerWaalsContact C-N 3.25Å; E28-A30 PolarHBondContact O-N 2.97Å
31G93.1Very high95.8Very high23 Ų2335.7 Ų35.724%0.23722%0.222CC..THydrogen-bonded Turntrans93.410.4174.200000115.2I27 E28 A29 P33 K34I27-G31 PolarHBondContact O-N 2.95Å; E28-G31 PolarHBondContact O-N 3.24Å; A29-G31 PolarHBondContact O-N 3.32Å; G31-P33 VanDerWaalsContact C-N 3.3Å; G31-K34 WeakPolarHBondContact O-CB 3.24Å; G31-K34 PolarHBondContact O-N 2.88Å
32A95.5Very high96Very high2 Ų234.4 Ų34.42%0.01721%0.21CC..G310 helixtrans-52.9-36.6177.100000115P8 F10 I27 K34 V35 G36 A38 F266P8-A32 HydrophobicContact CG-CB 3.95Å; F10-A32 HydrophobicContact CE2-CB 4Å; F10-A32 HydrophobicContact CZ-CB 4.18Å; I27-A32 HydrophobicContact CB-CB 4.45Å; I27-A32 WeakPolarHBondContact O-CB 3.18Å; I27-A32 PolarHBondContact O-N 3.37Å; A32-K34 PolarHBondContact O-N 2.9Å; A32-K34 VanDerWaalsContact O-N 3.12Å; A32-V35 PolarHBondContact O-N 2.94Å; A32-G36 PolarHBondContact O-N 3.42Å; A32-G36 VanDerWaalsContact O-N 3.17Å; A32-A38 HydrophobicContact CB-CB 4.07Å; A32-F266 HydrophobicContact CB-CE2 3.66Å; A32-F266 HydrophobicContact CB-CZ 3.52Å
33P93.7Very high96.1Very high12 Ų1232.9 Ų32.98%0.07820%0.196CC..G310 helixtrans-59.3-22.9175.1-28.334.9000114.9E28 G31 V35 G36 P208 F266E28-P33 HydrophobicContact CB-CG 4.04Å; E28-P33 HydrophobicContact CG-CG 3.7Å; G31-P33 VanDerWaalsContact C-N 3.3Å; P33-V35 VanDerWaalsContact C-N 3.26Å; P33-V35 PolarHBondContact O-N 3.27Å; P33-G36 PolarHBondContact O-N 3.18Å; P33-P208 WeakPolarHBondContact O-CD 3.33Å; P33-F266 HydrophobicContact CB-CB 4.47Å; P33-F266 HydrophobicContact CB-CD1 4.22Å; P33-F266 HydrophobicContact CB-CG 4.26Å; P33-F266 HydrophobicContact CG-CD1 3.71Å; P33-F266 HydrophobicContact CG-CE1 3.86Å; P33-F266 HydrophobicContact CG-CG 4.2Å; P33-F266 HydrophobicContact CG-CZ 4.44Å
34K92.6Very high96Very high166 Ų16636.1 Ų36.172%0.72223%0.226SC*.G310 helixtrans-68.3-28.5176.9-64.1-176.5178.3179.10112G31 A32 S207G31-K34 WeakPolarHBondContact O-CB 3.24Å; G31-K34 PolarHBondContact O-N 2.88Å; A32-K34 PolarHBondContact O-N 2.9Å; A32-K34 VanDerWaalsContact O-N 3.12Å; K34-S207 WeakPolarHBondContact O-CB 3.47Å
35V96.1Very high95.8Very high14 Ų1442.2 Ų42.29%0.08525%0.254CS..THydrogen-bonded Turntrans-85.3-33.4172.7-173.50000110.7V7 A32 P33 L37 V205 S207V7-V35 HydrophobicContact CG2-CG1 4.2Å; A32-V35 PolarHBondContact O-N 2.94Å; P33-V35 VanDerWaalsContact C-N 3.26Å; P33-V35 PolarHBondContact O-N 3.27Å; V35-L37 VanDerWaalsContact C-N 3.34Å; V35-V205 HydrophobicContact CG1-CG1 4.2Å; V35-V205 WeakPolarHBondContact O-CG2 3.41Å; V35-S207 WeakPolarHBondContact O-CA 3.27Å
36G96.8Very high95.8Very high0 Ų038.5 Ų38.50%024%0.235CC..SBendtrans91-6.1-179.300000114.3A32 P33 F266 A269A32-G36 PolarHBondContact O-N 3.42Å; A32-G36 VanDerWaalsContact O-N 3.17Å; P33-G36 PolarHBondContact O-N 3.18Å; G36-F266 PolarHBondContact O-N 3.06Å; G36-A269 VanDerWaalsContact CA-CB 3.43Å; G36-A269 WeakPolarHBondContact O-CB 3.09Å
37L98.1Very high95.6Very high1 Ų143.3 Ų43.31%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-143.5145.3177.2-170.268.5000109.4V7 P8 V35 W203 V205 V255 M263 I264 T265V7-L37 HydrophobicContact CG1-CB 4.29Å; V7-L37 HydrophobicContact CG1-CD2 4.31Å; V7-L37 HydrophobicContact CG1-CG 4.17Å; V7-L37 HydrophobicContact CG2-CD2 4.26Å; P8-L37 WeakPolarHBondContact CD-O 3.31Å; V35-L37 VanDerWaalsContact C-N 3.34Å; L37-W203 HydrophobicContact CD1-CE3 4.27Å; L37-W203 HydrophobicContact CD2-CB 4.01Å; L37-V205 HydrophobicContact CB-CB 3.93Å; L37-V205 HydrophobicContact CB-CG1 3.83Å; L37-V205 HydrophobicContact CB-CG2 3.9Å; L37-V205 HydrophobicContact CD2-CB 4.13Å; L37-V205 HydrophobicContact CD2-CG1 4.14Å; L37-V255 HydrophobicContact CD2-CG1 3.55Å; L37-M263 HydrophobicContact CD1-CE 3.7Å; L37-M263 HydrophobicContact CD2-CE 3.55Å; L37-M263 HydrophobicContact CG-CE 3.45Å; L37-M263 VanDerWaalsContact CG-CE 3.45Å; L37-I264 CarbonylContact C-O 3.59Å; L37-I264 WeakPolarHBondContact CA-O 3.37Å; L37-I264 WeakPolarHBondContact CD1-O 3.2Å; L37-T265 HydrophobicContact CD1-CG2 3.76Å
38A98.4Very high95.5Very high0 Ų043.4 Ų43.40%025%0.245CC..EExtended strand (participates in β ladder)trans-136.8148.6169.800000110.9P8 F10 I27 A32 M263 I264 F266P8-A38 HydrophobicContact CG-CB 4.26Å; F10-A38 HydrophobicContact CD2-CB 4.21Å; F10-A38 HydrophobicContact CE2-CB 4Å; I27-A38 HydrophobicContact CD1-CB 4.39Å; A32-A38 HydrophobicContact CB-CB 4.07Å; A38-M263 WeakPolarHBondContact O-CA 3.34Å; A38-I264 PolarHBondContact N-O 3.36Å; A38-I264 PolarHBondContact O-N 3.01Å; A38-F266 HydrophobicContact CB-CE2 3.79Å; A38-F266 HydrophobicContact CB-CZ 4.14Å
39K98.7Very high95.5Very high17 Ų1742.3 Ų42.37%0.07424%0.241CC..EExtended strand (participates in β ladder)trans-102.3134.6168.2-178.7-172.7-65.9-155.60109.6P8 V9 F10 I41 V255 I256 E261 F262 M263P8-K39 PolarHBondContact O-N 2.83Å; V9-K39 WeakPolarHBondContact CA-O 3.46Å; V9-K39 HydrophobicContact CG1-CB 4.49Å; V9-K39 HydrophobicContact CG1-CD 4.02Å; V9-K39 HydrophobicContact CG1-CG 4.4Å; V9-K39 HydrophobicContact CG2-CB 4.23Å; V9-K39 HydrophobicContact CG2-CD 4.19Å; F10-K39 PolarHBondContact N-O 3.14Å; K39-I41 HydrophobicContact CD-CD1 4.28Å; K39-I41 HydrophobicContact CD-CG1 4.04Å; K39-I41 HydrophobicContact CG-CG1 4.28Å; K39-V255 VanDerWaalsContact CE-CG2 3.48Å; K39-I256 WeakPolarHBondContact CE-O 3.28Å; K39-I256 PolarHBondContact NZ-O 3.05Å; K39-E261 WeakPolarHBondContact CD-OE2 3.47Å; K39-E261 VanDerWaalsContact CE-OE2 3.3Å; K39-E261 WeakPolarHBondContact CE-OE2 3.34Å; K39-E261 IonicContact NZ-OE1 2.64Å; K39-E261 PolarHBondContact NZ-OE1 2.83Å; K39-E261 IonicContact NZ-OE2 2.64Å; K39-E261 PolarHBondContact NZ-OE2 2.67Å; K39-F262 WeakPolarHBondContact CA-O 3.18Å; K39-M263 HydrophobicContact CB-CE 4.32Å; K39-M263 HydrophobicContact CB-SD 3.86Å; K39-M263 HydrophobicContact CG-SD 3.99Å
40V98.7Very high95.3Very high0 Ų042 Ų420%023%0.227CC..EExtended strand (participates in β ladder)trans-120.5121.1170.8-174.30000109F10 P12 F17 Y23 W143 F262 I264F10-V40 HydrophobicContact CB-CG2 4.34Å; F10-V40 WeakPolarHBondContact O-CA 3.39Å; P12-V40 HydrophobicContact CG-CG1 3.81Å; F17-V40 HydrophobicContact CE2-CG1 4.34Å; Y23-V40 HydrophobicContact CE1-CG1 4.05Å; V40-W143 HydrophobicContact CB-CH2 4.01Å; V40-W143 HydrophobicContact CB-CZ3 4.18Å; V40-W143 HydrophobicContact CG1-CH2 3.73Å; V40-W143 HydrophobicContact CG1-CZ2 4.26Å; V40-W143 HydrophobicContact CG1-CZ3 4.17Å; V40-W143 HydrophobicContact CG2-CH2 3.95Å; V40-W143 HydrophobicContact CG2-CZ3 4.39Å; V40-F262 HydrophobicContact CB-CB 4.19Å; V40-F262 PolarHBondContact N-O 3.05Å; V40-F262 PolarHBondContact O-N 2.72Å; V40-I264 HydrophobicContact CG2-CG1 4.32Å
41I98.6Very high95Very high44 Ų4443 Ų4323%0.22623%0.227CC..  trans-98.8111.6176.1-56.3177.8000107V9 F10 R11 P12 K39 E261V9-I41 HydrophobicContact CG1-CD1 3.68Å; V9-I41 HydrophobicContact CG1-CG1 4.06Å; F10-I41 PolarHBondContact O-N 3.25Å; R11-I41 HydrophobicContact CG-CB 4.22Å; R11-I41 HydrophobicContact CG-CD1 4.44Å; P12-I41 WeakPolarHBondContact CD-O 3.22Å; K39-I41 HydrophobicContact CD-CD1 4.28Å; K39-I41 HydrophobicContact CD-CG1 4.04Å; K39-I41 HydrophobicContact CG-CG1 4.28Å; I41-E261 HydrophobicContact CG1-CG 4.24Å
42P98.1Very high94.5Very high16 Ų1647.2 Ų47.210%0.10425%0.252CS..  trans-64.8161.9-17728.6-34.4000111.8F17 W46 G260 F262F17-P42 HydrophobicContact CE1-CB 4.04Å; F17-P42 HydrophobicContact CE2-CB 3.96Å; F17-P42 HydrophobicContact CZ-CB 3.6Å; P42-W46 HydrophobicContact CB-CB 4.49Å; P42-W46 HydrophobicContact CB-CD2 4.24Å; P42-W46 HydrophobicContact CB-CE3 3.66Å; P42-W46 HydrophobicContact CB-CZ3 4.27Å; P42-W46 HydrophobicContact CG-CE3 3.86Å; P42-W46 HydrophobicContact CG-CZ3 4.17Å; P42-G260 WeakPolarHBondContact CD-O 3.37Å; P42-G260 WeakPolarHBondContact CG-O 3.21Å; P42-F262 HydrophobicContact CB-CE2 4.32Å; P42-F262 HydrophobicContact CG-CD2 4.38Å; P42-F262 HydrophobicContact CG-CE2 4.28Å
43P97.6Very high94Very high14 Ų1448.8 Ų48.89%0.09126%0.263CS..  trans-52.3144.1172.6-23.731.9000112.1F17 E45 W46F17-P43 HydrophobicContact CB-CG 3.84Å; F17-P43 HydrophobicContact CD1-CG 4.23Å; F17-P43 HydrophobicContact CG-CG 4.03Å; P43-E45 VanDerWaalsContact CB-CD 3.5Å; P43-E45 HydrophobicContact CB-CG 4.4Å; P43-E45 WeakPolarHBondContact CB-OE1 3Å; P43-E45 WeakPolarHBondContact CB-OE2 3.23Å; P43-E45 PolarHBondContact O-N 2.99Å; P43-E45 VanDerWaalsContact O-N 3.1Å; P43-W46 HydrophobicContact CB-CB 4.42Å; P43-W46 WeakPolarHBondContact O-CB 3.19Å; P43-W46 PolarHBondContact O-N 2.89Å
44A94.9Very high93.8Very high84 Ų8450.2 Ų50.269%0.69427%0.267SS*.THydrogen-bonded Turntrans-63.2-21.9-171.600000113.8R47A44-R47 VanDerWaalsContact O-CZ 3.29Å; A44-R47 PolarHBondContact O-NH1 2.99Å; A44-R47 PolarHBondContact O-NH2 3.13Å
45E92.4Very high93.3Very high131 Ų13147.3 Ų47.361%0.61226%0.256SS*.THydrogen-bonded Turntrans-86.1-19.8176.566.8-84.6-158.100113.5A14 P43A14-E45 WeakPolarHBondContact CB-OE1 3.49Å; P43-E45 VanDerWaalsContact CB-CD 3.5Å; P43-E45 HydrophobicContact CB-CG 4.4Å; P43-E45 WeakPolarHBondContact CB-OE1 3Å; P43-E45 WeakPolarHBondContact CB-OE2 3.23Å; P43-E45 PolarHBondContact O-N 2.99Å; P43-E45 VanDerWaalsContact O-N 3.1Å
46W95.2Very high92.7Very high40 Ų4049.1 Ų49.115%0.15227%0.265CS..  trans-76.2134.7-177.1-178.889.7000111.2F17 P42 P43 P48 F136 V140 W143 Y194 F262F17-W46 HydrophobicContact CD1-CG 4.2Å; F17-W46 AromaticContact CE1-CD1 3.72Å; F17-W46 AromaticContact CE1-CD2 3.69Å; F17-W46 HydrophobicContact CE1-CD2 3.69Å; F17-W46 AromaticContact CE1-CE2 3.67Å; F17-W46 HydrophobicContact CE1-CE3 4.34Å; F17-W46 AromaticContact CE1-CG 3.74Å; F17-W46 HydrophobicContact CE1-CG 3.74Å; F17-W46 HydrophobicContact CE1-CZ2 4.28Å; F17-W46 AromaticContact CE1-NE1 3.67Å; F17-W46 HydrophobicContact CZ-CD2 4.35Å; P42-W46 HydrophobicContact CB-CB 4.49Å; P42-W46 HydrophobicContact CB-CD2 4.24Å; P42-W46 HydrophobicContact CB-CE3 3.66Å; P42-W46 HydrophobicContact CB-CZ3 4.27Å; P42-W46 HydrophobicContact CG-CE3 3.86Å; P42-W46 HydrophobicContact CG-CZ3 4.17Å; P43-W46 HydrophobicContact CB-CB 4.42Å; P43-W46 WeakPolarHBondContact O-CB 3.19Å; P43-W46 PolarHBondContact O-N 2.89Å; W46-P48 HydrophobicContact CH2-CB 3.66Å; W46-P48 HydrophobicContact CH2-CG 4.4Å; W46-P48 HydrophobicContact CZ2-CB 4.3Å; W46-P48 HydrophobicContact CZ3-CB 4.09Å; W46-P48 HydrophobicContact CZ3-CG 4.36Å; W46-F136 AromaticContact CH2-CE1 3.62Å; W46-F136 HydrophobicContact CH2-CE1 3.62Å; W46-F136 HydrophobicContact CH2-CZ 4.14Å; W46-F136 AromaticContact CZ2-CE1 3.79Å; W46-F136 HydrophobicContact CZ2-CE1 3.79Å; W46-V140 HydrophobicContact CZ2-CG1 3.94Å; W46-W143 HydrophobicContact CZ2-CB 4.27Å; W46-Y194 HydrophobicContact CH2-CE2 4.27Å; W46-Y194 AromaticContact CZ3-CE2 3.74Å; W46-Y194 HydrophobicContact CZ3-CE2 3.74Å; W46-Y194 AromaticContact CZ3-CZ 3.88Å; W46-F262 AromaticContact CH2-CE2 3.74Å; W46-F262 HydrophobicContact CH2-CE2 3.74Å; W46-F262 AromaticContact CH2-CZ 3.5Å; W46-F262 HydrophobicContact CH2-CZ 3.5Å; W46-F262 VanDerWaalsContact CH2-CZ 3.5Å; W46-F262 HydrophobicContact CZ2-CZ 4.24Å; W46-F262 AromaticContact CZ3-CE2 3.74Å; W46-F262 HydrophobicContact CZ3-CE2 3.74Å; W46-F262 AromaticContact CZ3-CZ 3.98Å; W46-F262 HydrophobicContact CZ3-CZ 3.98Å
47R93.5Very high91.9Very high155 Ų15555 Ų5559%0.58530%0.303SS*.  trans-132.2138.7175.8-63.1-68.8177.3-83.7-6.3109.8A44A44-R47 VanDerWaalsContact O-CZ 3.29Å; A44-R47 PolarHBondContact O-NH1 2.99Å; A44-R47 PolarHBondContact O-NH2 3.13Å
48P95.1Very high91.3Very high1 Ų163.9 Ų63.91%0.00634%0.342CS..SBendtrans-77.4-28.5178.633-38.8000112.8W46 F136 D137 V140 Y194W46-P48 HydrophobicContact CH2-CB 3.66Å; W46-P48 HydrophobicContact CH2-CG 4.4Å; W46-P48 HydrophobicContact CZ2-CB 4.3Å; W46-P48 HydrophobicContact CZ3-CB 4.09Å; W46-P48 HydrophobicContact CZ3-CG 4.36Å; P48-F136 HydrophobicContact CB-CD1 3.76Å; P48-F136 HydrophobicContact CB-CD2 4.44Å; P48-F136 HydrophobicContact CB-CE1 3.63Å; P48-F136 HydrophobicContact CB-CE2 4.3Å; P48-F136 HydrophobicContact CB-CG 4.18Å; P48-F136 HydrophobicContact CB-CZ 3.91Å; P48-F136 WeakPolarHBondContact O-CA 3.48Å; P48-D137 PolarHBondContact O-N 3.49Å; P48-V140 WeakPolarHBondContact O-CG2 3.35Å; P48-Y194 HydrophobicContact CB-CE1 4Å; P48-Y194 WeakPolarHBondContact CD-OH 3.45Å; P48-Y194 HydrophobicContact CG-CE1 3.57Å; P48-Y194 WeakPolarHBondContact CG-OH 3.18Å
49C92.5Very high90.8Very high8 Ų865 Ų655%0.05435%0.348CS..SBendtrans-165.1169-178.755.50000112Y54 L135 D137C49-Y54 WeakPolarHBondContact SG-CE1 3.47Å; C49-L135 WeakPolarHBondContact CB-O 3.26Å; C49-L135 PolarHBondContact SG-O 3.24Å; C49-D137 WeakPolarHBondContact CA-OD2 3.41Å; C49-D137 HydrophobicContact CB-CB 4.39Å
50D88.5Confident90.5Very high85 Ų8569.9 Ų69.946%0.45537%0.366SS..  trans-62.5129.5163.5-166.8-57.2000110.9C52 S53 D137D50-C52 PolarHBondContact O-N 3.14Å; D50-C52 VanDerWaalsContact OD1-CB 3.29Å; D50-C52 WeakPolarHBondContact OD1-CB 3.3Å; D50-C52 PolarHBondContact OD1-N 2.83Å; D50-S53 VanDerWaalsContact O-CB 3.27Å; D50-S53 WeakPolarHBondContact O-CB 3.4Å; D50-S53 PolarHBondContact O-N 2.96Å; D50-D137 PolarHBondContact N-OD2 3.3Å
51P86.7Confident90.2Very high89 Ų8969.9 Ų69.958%0.57837%0.366SS*.G310 helixtrans-52.9-26.1176.6-27.835.6000115.3S53 Y54P51-S53 PolarHBondContact O-N 3.02Å; P51-Y54 HydrophobicContact CB-CD2 4.44Å; P51-Y54 HydrophobicContact CB-CE2 4.41Å; P51-Y54 WeakPolarHBondContact O-CB 3.41Å; P51-Y54 WeakPolarHBondContact O-CD2 3.36Å; P51-Y54 PolarHBondContact O-N 3.4Å
52C83.8Confident89.8Confident112 Ų11276.4 Ų76.476%0.75739%0.388SS*.G310 helixtrans-64-22.2175.3-70.50000113.1D50 Y54D50-C52 PolarHBondContact O-N 3.14Å; D50-C52 VanDerWaalsContact OD1-CB 3.29Å; D50-C52 WeakPolarHBondContact OD1-CB 3.3Å; D50-C52 PolarHBondContact OD1-N 2.83Å; C52-Y54 PolarHBondContact O-N 3.09Å
53S85.2Confident89.4Confident35 Ų3579.2 Ų79.225%0.24541%0.408CS..G310 helixtrans-71.4-15.7177.5-67.40000113.4D50 P51 E55 N56D50-S53 VanDerWaalsContact O-CB 3.27Å; D50-S53 WeakPolarHBondContact O-CB 3.4Å; D50-S53 PolarHBondContact O-N 2.96Å; P51-S53 PolarHBondContact O-N 3.02Å; S53-E55 VanDerWaalsContact C-N 3.27Å; S53-E55 PolarHBondContact O-N 2.91Å; S53-N56 VanDerWaalsContact O-CB 3.25Å; S53-N56 WeakPolarHBondContact O-CB 3.44Å; S53-N56 PolarHBondContact O-N 2.96Å; S53-N56 VanDerWaalsContact O-N 3.13Å
54Y88.6Confident89.2Confident42 Ų4278.6 Ų78.617%0.16540%0.403CS..G310 helixtrans-68.2-21.3-177.7-66.6-27.8000114.9C49 P51 C52 L135 H196 F197C49-Y54 WeakPolarHBondContact SG-CE1 3.47Å; P51-Y54 HydrophobicContact CB-CD2 4.44Å; P51-Y54 HydrophobicContact CB-CE2 4.41Å; P51-Y54 WeakPolarHBondContact O-CB 3.41Å; P51-Y54 WeakPolarHBondContact O-CD2 3.36Å; P51-Y54 PolarHBondContact O-N 3.4Å; C52-Y54 PolarHBondContact O-N 3.09Å; Y54-L135 HydrophobicContact CD1-CD1 4.13Å; Y54-H196 HydrophobicContact CD1-CB 4.39Å; Y54-H196 HydrophobicContact CE1-CB 3.72Å; Y54-H196 AromaticContact CE1-CG 3.95Å; Y54-H196 AromaticContact CE1-ND1 3.62Å; Y54-F197 AromaticContact CD1-CD1 3.6Å; Y54-F197 HydrophobicContact CD1-CD1 3.6Å; Y54-F197 AromaticContact CD1-CE1 3.86Å; Y54-F197 HydrophobicContact CD1-CE1 3.86Å; Y54-F197 HydrophobicContact CD2-CB 4.28Å; Y54-F197 AromaticContact CD2-CD1 3.69Å; Y54-F197 HydrophobicContact CD2-CD1 3.69Å; Y54-F197 HydrophobicContact CD2-CE1 4.41Å; Y54-F197 HydrophobicContact CD2-CG 4.29Å; Y54-F197 HydrophobicContact CE1-CD1 4.05Å; Y54-F197 HydrophobicContact CE2-CB 4.23Å; Y54-F197 HydrophobicContact CE2-CD1 4.14Å; Y54-F197 AromaticContact CG-CD1 3.4Å; Y54-F197 HydrophobicContact CG-CD1 3.4Å; Y54-F197 AromaticContact CG-CE1 3.72Å; Y54-F197 HydrophobicContact CG-CE1 3.72Å; Y54-F197 HydrophobicContact CG-CG 4.38Å
55E81.4Confident89.2Confident105 Ų10575.8 Ų75.849%0.49138%0.376SS..G310 helixtrans-108.132.3172.1-62.7-154.7169.800112.2S53 P57 R93S53-E55 VanDerWaalsContact C-N 3.27Å; S53-E55 PolarHBondContact O-N 2.91Å; E55-P57 VanDerWaalsContact O-CD 3.26Å; E55-P57 WeakPolarHBondContact O-CD 3.13Å; E55-R93 IonicContact OE1-NH1 3.04Å; E55-R93 PolarHBondContact OE1-NH1 3.44Å
56N83.7Confident89.3Confident52 Ų5270.1 Ų70.128%0.27835%0.351SS..  trans-54.8112.9-179.1-176.4-14.6000111.8S53 K58 I59S53-N56 VanDerWaalsContact O-CB 3.25Å; S53-N56 WeakPolarHBondContact O-CB 3.44Å; S53-N56 PolarHBondContact O-N 2.96Å; S53-N56 VanDerWaalsContact O-N 3.13Å; N56-K58 PolarHBondContact O-N 2.83Å; N56-K58 VanDerWaalsContact O-N 3.11Å; N56-K58 VanDerWaalsContact OD1-CB 3.27Å; N56-K58 WeakPolarHBondContact OD1-CB 3.06Å; N56-K58 PolarHBondContact OD1-N 3.38Å; N56-I59 HydrophobicContact CB-CD1 4.11Å; N56-I59 HydrophobicContact CB-CG1 4.32Å; N56-I59 PolarHBondContact O-N 3.47Å; N56-I59 VanDerWaalsContact O-N 3.12Å
57P81Confident89.3Confident123 Ų12368.6 Ų68.680%0.79935%0.346SS*.THydrogen-bonded Turntrans-70-12.4-174.328.7-35.7000113.2E55 I59E55-P57 VanDerWaalsContact O-CD 3.26Å; E55-P57 WeakPolarHBondContact O-CD 3.13Å; P57-I59 VanDerWaalsContact C-N 3.31Å
58K84.5Confident89.3Confident189 Ų18964.6 Ų64.682%0.82234%0.335SS*.THydrogen-bonded Turntrans-75.8-20.6175.9-60.2-179.9179.4176.40112.5N56N56-K58 PolarHBondContact O-N 2.83Å; N56-K58 VanDerWaalsContact O-N 3.11Å; N56-K58 VanDerWaalsContact OD1-CB 3.27Å; N56-K58 WeakPolarHBondContact OD1-CB 3.06Å; N56-K58 PolarHBondContact OD1-N 3.38Å
59I88Confident89.2Confident22 Ų2265.5 Ų65.511%0.11334%0.34CS..  trans-88.8116.3179.4-59.7175.1000108.3N56 P57 I89 T131 L135 L171 F173N56-I59 HydrophobicContact CB-CD1 4.11Å; N56-I59 HydrophobicContact CB-CG1 4.32Å; N56-I59 PolarHBondContact O-N 3.47Å; N56-I59 VanDerWaalsContact O-N 3.12Å; P57-I59 VanDerWaalsContact C-N 3.31Å; I59-I89 HydrophobicContact CB-CD1 3.98Å; I59-I89 HydrophobicContact CG2-CD1 4.04Å; I59-T131 HydrophobicContact CG2-CG2 4.17Å; I59-L135 HydrophobicContact CD1-CD2 3.58Å; I59-L135 HydrophobicContact CD1-CG 4.49Å; I59-L171 HydrophobicContact CD1-CD1 3.85Å; I59-L171 HydrophobicContact CG2-CD1 4.06Å; I59-F173 HydrophobicContact CG2-CE2 4.41Å; I59-F173 HydrophobicContact CG2-CZ 4.3Å
60R92.4Very high89.2Confident120 Ų12068.4 Ų68.445%0.45336%0.361SS..EExtended strand (participates in β ladder)trans-111.6137.6170.8-78.6-17470.794.1-0.6110R62 S86R60-R62 PolarHBondContact O-N 2.9Å; R60-R62 VanDerWaalsContact O-N 3.12Å; R60-S86 VanDerWaalsContact NH2-C 3.34Å; R60-S86 PolarHBondContact NH2-O 2.83Å; R60-S86 PolarHBondContact NH2-OG 3.44Å
61I93.2Very high89.3Confident0 Ų066.8 Ų66.80%036%0.364CS..EExtended strand (participates in β ladder)trans-7799.1169.1-51.4176000106.2P64 S86 M87 F92 F173I61-P64 HydrophobicContact CB-CG 4.33Å; I61-P64 HydrophobicContact CG2-CB 4.15Å; I61-P64 HydrophobicContact CG2-CG 3.71Å; I61-S86 WeakPolarHBondContact O-CA 3.22Å; I61-S86 WeakPolarHBondContact O-CB 3.28Å; I61-M87 HydrophobicContact CB-CG 4.28Å; I61-M87 HydrophobicContact CD1-CG 4.41Å; I61-M87 PolarHBondContact N-O 3.46Å; I61-M87 PolarHBondContact O-N 3.37Å; I61-F92 HydrophobicContact CD1-CB 3.52Å; I61-F92 HydrophobicContact CD1-CD1 4.35Å; I61-F92 HydrophobicContact CD1-CD2 3.54Å; I61-F92 HydrophobicContact CD1-CE2 4.35Å; I61-F92 HydrophobicContact CD1-CG 3.53Å; I61-F173 HydrophobicContact CD1-CB 3.87Å; I61-F173 HydrophobicContact CD1-CD1 4.49Å; I61-F173 HydrophobicContact CD1-CD2 3.68Å; I61-F173 HydrophobicContact CD1-CE2 4.37Å; I61-F173 HydrophobicContact CD1-CG 3.75Å; I61-F173 HydrophobicContact CG1-CD2 3.7Å; I61-F173 HydrophobicContact CG1-CE2 4.02Å; I61-F173 HydrophobicContact CG1-CG 4.28Å
62R88.9Confident89.6Confident182 Ų18270 Ų7069%0.68737%0.369SS*.SBendtrans-70.7-43.6-169.8-66.4-174.9-176.4176.11.7112.5R60 S86R60-R62 PolarHBondContact O-N 2.9Å; R60-R62 VanDerWaalsContact O-N 3.12Å; R62-S86 WeakPolarHBondContact O-CA 3.21Å; R62-S86 WeakPolarHBondContact O-CB 3.42Å
63S91Very high89.9Confident75 Ų7570.6 Ų70.652%0.52437%0.365SS..SBendtrans-13370.5-174.8-56.60000111.1I65S63-I65 PolarHBondContact O-N 3.41Å
64P93.5Very high90.3Very high0 Ų069.1 Ų69.10%036%0.355CS..PPolyproline II helixtrans-58.7126.3174-12.824.7000110.2I61 M87 I126I61-P64 HydrophobicContact CB-CG 4.33Å; I61-P64 HydrophobicContact CG2-CB 4.15Å; I61-P64 HydrophobicContact CG2-CG 3.71Å; P64-M87 HydrophobicContact CB-CE 4.33Å; P64-M87 HydrophobicContact CG-CE 3.95Å; P64-M87 HydrophobicContact CG-CG 4.06Å; P64-M87 HydrophobicContact CG-SD 4.46Å; P64-I126 HydrophobicContact CB-CG2 3.8Å
65I94.3Very high90.6Very high25 Ų2569.1 Ų69.113%0.12836%0.358CS..EExtended strand (participates in β ladder)trans-94.8129.5-179.751.3162000110.3S63 N80 I126 Y127 A129S63-I65 PolarHBondContact O-N 3.41Å; I65-N80 HydrophobicContact CB-CB 4.15Å; I65-N80 HydrophobicContact CD1-CB 4.22Å; I65-N80 WeakPolarHBondContact CD1-ND2 3.12Å; I65-N80 HydrophobicContact CG2-CB 4.19Å; I65-I126 CarbonylContact O-C 3.35Å; I65-I126 VanDerWaalsContact O-CA 3.3Å; I65-I126 WeakPolarHBondContact O-CA 3.25Å; I65-Y127 HydrophobicContact CD1-CD1 4.28Å; I65-Y127 WeakPolarHBondContact CG1-O 3.38Å; I65-Y127 PolarHBondContact N-O 2.69Å; I65-Y127 PolarHBondContact O-N 3.06Å; I65-A129 HydrophobicContact CD1-CB 4.07Å; I65-A129 HydrophobicContact CG1-CB 4.38Å
66T94.8Very high91.4Very high13 Ų1364.9 Ų64.98%0.0834%0.337CS..EExtended strand (participates in β ladder)trans-88.5124.3166.3-57.40000108.7I68 A81 L83 A125 I126T66-I68 PolarHBondContact O-N 3.49Å; T66-A81 WeakPolarHBondContact CA-O 3.08Å; T66-A81 WeakPolarHBondContact CB-O 3.34Å; T66-A81 PolarHBondContact N-O 3.32Å; T66-A81 PolarHBondContact O-N 2.82Å; T66-L83 HydrophobicContact CG2-CD1 4.09Å; T66-A125 WeakPolarHBondContact CA-O 3.46Å; T66-I126 HydrophobicContact CG2-CG1 4.5Å
67Q95.1Very high92Very high8 Ų865.5 Ų65.54%0.03734%0.339CS..EExtended strand (participates in β ladder)trans-90.7109.5-177.8-59.7-169.6-59.600110.2L78 G124 A125 T179Q67-L78 HydrophobicContact CB-CD2 4.3Å; Q67-G124 PolarHBondContact O-N 3.36Å; Q67-A125 PolarHBondContact N-O 2.87Å; Q67-T179 PolarHBondContact NE2-O 2.7Å
68I93.2Very high92.6Very high70 Ų7060 Ų6036%0.35930%0.302SS..EExtended strand (participates in β ladder)trans-90.1134.3173.6-55.8172.5000107.1T66 L78 R79 A81T66-I68 PolarHBondContact O-N 3.49Å; I68-L78 CarbonylContact O-C 3.48Å; I68-L78 WeakPolarHBondContact O-CA 3.33Å; I68-R79 HydrophobicContact CB-CB 4.45Å; I68-R79 PolarHBondContact N-O 3.19Å; I68-R79 PolarHBondContact O-N 2.95Å; I68-A81 HydrophobicContact CD1-CB 3.88Å
69V92.9Very high93Very high21 Ų2157.3 Ų57.313%0.12729%0.287CS..EExtended strand (participates in β ladder)trans-117130-177.8-176.50000108.6Y76 L78 L120V69-Y76 HydrophobicContact CG1-CD1 3.86Å; V69-Y76 HydrophobicContact CG1-CG 4.08Å; V69-L78 HydrophobicContact CG2-CD2 3.8Å; V69-L120 HydrophobicContact CG1-CG 4.22Å; V69-L120 HydrophobicContact CG2-CD1 3.98Å; V69-L120 HydrophobicContact CG2-CG 4.31Å; V69-L120 WeakPolarHBondContact CG2-O 3.32Å
70S93.3Very high93.1Very high69 Ų6960.3 Ų60.348%0.48330%0.303SS..EExtended strand (participates in β ladder)trans-120159.6167.663.60000109.8Y76 Q77S70-Y76 CarbonylContact O-C 3.4Å; S70-Y76 WeakPolarHBondContact O-CA 3.34Å; S70-Q77 PolarHBondContact N-O 3.26Å; S70-Q77 PolarHBondContact O-N 3.46Å; S70-Q77 PolarHBondContact OG-O 3.03Å
71G91Very high92.8Very high51 Ų5155.1 Ų55.153%0.52629%0.286SS..EExtended strand (participates in β ladder)trans108.1-176.6-17800000113.4L75G71-L75 CarbonylContact C-O 3.25Å; G71-L75 VanDerWaalsContact CA-O 3.31Å; G71-L75 WeakPolarHBondContact CA-O 3.08Å
72K91.4Very high92.4Very high156 Ų15659.3 Ų59.368%0.67832%0.315SS*.EExtended strand (participates in β ladder)trans-159.6164.4-172.560.6-179.4178.9179.20111.3G74 L75K72-G74 VanDerWaalsContact C-N 3.33Å; K72-G74 PolarHBondContact O-N 2.86Å; K72-L75 PolarHBondContact N-O 3.42Å; K72-L75 PolarHBondContact O-N 3.45Å
73N91Very high92Very high124 Ų12456.5 Ų56.566%0.66331%0.313SS*.THydrogen-bonded Turntrans50.747.5172.5-60.4-12000113.5L75N73-L75 PolarHBondContact O-N 2.93Å
74G93.1Very high91.7Very high4 Ų455.1 Ų55.14%0.04130%0.301CS..THydrogen-bonded Turntrans79.5-5.6179.200000115.9K72 Y76 M240 A241K72-G74 VanDerWaalsContact C-N 3.33Å; K72-G74 PolarHBondContact O-N 2.86Å; G74-Y76 PolarHBondContact N-OH 3.29Å; G74-M240 CarbonylContact O-C 3.58Å; G74-M240 VanDerWaalsContact O-CA 3.32Å; G74-M240 WeakPolarHBondContact O-CA 3.29Å; G74-A241 VanDerWaalsContact CA-CB 3.42Å; G74-A241 PolarHBondContact O-N 3.36Å
75L96.1Very high91.4Very high43 Ų4360 Ų6023%0.22533%0.334CS..EExtended strand (participates in β ladder)trans-108.7104.5175.6-64.5174000109.1G71 K72 N73 M221 F222 M240 I244G71-L75 CarbonylContact C-O 3.25Å; G71-L75 VanDerWaalsContact CA-O 3.31Å; G71-L75 WeakPolarHBondContact CA-O 3.08Å; K72-L75 PolarHBondContact N-O 3.42Å; K72-L75 PolarHBondContact O-N 3.45Å; N73-L75 PolarHBondContact O-N 2.93Å; L75-M221 HydrophobicContact CD1-CB 4.48Å; L75-M221 HydrophobicContact CD1-SD 3.9Å; L75-M221 HydrophobicContact CD2-CB 4.06Å; L75-M221 HydrophobicContact CD2-CG 4.11Å; L75-M221 HydrophobicContact CD2-SD 4.43Å; L75-F222 HydrophobicContact CB-CZ 4.11Å; L75-F222 HydrophobicContact CD2-CE2 4.06Å; L75-F222 HydrophobicContact CD2-CZ 4.37Å; L75-M240 HydrophobicContact CD2-CE 3.7Å; L75-M240 HydrophobicContact CD2-CG 4Å; L75-M240 HydrophobicContact CD2-SD 4.45Å; L75-I244 HydrophobicContact CD2-CG1 4.28Å; L75-I244 HydrophobicContact CD2-CG2 4.16Å; L75-I244 HydrophobicContact CG-CD1 4.46Å; L75-I244 HydrophobicContact CG-CG1 4.46Å
76Y96.6Very high91.3Very high16 Ų1661.3 Ų61.36%0.06335%0.346CS..EExtended strand (participates in β ladder)trans-128147.6-175.3-54.7-74.1000112.7V69 S70 G74 W117 L120 P121 A239V69-Y76 HydrophobicContact CG1-CD1 3.86Å; V69-Y76 HydrophobicContact CG1-CG 4.08Å; S70-Y76 CarbonylContact O-C 3.4Å; S70-Y76 WeakPolarHBondContact O-CA 3.34Å; G74-Y76 PolarHBondContact N-OH 3.29Å; Y76-W117 HydrophobicContact CD2-CE3 4.26Å; Y76-W117 HydrophobicContact CD2-CZ3 4.04Å; Y76-W117 HydrophobicContact CE2-CE3 4.07Å; Y76-W117 HydrophobicContact CE2-CZ3 4.3Å; Y76-L120 HydrophobicContact CD2-CD2 3.8Å; Y76-L120 HydrophobicContact CE2-CD2 4.31Å; Y76-L120 HydrophobicContact CG-CD2 4.23Å; Y76-P121 HydrophobicContact CD1-CG 4.47Å; Y76-P121 HydrophobicContact CE1-CB 4.13Å; Y76-P121 HydrophobicContact CE1-CG 3.55Å; Y76-A239 PolarHBondContact N-O 3.19Å; Y76-A239 PolarHBondContact O-N 2.99Å
77Q96.1Very high91.3Very high65 Ų6561.5 Ų61.530%0.30435%0.346SS..EExtended strand (participates in β ladder)trans-117.2124.7169.3-164.2167.519.300109.2S70 F222 T225 T237 I238S70-Q77 PolarHBondContact N-O 3.26Å; S70-Q77 PolarHBondContact O-N 3.46Å; S70-Q77 PolarHBondContact OG-O 3.03Å; Q77-F222 HydrophobicContact CB-CE1 4.45Å; Q77-T225 PolarHBondContact NE2-OG1 3.49Å; Q77-T237 CarbonylContact C-O 3.57Å; Q77-T237 WeakPolarHBondContact CA-O 3.48Å; Q77-I238 HydrophobicContact CG-CD1 4.2Å
78L94.9Very high91.2Very high6 Ų662.7 Ų62.73%0.03136%0.355CS..EExtended strand (participates in β ladder)trans-89.6134.6177-70.5147.7000109.1Q67 I68 V69 T179 A181 T237 A239Q67-L78 HydrophobicContact CB-CD2 4.3Å; I68-L78 CarbonylContact O-C 3.48Å; I68-L78 WeakPolarHBondContact O-CA 3.33Å; V69-L78 HydrophobicContact CG2-CD2 3.8Å; L78-T179 HydrophobicContact CD1-CG2 3.73Å; L78-T179 HydrophobicContact CD2-CG2 4.43Å; L78-A181 HydrophobicContact CD1-CB 3.81Å; L78-T237 WeakPolarHBondContact CB-O 3.34Å; L78-T237 PolarHBondContact N-O 2.86Å; L78-T237 VanDerWaalsContact O-CB 3.32Å; L78-T237 WeakPolarHBondContact O-CB 3.23Å; L78-T237 WeakPolarHBondContact O-CG2 3.17Å; L78-A239 HydrophobicContact CD1-CB 3.78Å; L78-A239 HydrophobicContact CG-CB 4.4Å
79R92.2Very high91.2Very high134 Ų13459.6 Ų59.651%0.50634%0.34SS..EExtended strand (participates in β ladder)trans-124.9125.9169.4-161.6-178.493.5125.31.3109.2I68 H700I68-R79 HydrophobicContact CB-CB 4.45Å; I68-R79 PolarHBondContact N-O 3.19Å; I68-R79 PolarHBondContact O-N 2.95Å; R79-H700 PolarHBondContact NH1-NE2 3.12Å
80N90.2Very high91.2Very high84 Ų8460.8 Ų60.845%0.44935%0.349SS..EExtended strand (participates in β ladder)trans-86.8131.2176.8-65.1-20.6000109.6I65I65-N80 HydrophobicContact CB-CB 4.15Å; I65-N80 HydrophobicContact CD1-CB 4.22Å; I65-N80 WeakPolarHBondContact CD1-ND2 3.12Å; I65-N80 HydrophobicContact CG2-CB 4.19Å
81A86.4Confident91.3Very high12 Ų1261 Ų6110%0.09935%0.345CS..EExtended strand (participates in β ladder)trans-132.2127.8174.200000109.8T66 I68 L83T66-A81 WeakPolarHBondContact CA-O 3.08Å; T66-A81 WeakPolarHBondContact CB-O 3.34Å; T66-A81 PolarHBondContact N-O 3.32Å; T66-A81 PolarHBondContact O-N 2.82Å; I68-A81 HydrophobicContact CD1-CB 3.88Å; A81-L83 HydrophobicContact CB-CD1 4.28Å; A81-L83 HydrophobicContact CB-CD2 4.08Å; A81-L83 HydrophobicContact CB-CG 3.81Å; A81-L83 PolarHBondContact O-N 3.11Å
82C85.4Confident91.5Very high88 Ų8858.6 Ų58.660%0.59532%0.32SS*.  trans-77.871.1175.7-66.40000110.7V84C82-V84 VanDerWaalsContact C-N 3.34Å
83L80.6Confident91.7Very high123 Ų12356.9 Ų56.964%0.64431%0.309SS*.  trans-86.4-6.5-178.3-58.1179.9000113.4T66 A81T66-L83 HydrophobicContact CG2-CD1 4.09Å; A81-L83 HydrophobicContact CB-CD1 4.28Å; A81-L83 HydrophobicContact CB-CD2 4.08Å; A81-L83 HydrophobicContact CB-CG 3.81Å; A81-L83 PolarHBondContact O-N 3.11Å
84V83.1Confident92Very high46 Ų4657.3 Ų57.328%0.27931%0.305SS..SBendtrans-124.4135.2-177-165.70000109.4C82 M87 I126C82-V84 VanDerWaalsContact C-N 3.34Å; V84-M87 HydrophobicContact CB-CE 4.22Å; V84-M87 HydrophobicContact CG1-CE 3.28Å; V84-I126 HydrophobicContact CG2-CD1 3.75Å; V84-I126 HydrophobicContact CG2-CG1 4.19Å
85S87.3Confident92.2Very high101 Ų10159.3 Ų59.371%0.70631%0.314SS*.  trans-64159.5178.7-490000111.8M87S85-M87 PolarHBondContact O-N 3.33Å
86S92.8Very high92.2Very high53 Ų5357.4 Ų57.437%0.37131%0.305SS..  trans-50.7142.2172.576.60000111.8R60 I61 R62R60-S86 VanDerWaalsContact NH2-C 3.34Å; R60-S86 PolarHBondContact NH2-O 2.83Å; R60-S86 PolarHBondContact NH2-OG 3.44Å; I61-S86 WeakPolarHBondContact O-CA 3.22Å; I61-S86 WeakPolarHBondContact O-CB 3.28Å; R62-S86 WeakPolarHBondContact O-CA 3.21Å; R62-S86 WeakPolarHBondContact O-CB 3.42Å
87M94.3Very high92.2Very high18 Ų1861 Ų619%0.08933%0.328CS..EExtended strand (participates in β ladder)trans-143.4162.7-174.964.8179.170.200112.7I61 P64 V84 S85 D91 F92 L95I61-M87 HydrophobicContact CB-CG 4.28Å; I61-M87 HydrophobicContact CD1-CG 4.41Å; I61-M87 PolarHBondContact N-O 3.46Å; I61-M87 PolarHBondContact O-N 3.37Å; P64-M87 HydrophobicContact CB-CE 4.33Å; P64-M87 HydrophobicContact CG-CE 3.95Å; P64-M87 HydrophobicContact CG-CG 4.06Å; P64-M87 HydrophobicContact CG-SD 4.46Å; V84-M87 HydrophobicContact CB-CE 4.22Å; V84-M87 HydrophobicContact CG1-CE 3.28Å; S85-M87 PolarHBondContact O-N 3.33Å; M87-D91 HydrophobicContact CB-CB 4.22Å; M87-F92 HydrophobicContact CG-CB 4.27Å; M87-F92 HydrophobicContact SD-CB 3.68Å; M87-F92 HydrophobicContact SD-CD2 3.69Å; M87-F92 HydrophobicContact SD-CG 4.16Å; M87-L95 HydrophobicContact CE-CD2 4.08Å; M87-L95 HydrophobicContact SD-CD2 4.36Å
88S93.7Very high92.3Very high32 Ų3259.3 Ų59.322%0.22432%0.323CS..EExtended strand (participates in β ladder)trans-77.4162.4172.173.40000111.2S90 D91 F92S88-S90 VanDerWaalsContact C-N 3.27Å; S88-S90 PolarHBondContact O-N 3.46Å; S88-D91 PolarHBondContact O-N 3.34Å; S88-D91 PolarHBondContact OG-N 3.25Å; S88-D91 PolarHBondContact OG-OD2 3.3Å; S88-F92 PolarHBondContact O-N 3.35Å
89I93.3Very high92.3Very high6 Ų665.4 Ų65.43%0.03136%0.364CS..Hα-helixtrans-57.7-42.8172.4-61.7175.5000110.6I59 D91 F92 R93 F173 Y278I59-I89 HydrophobicContact CB-CD1 3.98Å; I59-I89 HydrophobicContact CG2-CD1 4.04Å; I89-D91 PolarHBondContact O-N 3.08Å; I89-F92 PolarHBondContact O-N 3.19Å; I89-R93 WeakPolarHBondContact O-CB 3.39Å; I89-R93 PolarHBondContact O-N 2.84Å; I89-F173 HydrophobicContact CB-CE1 4.43Å; I89-F173 HydrophobicContact CD1-CE1 3.82Å; I89-F173 HydrophobicContact CD1-CZ 3.65Å; I89-F173 HydrophobicContact CG1-CE1 3.76Å; I89-F173 HydrophobicContact CG1-CZ 3.73Å; I89-F173 HydrophobicContact CG2-CD1 4.37Å; I89-F173 HydrophobicContact CG2-CE1 3.91Å; I89-Y278 VanDerWaalsContact CG2-OH 3.3Å; I89-Y278 WeakPolarHBondContact CG2-OH 3.34Å
90S92.7Very high92.3Very high45 Ų4566.9 Ų66.932%0.31537%0.374SS..Hα-helixtrans-61.3-42.4177.6152.30000112.2S88 R93 K94S88-S90 VanDerWaalsContact C-N 3.27Å; S88-S90 PolarHBondContact O-N 3.46Å; S90-R93 WeakPolarHBondContact O-CB 3.46Å; S90-R93 PolarHBondContact O-N 3.32Å; S90-K94 WeakPolarHBondContact O-CG 3.12Å; S90-K94 PolarHBondContact O-N 3.28Å
91D94.8Very high92.6Very high75 Ų7563.4 Ų63.440%0.40136%0.355SS..Hα-helixtrans-68.8-39.7178.8-60.1-37.4000111.4M87 S88 I89 R93 K94 L95M87-D91 HydrophobicContact CB-CB 4.22Å; S88-D91 PolarHBondContact O-N 3.34Å; S88-D91 PolarHBondContact OG-N 3.25Å; S88-D91 PolarHBondContact OG-OD2 3.3Å; I89-D91 PolarHBondContact O-N 3.08Å; D91-R93 VanDerWaalsContact C-N 3.33Å; D91-R93 PolarHBondContact O-N 3.17Å; D91-K94 PolarHBondContact O-N 3.47Å; D91-K94 IonicContact OD1-NZ 3.68Å; D91-L95 WeakPolarHBondContact O-CB 3.48Å; D91-L95 PolarHBondContact O-N 2.91Å
92F96.1Very high93.1Very high0 Ų064.6 Ų64.60%037%0.365CS..Hα-helixtrans-61.5-41.6172.9-171.5-83.5000111.7I61 M87 S88 I89 L95 A96 I126 F173 G174 M175 Y278I61-F92 HydrophobicContact CD1-CB 3.52Å; I61-F92 HydrophobicContact CD1-CD1 4.35Å; I61-F92 HydrophobicContact CD1-CD2 3.54Å; I61-F92 HydrophobicContact CD1-CE2 4.35Å; I61-F92 HydrophobicContact CD1-CG 3.53Å; M87-F92 HydrophobicContact CG-CB 4.27Å; M87-F92 HydrophobicContact SD-CB 3.68Å; M87-F92 HydrophobicContact SD-CD2 3.69Å; M87-F92 HydrophobicContact SD-CG 4.16Å; S88-F92 PolarHBondContact O-N 3.35Å; I89-F92 PolarHBondContact O-N 3.19Å; F92-L95 WeakPolarHBondContact O-CB 3.44Å; F92-L95 PolarHBondContact O-N 3.36Å; F92-A96 HydrophobicContact CD1-CB 4.43Å; F92-A96 HydrophobicContact CE1-CB 4.26Å; F92-A96 VanDerWaalsContact O-CB 3.3Å; F92-A96 WeakPolarHBondContact O-CB 3.22Å; F92-A96 PolarHBondContact O-N 3.31Å; F92-I126 HydrophobicContact CE2-CG2 4.11Å; F92-F173 HydrophobicContact CD1-CB 3.95Å; F92-F173 HydrophobicContact CE1-CB 3.77Å; F92-F173 WeakPolarHBondContact CE1-O 3.25Å; F92-F173 HydrophobicContact CG-CB 4.41Å; F92-F173 HydrophobicContact CZ-CB 4.08Å; F92-F173 WeakPolarHBondContact CZ-O 3.41Å; F92-G174 WeakPolarHBondContact CE1-O 3.49Å; F92-M175 HydrophobicContact CD2-CE 4.37Å; F92-M175 HydrophobicContact CE1-CE 3.98Å; F92-M175 HydrophobicContact CE2-CE 3.68Å; F92-M175 HydrophobicContact CZ-CB 4.49Å; F92-M175 HydrophobicContact CZ-CE 3.44Å; F92-M175 VanDerWaalsContact CZ-CE 3.44Å; F92-Y278 AromaticContact CD1-CD2 3.99Å; F92-Y278 HydrophobicContact CD1-CD2 3.99Å; F92-Y278 AromaticContact CD1-CE2 3.89Å; F92-Y278 HydrophobicContact CD1-CE2 3.89Å; F92-Y278 HydrophobicContact CE1-CD2 4.18Å; F92-Y278 HydrophobicContact CE1-CE2 4.43Å
93R96Very high93.6Very high119 Ų11962.1 Ų62.145%0.44935%0.347SS..Hα-helixtrans-58.1-50.4174.4179.9178.3178.2-178.8-0.6111.3E55 I89 S90 D91 L95 A96 V97 Y278E55-R93 IonicContact OE1-NH1 3.04Å; E55-R93 PolarHBondContact OE1-NH1 3.44Å; I89-R93 WeakPolarHBondContact O-CB 3.39Å; I89-R93 PolarHBondContact O-N 2.84Å; S90-R93 WeakPolarHBondContact O-CB 3.46Å; S90-R93 PolarHBondContact O-N 3.32Å; D91-R93 VanDerWaalsContact C-N 3.33Å; D91-R93 PolarHBondContact O-N 3.17Å; R93-L95 VanDerWaalsContact C-N 3.26Å; R93-L95 PolarHBondContact O-N 3.35Å; R93-A96 PolarHBondContact O-N 3.11Å; R93-V97 WeakPolarHBondContact O-CG2 3.32Å; R93-V97 PolarHBondContact O-N 3Å; R93-Y278 HydrophobicContact CB-CD1 4.42Å; R93-Y278 HydrophobicContact CB-CD2 4.27Å; R93-Y278 HydrophobicContact CB-CE1 3.95Å; R93-Y278 HydrophobicContact CB-CE2 3.79Å; R93-Y278 HydrophobicContact CG-CD1 3.86Å; R93-Y278 HydrophobicContact CG-CD2 4.49Å; R93-Y278 HydrophobicContact CG-CE1 3.61Å; R93-Y278 HydrophobicContact CG-CE2 4.28Å; R93-Y278 HydrophobicContact CG-CG 4.29Å
94K96.4Very high94.3Very high134 Ų13458.4 Ų58.458%0.58333%0.33SS*.Hα-helixtrans-57.5-41177.3-70.6171.5-170.2169.40111.5S90 D91 S98S90-K94 WeakPolarHBondContact O-CG 3.12Å; S90-K94 PolarHBondContact O-N 3.28Å; D91-K94 PolarHBondContact O-N 3.47Å; D91-K94 IonicContact OD1-NZ 3.68Å; K94-S98 PolarHBondContact O-N 3.35Å
95L96.5Very high94.9Very high46 Ų4661.8 Ų61.824%0.24136%0.356CS..Hα-helixtrans-65.8-47.5176.8-177.659000112M87 D91 F92 R93 V97 S98 H101 I126 M175M87-L95 HydrophobicContact CE-CD2 4.08Å; M87-L95 HydrophobicContact SD-CD2 4.36Å; D91-L95 WeakPolarHBondContact O-CB 3.48Å; D91-L95 PolarHBondContact O-N 2.91Å; F92-L95 WeakPolarHBondContact O-CB 3.44Å; F92-L95 PolarHBondContact O-N 3.36Å; R93-L95 VanDerWaalsContact C-N 3.26Å; R93-L95 PolarHBondContact O-N 3.35Å; L95-V97 VanDerWaalsContact C-N 3.27Å; L95-V97 PolarHBondContact O-N 2.91Å; L95-S98 VanDerWaalsContact O-CB 3.28Å; L95-S98 WeakPolarHBondContact O-CB 3.16Å; L95-S98 PolarHBondContact O-N 3.01Å; L95-S98 VanDerWaalsContact O-N 3.13Å; L95-S98 PolarHBondContact O-OG 2.88Å; L95-H101 WeakPolarHBondContact O-CB 3.36Å; L95-I126 HydrophobicContact CD2-CD1 3.56Å; L95-I126 HydrophobicContact CG-CD1 4.36Å; L95-M175 HydrophobicContact CD2-CE 4.29Å; L95-M175 HydrophobicContact CG-CE 4.18Å
96A97.4Very high95.3Very high3 Ų361 Ų613%0.02534%0.338CS..Hα-helixtrans-63.8-28.5-178.500000113.5F92 R93 H101 M175 Y278F92-A96 HydrophobicContact CD1-CB 4.43Å; F92-A96 HydrophobicContact CE1-CB 4.26Å; F92-A96 VanDerWaalsContact O-CB 3.3Å; F92-A96 WeakPolarHBondContact O-CB 3.22Å; F92-A96 PolarHBondContact O-N 3.31Å; R93-A96 PolarHBondContact O-N 3.11Å; A96-H101 CarbonylContact O-C 3.56Å; A96-M175 HydrophobicContact CB-CB 3.62Å; A96-M175 HydrophobicContact CB-CE 4.11Å; A96-Y278 HydrophobicContact CB-CD2 3.93Å; A96-Y278 HydrophobicContact CB-CG 4.25Å
97V96.5Very high95.5Very high90 Ų9067.9 Ų67.955%0.54536%0.361SS..THydrogen-bonded Turntrans-95.5-0.3176.7-54.70000113.5R93 L95R93-V97 WeakPolarHBondContact O-CG2 3.32Å; R93-V97 PolarHBondContact O-N 3Å; L95-V97 VanDerWaalsContact C-N 3.27Å; L95-V97 PolarHBondContact O-N 2.91Å
98S97.1Very high95.5Very high30 Ų3069.5 Ų69.521%0.2137%0.374CS..SBendtrans-65.3151.9176.671.70000111K94 L95 K100 H101 A102K94-S98 PolarHBondContact O-N 3.35Å; L95-S98 VanDerWaalsContact O-CB 3.28Å; L95-S98 WeakPolarHBondContact O-CB 3.16Å; L95-S98 PolarHBondContact O-N 3.01Å; L95-S98 VanDerWaalsContact O-N 3.13Å; L95-S98 PolarHBondContact O-OG 2.88Å; S98-K100 PolarHBondContact O-N 3.47Å; S98-H101 CarbonylContact O-C 3.58Å; S98-H101 PolarHBondContact O-N 3.08Å; S98-A102 WeakPolarHBondContact O-CB 3.22Å; S98-A102 PolarHBondContact O-N 2.62Å
99P95.1Very high95.5Very high135 Ų13571.2 Ų71.288%0.87738%0.383SS*.THydrogen-bonded Turntrans-53-28.1-178.1-28.835.3000114.9
100K93.6Very high95.5Very high165 Ų16576.6 Ų76.672%0.71741%0.412SS*.THydrogen-bonded Turntrans-72.9-30.8178.2-176.5179.3176.4-174.50113.6S98S98-K100 PolarHBondContact O-N 3.47Å
101H95.8Very high95.7Very high10 Ų1076.6 Ų76.65%0.04641%0.407CS..THydrogen-bonded Turntrans-120.1-4.6-171.6-63.9-75.8000113.5L95 A96 S98 G124 M175 W176L95-H101 WeakPolarHBondContact O-CB 3.36Å; A96-H101 CarbonylContact O-C 3.56Å; S98-H101 CarbonylContact O-C 3.58Å; S98-H101 PolarHBondContact O-N 3.08Å; H101-G124 PolarHBondContact CE1-O 3.46Å; H101-M175 HydrophobicContact CB-SD 3.85Å; H101-W176 VanDerWaalsContact O-CB 3.29Å; H101-W176 WeakPolarHBondContact O-CB 3.31Å
102A95.6Very high95.8Very high38 Ų3873.1 Ų73.131%0.31439%0.389SS..SBendtrans-63.5148.4179.600000111.5S98S98-A102 WeakPolarHBondContact O-CB 3.22Å; S98-A102 PolarHBondContact O-N 2.62Å
103T97Very high95.9Very high36 Ų3674.6 Ų74.622%0.22140%0.396CS..PPolyproline II helixtrans-60.8130.1172.4-51.20000110Y106 V276 G277T103-Y106 HydrophobicContact CG2-CD1 4.39Å; T103-Y106 HydrophobicContact CG2-CE1 3.95Å; T103-V276 WeakPolarHBondContact CB-O 3.4Å; T103-V276 HydrophobicContact CG2-CG1 3.91Å; T103-V276 WeakPolarHBondContact CG2-O 3.38Å; T103-V276 PolarHBondContact OG1-O 3.37Å; T103-G277 WeakPolarHBondContact OG1-CA 3.47Å
104P96Very high95.9Very high44 Ų4475.2 Ų75.229%0.28640%0.398SS..PPolyproline II helixtrans-67.5159.8173.829.3-35000110.5Y106 L115 W176P104-Y106 WeakPolarHBondContact O-CD1 3.49Å; P104-L115 HydrophobicContact CG-CD1 4.23Å; P104-W176 HydrophobicContact CG-CD2 4.42Å; P104-W176 HydrophobicContact CG-CH2 4.29Å; P104-W176 HydrophobicContact CG-CZ2 3.66Å
105S95.2Very high96Very high117 Ų11770.4 Ų70.482%0.81838%0.378SS*.PPolyproline II helixtrans-68.5139.6169.554.70000110.5
106Y96.5Very high96.1Very high86 Ų8668.3 Ų68.334%0.33737%0.367SS..  trans-148.7153.4175.763.7-88.8000109.4T103 P104 S108 L112 V276T103-Y106 HydrophobicContact CG2-CD1 4.39Å; T103-Y106 HydrophobicContact CG2-CE1 3.95Å; P104-Y106 WeakPolarHBondContact O-CD1 3.49Å; Y106-S108 WeakPolarHBondContact CD2-O 3.24Å; Y106-L112 HydrophobicContact CD1-CB 4.39Å; Y106-L112 HydrophobicContact CD1-CD1 3.89Å; Y106-L112 HydrophobicContact CD2-CB 3.75Å; Y106-L112 HydrophobicContact CE1-CD1 3.91Å; Y106-L112 HydrophobicContact CE1-CD2 4.48Å; Y106-L112 HydrophobicContact CE2-CB 4.09Å; Y106-L112 HydrophobicContact CE2-CD2 4.05Å; Y106-L112 HydrophobicContact CE2-CG 4.49Å; Y106-L112 HydrophobicContact CG-CB 3.92Å; Y106-L112 HydrophobicContact CG-CD1 4.27Å; Y106-V276 HydrophobicContact CE1-CG1 4.12Å
107K95.1Very high96.1Very high197 Ų19769.5 Ų69.586%0.85737%0.371SS*.SBendtrans-104.6-23.5-175.7-59175.2-177.2175.50113.2E111K107-E111 VanDerWaalsContact CB-OE2 3.25Å; K107-E111 WeakPolarHBondContact CB-OE2 3.45Å; K107-E111 WeakPolarHBondContact CG-OE2 3.28Å; K107-E111 PolarHBondContact N-OE2 2.51Å
108S95.8Very high96Very high52 Ų5270.9 Ų70.936%0.36437%0.371SS..SBendtrans-145.8165.2-178.769.90000111.9Y106 D110 E111 L112Y106-S108 WeakPolarHBondContact CD2-O 3.24Å; S108-D110 VanDerWaalsContact C-N 3.28Å; S108-D110 PolarHBondContact O-N 2.78Å; S108-E111 PolarHBondContact O-N 3.35Å; S108-E111 PolarHBondContact OG-N 2.88Å; S108-L112 PolarHBondContact O-N 3.48Å
109T92.9Very high96Very high67 Ų6771 Ų7141%0.41137%0.371SS..Hα-helixtrans-60.9-37.2174.6-58.40000112.2L112 E113 F202 I256T109-L112 WeakPolarHBondContact O-CB 3.18Å; T109-L112 PolarHBondContact O-N 3.18Å; T109-E113 PolarHBondContact O-N 2.92Å; T109-F202 HydrophobicContact CG2-CD2 4.37Å; T109-F202 HydrophobicContact CG2-CE2 3.54Å; T109-F202 HydrophobicContact CG2-CZ 4.28Å; T109-I256 HydrophobicContact CG2-CD1 3.9Å; T109-I256 HydrophobicContact CG2-CG1 3.77Å
110D94Very high96Very high119 Ų11964.7 Ų64.764%0.63633%0.33SS*.Hα-helixtrans-67.1-39.3176.9-57.1-23000111.9S108 E113 R114S108-D110 VanDerWaalsContact C-N 3.28Å; S108-D110 PolarHBondContact O-N 2.78Å; D110-E113 PolarHBondContact O-N 3.03Å; D110-R114 WeakPolarHBondContact O-CB 3.48Å; D110-R114 PolarHBondContact O-N 2.91Å
111E96.9Very high96Very high45 Ų4559.3 Ų59.321%0.2131%0.312CS..Hα-helixtrans-66.2-40.3175.4-178.9169.3-143.300111.2K107 S108 R114 L115K107-E111 VanDerWaalsContact CB-OE2 3.25Å; K107-E111 WeakPolarHBondContact CB-OE2 3.45Å; K107-E111 WeakPolarHBondContact CG-OE2 3.28Å; K107-E111 PolarHBondContact N-OE2 2.51Å; S108-E111 PolarHBondContact O-N 3.35Å; S108-E111 PolarHBondContact OG-N 2.88Å; E111-R114 PolarHBondContact O-N 3.03Å; E111-R114 IonicContact OE1-NH2 3.81Å; E111-L115 HydrophobicContact CG-CD1 3.99Å; E111-L115 HydrophobicContact CG-CG 4.39Å; E111-L115 WeakPolarHBondContact O-CB 3.29Å; E111-L115 VanDerWaalsContact O-CG 3.26Å; E111-L115 WeakPolarHBondContact O-CG 3.33Å; E111-L115 PolarHBondContact O-N 2.96Å
112L97Very high95.8Very high3 Ų365.2 Ų65.22%0.01634%0.343CS..Hα-helixtrans-60.7-46.8174.2172.265.7000112.2Y106 S108 T109 L115 Y116 W176 F274 V276Y106-L112 HydrophobicContact CD1-CB 4.39Å; Y106-L112 HydrophobicContact CD1-CD1 3.89Å; Y106-L112 HydrophobicContact CD2-CB 3.75Å; Y106-L112 HydrophobicContact CE1-CD1 3.91Å; Y106-L112 HydrophobicContact CE1-CD2 4.48Å; Y106-L112 HydrophobicContact CE2-CB 4.09Å; Y106-L112 HydrophobicContact CE2-CD2 4.05Å; Y106-L112 HydrophobicContact CE2-CG 4.49Å; Y106-L112 HydrophobicContact CG-CB 3.92Å; Y106-L112 HydrophobicContact CG-CD1 4.27Å; S108-L112 PolarHBondContact O-N 3.48Å; T109-L112 WeakPolarHBondContact O-CB 3.18Å; T109-L112 PolarHBondContact O-N 3.18Å; L112-L115 PolarHBondContact O-N 3.36Å; L112-Y116 PolarHBondContact O-N 3.27Å; L112-W176 HydrophobicContact CD1-CH2 3.85Å; L112-W176 HydrophobicContact CD1-CZ3 3.53Å; L112-F274 HydrophobicContact CD1-CE2 4.42Å; L112-F274 HydrophobicContact CG-CE2 4.32Å; L112-F274 HydrophobicContact CG-CZ 4.49Å; L112-V276 HydrophobicContact CD1-CG1 4Å; L112-V276 HydrophobicContact CD1-CG2 4.42Å; L112-V276 HydrophobicContact CD2-CG1 4.07Å; L112-V276 HydrophobicContact CD2-CG2 3.65Å
113E97.2Very high95.5Very high31 Ų3163.8 Ų63.815%0.14533%0.332CS..Hα-helixtrans-59.8-46.5176.1170172.5-167.600111.4T109 D110 Y116 W117 F202 Y204 P242T109-E113 PolarHBondContact O-N 2.92Å; D110-E113 PolarHBondContact O-N 3.03Å; E113-Y116 PolarHBondContact O-N 2.73Å; E113-W117 VanDerWaalsContact O-CD1 3.31Å; E113-W117 PolarHBondContact O-N 2.79Å; E113-W117 VanDerWaalsContact O-N 3.16Å; E113-F202 HydrophobicContact CB-CE2 4.02Å; E113-F202 HydrophobicContact CB-CZ 4.13Å; E113-F202 HydrophobicContact CG-CZ 4.46Å; E113-Y204 VanDerWaalsContact CG-OH 3.3Å; E113-Y204 WeakPolarHBondContact CG-OH 3.45Å; E113-Y204 WeakPolarHBondContact OE1-CE1 3.35Å; E113-Y204 PolarHBondContact OE1-OH 3.12Å; E113-P242 WeakPolarHBondContact OE1-CG 3.32Å
114R96.9Very high95.2Very high132 Ų13263.5 Ų63.550%0.49834%0.336SS..Hα-helixtrans-60.1-50.8177.4-174.3-175.368-153.6-5.1111.3D110 E111 Y116 W117 E118D110-R114 WeakPolarHBondContact O-CB 3.48Å; D110-R114 PolarHBondContact O-N 2.91Å; E111-R114 PolarHBondContact O-N 3.03Å; E111-R114 IonicContact OE1-NH2 3.81Å; R114-Y116 PolarHBondContact O-N 2.82Å; R114-W117 PolarHBondContact O-N 3Å; R114-E118 WeakPolarHBondContact CD-OE1 3.42Å; R114-E118 HydrophobicContact CG-CG 4.35Å; R114-E118 VanDerWaalsContact CG-OE1 3.3Å; R114-E118 WeakPolarHBondContact CG-OE1 3.43Å; R114-E118 IonicContact NE-OE1 2.9Å; R114-E118 WeakPolarHBondContact O-CB 3.3Å; R114-E118 WeakPolarHBondContact O-CG 3.42Å; R114-E118 PolarHBondContact O-N 2.84Å
115L97.6Very high95.2Very high32 Ų3261.6 Ų61.617%0.16832%0.324CS..Hα-helixtrans-56.9-39.8178.3-77.3168.6000111.7P104 E111 L112 T119 W176P104-L115 HydrophobicContact CG-CD1 4.23Å; E111-L115 HydrophobicContact CG-CD1 3.99Å; E111-L115 HydrophobicContact CG-CG 4.39Å; E111-L115 WeakPolarHBondContact O-CB 3.29Å; E111-L115 VanDerWaalsContact O-CG 3.26Å; E111-L115 WeakPolarHBondContact O-CG 3.33Å; E111-L115 PolarHBondContact O-N 2.96Å; L112-L115 PolarHBondContact O-N 3.36Å; L115-T119 WeakPolarHBondContact O-CB 3.46Å; L115-T119 WeakPolarHBondContact O-CG2 3.26Å; L115-T119 PolarHBondContact O-N 2.84Å; L115-T119 PolarHBondContact O-OG1 3.08Å; L115-W176 HydrophobicContact CB-CH2 4.42Å; L115-W176 HydrophobicContact CB-CZ2 4.41Å
116Y98.3Very high95.2Very high3 Ų356.6 Ų56.61%0.01229%0.288CS..Hα-helixtrans-60.5-54.5176.5165.6-100.9000111.6L112 E113 R114 E118 T119 L120 R177 T179 F274L112-Y116 PolarHBondContact O-N 3.27Å; E113-Y116 PolarHBondContact O-N 2.73Å; R114-Y116 PolarHBondContact O-N 2.82Å; Y116-E118 VanDerWaalsContact C-N 3.31Å; Y116-E118 PolarHBondContact O-N 3.32Å; Y116-T119 PolarHBondContact O-N 2.85Å; Y116-T119 PolarHBondContact O-OG1 2.75Å; Y116-L120 HydrophobicContact CE1-CD2 4.32Å; Y116-L120 HydrophobicContact CE2-CB 4.48Å; Y116-L120 HydrophobicContact CE2-CD1 3.95Å; Y116-L120 WeakPolarHBondContact O-CB 3.35Å; Y116-L120 PolarHBondContact O-N 3.27Å; Y116-R177 HydrophobicContact CD2-CG 4.42Å; Y116-T179 WeakPolarHBondContact OH-CG2 3.15Å; Y116-T179 PolarHBondContact OH-OG1 3.4Å; Y116-F274 AromaticContact CD1-CD1 3.39Å; Y116-F274 HydrophobicContact CD1-CD1 3.39Å; Y116-F274 AromaticContact CD1-CE1 3.44Å; Y116-F274 HydrophobicContact CD1-CE1 3.44Å; Y116-F274 VanDerWaalsContact CD1-CE1 3.44Å; Y116-F274 HydrophobicContact CD1-CG 4Å; Y116-F274 HydrophobicContact CD1-CZ 4.09Å; Y116-F274 HydrophobicContact CD2-CB 3.72Å; Y116-F274 AromaticContact CD2-CD1 3.72Å; Y116-F274 HydrophobicContact CD2-CD1 3.72Å; Y116-F274 AromaticContact CD2-CD2 3.61Å; Y116-F274 HydrophobicContact CD2-CD2 3.61Å; Y116-F274 HydrophobicContact CD2-CE1 4.21Å; Y116-F274 HydrophobicContact CD2-CE2 4.12Å; Y116-F274 AromaticContact CD2-CG 3.39Å; Y116-F274 HydrophobicContact CD2-CG 3.39Å; Y116-F274 HydrophobicContact CD2-CZ 4.39Å; Y116-F274 HydrophobicContact CE1-CB 4.4Å; Y116-F274 AromaticContact CE1-CD1 3.49Å; Y116-F274 HydrophobicContact CE1-CD1 3.49Å; Y116-F274 VanDerWaalsContact CE1-CD1 3.49Å; Y116-F274 AromaticContact CE1-CE1 3.98Å; Y116-F274 HydrophobicContact CE1-CE1 3.98Å; Y116-F274 HydrophobicContact CE1-CG 4.1Å; Y116-F274 HydrophobicContact CE2-CB 3.31Å; Y116-F274 AromaticContact CE2-CD1 3.81Å; Y116-F274 HydrophobicContact CE2-CD1 3.81Å; Y116-F274 HydrophobicContact CE2-CD2 4.16Å; Y116-F274 AromaticContact CE2-CG 3.5Å; Y116-F274 HydrophobicContact CE2-CG 3.5Å; Y116-F274 VanDerWaalsContact CE2-CG 3.5Å; Y116-F274 HydrophobicContact CG-CB 4.4Å; Y116-F274 AromaticContact CG-CD1 3.5Å; Y116-F274 HydrophobicContact CG-CD1 3.5Å; Y116-F274 VanDerWaalsContact CG-CD1 3.5Å; Y116-F274 AromaticContact CG-CD2 3.84Å; Y116-F274 HydrophobicContact CG-CD2 3.84Å; Y116-F274 AromaticContact CG-CE1 3.56Å; Y116-F274 HydrophobicContact CG-CE1 3.56Å; Y116-F274 AromaticContact CG-CE2 3.91Å; Y116-F274 HydrophobicContact CG-CE2 3.91Å; Y116-F274 AromaticContact CG-CG 3.64Å; Y116-F274 HydrophobicContact CG-CG 3.64Å; Y116-F274 AromaticContact CG-CZ 3.77Å; Y116-F274 HydrophobicContact CG-CZ 3.77Å; Y116-F274 AromaticContact CZ-CD1 3.69Å; Y116-F274 AromaticContact CZ-CG 3.85Å
117W97.5Very high95.3Very high28 Ų2853.1 Ų53.111%0.10627%0.274CS..Hα-helixtrans-66.7-31.8-177.2-73.4111.1000113.1Y76 E113 R114 L120 Y204 A239 M240 A241 P242Y76-W117 HydrophobicContact CD2-CE3 4.26Å; Y76-W117 HydrophobicContact CD2-CZ3 4.04Å; Y76-W117 HydrophobicContact CE2-CE3 4.07Å; Y76-W117 HydrophobicContact CE2-CZ3 4.3Å; E113-W117 VanDerWaalsContact O-CD1 3.31Å; E113-W117 PolarHBondContact O-N 2.79Å; E113-W117 VanDerWaalsContact O-N 3.16Å; R114-W117 PolarHBondContact O-N 3Å; W117-L120 HydrophobicContact CE3-CD2 3.84Å; W117-L120 HydrophobicContact CZ3-CD2 3.64Å; W117-Y204 HydrophobicContact CZ2-CE2 4.24Å; W117-Y204 AromaticContact NE1-CZ 3.74Å; W117-Y204 PolarHBondContact NE1-OH 3.24Å; W117-A239 HydrophobicContact CH2-CB 4.44Å; W117-A239 HydrophobicContact CZ3-CB 4.34Å; W117-M240 WeakPolarHBondContact CH2-O 3.44Å; W117-A241 HydrophobicContact CD2-CB 3.72Å; W117-A241 HydrophobicContact CE3-CB 3.63Å; W117-A241 HydrophobicContact CG-CB 4.34Å; W117-A241 HydrophobicContact CH2-CB 4.17Å; W117-A241 HydrophobicContact CZ2-CB 4.27Å; W117-A241 HydrophobicContact CZ3-CB 3.85Å; W117-P242 VanDerWaalsContact CZ2-CD 3.5Å; W117-P242 HydrophobicContact CZ2-CG 4.35Å
118E95.7Very high95.3Very high118 Ų11843.7 Ų43.755%0.55123%0.233SC*.Hα-helixtrans-67.5-35.1173.8-74.6173.8176.700112.6R114 Y116 P121R114-E118 WeakPolarHBondContact CD-OE1 3.42Å; R114-E118 HydrophobicContact CG-CG 4.35Å; R114-E118 VanDerWaalsContact CG-OE1 3.3Å; R114-E118 WeakPolarHBondContact CG-OE1 3.43Å; R114-E118 IonicContact NE-OE1 2.9Å; R114-E118 WeakPolarHBondContact O-CB 3.3Å; R114-E118 WeakPolarHBondContact O-CG 3.42Å; R114-E118 PolarHBondContact O-N 2.84Å; Y116-E118 VanDerWaalsContact C-N 3.31Å; Y116-E118 PolarHBondContact O-N 3.32Å; E118-P121 WeakPolarHBondContact O-CD 3.46Å
119T95.6Very high95.2Very high33 Ų3341.8 Ų41.820%0.20222%0.221CC..Hα-helixtrans-103.5-9.8-173.161.40000114.4L115 Y116 P121 L122 R177L115-T119 WeakPolarHBondContact O-CB 3.46Å; L115-T119 WeakPolarHBondContact O-CG2 3.26Å; L115-T119 PolarHBondContact O-N 2.84Å; L115-T119 PolarHBondContact O-OG1 3.08Å; Y116-T119 PolarHBondContact O-N 2.85Å; Y116-T119 PolarHBondContact O-OG1 2.75Å; T119-P121 VanDerWaalsContact C-N 3.35Å; T119-L122 HydrophobicContact CG2-CD1 4.33Å; T119-L122 WeakPolarHBondContact O-CB 3.5Å; T119-L122 WeakPolarHBondContact O-CG 3.48Å; T119-L122 PolarHBondContact O-N 3.39Å; T119-R177 PolarHBondContact O-NH1 3.11Å; T119-R177 WeakPolarHBondContact OG1-CD 3.36Å
120L95.9Very high95.1Very high3 Ų342.8 Ų42.82%0.01622%0.224CC..G310 helixtrans-52-44.1173.3-179.163.9000112.9V69 Y76 Y116 W117 L122 G123 A239V69-L120 HydrophobicContact CG1-CG 4.22Å; V69-L120 HydrophobicContact CG2-CD1 3.98Å; V69-L120 HydrophobicContact CG2-CG 4.31Å; V69-L120 WeakPolarHBondContact CG2-O 3.32Å; Y76-L120 HydrophobicContact CD2-CD2 3.8Å; Y76-L120 HydrophobicContact CE2-CD2 4.31Å; Y76-L120 HydrophobicContact CG-CD2 4.23Å; Y116-L120 HydrophobicContact CE1-CD2 4.32Å; Y116-L120 HydrophobicContact CE2-CB 4.48Å; Y116-L120 HydrophobicContact CE2-CD1 3.95Å; Y116-L120 WeakPolarHBondContact O-CB 3.35Å; Y116-L120 PolarHBondContact O-N 3.27Å; W117-L120 HydrophobicContact CE3-CD2 3.84Å; W117-L120 HydrophobicContact CZ3-CD2 3.64Å; L120-L122 PolarHBondContact O-N 2.81Å; L120-L122 VanDerWaalsContact O-N 3.09Å; L120-G123 PolarHBondContact O-N 3.28Å; L120-A239 HydrophobicContact CD2-CB 4.16Å
121P93.7Very high95Very high52 Ų5237.4 Ų37.434%0.33820%0.195SC..G310 helixtrans-61.4-22.5-178.9-2031.1000114.3Y76 E118 T119 G123Y76-P121 HydrophobicContact CD1-CG 4.47Å; Y76-P121 HydrophobicContact CE1-CB 4.13Å; Y76-P121 HydrophobicContact CE1-CG 3.55Å; E118-P121 WeakPolarHBondContact O-CD 3.46Å; T119-P121 VanDerWaalsContact C-N 3.35Å; P121-G123 PolarHBondContact O-N 2.65Å
122L91.3Very high94.7Very high134 Ų13437.8 Ų37.870%0.70220%0.202SC*.G310 helixtrans-63.4-21.8175.7-56.1174.6000111.6T119 L120T119-L122 HydrophobicContact CG2-CD1 4.33Å; T119-L122 WeakPolarHBondContact O-CB 3.5Å; T119-L122 WeakPolarHBondContact O-CG 3.48Å; T119-L122 PolarHBondContact O-N 3.39Å; L120-L122 PolarHBondContact O-N 2.81Å; L120-L122 VanDerWaalsContact O-N 3.09Å
123G90Very high94.5Very high8 Ų838.9 Ų38.98%0.08221%0.213CC..  trans56.1-162.617900000113.7L120 P121 A125 R177L120-G123 PolarHBondContact O-N 3.28Å; P121-G123 PolarHBondContact O-N 2.65Å; G123-A125 VanDerWaalsContact C-N 3.31Å; G123-A125 PolarHBondContact O-N 3.47Å; G123-R177 VanDerWaalsContact O-CZ 3.25Å; G123-R177 PolarHBondContact O-NH1 2.72Å; G123-R177 PolarHBondContact O-NH2 2.92Å
124G89.2Confident94.3Very high30 Ų3039 Ų3931%0.30922%0.218SC..  trans788.617100000115.3Q67 H101Q67-G124 PolarHBondContact O-N 3.36Å; H101-G124 PolarHBondContact CE1-O 3.46Å
125A96.2Very high94.2Very high3 Ų333 Ų333%0.02520%0.196CC..EExtended strand (participates in β ladder)trans-64.8139.6168.600000109.6T66 Q67 G123 R177T66-A125 WeakPolarHBondContact CA-O 3.46Å; Q67-A125 PolarHBondContact N-O 2.87Å; G123-A125 VanDerWaalsContact C-N 3.31Å; G123-A125 PolarHBondContact O-N 3.47Å; A125-R177 HydrophobicContact CB-CB 4.08Å
126I97Very high94Very high12 Ų1232.3 Ų32.36%0.06219%0.191CC..EExtended strand (participates in β ladder)trans-104.2130.8177.3-61.7159.7000107.5P64 I65 T66 V84 F92 L95 M175P64-I126 HydrophobicContact CB-CG2 3.8Å; I65-I126 CarbonylContact O-C 3.35Å; I65-I126 VanDerWaalsContact O-CA 3.3Å; I65-I126 WeakPolarHBondContact O-CA 3.25Å; T66-I126 HydrophobicContact CG2-CG1 4.5Å; V84-I126 HydrophobicContact CG2-CD1 3.75Å; V84-I126 HydrophobicContact CG2-CG1 4.19Å; F92-I126 HydrophobicContact CE2-CG2 4.11Å; L95-I126 HydrophobicContact CD2-CD1 3.56Å; L95-I126 HydrophobicContact CG-CD1 4.36Å; I126-M175 HydrophobicContact CB-CE 3.71Å; I126-M175 HydrophobicContact CB-SD 3.98Å; I126-M175 HydrophobicContact CG2-CE 4.37Å; I126-M175 PolarHBondContact N-SD 3.29Å; I126-M175 VanDerWaalsContact N-SD 3.42Å; I126-M175 WeakPolarHBondContact O-CE 3.46Å; I126-M175 WeakPolarHBondContact O-CG 3.28Å
127Y97.4Very high93.8Very high13 Ų1334.4 Ų34.45%0.05120%0.203CC..EExtended strand (participates in β ladder)trans-123.2121.2-177.9-167-158.3000109.3I65 A129 Y172 F173 A178 N275I65-Y127 HydrophobicContact CD1-CD1 4.28Å; I65-Y127 WeakPolarHBondContact CG1-O 3.38Å; I65-Y127 PolarHBondContact N-O 2.69Å; I65-Y127 PolarHBondContact O-N 3.06Å; Y127-A129 HydrophobicContact CD1-CB 3.73Å; Y127-A129 HydrophobicContact CE1-CB 3.91Å; Y127-A129 HydrophobicContact CG-CB 4.09Å; Y127-A129 PolarHBondContact O-N 3.1Å; Y127-Y172 HydrophobicContact CE1-CD1 4.27Å; Y127-Y172 AromaticContact CZ-CD1 3.85Å; Y127-Y172 WeakPolarHBondContact OH-CD1 3.5Å; Y127-F173 WeakPolarHBondContact CD2-O 3.34Å; Y127-A178 HydrophobicContact CD1-CB 4.5Å; Y127-A178 HydrophobicContact CD2-CB 3.77Å; Y127-A178 HydrophobicContact CE2-CB 4.41Å; Y127-A178 HydrophobicContact CG-CB 3.84Å; Y127-N275 WeakPolarHBondContact CE2-ND2 3.34Å
128G96.1Very high93.4Very high0 Ų038 Ų380%023%0.232CC..EExtended strand (participates in β ladder)trans-8261.317200000110.2Y172 F173G128-Y172 WeakPolarHBondContact O-CA 3.47Å; G128-F173 PolarHBondContact N-O 3.23Å; G128-F173 PolarHBondContact O-N 3.14Å
129A92.6Very high93.2Very high12 Ų1237.5 Ų37.510%0.09923%0.233CC..EExtended strand (participates in β ladder)trans-80.1163.2-179.300000111.9I65 Y127 T131 Y172I65-A129 HydrophobicContact CD1-CB 4.07Å; I65-A129 HydrophobicContact CG1-CB 4.38Å; Y127-A129 HydrophobicContact CD1-CB 3.73Å; Y127-A129 HydrophobicContact CE1-CB 3.91Å; Y127-A129 HydrophobicContact CG-CB 4.09Å; Y127-A129 PolarHBondContact O-N 3.1Å; A129-T131 PolarHBondContact O-N 2.74Å; A129-T131 VanDerWaalsContact O-N 3.08Å; A129-Y172 HydrophobicContact CB-CD1 3.85Å; A129-Y172 HydrophobicContact CB-CE1 4.01Å
130D91Very high93Very high88 Ų8836.7 Ų36.747%0.47123%0.228SC..EExtended strand (participates in β ladder)trans51.238.1169.1-53.6-28.6000113.6P132 Y170 Y172D130-P132 VanDerWaalsContact O-CD 3.29Å; D130-P132 WeakPolarHBondContact O-CD 3.41Å; D130-Y170 HydrophobicContact CB-CD2 3.77Å; D130-Y170 HydrophobicContact CB-CE2 3.62Å; D130-Y170 WeakPolarHBondContact OD1-CD2 3.21Å; D130-Y172 WeakPolarHBondContact OD1-CE1 3.45Å; D130-Y172 PolarHBondContact OD1-OH 3.2Å
131T92.6Very high92.6Very high5 Ų543.4 Ų43.43%0.03126%0.259CS..EExtended strand (participates in β ladder)trans-85.6113176.3-64.30000108.8I59 A129 G133 L171 F173I59-T131 HydrophobicContact CG2-CG2 4.17Å; A129-T131 PolarHBondContact O-N 2.74Å; A129-T131 VanDerWaalsContact O-N 3.08Å; T131-G133 PolarHBondContact O-N 3.4Å; T131-L171 PolarHBondContact N-O 2.76Å; T131-L171 VanDerWaalsContact N-O 3.1Å; T131-L171 PolarHBondContact O-N 3.23Å; T131-F173 HydrophobicContact CG2-CE2 4.43Å
132P90.9Very high92.4Very high54 Ų5442 Ų4235%0.35125%0.25SS..EExtended strand (participates in β ladder)trans-62129.8-178.9-2031.6000111.7D130 Y170D130-P132 VanDerWaalsContact O-CD 3.29Å; D130-P132 WeakPolarHBondContact O-CD 3.41Å; P132-Y170 HydrophobicContact CB-CD1 4.39Å; P132-Y170 HydrophobicContact CB-CE1 4.12Å; P132-Y170 HydrophobicContact CG-CD1 4.44Å; P132-Y170 HydrophobicContact CG-CE1 3.86Å
133G90.9Very high92.7Very high25 Ų2535.8 Ų35.826%0.25822%0.218SC..  trans151.5171.8177.500000113.4T131 P169T131-G133 PolarHBondContact O-N 3.4Å; G133-P169 PolarHBondContact N-O 2.69Å; G133-P169 CarbonylContact O-C 3.51Å; G133-P169 WeakPolarHBondContact O-CB 3.39Å; G133-P169 WeakPolarHBondContact O-CG 3.24Å
134S93.5Very high93Very high34 Ų3435.6 Ų35.624%0.23822%0.215CC..  trans-135.9143.6173.1-176.20000109.1F136 S146 E282S134-F136 PolarHBondContact OG-N 2.92Å; S134-F136 VanDerWaalsContact OG-N 3.16Å; S134-S146 WeakPolarHBondContact CB-OG 3.48Å; S134-S146 PolarHBondContact OG-OG 3.44Å; S134-E282 VanDerWaalsContact CB-OE1 3.24Å; S134-E282 WeakPolarHBondContact CB-OE1 3.32Å; S134-E282 VanDerWaalsContact OG-CD 3.3Å; S134-E282 PolarHBondContact OG-OE1 2.86Å; S134-E282 PolarHBondContact OG-OE2 2.66Å
135L94.7Very high93.3Very high7 Ų734.3 Ų34.34%0.03720%0.201CC..  trans-96.4-5.6170.2-68171.6000111.9C49 Y54 I59 L171 H196 F197 E282C49-L135 WeakPolarHBondContact CB-O 3.26Å; C49-L135 PolarHBondContact SG-O 3.24Å; Y54-L135 HydrophobicContact CD1-CD1 4.13Å; I59-L135 HydrophobicContact CD1-CD2 3.58Å; I59-L135 HydrophobicContact CD1-CG 4.49Å; L135-L171 HydrophobicContact CD1-CD2 4.02Å; L135-L171 HydrophobicContact CG-CD1 4.17Å; L135-L171 HydrophobicContact CG-CD2 3.89Å; L135-H196 HydrophobicContact CD1-CB 4.42Å; L135-F197 HydrophobicContact CD1-CE1 4.48Å; L135-E282 PolarHBondContact N-OE2 3.11Å
136F94.5Very high93.1Very high17 Ų1736.4 Ų36.48%0.07522%0.215CC..SBendtrans-68.3136.6178.5-78.5-112000111.5W46 P48 S134 V140 W143 N144 I145 Y194 H196 F262 E282W46-F136 AromaticContact CH2-CE1 3.62Å; W46-F136 HydrophobicContact CH2-CE1 3.62Å; W46-F136 HydrophobicContact CH2-CZ 4.14Å; W46-F136 AromaticContact CZ2-CE1 3.79Å; W46-F136 HydrophobicContact CZ2-CE1 3.79Å; P48-F136 HydrophobicContact CB-CD1 3.76Å; P48-F136 HydrophobicContact CB-CD2 4.44Å; P48-F136 HydrophobicContact CB-CE1 3.63Å; P48-F136 HydrophobicContact CB-CE2 4.3Å; P48-F136 HydrophobicContact CB-CG 4.18Å; P48-F136 HydrophobicContact CB-CZ 3.91Å; P48-F136 WeakPolarHBondContact O-CA 3.48Å; S134-F136 PolarHBondContact OG-N 2.92Å; S134-F136 VanDerWaalsContact OG-N 3.16Å; F136-V140 HydrophobicContact CD1-CG1 4.14Å; F136-W143 VanDerWaalsContact CE1-O 3.26Å; F136-W143 WeakPolarHBondContact CE1-O 3.36Å; F136-N144 HydrophobicContact CD1-CB 4.17Å; F136-I145 HydrophobicContact CE2-CB 4.22Å; F136-I145 HydrophobicContact CE2-CD1 3.89Å; F136-I145 HydrophobicContact CE2-CG1 3.86Å; F136-I145 HydrophobicContact CZ-CD1 4.12Å; F136-I145 HydrophobicContact CZ-CG1 3.9Å; F136-Y194 HydrophobicContact CE2-CD1 4.16Å; F136-Y194 HydrophobicContact CE2-CG 4.49Å; F136-Y194 HydrophobicContact CZ-CD1 4.07Å; F136-Y194 HydrophobicContact CZ-CG 4.13Å; F136-H196 AromaticContact CD2-CE1 3.71Å; F136-H196 AromaticContact CD2-NE2 3.94Å; F136-H196 AromaticContact CE2-CE1 3.57Å; F136-H196 AromaticContact CE2-NE2 3.7Å; F136-F262 HydrophobicContact CZ-CE1 4.29Å; F136-F262 HydrophobicContact CZ-CZ 4.22Å; F136-E282 WeakPolarHBondContact CD2-OE1 3.39Å; F136-E282 VanDerWaalsContact CD2-OE2 3.32Å; F136-E282 WeakPolarHBondContact CD2-OE2 3.04Å
137D92.9Very high92.9Very high47 Ų4739.7 Ų39.725%0.25123%0.227SC..  trans-70.1146.1174.7-74.5-20.4000110.9P48 C49 D50 N139 V140 N144P48-D137 PolarHBondContact O-N 3.49Å; C49-D137 WeakPolarHBondContact CA-OD2 3.41Å; C49-D137 HydrophobicContact CB-CB 4.39Å; D50-D137 PolarHBondContact N-OD2 3.3Å; D137-N139 WeakPolarHBondContact CB-OD1 3.47Å; D137-N139 PolarHBondContact O-N 3.49Å; D137-N139 VanDerWaalsContact O-N 3.12Å; D137-V140 HydrophobicContact CB-CG2 4.28Å; D137-V140 PolarHBondContact O-N 2.98Å; D137-N144 PolarHBondContact O-ND2 3.07Å
138S89.7Confident92.8Very high104 Ų10440 Ų4073%0.72723%0.229SC*.THydrogen-bonded Turntrans-63.6-19.2-175.5640000114.5R147S138-R147 PolarHBondContact O-NH1 2.88Å; S138-R147 VanDerWaalsContact O-NH1 3.16Å; S138-R147 PolarHBondContact O-NH2 2.98Å
139N91Very high92.5Very high107 Ų10745.7 Ų45.757%0.57226%0.26SS*.THydrogen-bonded Turntrans-88.2-6.1176.564.5-16.8000113.4D137 H141D137-N139 WeakPolarHBondContact CB-OD1 3.47Å; D137-N139 PolarHBondContact O-N 3.49Å; D137-N139 VanDerWaalsContact O-N 3.12Å; N139-H141 PolarHBondContact O-CD2 2.72Å; N139-H141 PolarHBondContact O-N 2.73Å; N139-H141 PolarHBondContact O-NE2 2.86Å
140V92.9Very high92.6Very high16 Ų1646.1 Ų46.110%0.09726%0.261CS..  trans-79.4107.7175.1179.10000109W46 P48 F136 D137 C142 N144 R147W46-V140 HydrophobicContact CZ2-CG1 3.94Å; P48-V140 WeakPolarHBondContact O-CG2 3.35Å; F136-V140 HydrophobicContact CD1-CG1 4.14Å; D137-V140 HydrophobicContact CB-CG2 4.28Å; D137-V140 PolarHBondContact O-N 2.98Å; V140-C142 WeakPolarHBondContact CG1-O 3.29Å; V140-N144 HydrophobicContact CG1-CB 4.38Å; V140-N144 VanDerWaalsContact O-CB 3.28Å; V140-N144 WeakPolarHBondContact O-CB 3.25Å; V140-N144 PolarHBondContact O-ND2 3.18Å; V140-R147 PolarHBondContact O-NH2 2.79Å
141H87.5Confident92.7Very high143 Ų14343.2 Ų43.266%0.66225%0.245SC*.  trans-91.3-29.9-171.2-64.6-64.7000114.6N139 R147N139-H141 PolarHBondContact O-CD2 2.72Å; N139-H141 PolarHBondContact O-N 2.73Å; N139-H141 PolarHBondContact O-NE2 2.86Å; H141-R147 PolarHBondContact ND1-NH2 3.33Å
142C88.6Confident92.8Very high24 Ų2443.2 Ų43.216%0.16225%0.245CC..SBendtrans-109149.6176.7-157.60000111.6F17 S18 F20 V140 N144F17-C142 PolarHBondContact O-SG 2.89Å; S18-C142 PolarHBondContact O-SG 2.95Å; F20-C142 PolarHBondContact N-SG 3.24Å; V140-C142 WeakPolarHBondContact CG1-O 3.29Å; C142-N144 PolarHBondContact O-N 3.34Å
143W96.9Very high92.8Very high3 Ų342.8 Ų42.81%0.01124%0.24CC..SBendtrans55.417-177-68.176.3000114.7F17 F20 Y23 V40 W46 F136 I145 I192 F262 I264F17-W143 AromaticContact CD1-CD1 3.74Å; F17-W143 HydrophobicContact CD1-CG 4.38Å; F17-W143 AromaticContact CD2-CD1 3.73Å; F17-W143 HydrophobicContact CD2-CD2 4.09Å; F17-W143 AromaticContact CD2-CE2 3.52Å; F17-W143 HydrophobicContact CD2-CG 4.27Å; F17-W143 AromaticContact CD2-CZ2 3.95Å; F17-W143 HydrophobicContact CD2-CZ2 3.95Å; F17-W143 AromaticContact CD2-NE1 3.29Å; F17-W143 VanDerWaalsContact CD2-NE1 3.29Å; F17-W143 HydrophobicContact CE1-CB 3.97Å; F17-W143 AromaticContact CE1-CD1 3.46Å; F17-W143 VanDerWaalsContact CE1-CD1 3.46Å; F17-W143 HydrophobicContact CE1-CD2 4.3Å; F17-W143 AromaticContact CE1-CG 3.67Å; F17-W143 HydrophobicContact CE1-CG 3.67Å; F17-W143 AromaticContact CE2-CD1 3.51Å; F17-W143 AromaticContact CE2-CD2 3.3Å; F17-W143 HydrophobicContact CE2-CD2 3.3Å; F17-W143 AromaticContact CE2-CE2 3.18Å; F17-W143 AromaticContact CE2-CE3 3.86Å; F17-W143 HydrophobicContact CE2-CE3 3.86Å; F17-W143 AromaticContact CE2-CG 3.59Å; F17-W143 HydrophobicContact CE2-CG 3.59Å; F17-W143 HydrophobicContact CE2-CH2 4.25Å; F17-W143 AromaticContact CE2-CZ2 3.71Å; F17-W143 HydrophobicContact CE2-CZ2 3.71Å; F17-W143 HydrophobicContact CE2-CZ3 4.3Å; F17-W143 AromaticContact CE2-NE1 3.32Å; F17-W143 VanDerWaalsContact CE2-NE1 3.32Å; F17-W143 AromaticContact CG-CD1 3.87Å; F17-W143 AromaticContact CG-NE1 3.72Å; F17-W143 HydrophobicContact CZ-CB 3.7Å; F17-W143 AromaticContact CZ-CD1 3.35Å; F17-W143 AromaticContact CZ-CD2 3.41Å; F17-W143 HydrophobicContact CZ-CD2 3.41Å; F17-W143 VanDerWaalsContact CZ-CD2 3.41Å; F17-W143 AromaticContact CZ-CE2 3.76Å; F17-W143 HydrophobicContact CZ-CE3 4.01Å; F17-W143 AromaticContact CZ-CG 3.22Å; F17-W143 HydrophobicContact CZ-CG 3.22Å; F17-W143 AromaticContact CZ-NE1 3.71Å; F17-W143 PolarHBondContact O-NE1 2.85Å; F17-W143 VanDerWaalsContact O-NE1 3.11Å; F20-W143 AromaticContact CD2-CD2 3.66Å; F20-W143 HydrophobicContact CD2-CD2 3.66Å; F20-W143 AromaticContact CD2-CE2 3.67Å; F20-W143 AromaticContact CD2-CE3 3.92Å; F20-W143 HydrophobicContact CD2-CE3 3.92Å; F20-W143 HydrophobicContact CD2-CG 4.17Å; F20-W143 HydrophobicContact CD2-CH2 4.11Å; F20-W143 AromaticContact CD2-CZ2 3.91Å; F20-W143 HydrophobicContact CD2-CZ2 3.91Å; F20-W143 HydrophobicContact CD2-CZ3 4.14Å; F20-W143 HydrophobicContact CE2-CD2 4.27Å; F20-W143 HydrophobicContact CE2-CE3 4.05Å; F20-W143 HydrophobicContact CE2-CH2 4.16Å; F20-W143 HydrophobicContact CE2-CZ2 4.42Å; F20-W143 AromaticContact CE2-CZ3 4Å; F20-W143 HydrophobicContact CE2-CZ3 4Å; Y23-W143 HydrophobicContact CD1-CH2 4.19Å; Y23-W143 AromaticContact CD1-CZ2 3.72Å; Y23-W143 HydrophobicContact CD1-CZ2 3.72Å; Y23-W143 HydrophobicContact CG-CZ2 4.32Å; V40-W143 HydrophobicContact CB-CH2 4.01Å; V40-W143 HydrophobicContact CB-CZ3 4.18Å; V40-W143 HydrophobicContact CG1-CH2 3.73Å; V40-W143 HydrophobicContact CG1-CZ2 4.26Å; V40-W143 HydrophobicContact CG1-CZ3 4.17Å; V40-W143 HydrophobicContact CG2-CH2 3.95Å; V40-W143 HydrophobicContact CG2-CZ3 4.39Å; W46-W143 HydrophobicContact CZ2-CB 4.27Å; F136-W143 VanDerWaalsContact CE1-O 3.26Å; F136-W143 WeakPolarHBondContact CE1-O 3.36Å; W143-I145 PolarHBondContact O-N 2.85Å; W143-I192 HydrophobicContact CE3-CD1 3.85Å; W143-I192 HydrophobicContact CZ3-CD1 4.1Å; W143-F262 HydrophobicContact CB-CE1 4.44Å; W143-F262 HydrophobicContact CB-CE2 4.44Å; W143-F262 HydrophobicContact CB-CZ 3.88Å; W143-F262 AromaticContact CE3-CD1 3.89Å; W143-F262 HydrophobicContact CE3-CD1 3.89Å; W143-F262 AromaticContact CE3-CD2 3.88Å; W143-F262 HydrophobicContact CE3-CD2 3.88Å; W143-F262 AromaticContact CE3-CE1 3.89Å; W143-F262 HydrophobicContact CE3-CE1 3.89Å; W143-F262 AromaticContact CE3-CE2 3.94Å; W143-F262 HydrophobicContact CE3-CE2 3.94Å; W143-F262 AromaticContact CE3-CG 3.86Å; W143-F262 HydrophobicContact CE3-CG 3.86Å; W143-F262 AromaticContact CE3-CZ 3.92Å; W143-F262 HydrophobicContact CE3-CZ 3.92Å; W143-F262 HydrophobicContact CZ3-CB 4.17Å; W143-F262 HydrophobicContact CZ3-CD1 4.24Å; W143-F262 HydrophobicContact CZ3-CD2 4.19Å; W143-F262 AromaticContact CZ3-CG 3.96Å; W143-F262 HydrophobicContact CZ3-CG 3.96Å; W143-I264 HydrophobicContact CZ3-CD1 4.27Å
144N96.4Very high92.7Very high4 Ų442.4 Ų42.42%0.02123%0.232CC..  trans-75.7110176.1-172.5-37.5000109.1F136 D137 V140 C142 S146 R147 L148F136-N144 HydrophobicContact CD1-CB 4.17Å; D137-N144 PolarHBondContact O-ND2 3.07Å; V140-N144 HydrophobicContact CG1-CB 4.38Å; V140-N144 VanDerWaalsContact O-CB 3.28Å; V140-N144 WeakPolarHBondContact O-CB 3.25Å; V140-N144 PolarHBondContact O-ND2 3.18Å; C142-N144 PolarHBondContact O-N 3.34Å; N144-S146 PolarHBondContact O-N 2.57Å; N144-S146 VanDerWaalsContact O-N 3.1Å; N144-S146 VanDerWaalsContact OD1-CB 3.29Å; N144-S146 WeakPolarHBondContact OD1-CB 3.31Å; N144-S146 PolarHBondContact OD1-N 3.1Å; N144-R147 HydrophobicContact CB-CG 3.94Å; N144-R147 CarbonylContact O-C 3.54Å; N144-R147 PolarHBondContact O-N 2.79Å; N144-L148 PolarHBondContact O-N 2.82Å
145I96.1Very high92.3Very high3 Ų340.8 Ų40.82%0.01522%0.22CC..G310 helixtrans-58.2-28.4-174.8-63.5-175.6000111.5F136 W143 R147 P169 I192 F262 E282 T284F136-I145 HydrophobicContact CE2-CB 4.22Å; F136-I145 HydrophobicContact CE2-CD1 3.89Å; F136-I145 HydrophobicContact CE2-CG1 3.86Å; F136-I145 HydrophobicContact CZ-CD1 4.12Å; F136-I145 HydrophobicContact CZ-CG1 3.9Å; W143-I145 PolarHBondContact O-N 2.85Å; I145-R147 PolarHBondContact O-N 2.82Å; I145-P169 HydrophobicContact CG2-CB 4.02Å; I145-I192 HydrophobicContact CD1-CG1 4.46Å; I145-I192 HydrophobicContact CD1-CG2 4.47Å; I145-I192 HydrophobicContact CG1-CD1 4.45Å; I145-I192 HydrophobicContact CG1-CG2 4.25Å; I145-I192 HydrophobicContact CG2-CG2 4.39Å; I145-F262 HydrophobicContact CD1-CE1 4.43Å; I145-E282 HydrophobicContact CB-CG 4.34Å; I145-E282 HydrophobicContact CD1-CB 4.13Å; I145-E282 HydrophobicContact CD1-CG 4.08Å; I145-E282 VanDerWaalsContact CD1-O 3.32Å; I145-E282 WeakPolarHBondContact CD1-O 2.97Å; I145-E282 HydrophobicContact CG2-CG 4.16Å; I145-T284 HydrophobicContact CG2-CG2 3.46Å; I145-T284 VanDerWaalsContact CG2-CG2 3.46Å; I145-T284 WeakPolarHBondContact O-CG2 3.44Å
146S92.4Very high91.6Very high47 Ų4743.9 Ų43.933%0.32923%0.233SC..G310 helixtrans-65.6-21.3174.9-64.80000114.2S134 N144S134-S146 WeakPolarHBondContact CB-OG 3.48Å; S134-S146 PolarHBondContact OG-OG 3.44Å; N144-S146 PolarHBondContact O-N 2.57Å; N144-S146 VanDerWaalsContact O-N 3.1Å; N144-S146 VanDerWaalsContact OD1-CB 3.29Å; N144-S146 WeakPolarHBondContact OD1-CB 3.31Å; N144-S146 PolarHBondContact OD1-N 3.1Å
147R92.6Very high90.7Very high80 Ų8047.6 Ų47.630%0.30226%0.258SS..G310 helixtrans-156.266.7-16954.7176.5-165-156.70.8112.4S138 V140 H141 N144 I145 N149S138-R147 PolarHBondContact O-NH1 2.88Å; S138-R147 VanDerWaalsContact O-NH1 3.16Å; S138-R147 PolarHBondContact O-NH2 2.98Å; V140-R147 PolarHBondContact O-NH2 2.79Å; H141-R147 PolarHBondContact ND1-NH2 3.33Å; N144-R147 HydrophobicContact CB-CG 3.94Å; N144-R147 CarbonylContact O-C 3.54Å; N144-R147 PolarHBondContact O-N 2.79Å; I145-R147 PolarHBondContact O-N 2.82Å; R147-N149 PolarHBondContact O-N 2.9Å
148L94.2Very high89.7Confident19 Ų1947.9 Ų47.910%0.09926%0.261CS..  trans-71.6-14.1178.1-63167.7000113.6F20 N144 T150 I192 T284 F286F20-L148 HydrophobicContact CD1-CB 4.16Å; F20-L148 HydrophobicContact CD1-CD2 4.16Å; F20-L148 HydrophobicContact CD2-CD2 4.3Å; F20-L148 HydrophobicContact CE1-CB 4.08Å; F20-L148 HydrophobicContact CE1-CD1 4.33Å; F20-L148 HydrophobicContact CE1-CD2 4.08Å; F20-L148 HydrophobicContact CE1-CG 4.38Å; F20-L148 HydrophobicContact CE2-CD2 4.22Å; F20-L148 HydrophobicContact CG-CD2 4.27Å; F20-L148 HydrophobicContact CZ-CD1 4.36Å; F20-L148 HydrophobicContact CZ-CD2 4.11Å; N144-L148 PolarHBondContact O-N 2.82Å; L148-T150 HydrophobicContact CB-CG2 3.73Å; L148-T150 PolarHBondContact O-N 2.97Å; L148-I192 HydrophobicContact CD1-CG2 3.63Å; L148-I192 HydrophobicContact CD2-CD1 4.3Å; L148-T284 HydrophobicContact CD1-CG2 3.72Å; L148-F286 HydrophobicContact CD1-CB 3.82Å; L148-F286 HydrophobicContact CD1-CD1 4.21Å; L148-F286 HydrophobicContact CD1-CG 4.25Å
149N91.3Very high88.6Confident120 Ų12044.9 Ų44.964%0.64224%0.237SC*.  trans55.846.7177.4-59.9-32.2000113.2R147 D153R147-N149 PolarHBondContact O-N 2.9Å; N149-D153 VanDerWaalsContact CA-OD2 3.23Å; N149-D153 WeakPolarHBondContact CA-OD2 3.39Å
150T94.3Very high87.2Confident21 Ų2150.7 Ų50.713%0.12925%0.251CS..  trans-105.1175.6179.996.20000111.6F20 L148 L152 D153 F286 A287F20-T150 HydrophobicContact CD1-CG2 4.06Å; F20-T150 HydrophobicContact CE1-CG2 3.79Å; L148-T150 HydrophobicContact CB-CG2 3.73Å; L148-T150 PolarHBondContact O-N 2.97Å; T150-L152 PolarHBondContact O-N 2.93Å; T150-L152 PolarHBondContact OG1-N 3.38Å; T150-D153 PolarHBondContact N-OD2 3.34Å; T150-D153 WeakPolarHBondContact O-CB 3.38Å; T150-D153 PolarHBondContact O-N 2.9Å; T150-F286 HydrophobicContact CG2-CB 3.9Å; T150-F286 HydrophobicContact CG2-CD2 4.24Å; T150-F286 HydrophobicContact CG2-CG 4.44Å; T150-A287 WeakPolarHBondContact CB-O 3.46Å; T150-A287 PolarHBondContact OG1-N 2.65Å; T150-A287 VanDerWaalsContact OG1-N 3.13Å; T150-A287 PolarHBondContact OG1-O 3.38Å
151I93.8Very high85.9Confident28 Ų2857 Ų5714%0.14428%0.277CS..G310 helixtrans-59.3-20.9-178.372.6165.2000113.1D153 L154 A287 N288 W291 I292 F315 F319I151-D153 PolarHBondContact O-N 2.96Å; I151-L154 WeakPolarHBondContact O-CB 3.46Å; I151-L154 PolarHBondContact O-N 2.95Å; I151-A287 HydrophobicContact CD1-CB 4.28Å; I151-A287 HydrophobicContact CG1-CB 3.7Å; I151-A287 WeakPolarHBondContact CG1-O 3.39Å; I151-A287 PolarHBondContact N-O 3.06Å; I151-N288 WeakPolarHBondContact CD1-O 3.4Å; I151-W291 HydrophobicContact CD1-CE3 4.47Å; I151-I292 HydrophobicContact CD1-CD1 3.9Å; I151-I292 HydrophobicContact CD1-CG1 3.88Å; I151-F315 HydrophobicContact CD1-CD1 4.17Å; I151-F315 HydrophobicContact CD1-CE1 4.41Å; I151-F315 HydrophobicContact CG1-CE1 4.29Å; I151-F315 WeakPolarHBondContact O-CE1 3.3Å; I151-F319 HydrophobicContact CB-CD2 4.42Å; I151-F319 HydrophobicContact CB-CE1 4.34Å; I151-F319 HydrophobicContact CB-CE2 3.69Å; I151-F319 HydrophobicContact CB-CZ 3.65Å; I151-F319 HydrophobicContact CD1-CD2 4.19Å; I151-F319 HydrophobicContact CD1-CE2 4.27Å; I151-F319 HydrophobicContact CG2-CD1 4.35Å; I151-F319 HydrophobicContact CG2-CE1 3.73Å; I151-F319 HydrophobicContact CG2-CE2 4Å; I151-F319 HydrophobicContact CG2-CZ 3.54Å
152L93.9Very high85.1Confident5 Ų558 Ų583%0.02628%0.28CS..G310 helixtrans-60.9-25.6177.5-170.360.8000112.5T150 L154 V155 T167 L189 N285 A287 I310 F315T150-L152 PolarHBondContact O-N 2.93Å; T150-L152 PolarHBondContact OG1-N 3.38Å; L152-L154 PolarHBondContact O-N 3Å; L152-V155 HydrophobicContact CD1-CG2 4.04Å; L152-V155 WeakPolarHBondContact O-CB 3.23Å; L152-V155 PolarHBondContact O-N 3.05Å; L152-T167 HydrophobicContact CD2-CG2 4.45Å; L152-T167 HydrophobicContact CG-CG2 4.33Å; L152-L189 HydrophobicContact CD1-CD1 4.14Å; L152-L189 HydrophobicContact CD1-CD2 3.82Å; L152-L189 HydrophobicContact CD2-CD1 4.12Å; L152-L189 HydrophobicContact CD2-CD2 4.17Å; L152-N285 HydrophobicContact CD2-CB 4.17Å; L152-N285 WeakPolarHBondContact CD2-O 3.45Å; L152-A287 HydrophobicContact CB-CB 3.9Å; L152-A287 HydrophobicContact CD1-CB 4.45Å; L152-I310 HydrophobicContact CD1-CD1 4.06Å; L152-F315 HydrophobicContact CD1-CZ 4.33Å
153D90.7Very high84.7Confident45 Ų4558.4 Ų58.424%0.24128%0.28CS..G310 helixtrans-60.8-16.2175.6-72.8-37.6000113N149 T150 I151 V155 K156N149-D153 VanDerWaalsContact CA-OD2 3.23Å; N149-D153 WeakPolarHBondContact CA-OD2 3.39Å; T150-D153 PolarHBondContact N-OD2 3.34Å; T150-D153 WeakPolarHBondContact O-CB 3.38Å; T150-D153 PolarHBondContact O-N 2.9Å; I151-D153 PolarHBondContact O-N 2.96Å; D153-V155 PolarHBondContact O-N 3.35Å; D153-K156 WeakPolarHBondContact O-CB 3.3Å; D153-K156 PolarHBondContact O-N 3.33Å; D153-K156 VanDerWaalsContact O-N 3.11Å; D153-K156 WeakPolarHBondContact OD1-CE 3.09Å; D153-K156 IonicContact OD1-NZ 3.82Å; D153-K156 PolarHBondContact OD1-NZ 2.93Å
154L88.2Confident83.9Confident16 Ų1664.1 Ų64.18%0.08431%0.307CS..Hα-helixtrans-54.6-37.4170.5-170.665.4000111.8I151 L152 K156 T157 T158 P314 F315 R318 F319I151-L154 WeakPolarHBondContact O-CB 3.46Å; I151-L154 PolarHBondContact O-N 2.95Å; L152-L154 PolarHBondContact O-N 3Å; L154-K156 VanDerWaalsContact C-N 3.27Å; L154-K156 PolarHBondContact O-N 3.16Å; L154-T157 PolarHBondContact O-N 2.67Å; L154-T157 PolarHBondContact O-OG1 3.04Å; L154-T158 HydrophobicContact CD1-CG2 3.93Å; L154-T158 HydrophobicContact CG-CG2 3.83Å; L154-T158 WeakPolarHBondContact O-CG2 3.25Å; L154-T158 PolarHBondContact O-N 2.94Å; L154-T158 PolarHBondContact O-OG1 2.81Å; L154-P314 HydrophobicContact CD2-CB 4.04Å; L154-F315 HydrophobicContact CB-CE1 4Å; L154-F315 HydrophobicContact CB-CZ 4.09Å; L154-F315 HydrophobicContact CD2-CD1 3.98Å; L154-F315 HydrophobicContact CD2-CD2 4.39Å; L154-F315 HydrophobicContact CD2-CE1 4.23Å; L154-F315 HydrophobicContact CD2-CG 4.09Å; L154-R318 HydrophobicContact CD2-CB 4.47Å; L154-F319 HydrophobicContact CD2-CE2 4Å
155V85.8Confident83.2Confident0 Ų064.4 Ų64.40%031%0.311CS..Hα-helixtrans-55.4-42.4177.1173.30000111.6L152 D153 T157 T158 D159 I163 T167 I310 F315L152-V155 HydrophobicContact CD1-CG2 4.04Å; L152-V155 WeakPolarHBondContact O-CB 3.23Å; L152-V155 PolarHBondContact O-N 3.05Å; D153-V155 PolarHBondContact O-N 3.35Å; V155-T157 PolarHBondContact O-N 3.46Å; V155-T158 PolarHBondContact O-N 3.34Å; V155-D159 HydrophobicContact CG1-CB 4.31Å; V155-D159 PolarHBondContact O-N 3.31Å; V155-I163 HydrophobicContact CG1-CD1 3.94Å; V155-I163 HydrophobicContact CG1-CG1 4.39Å; V155-T167 HydrophobicContact CB-CG2 4.35Å; V155-T167 HydrophobicContact CG1-CG2 4.24Å; V155-I310 HydrophobicContact CG2-CD1 4.37Å; V155-I310 HydrophobicContact CG2-CG1 4.48Å; V155-I310 HydrophobicContact CG2-CG2 3.73Å; V155-F315 HydrophobicContact CG2-CE2 3.79Å; V155-F315 HydrophobicContact CG2-CZ 3.68Å
156K80.8Confident82.7Confident72 Ų7264.4 Ų64.431%0.31331%0.311SS..Hα-helixtrans-61.6-30.4-179.3-62.2172.6-178.2163.60111.3D153 L154 T167D153-K156 WeakPolarHBondContact O-CB 3.3Å; D153-K156 PolarHBondContact O-N 3.33Å; D153-K156 VanDerWaalsContact O-N 3.11Å; D153-K156 WeakPolarHBondContact OD1-CE 3.09Å; D153-K156 IonicContact OD1-NZ 3.82Å; D153-K156 PolarHBondContact OD1-NZ 2.93Å; L154-K156 VanDerWaalsContact C-N 3.27Å; L154-K156 PolarHBondContact O-N 3.16Å; K156-T167 WeakPolarHBondContact CE-O 3.19Å; K156-T167 PolarHBondContact NZ-O 3.44Å
157T75.8Confident82.4Confident96 Ų9662.7 Ų62.759%0.58930%0.298SS*.Hα-helixtrans-90.1-35.8-179.464.80000113.6L154 V155L154-T157 PolarHBondContact O-N 2.67Å; L154-T157 PolarHBondContact O-OG1 3.04Å; V155-T157 PolarHBondContact O-N 3.46Å
158T71Confident82.3Confident53 Ų5360.2 Ų60.233%0.32529%0.292SS..Hα-helixtrans-85.6-49.2-17556.50000112L154 V155 R160 P314L154-T158 HydrophobicContact CD1-CG2 3.93Å; L154-T158 HydrophobicContact CG-CG2 3.83Å; L154-T158 WeakPolarHBondContact O-CG2 3.25Å; L154-T158 PolarHBondContact O-N 2.94Å; L154-T158 PolarHBondContact O-OG1 2.81Å; V155-T158 PolarHBondContact O-N 3.34Å; T158-R160 VanDerWaalsContact C-N 3.3Å; T158-R160 PolarHBondContact O-N 3.35Å; T158-P314 HydrophobicContact CG2-CB 3.7Å; T158-P314 HydrophobicContact CG2-CG 4.03Å
159D65.5Low82.3Confident41 Ų4160 Ų6022%0.21929%0.292CS..THydrogen-bonded Turntrans-88.4-9.9-171.3-612.7000111V155 K161V155-D159 HydrophobicContact CG1-CB 4.31Å; V155-D159 PolarHBondContact O-N 3.31Å; D159-K161 WeakPolarHBondContact O-CG 3.41Å; D159-K161 PolarHBondContact O-N 3.42Å
160R62Low82.5Confident228 Ų22855.9 Ų55.986%0.8627%0.268SS*.  trans49.621.9-172.6-61.2-175.7177.5-179.2-0.1113.3T158T158-R160 VanDerWaalsContact C-N 3.3Å; T158-R160 PolarHBondContact O-N 3.35Å
161K65.8Low82.5Confident150 Ų15054.9 Ų54.965%0.65226%0.262SS*.  trans-118.1131.1-179.9-74.3178.4-178-179.70109.2D159D159-K161 WeakPolarHBondContact O-CG 3.41Å; D159-K161 PolarHBondContact O-N 3.42Å
162K71.7Confident82.7Confident163 Ų16355.6 Ų55.671%0.70926%0.263SS*.  trans-80.3118.3159.2-70.8-177-179.8-179.60106.6T168K162-T168 HydrophobicContact CB-CG2 4.16Å; K162-T168 HydrophobicContact CD-CG2 4.22Å; K162-T168 HydrophobicContact CG-CG2 4.45Å
163I80.4Confident82.9Confident32 Ų3255.3 Ų55.316%0.16426%0.261CS..  trans-88.3110171.6-52.8176.2000106V155 V166 T167 V308 I310V155-I163 HydrophobicContact CG1-CD1 3.94Å; V155-I163 HydrophobicContact CG1-CG1 4.39Å; I163-V166 HydrophobicContact CB-CB 4.04Å; I163-V166 HydrophobicContact CB-CG2 4.48Å; I163-V166 HydrophobicContact CG2-CB 3.73Å; I163-V166 HydrophobicContact CG2-CG2 3.62Å; I163-V166 PolarHBondContact O-N 3.02Å; I163-T167 HydrophobicContact CB-CG2 4.46Å; I163-T167 PolarHBondContact N-OG1 3.34Å; I163-T167 PolarHBondContact O-N 3.33Å; I163-T167 PolarHBondContact O-OG1 2.85Å; I163-V308 HydrophobicContact CD1-CG1 4.38Å; I163-V308 HydrophobicContact CG2-CG1 4.13Å; I163-V308 HydrophobicContact CG2-CG2 4.07Å; I163-I310 HydrophobicContact CD1-CG1 4.05Å
164E80.1Confident83.2Confident124 Ų12453.2 Ų53.258%0.57925%0.25SC*.THydrogen-bonded Turntrans-61.1141.6-178.4-61.7-166.2150.400110.8V166 T168 Y170E164-V166 PolarHBondContact O-N 3.42Å; E164-T168 WeakPolarHBondContact CA-OG1 3.23Å; E164-Y170 HydrophobicContact CB-CE1 4.01Å; E164-Y170 WeakPolarHBondContact CB-OH 3.35Å
165G80.4Confident83.7Confident10 Ų1052.4 Ų52.410%0.10325%0.246CC..THydrogen-bonded Turntrans74.8-32.2-17400000115.4T168 T284G165-T168 CarbonylContact C-O 3.51Å; G165-T168 VanDerWaalsContact C-O 3.25Å; G165-T168 VanDerWaalsContact CA-O 3.28Å; G165-T168 WeakPolarHBondContact CA-O 3.45Å; G165-T168 PolarHBondContact N-O 3.4Å; G165-T168 PolarHBondContact N-OG1 2.87Å; G165-T284 PolarHBondContact O-OG1 2.85Å
166V87.2Confident84.3Confident3 Ų353.1 Ų53.12%0.01825%0.248CC..THydrogen-bonded Turntrans-89.2-52.3-176.3-178.40000111.8I163 E164 D186 L189 T284 N285 V308 I310I163-V166 HydrophobicContact CB-CB 4.04Å; I163-V166 HydrophobicContact CB-CG2 4.48Å; I163-V166 HydrophobicContact CG2-CB 3.73Å; I163-V166 HydrophobicContact CG2-CG2 3.62Å; I163-V166 PolarHBondContact O-N 3.02Å; E164-V166 PolarHBondContact O-N 3.42Å; V166-D186 HydrophobicContact CG2-CB 4.4Å; V166-L189 HydrophobicContact CG1-CD1 3.73Å; V166-T284 PolarHBondContact O-OG1 2.89Å; V166-N285 WeakPolarHBondContact CA-OD1 3.48Å; V166-N285 HydrophobicContact CG1-CB 4.14Å; V166-N285 WeakPolarHBondContact O-CB 3.44Å; V166-N285 PolarHBondContact O-N 3.36Å; V166-V308 HydrophobicContact CG2-CG1 4.06Å; V166-V308 HydrophobicContact CG2-CG2 3.84Å; V166-I310 HydrophobicContact CG1-CD1 4.45Å
167T86.1Confident85.1Confident10 Ų1050.9 Ų50.96%0.06124%0.238CC..THydrogen-bonded Turntrans-106.10.4-179.361.20000112.7L152 V155 K156 I163L152-T167 HydrophobicContact CD2-CG2 4.45Å; L152-T167 HydrophobicContact CG-CG2 4.33Å; V155-T167 HydrophobicContact CB-CG2 4.35Å; V155-T167 HydrophobicContact CG1-CG2 4.24Å; K156-T167 WeakPolarHBondContact CE-O 3.19Å; K156-T167 PolarHBondContact NZ-O 3.44Å; I163-T167 HydrophobicContact CB-CG2 4.46Å; I163-T167 PolarHBondContact N-OG1 3.34Å; I163-T167 PolarHBondContact O-N 3.33Å; I163-T167 PolarHBondContact O-OG1 2.85Å
168T89.8Confident86.2Confident28 Ų2846.3 Ų46.317%0.17221%0.21CC..SBendtrans-133.5148.5177.967.30000109.4K162 E164 G165 T284K162-T168 HydrophobicContact CB-CG2 4.16Å; K162-T168 HydrophobicContact CD-CG2 4.22Å; K162-T168 HydrophobicContact CG-CG2 4.45Å; E164-T168 WeakPolarHBondContact CA-OG1 3.23Å; G165-T168 CarbonylContact C-O 3.51Å; G165-T168 VanDerWaalsContact C-O 3.25Å; G165-T168 VanDerWaalsContact CA-O 3.28Å; G165-T168 WeakPolarHBondContact CA-O 3.45Å; G165-T168 PolarHBondContact N-O 3.4Å; G165-T168 PolarHBondContact N-OG1 2.87Å; T168-T284 PolarHBondContact O-OG1 2.95Å
169P93.4Very high87.5Confident16 Ų1644 Ų4410%0.10420%0.196CC..  trans-71143.6-178.129.1-35.4000112.6G133 I145 E282 S283G133-P169 PolarHBondContact N-O 2.69Å; G133-P169 CarbonylContact O-C 3.51Å; G133-P169 WeakPolarHBondContact O-CB 3.39Å; G133-P169 WeakPolarHBondContact O-CG 3.24Å; I145-P169 HydrophobicContact CG2-CB 4.02Å; P169-E282 HydrophobicContact CB-CG 4.14Å; P169-S283 WeakPolarHBondContact CA-O 3.26Å
170Y95.3Very high89Confident33 Ų3343.3 Ų43.313%0.12919%0.191CC..EExtended strand (participates in β ladder)trans-116.8141167.6-83.2-8.5000111.3D130 P132 E164 E282 S283D130-Y170 HydrophobicContact CB-CD2 3.77Å; D130-Y170 HydrophobicContact CB-CE2 3.62Å; D130-Y170 WeakPolarHBondContact OD1-CD2 3.21Å; P132-Y170 HydrophobicContact CB-CD1 4.39Å; P132-Y170 HydrophobicContact CB-CE1 4.12Å; P132-Y170 HydrophobicContact CG-CD1 4.44Å; P132-Y170 HydrophobicContact CG-CE1 3.86Å; E164-Y170 HydrophobicContact CB-CE1 4.01Å; E164-Y170 WeakPolarHBondContact CB-OH 3.35Å; Y170-E282 CarbonylContact O-C 3.54Å; Y170-E282 WeakPolarHBondContact O-CA 3.46Å; Y170-S283 PolarHBondContact N-O 3.13Å; Y170-S283 PolarHBondContact O-N 2.94Å
171L96Very high90.7Very high0 Ų032.6 Ų32.60%015%0.151CC..EExtended strand (participates in β ladder)trans-96.7140.3171.2-61.6172.5000110.1I59 T131 L135 F173 A281 E282I59-L171 HydrophobicContact CD1-CD1 3.85Å; I59-L171 HydrophobicContact CG2-CD1 4.06Å; T131-L171 PolarHBondContact N-O 2.76Å; T131-L171 VanDerWaalsContact N-O 3.1Å; T131-L171 PolarHBondContact O-N 3.23Å; L135-L171 HydrophobicContact CD1-CD2 4.02Å; L135-L171 HydrophobicContact CG-CD1 4.17Å; L135-L171 HydrophobicContact CG-CD2 3.89Å; L171-F173 HydrophobicContact CB-CE2 3.92Å; L171-F173 HydrophobicContact CB-CZ 4.4Å; L171-F173 HydrophobicContact CD1-CZ 4.43Å; L171-A281 CarbonylContact C-O 3.47Å; L171-A281 WeakPolarHBondContact CA-O 3.36Å; L171-E282 HydrophobicContact CD2-CB 3.79Å; L171-E282 HydrophobicContact CD2-CG 3.87Å
172Y97.7Very high92.3Very high42 Ų4225.5 Ų25.517%0.16512%0.121CC..EExtended strand (participates in β ladder)trans-127.2107.9-178.6-65.4-88.5000109.6Y127 G128 A129 D130 C280 A281Y127-Y172 HydrophobicContact CE1-CD1 4.27Å; Y127-Y172 AromaticContact CZ-CD1 3.85Å; Y127-Y172 WeakPolarHBondContact OH-CD1 3.5Å; G128-Y172 WeakPolarHBondContact O-CA 3.47Å; A129-Y172 HydrophobicContact CB-CD1 3.85Å; A129-Y172 HydrophobicContact CB-CE1 4.01Å; D130-Y172 WeakPolarHBondContact OD1-CE1 3.45Å; D130-Y172 PolarHBondContact OD1-OH 3.2Å; Y172-C280 CarbonylContact O-C 3.6Å; Y172-C280 WeakPolarHBondContact O-CA 3.46Å; Y172-A281 PolarHBondContact N-O 3.12Å; Y172-A281 PolarHBondContact O-N 3.02Å
173F97.7Very high93.5Very high0 Ų018.4 Ų18.40%09%0.09CC..EExtended strand (participates in β ladder)trans-94.3105.7175.4-61.8-86.7000109.8I59 I61 I89 F92 Y127 G128 T131 L171 N279 C280I59-F173 HydrophobicContact CG2-CE2 4.41Å; I59-F173 HydrophobicContact CG2-CZ 4.3Å; I61-F173 HydrophobicContact CD1-CB 3.87Å; I61-F173 HydrophobicContact CD1-CD1 4.49Å; I61-F173 HydrophobicContact CD1-CD2 3.68Å; I61-F173 HydrophobicContact CD1-CE2 4.37Å; I61-F173 HydrophobicContact CD1-CG 3.75Å; I61-F173 HydrophobicContact CG1-CD2 3.7Å; I61-F173 HydrophobicContact CG1-CE2 4.02Å; I61-F173 HydrophobicContact CG1-CG 4.28Å; I89-F173 HydrophobicContact CB-CE1 4.43Å; I89-F173 HydrophobicContact CD1-CE1 3.82Å; I89-F173 HydrophobicContact CD1-CZ 3.65Å; I89-F173 HydrophobicContact CG1-CE1 3.76Å; I89-F173 HydrophobicContact CG1-CZ 3.73Å; I89-F173 HydrophobicContact CG2-CD1 4.37Å; I89-F173 HydrophobicContact CG2-CE1 3.91Å; F92-F173 HydrophobicContact CD1-CB 3.95Å; F92-F173 HydrophobicContact CE1-CB 3.77Å; F92-F173 WeakPolarHBondContact CE1-O 3.25Å; F92-F173 HydrophobicContact CG-CB 4.41Å; F92-F173 HydrophobicContact CZ-CB 4.08Å; F92-F173 WeakPolarHBondContact CZ-O 3.41Å; Y127-F173 WeakPolarHBondContact CD2-O 3.34Å; G128-F173 PolarHBondContact N-O 3.23Å; G128-F173 PolarHBondContact O-N 3.14Å; T131-F173 HydrophobicContact CG2-CE2 4.43Å; L171-F173 HydrophobicContact CB-CE2 3.92Å; L171-F173 HydrophobicContact CB-CZ 4.4Å; L171-F173 HydrophobicContact CD1-CZ 4.43Å; F173-N279 CarbonylContact C-O 3.57Å; F173-N279 WeakPolarHBondContact CA-O 3.47Å; F173-C280 HydrophobicContact CD1-CB 3.98Å; F173-C280 HydrophobicContact CE1-CB 3.97Å; F173-C280 WeakPolarHBondContact CE1-SG 3.01Å
174G98Very high94.4Very high0 Ų017 Ų170%08%0.083CC..EExtended strand (participates in β ladder)trans-92.6156.9-177.200000113.4F92 G277 Y278 N279F92-G174 WeakPolarHBondContact CE1-O 3.49Å; G174-G277 CarbonylContact C-O 3.19Å; G174-Y278 VanDerWaalsContact O-CA 3.23Å; G174-Y278 WeakPolarHBondContact O-CA 3.44Å; G174-N279 WeakPolarHBondContact CA-OD1 3.43Å; G174-N279 PolarHBondContact N-O 3.35Å; G174-N279 PolarHBondContact N-OD1 3.47Å; G174-N279 VanDerWaalsContact N-OD1 3.13Å; G174-N279 PolarHBondContact O-N 3.13Å; G174-N279 VanDerWaalsContact O-N 3.17Å
175M98.1Very high95.1Very high0 Ų012 Ų120%06%0.06CC..  trans-136.6176163.869.9-179.657.100109.2F92 L95 A96 H101 I126 R177 A178 N275 G277F92-M175 HydrophobicContact CD2-CE 4.37Å; F92-M175 HydrophobicContact CE1-CE 3.98Å; F92-M175 HydrophobicContact CE2-CE 3.68Å; F92-M175 HydrophobicContact CZ-CB 4.49Å; F92-M175 HydrophobicContact CZ-CE 3.44Å; F92-M175 VanDerWaalsContact CZ-CE 3.44Å; L95-M175 HydrophobicContact CD2-CE 4.29Å; L95-M175 HydrophobicContact CG-CE 4.18Å; A96-M175 HydrophobicContact CB-CB 3.62Å; A96-M175 HydrophobicContact CB-CE 4.11Å; H101-M175 HydrophobicContact CB-SD 3.85Å; I126-M175 HydrophobicContact CB-CE 3.71Å; I126-M175 HydrophobicContact CB-SD 3.98Å; I126-M175 HydrophobicContact CG2-CE 4.37Å; I126-M175 PolarHBondContact N-SD 3.29Å; I126-M175 VanDerWaalsContact N-SD 3.42Å; I126-M175 WeakPolarHBondContact O-CE 3.46Å; I126-M175 WeakPolarHBondContact O-CG 3.28Å; M175-R177 PolarHBondContact O-N 2.85Å; M175-A178 HydrophobicContact CG-CB 4.39Å; M175-A178 VanDerWaalsContact O-CB 3.23Å; M175-A178 WeakPolarHBondContact O-CB 3.49Å; M175-A178 PolarHBondContact O-N 2.93Å; M175-N275 WeakPolarHBondContact O-CB 3.27Å; M175-G277 WeakPolarHBondContact CA-O 3.29Å
176W98.3Very high95.8Very high14 Ų1413 Ų135%0.0536%0.062CC..THydrogen-bonded Turntrans-52.8133.4178.3173.1-127.3000111.6H101 P104 L112 L115 A178 F274 V276H101-W176 VanDerWaalsContact O-CB 3.29Å; H101-W176 WeakPolarHBondContact O-CB 3.31Å; P104-W176 HydrophobicContact CG-CD2 4.42Å; P104-W176 HydrophobicContact CG-CH2 4.29Å; P104-W176 HydrophobicContact CG-CZ2 3.66Å; L112-W176 HydrophobicContact CD1-CH2 3.85Å; L112-W176 HydrophobicContact CD1-CZ3 3.53Å; L115-W176 HydrophobicContact CB-CH2 4.42Å; L115-W176 HydrophobicContact CB-CZ2 4.41Å; W176-A178 PolarHBondContact O-N 3.06Å; W176-F274 HydrophobicContact CZ3-CD2 4.13Å; W176-F274 AromaticContact CZ3-CE2 3.9Å; W176-F274 HydrophobicContact CZ3-CE2 3.9Å; W176-V276 VanDerWaalsContact CE3-O 3.31Å
177R97.2Very high96.1Very high26 Ų2613.1 Ų13.110%0.0986%0.063CC..THydrogen-bonded Turntrans66.8-0.1-176.1-53.1-179.8-64.3132.63.8116.2Y116 T119 G123 A125 M175 T179 N275Y116-R177 HydrophobicContact CD2-CG 4.42Å; T119-R177 PolarHBondContact O-NH1 3.11Å; T119-R177 WeakPolarHBondContact OG1-CD 3.36Å; G123-R177 VanDerWaalsContact O-CZ 3.25Å; G123-R177 PolarHBondContact O-NH1 2.72Å; G123-R177 PolarHBondContact O-NH2 2.92Å; A125-R177 HydrophobicContact CB-CB 4.08Å; M175-R177 PolarHBondContact O-N 2.85Å; R177-T179 PolarHBondContact O-N 3.16Å; R177-T179 VanDerWaalsContact O-N 3.1Å; R177-T179 PolarHBondContact O-OG1 3.17Å; R177-N275 PolarHBondContact N-O 2.94Å
178A97.9Very high96.6Very high0 Ų012.9 Ų12.90%06%0.061CC..  trans-62.7117.7170.200000109Y127 M175 W176 F274 N275Y127-A178 HydrophobicContact CD1-CB 4.5Å; Y127-A178 HydrophobicContact CD2-CB 3.77Å; Y127-A178 HydrophobicContact CE2-CB 4.41Å; Y127-A178 HydrophobicContact CG-CB 3.84Å; M175-A178 HydrophobicContact CG-CB 4.39Å; M175-A178 VanDerWaalsContact O-CB 3.23Å; M175-A178 WeakPolarHBondContact O-CB 3.49Å; M175-A178 PolarHBondContact O-N 2.93Å; W176-A178 PolarHBondContact O-N 3.06Å; A178-F274 CarbonylContact O-C 3.54Å; A178-F274 WeakPolarHBondContact O-CA 3.32Å; A178-N275 HydrophobicContact CB-CB 4.31Å; A178-N275 PolarHBondContact O-N 3.38Å; A178-N275 PolarHBondContact O-ND2 2.97Å
179T98.4Very high96.9Very high4 Ų411.6 Ų11.63%0.0255%0.053CC..EExtended strand (participates in β ladder)trans-115.8141.8-162.5-60.90000111.1Q67 L78 Y116 R177 G273Q67-T179 PolarHBondContact NE2-O 2.7Å; L78-T179 HydrophobicContact CD1-CG2 3.73Å; L78-T179 HydrophobicContact CD2-CG2 4.43Å; Y116-T179 WeakPolarHBondContact OH-CG2 3.15Å; Y116-T179 PolarHBondContact OH-OG1 3.4Å; R177-T179 PolarHBondContact O-N 3.16Å; R177-T179 VanDerWaalsContact O-N 3.1Å; R177-T179 PolarHBondContact O-OG1 3.17Å; T179-G273 WeakPolarHBondContact CA-O 3.35Å; T179-G273 WeakPolarHBondContact CG2-O 3.37Å
180F97.9Very high97.2Very high26 Ų2610.9 Ų10.911%0.1145%0.048CC..EExtended strand (participates in β ladder)trans-111.6118.116353-79000107.9K201 W203 C272 G273F180-K201 HydrophobicContact CD1-CD 4.38Å; F180-K201 HydrophobicContact CE1-CD 3.53Å; F180-K201 HydrophobicContact CE1-CG 3.65Å; F180-K201 HydrophobicContact CZ-CD 3.93Å; F180-K201 HydrophobicContact CZ-CG 4.17Å; F180-W203 HydrophobicContact CE2-CD2 4.02Å; F180-W203 AromaticContact CE2-CE3 3.65Å; F180-W203 HydrophobicContact CE2-CE3 3.65Å; F180-W203 HydrophobicContact CE2-CH2 4.33Å; F180-W203 AromaticContact CE2-CZ3 3.83Å; F180-W203 HydrophobicContact CE2-CZ3 3.83Å; F180-W203 AromaticContact CZ-CD2 3.72Å; F180-W203 HydrophobicContact CZ-CD2 3.72Å; F180-W203 AromaticContact CZ-CE2 3.97Å; F180-W203 AromaticContact CZ-CE3 3.86Å; F180-W203 HydrophobicContact CZ-CE3 3.86Å; F180-W203 HydrophobicContact CZ-CG 4.15Å; F180-W203 HydrophobicContact CZ-CH2 4.45Å; F180-W203 HydrophobicContact CZ-CZ2 4.34Å; F180-W203 HydrophobicContact CZ-CZ3 4.23Å; F180-C272 VanDerWaalsContact CE2-O 3.31Å; F180-C272 WeakPolarHBondContact CE2-O 3.48Å; F180-C272 WeakPolarHBondContact O-CA 3.17Å; F180-C272 WeakPolarHBondContact O-CB 3.23Å; F180-G273 VanDerWaalsContact CD1-O 3.3Å; F180-G273 WeakPolarHBondContact CD1-O 3.49Å; F180-G273 WeakPolarHBondContact CE1-O 3.48Å; F180-G273 PolarHBondContact N-O 2.9Å; F180-G273 PolarHBondContact O-N 2.97Å
181A98Very high97.3Very high4 Ų49.4 Ų9.43%0.0334%0.043CC..EExtended strand (participates in β ladder)trans-65.1168.7-174.900000112.4L78 H183 K236 I238L78-A181 HydrophobicContact CD1-CB 3.81Å; A181-H183 PolarHBondContact O-N 2.75Å; A181-H183 PolarHBondContact O-ND1 2.92Å; A181-K236 HydrophobicContact CB-CB 4.36Å; A181-K236 WeakPolarHBondContact CB-O 3.21Å; A181-I238 WeakPolarHBondContact CB-O 3.15Å
182W98.3Very high97.4Very high1 Ų19.4 Ų9.40%0.0044%0.043CC..EExtended strand (participates in β ladder)trans-60.3122.6172.6-74.9109.3000111.2Y204 V206 F214 M233 I238 M240 L245 H271 C272W182-Y204 VanDerWaalsContact CH2-CB 3.47Å; W182-Y204 HydrophobicContact CZ2-CG 4.49Å; W182-V206 HydrophobicContact CH2-CG2 3.84Å; W182-V206 HydrophobicContact CZ3-CB 4.44Å; W182-V206 HydrophobicContact CZ3-CG2 3.88Å; W182-F214 HydrophobicContact CB-CE1 4.06Å; W182-F214 HydrophobicContact CB-CZ 4.03Å; W182-F214 AromaticContact CD1-CZ 3.92Å; W182-F214 AromaticContact CD2-CE1 3.83Å; W182-F214 HydrophobicContact CD2-CE1 3.83Å; W182-F214 AromaticContact CD2-CZ 3.47Å; W182-F214 HydrophobicContact CD2-CZ 3.47Å; W182-F214 VanDerWaalsContact CD2-CZ 3.47Å; W182-F214 AromaticContact CE2-CZ 3.79Å; W182-F214 AromaticContact CE3-CE1 3.81Å; W182-F214 HydrophobicContact CE3-CE1 3.81Å; W182-F214 AromaticContact CE3-CZ 3.88Å; W182-F214 HydrophobicContact CE3-CZ 3.88Å; W182-F214 AromaticContact CG-CE1 3.99Å; W182-F214 HydrophobicContact CG-CE1 3.99Å; W182-F214 AromaticContact CG-CZ 3.56Å; W182-F214 HydrophobicContact CG-CZ 3.56Å; W182-F214 HydrophobicContact CZ2-CZ 4.45Å; W182-F214 HydrophobicContact CZ3-CE1 4.49Å; W182-M233 HydrophobicContact CB-CE 3.61Å; W182-I238 PolarHBondContact N-O 3.43Å; W182-M240 PolarHBondContact NE1-O 2.92Å; W182-L245 HydrophobicContact CH2-CD2 4.04Å; W182-L245 HydrophobicContact CZ2-CD2 3.72Å; W182-H271 WeakPolarHBondContact CA-O 3.22Å; W182-C272 HydrophobicContact CB-CB 4.26Å; W182-C272 HydrophobicContact CD2-CB 3.51Å; W182-C272 VanDerWaalsContact CD2-SG 3.58Å; W182-C272 HydrophobicContact CE3-CB 3.82Å; W182-C272 HydrophobicContact CG-CB 3.69Å; W182-C272 HydrophobicContact CZ2-CB 4.48Å; W182-C272 WeakPolarHBondContact CZ2-SG 3.13Å; W182-C272 HydrophobicContact CZ3-CB 4.42Å; W182-C272 PolarHBondContact NE1-SG 3.32Å
183H98Very high97.5Very high14 Ų147.8 Ų7.87%0.0654%0.037CC..EExtended strand (participates in β ladder)trans-158.8166.3175.567.1-65.5000111.8A181 K236 Y270 H271A181-H183 PolarHBondContact O-N 2.75Å; A181-H183 PolarHBondContact O-ND1 2.92Å; H183-K236 HydrophobicContact CB-CD 4.42Å; H183-K236 HydrophobicContact CB-CG 3.9Å; H183-K236 VanDerWaalsContact CD2-CE 3.47Å; H183-K236 WeakPolarHBondContact CD2-CE 3.48Å; H183-Y270 WeakPolarHBondContact O-CA 3.45Å; H183-H271 AromaticContact CE1-CD2 3.78Å; H183-H271 AromaticContact CE1-NE2 3.33Å; H183-H271 PolarHBondContact CE1-NE2 2.97Å; H183-H271 VanDerWaalsContact CE1-NE2 3.33Å; H183-H271 PolarHBondContact N-O 3.18Å; H183-H271 VanDerWaalsContact N-O 3.07Å; H183-H271 PolarHBondContact ND1-O 3.02Å; H183-H271 AromaticContact NE2-NE2 3.48Å; H183-H271 PolarHBondContact NE2-NE2 3.28Å; H183-H271 PolarHBondContact O-N 3.22Å; H183-H271 PolarHBondContact O-ND1 3.15Å
184T97.9Very high97.5Very high2 Ų28.2 Ų8.21%0.0124%0.039CC..PPolyproline II helixtrans-103.1161.8156.561.40000108.5D188 R234 Y268 Y270T184-D188 WeakPolarHBondContact CB-OD1 3.44Å; T184-D188 PolarHBondContact OG1-OD1 3.09Å; T184-R234 PolarHBondContact OG1-NH1 3.23Å; T184-Y268 HydrophobicContact CG2-CD2 4.35Å; T184-Y270 HydrophobicContact CG2-CD1 4Å; T184-Y270 HydrophobicContact CG2-CD2 3.89Å; T184-Y270 HydrophobicContact CG2-CE1 3.94Å; T184-Y270 HydrophobicContact CG2-CE2 3.87Å; T184-Y270 HydrophobicContact CG2-CG 3.97Å
185E96.7Very high97.6Very high20 Ų208.2 Ų8.29%0.0934%0.039CC..PPolyproline II helixtrans-64.1158.3175.1-62.7-59.9155.700112.4M187 D188 L189 S191 R234 H271 N285E185-M187 PolarHBondContact O-N 3.18Å; E185-D188 VanDerWaalsContact O-CA 3.29Å; E185-D188 WeakPolarHBondContact O-CA 3.19Å; E185-D188 PolarHBondContact O-N 3.39Å; E185-L189 HydrophobicContact CB-CB 4.23Å; E185-L189 WeakPolarHBondContact CB-O 3.39Å; E185-S191 VanDerWaalsContact CD-OG 3.23Å; E185-S191 WeakPolarHBondContact OE1-CB 3.3Å; E185-S191 PolarHBondContact OE1-OG 2.73Å; E185-R234 PolarHBondContact O-NH1 3.27Å; E185-H271 IonicContact OE1-CE1 3.94Å; E185-H271 PolarHBondContact OE1-CE1 3.2Å; E185-H271 VanDerWaalsContact OE1-CE1 3.27Å; E185-H271 IonicContact OE1-NE2 3.51Å; E185-H271 PolarHBondContact OE1-NE2 2.97Å; E185-N285 WeakPolarHBondContact CB-ND2 3.48Å; E185-N285 WeakPolarHBondContact CG-ND2 3.48Å; E185-N285 PolarHBondContact OE2-ND2 3.11Å
186D93Very high97.5Very high30 Ų308.5 Ų8.516%0.164%0.04CC..G310 helixtrans-57.6137.1175.5-73-58.7000111V166 D188 L189 V308V166-D186 HydrophobicContact CG2-CB 4.4Å; D186-D188 PolarHBondContact O-N 2.82Å; D186-L189 WeakPolarHBondContact O-CB 3.47Å; D186-L189 VanDerWaalsContact O-CD1 3.32Å; D186-L189 WeakPolarHBondContact O-CD1 3.38Å; D186-L189 VanDerWaalsContact O-CG 3.27Å; D186-L189 WeakPolarHBondContact O-CG 3.31Å; D186-L189 PolarHBondContact O-N 3.04Å; D186-L189 VanDerWaalsContact O-N 3.08Å; D186-V308 HydrophobicContact CB-CB 3.81Å; D186-V308 HydrophobicContact CB-CG1 3.94Å; D186-V308 HydrophobicContact CB-CG2 4.18Å
187M93.7Very high97.4Very high6 Ų69.3 Ų9.33%0.034%0.044CC..G310 helixtrans5324.5-172-59.7-66.6-56.800113.8E185 L189 W291 G295 L300 I310 M312E185-M187 PolarHBondContact O-N 3.18Å; M187-L189 HydrophobicContact CB-CD1 4.48Å; M187-L189 HydrophobicContact CB-CG 4.37Å; M187-L189 PolarHBondContact O-N 3.37Å; M187-W291 HydrophobicContact CB-CZ2 4.11Å; M187-W291 PolarHBondContact O-NE1 3.17Å; M187-G295 VanDerWaalsContact CE-O 3.28Å; M187-G295 WeakPolarHBondContact CE-O 3.31Å; M187-G295 WeakPolarHBondContact O-CA 3.31Å; M187-L300 HydrophobicContact SD-CD1 3.68Å; M187-L300 HydrophobicContact SD-CD2 3.56Å; M187-L300 VanDerWaalsContact SD-CD2 3.56Å; M187-L300 HydrophobicContact SD-CG 4.26Å; M187-I310 HydrophobicContact CB-CD1 4.25Å; M187-I310 HydrophobicContact CE-CB 4.24Å; M187-I310 HydrophobicContact CG-CB 3.95Å; M187-I310 HydrophobicContact CG-CD1 3.85Å; M187-I310 HydrophobicContact CG-CG1 3.82Å; M187-I310 HydrophobicContact SD-CB 4.41Å; M187-M312 HydrophobicContact CE-CG 4.13Å; M187-M312 HydrophobicContact CE-SD 3.87Å
188D96.4Very high97.4Very high5 Ų510 Ų103%0.0276%0.059CC..G310 helixtrans49.437.7-174.1-59.5-33.3000112.7T184 E185 D186 R234 P267 W291 F294 A298T184-D188 WeakPolarHBondContact CB-OD1 3.44Å; T184-D188 PolarHBondContact OG1-OD1 3.09Å; E185-D188 VanDerWaalsContact O-CA 3.29Å; E185-D188 WeakPolarHBondContact O-CA 3.19Å; E185-D188 PolarHBondContact O-N 3.39Å; D186-D188 PolarHBondContact O-N 2.82Å; D188-R234 VanDerWaalsContact CG-NH2 3.29Å; D188-R234 IonicContact OD1-CZ 2.86Å; D188-R234 IonicContact OD1-NH1 3.43Å; D188-R234 PolarHBondContact OD1-NH1 3.23Å; D188-R234 IonicContact OD1-NH2 3.52Å; D188-R234 PolarHBondContact OD1-NH2 3.35Å; D188-R234 IonicContact OD2-NH2 2.8Å; D188-R234 PolarHBondContact OD2-NH2 3.38Å; D188-P267 WeakPolarHBondContact O-CA 3.48Å; D188-P267 WeakPolarHBondContact O-CB 3.38Å; D188-W291 VanDerWaalsContact O-CD1 3.23Å; D188-F294 HydrophobicContact CB-CB 4.27Å; D188-A298 HydrophobicContact CB-CB 4.42Å; D188-A298 WeakPolarHBondContact OD2-CA 3.3Å; D188-A298 WeakPolarHBondContact OD2-CB 3.34Å
189L97.8Very high97.4Very high1 Ų113.9 Ų13.91%0.0058%0.077CC..  trans-62.2168.2174.5-78.2163000112.5L152 V166 E185 D186 M187 N285 F286 A287 W291 I310L152-L189 HydrophobicContact CD1-CD1 4.14Å; L152-L189 HydrophobicContact CD1-CD2 3.82Å; L152-L189 HydrophobicContact CD2-CD1 4.12Å; L152-L189 HydrophobicContact CD2-CD2 4.17Å; V166-L189 HydrophobicContact CG1-CD1 3.73Å; E185-L189 HydrophobicContact CB-CB 4.23Å; E185-L189 WeakPolarHBondContact CB-O 3.39Å; D186-L189 WeakPolarHBondContact O-CB 3.47Å; D186-L189 VanDerWaalsContact O-CD1 3.32Å; D186-L189 WeakPolarHBondContact O-CD1 3.38Å; D186-L189 VanDerWaalsContact O-CG 3.27Å; D186-L189 WeakPolarHBondContact O-CG 3.31Å; D186-L189 PolarHBondContact O-N 3.04Å; D186-L189 VanDerWaalsContact O-N 3.08Å; M187-L189 HydrophobicContact CB-CD1 4.48Å; M187-L189 HydrophobicContact CB-CG 4.37Å; M187-L189 PolarHBondContact O-N 3.37Å; L189-N285 HydrophobicContact CB-CB 3.99Å; L189-N285 HydrophobicContact CD1-CB 3.77Å; L189-N285 HydrophobicContact CG-CB 4.42Å; L189-F286 WeakPolarHBondContact CD2-O 3.18Å; L189-A287 HydrophobicContact CD2-CB 3.75Å; L189-W291 HydrophobicContact CD2-CD2 3.65Å; L189-W291 HydrophobicContact CD2-CE3 4.3Å; L189-W291 HydrophobicContact CD2-CG 4.04Å; L189-W291 HydrophobicContact CD2-CH2 4.12Å; L189-W291 HydrophobicContact CD2-CZ2 3.49Å; L189-W291 VanDerWaalsContact CD2-CZ2 3.49Å; L189-W291 HydrophobicContact CD2-CZ3 4.49Å; L189-W291 HydrophobicContact CG-CZ2 3.94Å; L189-I310 HydrophobicContact CD1-CD1 3.94Å
190H98.3Very high97.4Very high0 Ų015 Ų150%08%0.084CC..EExtended strand (participates in β ladder)trans-72.7153.3157-60.672.4000109.2E28 T265 F266 P267 N285 F286 N288E28-H190 IonicContact OE1-CD2 2.91Å; E28-H190 IonicContact OE1-CE1 3.69Å; E28-H190 IonicContact OE1-NE2 2.72Å; E28-H190 PolarHBondContact OE1-NE2 3.4Å; H190-T265 WeakPolarHBondContact CA-O 3.35Å; H190-T265 WeakPolarHBondContact CB-O 3.48Å; H190-F266 AromaticContact CD2-CD1 3.66Å; H190-F266 AromaticContact NE2-CD1 3.67Å; H190-P267 WeakPolarHBondContact CE1-CD 3.39Å; H190-P267 WeakPolarHBondContact CE1-CG 3.5Å; H190-P267 WeakPolarHBondContact ND1-CG 3.34Å; H190-P267 WeakPolarHBondContact NE2-CD 3.23Å; H190-N285 VanDerWaalsContact O-CA 3.25Å; H190-N285 WeakPolarHBondContact O-CA 3.49Å; H190-N285 WeakPolarHBondContact O-CB 3.44Å; H190-N285 PolarHBondContact O-ND2 3.48Å; H190-N285 VanDerWaalsContact O-ND2 3.12Å; H190-F286 HydrophobicContact CB-CD1 3.82Å; H190-F286 HydrophobicContact CB-CD2 3.96Å; H190-F286 HydrophobicContact CB-CE1 3.46Å; H190-F286 VanDerWaalsContact CB-CE1 3.46Å; H190-F286 HydrophobicContact CB-CE2 3.6Å; H190-F286 HydrophobicContact CB-CG 4.06Å; H190-F286 HydrophobicContact CB-CZ 3.35Å; H190-F286 WeakPolarHBondContact CB-O 3.31Å; H190-F286 AromaticContact CD2-CE2 3.89Å; H190-F286 AromaticContact CD2-CZ 3.8Å; H190-F286 AromaticContact CG-CE2 3.72Å; H190-F286 AromaticContact CG-CZ 3.77Å; H190-F286 PolarHBondContact N-O 2.96Å; H190-F286 PolarHBondContact O-N 3.39Å; H190-N288 PolarHBondContact CE1-OD1 3.15Å
191S98.3Very high97.5Very high2 Ų213.9 Ų13.91%0.0148%0.08CC..EExtended strand (participates in β ladder)trans-124151.1160.267.40000112.1E185 I264 T265 T284E185-S191 VanDerWaalsContact CD-OG 3.23Å; E185-S191 WeakPolarHBondContact OE1-CB 3.3Å; E185-S191 PolarHBondContact OE1-OG 2.73Å; S191-I264 WeakPolarHBondContact O-CA 3.43Å; S191-T265 WeakPolarHBondContact CB-OG1 3.34Å; S191-T265 PolarHBondContact N-O 3.48Å; S191-T265 PolarHBondContact N-OG1 3.07Å; S191-T265 PolarHBondContact O-N 3.13Å; S191-T265 WeakPolarHBondContact OG-CG2 3.35Å; S191-T265 PolarHBondContact OG-OG1 3.04Å; S191-T284 WeakPolarHBondContact CA-O 3.31Å
192I98.5Very high97.5Very high0 Ų013.8 Ų13.80%08%0.078CC..EExtended strand (participates in β ladder)trans-115.6137.2168.6-177.8167.3000108.5F20 W143 I145 L148 F262 M263 I264 S283 T284 F286F20-I192 HydrophobicContact CE2-CD1 3.82Å; F20-I192 HydrophobicContact CZ-CD1 4.32Å; W143-I192 HydrophobicContact CE3-CD1 3.85Å; W143-I192 HydrophobicContact CZ3-CD1 4.1Å; I145-I192 HydrophobicContact CD1-CG1 4.46Å; I145-I192 HydrophobicContact CD1-CG2 4.47Å; I145-I192 HydrophobicContact CG1-CD1 4.45Å; I145-I192 HydrophobicContact CG1-CG2 4.25Å; I145-I192 HydrophobicContact CG2-CG2 4.39Å; L148-I192 HydrophobicContact CD1-CG2 3.63Å; L148-I192 HydrophobicContact CD2-CD1 4.3Å; I192-F262 HydrophobicContact CD1-CD1 3.56Å; I192-F262 HydrophobicContact CD1-CE1 3.75Å; I192-F262 HydrophobicContact CG1-CD1 3.69Å; I192-F262 HydrophobicContact CG1-CE1 4.22Å; I192-M263 CarbonylContact C-O 3.57Å; I192-M263 WeakPolarHBondContact CA-O 3.05Å; I192-I264 HydrophobicContact CB-CD1 3.78Å; I192-I264 HydrophobicContact CD1-CD1 3.85Å; I192-I264 HydrophobicContact CG1-CD1 3.6Å; I192-S283 WeakPolarHBondContact O-CA 3.44Å; I192-S283 WeakPolarHBondContact O-CB 3.48Å; I192-S283 PolarHBondContact O-OG 3.27Å; I192-T284 HydrophobicContact CG2-CG2 3.99Å; I192-T284 PolarHBondContact N-O 3.38Å; I192-T284 PolarHBondContact O-N 2.91Å; I192-F286 HydrophobicContact CB-CD1 4.16Å; I192-F286 HydrophobicContact CB-CE1 4.02Å; I192-F286 HydrophobicContact CG2-CD1 4.16Å
193N98.7Very high97.5Very high8 Ų814.1 Ų14.14%0.0438%0.08CC..EExtended strand (participates in β ladder)trans-133.6120176.5-166.2-83000109.9W203 H257 F262 M263 A281 E282 S283N193-W203 HydrophobicContact CB-CH2 4.13Å; N193-W203 HydrophobicContact CB-CZ2 4.07Å; N193-H257 PolarHBondContact OD1-CE1 3Å; N193-H257 VanDerWaalsContact OD1-CE1 3.28Å; N193-F262 CarbonylContact O-C 3.59Å; N193-F262 WeakPolarHBondContact O-CA 3.43Å; N193-M263 HydrophobicContact CB-CB 4.33Å; N193-M263 PolarHBondContact N-O 3.43Å; N193-M263 PolarHBondContact O-N 3.05Å; N193-A281 WeakPolarHBondContact OD1-CB 3.43Å; N193-E282 CarbonylContact C-O 3.53Å; N193-E282 WeakPolarHBondContact CA-O 3.04Å; N193-S283 WeakPolarHBondContact CB-OG 3.36Å; N193-S283 WeakPolarHBondContact ND2-CB 3.31Å; N193-S283 PolarHBondContact ND2-OG 2.8Å
194Y98.6Very high97.5Very high9 Ų913.5 Ų13.54%0.0358%0.077CC..EExtended strand (participates in β ladder)trans-108.1124.9174.7-177.2-102.9000110.1W46 P48 F136 H196 G260 E261 F262 A281 E282W46-Y194 HydrophobicContact CH2-CE2 4.27Å; W46-Y194 AromaticContact CZ3-CE2 3.74Å; W46-Y194 HydrophobicContact CZ3-CE2 3.74Å; W46-Y194 AromaticContact CZ3-CZ 3.88Å; P48-Y194 HydrophobicContact CB-CE1 4Å; P48-Y194 WeakPolarHBondContact CD-OH 3.45Å; P48-Y194 HydrophobicContact CG-CE1 3.57Å; P48-Y194 WeakPolarHBondContact CG-OH 3.18Å; F136-Y194 HydrophobicContact CE2-CD1 4.16Å; F136-Y194 HydrophobicContact CE2-CG 4.49Å; F136-Y194 HydrophobicContact CZ-CD1 4.07Å; F136-Y194 HydrophobicContact CZ-CG 4.13Å; Y194-H196 HydrophobicContact CD1-CB 4.48Å; Y194-H196 AromaticContact CD1-CD2 3.94Å; Y194-H196 AromaticContact CD1-CE1 3.66Å; Y194-H196 AromaticContact CD1-CG 3.75Å; Y194-H196 AromaticContact CD1-ND1 3.58Å; Y194-H196 AromaticContact CD1-NE2 3.88Å; Y194-H196 HydrophobicContact CE1-CB 4.32Å; Y194-H196 AromaticContact CE1-CE1 3.87Å; Y194-H196 AromaticContact CE1-CG 3.83Å; Y194-H196 AromaticContact CE1-ND1 3.41Å; Y194-H196 WeakPolarHBondContact CE1-ND1 3.49Å; Y194-H196 PolarHBondContact O-N 3.12Å; Y194-G260 WeakPolarHBondContact OH-CA 3.37Å; Y194-E261 WeakPolarHBondContact CD2-O 3.32Å; Y194-F262 AromaticContact CD2-CD1 3.68Å; Y194-F262 HydrophobicContact CD2-CD1 3.68Å; Y194-F262 AromaticContact CD2-CD2 3.65Å; Y194-F262 HydrophobicContact CD2-CD2 3.65Å; Y194-F262 AromaticContact CD2-CE1 3.52Å; Y194-F262 HydrophobicContact CD2-CE1 3.52Å; Y194-F262 AromaticContact CD2-CE2 3.43Å; Y194-F262 HydrophobicContact CD2-CE2 3.43Å; Y194-F262 VanDerWaalsContact CD2-CE2 3.43Å; Y194-F262 AromaticContact CD2-CG 3.77Å; Y194-F262 HydrophobicContact CD2-CG 3.77Å; Y194-F262 AromaticContact CD2-CZ 3.39Å; Y194-F262 HydrophobicContact CD2-CZ 3.39Å; Y194-F262 HydrophobicContact CE2-CD2 4.07Å; Y194-F262 HydrophobicContact CE2-CE1 4.5Å; Y194-F262 AromaticContact CE2-CE2 3.69Å; Y194-F262 HydrophobicContact CE2-CE2 3.69Å; Y194-F262 AromaticContact CE2-CZ 3.95Å; Y194-F262 HydrophobicContact CE2-CZ 3.95Å; Y194-F262 HydrophobicContact CG-CD1 4.13Å; Y194-F262 AromaticContact CG-CE1 3.82Å; Y194-F262 HydrophobicContact CG-CE1 3.82Å; Y194-F262 HydrophobicContact CG-CE2 4.45Å; Y194-F262 AromaticContact CG-CZ 3.99Å; Y194-F262 HydrophobicContact CG-CZ 3.99Å; Y194-A281 CarbonylContact O-C 3.53Å; Y194-A281 VanDerWaalsContact O-CA 3.25Å; Y194-A281 WeakPolarHBondContact O-CA 3.43Å; Y194-E282 PolarHBondContact N-O 3.46Å; Y194-E282 PolarHBondContact O-N 3.12Å
195L98.5Very high97.5Very high0 Ų013.4 Ų13.40%08%0.076CC..EExtended strand (participates in β ladder)trans-90.3101.1176.8-166.766.1000109H257 A259 G260 E261 N279 A281L195-H257 WeakPolarHBondContact CB-NE2 3.38Å; L195-H257 VanDerWaalsContact CD2-O 3.29Å; L195-H257 WeakPolarHBondContact CD2-O 3.39Å; L195-A259 CarbonylContact O-C 3.36Å; L195-A259 WeakPolarHBondContact O-CA 3.43Å; L195-G260 PolarHBondContact O-N 3.42Å; L195-E261 PolarHBondContact N-O 2.89Å; L195-N279 HydrophobicContact CD1-CB 4.1Å; L195-A281 HydrophobicContact CD1-CB 3.76Å
196H97.6Very high97.6Very high7 Ų712.5 Ų12.53%0.0327%0.072CC..EExtended strand (participates in β ladder)trans-62.1-52.5-175.8-78.7-77.8000112.5Y54 L135 F136 Y194 C280 E282Y54-H196 HydrophobicContact CD1-CB 4.39Å; Y54-H196 HydrophobicContact CE1-CB 3.72Å; Y54-H196 AromaticContact CE1-CG 3.95Å; Y54-H196 AromaticContact CE1-ND1 3.62Å; L135-H196 HydrophobicContact CD1-CB 4.42Å; F136-H196 AromaticContact CD2-CE1 3.71Å; F136-H196 AromaticContact CD2-NE2 3.94Å; F136-H196 AromaticContact CE2-CE1 3.57Å; F136-H196 AromaticContact CE2-NE2 3.7Å; Y194-H196 HydrophobicContact CD1-CB 4.48Å; Y194-H196 AromaticContact CD1-CD2 3.94Å; Y194-H196 AromaticContact CD1-CE1 3.66Å; Y194-H196 AromaticContact CD1-CG 3.75Å; Y194-H196 AromaticContact CD1-ND1 3.58Å; Y194-H196 AromaticContact CD1-NE2 3.88Å; Y194-H196 HydrophobicContact CE1-CB 4.32Å; Y194-H196 AromaticContact CE1-CE1 3.87Å; Y194-H196 AromaticContact CE1-CG 3.83Å; Y194-H196 AromaticContact CE1-ND1 3.41Å; Y194-H196 WeakPolarHBondContact CE1-ND1 3.49Å; Y194-H196 PolarHBondContact O-N 3.12Å; H196-C280 PolarHBondContact N-O 2.76Å; H196-E282 IonicContact CD2-OE2 2.79Å; H196-E282 IonicContact CE1-OE2 3.04Å; H196-E282 VanDerWaalsContact NE2-CB 3.34Å; H196-E282 WeakPolarHBondContact NE2-CB 3.46Å; H196-E282 IonicContact NE2-OE2 2.8Å; H196-E282 PolarHBondContact NE2-OE2 2.88Å
197F96.6Very high97.7Very high30 Ų3011.7 Ų11.713%0.1327%0.069CC..EExtended strand (participates in β ladder)trans-155.2169.8-176.363.1-101.7000112.4Y54 L135 Y278 N279 C280Y54-F197 AromaticContact CD1-CD1 3.6Å; Y54-F197 HydrophobicContact CD1-CD1 3.6Å; Y54-F197 AromaticContact CD1-CE1 3.86Å; Y54-F197 HydrophobicContact CD1-CE1 3.86Å; Y54-F197 HydrophobicContact CD2-CB 4.28Å; Y54-F197 AromaticContact CD2-CD1 3.69Å; Y54-F197 HydrophobicContact CD2-CD1 3.69Å; Y54-F197 HydrophobicContact CD2-CE1 4.41Å; Y54-F197 HydrophobicContact CD2-CG 4.29Å; Y54-F197 HydrophobicContact CE1-CD1 4.05Å; Y54-F197 HydrophobicContact CE2-CB 4.23Å; Y54-F197 HydrophobicContact CE2-CD1 4.14Å; Y54-F197 AromaticContact CG-CD1 3.4Å; Y54-F197 HydrophobicContact CG-CD1 3.4Å; Y54-F197 AromaticContact CG-CE1 3.72Å; Y54-F197 HydrophobicContact CG-CE1 3.72Å; Y54-F197 HydrophobicContact CG-CG 4.38Å; L135-F197 HydrophobicContact CD1-CE1 4.48Å; F197-Y278 HydrophobicContact CD2-CE1 4.3Å; F197-Y278 HydrophobicContact CE2-CD1 4.46Å; F197-Y278 AromaticContact CE2-CE1 3.6Å; F197-Y278 HydrophobicContact CE2-CE1 3.6Å; F197-Y278 AromaticContact CE2-CZ 3.64Å; F197-N279 WeakPolarHBondContact O-CA 3.3Å; F197-N279 WeakPolarHBondContact O-CB 3.5Å; F197-C280 HydrophobicContact CD1-CB 3.94Å; F197-C280 HydrophobicContact CD2-CB 4.25Å; F197-C280 HydrophobicContact CE1-CB 3.34Å; F197-C280 HydrophobicContact CE2-CB 3.66Å; F197-C280 HydrophobicContact CG-CB 4.37Å; F197-C280 HydrophobicContact CZ-CB 3.19Å; F197-C280 PolarHBondContact O-N 2.87Å; F197-C280 VanDerWaalsContact O-N 3.13Å
198G96.8Very high97.6Very high41 Ų4112.4 Ų12.442%0.4237%0.074SC..EExtended strand (participates in β ladder)trans91.2-156.3169.300000114Y278G198-Y278 WeakPolarHBondContact CA-O 3.21Å
199H98.2Very high97.3Very high81 Ų8119.8 Ų19.838%0.37511%0.108SC..SBendtrans-68.7153.8-178.1-77.8-90.1000112.6V276 Y278 N279H199-V276 HydrophobicContact CB-CB 4.18Å; H199-V276 HydrophobicContact CB-CG1 4.43Å; H199-Y278 PolarHBondContact N-O 3.45Å; H199-N279 WeakPolarHBondContact O-CB 3.19Å; H199-N279 PolarHBondContact O-ND2 2.8Å
200P98.5Very high97.1Very high27 Ų2721.3 Ų21.318%0.17512%0.115CC..  trans-60.7164.5179.5-21.933000114.2I256 H257 V276P200-I256 HydrophobicContact CB-CG2 3.66Å; P200-I256 HydrophobicContact CG-CG2 4.23Å; P200-H257 CarbonylContact C-O 3.57Å; P200-H257 WeakPolarHBondContact CA-O 3.48Å; P200-H257 WeakPolarHBondContact CB-O 3.25Å; P200-V276 HydrophobicContact CB-CG2 4.24Å; P200-V276 VanDerWaalsContact O-CB 3.25Å; P200-V276 WeakPolarHBondContact O-CB 3.48Å; P200-V276 VanDerWaalsContact O-CG2 3.26Å; P200-V276 WeakPolarHBondContact O-CG2 3.5Å; P200-V276 PolarHBondContact O-N 3.18Å
201K98.7Very high96.8Very high3 Ų321.3 Ų21.31%0.01312%0.115CC..EExtended strand (participates in β ladder)trans-111.6132.2166.9-162.4-173.7-59.5-79.80108.6F180 W203 H257 N275F180-K201 HydrophobicContact CD1-CD 4.38Å; F180-K201 HydrophobicContact CE1-CD 3.53Å; F180-K201 HydrophobicContact CE1-CG 3.65Å; F180-K201 HydrophobicContact CZ-CD 3.93Å; F180-K201 HydrophobicContact CZ-CG 4.17Å; K201-W203 HydrophobicContact CD-CZ2 3.71Å; K201-H257 HydrophobicContact CB-CB 4.21Å; K201-H257 PolarHBondContact N-O 2.92Å; K201-H257 WeakPolarHBondContact O-CB 3.43Å; K201-H257 PolarHBondContact O-N 3Å; K201-N275 PolarHBondContact NZ-OD1 2.85Å
202F98.5Very high96.2Very high2 Ų223.1 Ų23.11%0.00913%0.13CC..EExtended strand (participates in β ladder)trans-94.3131.1177-160.8-64.4000108.5T109 E113 Y204 T254 I256 G273 F274T109-F202 HydrophobicContact CG2-CD2 4.37Å; T109-F202 HydrophobicContact CG2-CE2 3.54Å; T109-F202 HydrophobicContact CG2-CZ 4.28Å; E113-F202 HydrophobicContact CB-CE2 4.02Å; E113-F202 HydrophobicContact CB-CZ 4.13Å; E113-F202 HydrophobicContact CG-CZ 4.46Å; F202-Y204 HydrophobicContact CD1-CD2 4.26Å; F202-Y204 HydrophobicContact CD1-CE1 4.33Å; F202-Y204 AromaticContact CD1-CE2 3.71Å; F202-Y204 HydrophobicContact CD1-CE2 3.71Å; F202-Y204 AromaticContact CD1-CZ 3.75Å; F202-Y204 HydrophobicContact CE1-CD1 4.33Å; F202-Y204 HydrophobicContact CE1-CD2 4.5Å; F202-Y204 AromaticContact CE1-CE1 3.69Å; F202-Y204 HydrophobicContact CE1-CE1 3.69Å; F202-Y204 AromaticContact CE1-CE2 3.93Å; F202-Y204 HydrophobicContact CE1-CE2 3.93Å; F202-Y204 AromaticContact CE1-CZ 3.48Å; F202-Y204 VanDerWaalsContact CE1-CZ 3.48Å; F202-T254 HydrophobicContact CE1-CG2 3.96Å; F202-T254 HydrophobicContact CZ-CG2 4.48Å; F202-I256 HydrophobicContact CB-CD1 4.16Å; F202-I256 HydrophobicContact CD2-CD1 3.2Å; F202-I256 HydrophobicContact CD2-CG1 4.38Å; F202-I256 HydrophobicContact CE2-CD1 3.72Å; F202-I256 HydrophobicContact CG-CD1 3.85Å; F202-G273 CarbonylContact O-C 3.48Å; F202-G273 WeakPolarHBondContact O-CA 3.4Å; F202-F274 HydrophobicContact CB-CD1 3.91Å; F202-F274 HydrophobicContact CB-CD2 4.22Å; F202-F274 HydrophobicContact CB-CE1 3.51Å; F202-F274 HydrophobicContact CB-CE2 3.85Å; F202-F274 HydrophobicContact CB-CG 4.25Å; F202-F274 HydrophobicContact CB-CZ 3.48Å; F202-F274 VanDerWaalsContact CB-CZ 3.48Å; F202-F274 AromaticContact CD1-CE1 3.94Å; F202-F274 HydrophobicContact CD1-CE1 3.94Å; F202-F274 HydrophobicContact CD1-CZ 4.36Å; F202-F274 HydrophobicContact CD2-CE1 4.06Å; F202-F274 HydrophobicContact CD2-CE2 4.46Å; F202-F274 AromaticContact CD2-CZ 3.64Å; F202-F274 HydrophobicContact CD2-CZ 3.64Å; F202-F274 HydrophobicContact CE2-CZ 4.48Å; F202-F274 HydrophobicContact CG-CD1 4.4Å; F202-F274 AromaticContact CG-CE1 3.58Å; F202-F274 HydrophobicContact CG-CE1 3.58Å; F202-F274 HydrophobicContact CG-CE2 4.4Å; F202-F274 AromaticContact CG-CZ 3.59Å; F202-F274 HydrophobicContact CG-CZ 3.59Å; F202-F274 PolarHBondContact N-O 3.02Å; F202-F274 PolarHBondContact O-N 3.27Å
203W98.5Very high95.9Very high9 Ų928.5 Ų28.53%0.03415%0.15CC..EExtended strand (participates in β ladder)trans-119.9143.1180-64.674.1000111.5L37 F180 N193 K201 T254 V255 H257 M263 T265 H271 C272L37-W203 HydrophobicContact CD1-CE3 4.27Å; L37-W203 HydrophobicContact CD2-CB 4.01Å; F180-W203 HydrophobicContact CE2-CD2 4.02Å; F180-W203 AromaticContact CE2-CE3 3.65Å; F180-W203 HydrophobicContact CE2-CE3 3.65Å; F180-W203 HydrophobicContact CE2-CH2 4.33Å; F180-W203 AromaticContact CE2-CZ3 3.83Å; F180-W203 HydrophobicContact CE2-CZ3 3.83Å; F180-W203 AromaticContact CZ-CD2 3.72Å; F180-W203 HydrophobicContact CZ-CD2 3.72Å; F180-W203 AromaticContact CZ-CE2 3.97Å; F180-W203 AromaticContact CZ-CE3 3.86Å; F180-W203 HydrophobicContact CZ-CE3 3.86Å; F180-W203 HydrophobicContact CZ-CG 4.15Å; F180-W203 HydrophobicContact CZ-CH2 4.45Å; F180-W203 HydrophobicContact CZ-CZ2 4.34Å; F180-W203 HydrophobicContact CZ-CZ3 4.23Å; N193-W203 HydrophobicContact CB-CH2 4.13Å; N193-W203 HydrophobicContact CB-CZ2 4.07Å; K201-W203 HydrophobicContact CD-CZ2 3.71Å; W203-T254 VanDerWaalsContact O-CA 3.23Å; W203-T254 WeakPolarHBondContact O-CA 3.45Å; W203-V255 HydrophobicContact CB-CG1 3.8Å; W203-V255 HydrophobicContact CG-CG1 4.39Å; W203-V255 PolarHBondContact N-O 3.49Å; W203-V255 PolarHBondContact O-N 3.37Å; W203-H257 AromaticContact CE2-ND1 3.96Å; W203-H257 VanDerWaalsContact NE1-CB 3.3Å; W203-H257 AromaticContact NE1-CG 3.67Å; W203-H257 AromaticContact NE1-ND1 3.29Å; W203-H257 PolarHBondContact NE1-ND1 2.79Å; W203-M263 HydrophobicContact CZ2-CB 4.13Å; W203-M263 HydrophobicContact CZ2-CG 4.18Å; W203-T265 HydrophobicContact CZ3-CG2 4.04Å; W203-H271 AromaticContact CZ3-CD2 3.66Å; W203-C272 CarbonylContact C-O 3.58Å; W203-C272 WeakPolarHBondContact CA-O 3.42Å
204Y98.2Very high95.7Very high1 Ų128.1 Ų28.10%0.00415%0.148CC..EExtended strand (participates in β ladder)trans-115.6144.8163.5-55-93.2000108.3E113 W117 W182 F202 P242 Y252 S253 T254 H271 C272 F274E113-Y204 VanDerWaalsContact CG-OH 3.3Å; E113-Y204 WeakPolarHBondContact CG-OH 3.45Å; E113-Y204 WeakPolarHBondContact OE1-CE1 3.35Å; E113-Y204 PolarHBondContact OE1-OH 3.12Å; W117-Y204 HydrophobicContact CZ2-CE2 4.24Å; W117-Y204 AromaticContact NE1-CZ 3.74Å; W117-Y204 PolarHBondContact NE1-OH 3.24Å; W182-Y204 VanDerWaalsContact CH2-CB 3.47Å; W182-Y204 HydrophobicContact CZ2-CG 4.49Å; F202-Y204 HydrophobicContact CD1-CD2 4.26Å; F202-Y204 HydrophobicContact CD1-CE1 4.33Å; F202-Y204 AromaticContact CD1-CE2 3.71Å; F202-Y204 HydrophobicContact CD1-CE2 3.71Å; F202-Y204 AromaticContact CD1-CZ 3.75Å; F202-Y204 HydrophobicContact CE1-CD1 4.33Å; F202-Y204 HydrophobicContact CE1-CD2 4.5Å; F202-Y204 AromaticContact CE1-CE1 3.69Å; F202-Y204 HydrophobicContact CE1-CE1 3.69Å; F202-Y204 AromaticContact CE1-CE2 3.93Å; F202-Y204 HydrophobicContact CE1-CE2 3.93Å; F202-Y204 AromaticContact CE1-CZ 3.48Å; F202-Y204 VanDerWaalsContact CE1-CZ 3.48Å; Y204-P242 HydrophobicContact CD1-CG 3.74Å; Y204-P242 HydrophobicContact CE1-CB 4.28Å; Y204-P242 HydrophobicContact CE1-CG 3.2Å; Y204-Y252 HydrophobicContact CD1-CD2 4.22Å; Y204-Y252 HydrophobicContact CD1-CE2 4.36Å; Y204-S253 CarbonylContact C-O 3.53Å; Y204-S253 WeakPolarHBondContact CA-O 3.44Å; Y204-T254 HydrophobicContact CD1-CG2 3.38Å; Y204-T254 HydrophobicContact CE1-CG2 3.61Å; Y204-T254 HydrophobicContact CG-CG2 4.32Å; Y204-H271 WeakPolarHBondContact O-CA 3.44Å; Y204-H271 WeakPolarHBondContact O-CB 3.36Å; Y204-C272 VanDerWaalsContact CD2-SG 3.52Å; Y204-C272 PolarHBondContact N-O 3.47Å; Y204-C272 PolarHBondContact O-N 2.69Å; Y204-F274 HydrophobicContact CE2-CD1 4.26Å; Y204-F274 HydrophobicContact CE2-CE1 4.08Å
205V98.3Very high95.5Very high0 Ų029.4 Ų29.40%016%0.155CC..EExtended strand (participates in β ladder)trans-137.1137174.563.20000110.9V7 V35 L37 Y252 S253 A269 Y270V7-V205 HydrophobicContact CG2-CG1 4.21Å; V35-V205 HydrophobicContact CG1-CG1 4.2Å; V35-V205 WeakPolarHBondContact O-CG2 3.41Å; L37-V205 HydrophobicContact CB-CB 3.93Å; L37-V205 HydrophobicContact CB-CG1 3.83Å; L37-V205 HydrophobicContact CB-CG2 3.9Å; L37-V205 HydrophobicContact CD2-CB 4.13Å; L37-V205 HydrophobicContact CD2-CG1 4.14Å; V205-Y252 CarbonylContact O-C 3.52Å; V205-Y252 WeakPolarHBondContact O-CA 3.18Å; V205-Y252 VanDerWaalsContact O-CB 3.24Å; V205-Y252 WeakPolarHBondContact O-CB 3.44Å; V205-S253 PolarHBondContact N-O 3.33Å; V205-S253 PolarHBondContact O-N 2.71Å; V205-A269 HydrophobicContact CG2-CB 4.27Å; V205-Y270 CarbonylContact C-O 3.47Å; V205-Y270 VanDerWaalsContact CA-O 3.29Å; V205-Y270 WeakPolarHBondContact CA-O 3.19Å; V205-Y270 WeakPolarHBondContact CG2-O 3.42Å
206V97.5Very high95Very high0 Ų032.9 Ų32.90%017%0.171CC..EExtended strand (participates in β ladder)trans-106.4124.7163.11740000107.1W182 H210 F214 L245 I250 Y270W182-V206 HydrophobicContact CH2-CG2 3.84Å; W182-V206 HydrophobicContact CZ3-CB 4.44Å; W182-V206 HydrophobicContact CZ3-CG2 3.88Å; V206-H210 HydrophobicContact CG1-CB 3.8Å; V206-F214 HydrophobicContact CG1-CB 4.01Å; V206-F214 HydrophobicContact CG1-CG 4.36Å; V206-F214 HydrophobicContact CG2-CD1 4.43Å; V206-F214 HydrophobicContact CG2-CD2 4.38Å; V206-F214 HydrophobicContact CG2-CG 4.25Å; V206-L245 HydrophobicContact CG2-CD2 3.95Å; V206-I250 HydrophobicContact CG1-CG2 4.06Å; V206-I250 HydrophobicContact CG2-CG2 3.98Å; V206-Y270 PolarHBondContact N-O 3.2Å; V206-Y270 PolarHBondContact O-N 2.74Å
207S95.2Very high94.8Very high13 Ų1333.3 Ų33.39%0.09117%0.173CC..  trans-58.4149.9-178.358.90000112.2K34 V35 E209 H210 G211K34-S207 WeakPolarHBondContact O-CB 3.47Å; V35-S207 WeakPolarHBondContact O-CA 3.27Å; S207-E209 PolarHBondContact O-N 3.37Å; S207-E209 VanDerWaalsContact O-N 3.1Å; S207-H210 PolarHBondContact O-N 3.17Å; S207-H210 PolarHBondContact OG-CD2 2.66Å; S207-G211 PolarHBondContact O-N 2.71Å
208P92.2Very high94.6Very high21 Ų2131.9 Ų31.914%0.13617%0.167CC..G310 helixtrans-51.9-35.9177.1-2834.5000114.4P33 H210 G211 P267 Y268 A269P33-P208 WeakPolarHBondContact O-CD 3.33Å; P208-H210 PolarHBondContact O-N 3.38Å; P208-G211 PolarHBondContact O-N 2.88Å; P208-G211 VanDerWaalsContact O-N 3.16Å; P208-P267 WeakPolarHBondContact CG-O 3.38Å; P208-Y268 HydrophobicContact CB-CD1 4.24Å; P208-Y268 WeakPolarHBondContact O-CD1 3.47Å; P208-A269 HydrophobicContact CG-CB 3.96Å
209E90.9Very high94.3Very high160 Ų16031.2 Ų31.275%0.74816%0.157SC*.G310 helixtrans-59.6-29.4177.1-176.2-178157.400113.1S207S207-E209 PolarHBondContact O-N 3.37Å; S207-E209 VanDerWaalsContact O-N 3.1Å
210H92.6Very high93.8Very high34 Ų3431.6 Ų31.616%0.15717%0.165CC..G310 helixtrans-1030.3-178.6-60.1-31.9000113V206 S207 P208 A212 R213 F214V206-H210 HydrophobicContact CG1-CB 3.8Å; S207-H210 PolarHBondContact O-N 3.17Å; S207-H210 PolarHBondContact OG-CD2 2.66Å; P208-H210 PolarHBondContact O-N 3.38Å; H210-A212 PolarHBondContact O-N 2.98Å; H210-R213 PolarHBondContact O-N 3.47Å; H210-F214 PolarHBondContact O-N 3.02Å
211G92.7Very high93.4Very high0 Ų032.9 Ų32.90%017%0.17CC..Hα-helixtrans-54.8-48.5-177.100000113.1S207 P208 R213 F214 E215S207-G211 PolarHBondContact O-N 2.71Å; P208-G211 PolarHBondContact O-N 2.88Å; P208-G211 VanDerWaalsContact O-N 3.16Å; G211-R213 PolarHBondContact O-N 2.73Å; G211-F214 WeakPolarHBondContact O-CB 3.38Å; G211-F214 PolarHBondContact O-N 3.37Å; G211-F214 VanDerWaalsContact O-N 3.14Å; G211-E215 WeakPolarHBondContact O-CG 3.39Å; G211-E215 PolarHBondContact O-N 3.2Å
212A85.8Confident93Very high39 Ų3933.9 Ų33.932%0.32217%0.174SC..Hα-helixtrans-65-36.4-18000000113.4H210 F214 H216H210-A212 PolarHBondContact O-N 2.98Å; A212-F214 VanDerWaalsContact C-N 3.34Å; A212-H216 WeakPolarHBondContact O-CB 3.22Å; A212-H216 PolarHBondContact O-N 2.68Å
213R91.5Very high92.3Very high114 Ų11436 Ų3643%0.4319%0.189SC..Hα-helixtrans-67.4-39174.5-73.9179.262.4-148-8.1110.9H210 G211 H216 L217 G249 I250H210-R213 PolarHBondContact O-N 3.47Å; G211-R213 PolarHBondContact O-N 2.73Å; R213-H216 PolarHBondContact O-N 3.43Å; R213-L217 PolarHBondContact O-N 2.92Å; R213-G249 PolarHBondContact NH2-O 2.94Å; R213-I250 HydrophobicContact CB-CD1 3.81Å
214F95.1Very high91.6Very high0 Ų040.8 Ų40.80%021%0.211CC..Hα-helixtrans-67-47.2175.9178.6-120.3000111.8W182 V206 H210 G211 A212 H216 L217 V218 M233 M240 L245 I250 Y270W182-F214 HydrophobicContact CB-CE1 4.06Å; W182-F214 HydrophobicContact CB-CZ 4.03Å; W182-F214 AromaticContact CD1-CZ 3.92Å; W182-F214 AromaticContact CD2-CE1 3.83Å; W182-F214 HydrophobicContact CD2-CE1 3.83Å; W182-F214 AromaticContact CD2-CZ 3.47Å; W182-F214 HydrophobicContact CD2-CZ 3.47Å; W182-F214 VanDerWaalsContact CD2-CZ 3.47Å; W182-F214 AromaticContact CE2-CZ 3.79Å; W182-F214 AromaticContact CE3-CE1 3.81Å; W182-F214 HydrophobicContact CE3-CE1 3.81Å; W182-F214 AromaticContact CE3-CZ 3.88Å; W182-F214 HydrophobicContact CE3-CZ 3.88Å; W182-F214 AromaticContact CG-CE1 3.99Å; W182-F214 HydrophobicContact CG-CE1 3.99Å; W182-F214 AromaticContact CG-CZ 3.56Å; W182-F214 HydrophobicContact CG-CZ 3.56Å; W182-F214 HydrophobicContact CZ2-CZ 4.45Å; W182-F214 HydrophobicContact CZ3-CE1 4.49Å; V206-F214 HydrophobicContact CG1-CB 4.01Å; V206-F214 HydrophobicContact CG1-CG 4.36Å; V206-F214 HydrophobicContact CG2-CD1 4.43Å; V206-F214 HydrophobicContact CG2-CD2 4.38Å; V206-F214 HydrophobicContact CG2-CG 4.25Å; H210-F214 PolarHBondContact O-N 3.02Å; G211-F214 WeakPolarHBondContact O-CB 3.38Å; G211-F214 PolarHBondContact O-N 3.37Å; G211-F214 VanDerWaalsContact O-N 3.14Å; A212-F214 VanDerWaalsContact C-N 3.34Å; F214-H216 VanDerWaalsContact C-N 3.28Å; F214-H216 PolarHBondContact O-N 3.16Å; F214-L217 WeakPolarHBondContact O-CB 3.35Å; F214-L217 PolarHBondContact O-N 3.06Å; F214-L217 VanDerWaalsContact O-N 3.16Å; F214-V218 HydrophobicContact CD2-CG2 4.04Å; F214-V218 HydrophobicContact CE1-CG2 4.18Å; F214-V218 HydrophobicContact CE2-CG2 3.63Å; F214-V218 HydrophobicContact CG-CG2 4.47Å; F214-V218 HydrophobicContact CZ-CG2 3.7Å; F214-V218 VanDerWaalsContact O-CG2 3.31Å; F214-V218 WeakPolarHBondContact O-CG2 3.41Å; F214-V218 PolarHBondContact O-N 2.88Å; F214-M233 HydrophobicContact CD1-CE 4.31Å; F214-M233 HydrophobicContact CE1-CE 3.57Å; F214-M233 HydrophobicContact CZ-CE 4.1Å; F214-M240 HydrophobicContact CE2-SD 4.15Å; F214-L245 HydrophobicContact CE2-CD1 4.37Å; F214-L245 HydrophobicContact CE2-CD2 4.3Å; F214-L245 HydrophobicContact CE2-CG 4.27Å; F214-I250 HydrophobicContact CB-CG2 4.11Å; F214-I250 HydrophobicContact CD2-CG2 4.04Å; F214-I250 HydrophobicContact CG-CG2 4.42Å; F214-Y270 AromaticContact CD1-CD1 3.99Å; F214-Y270 HydrophobicContact CD1-CD1 3.99Å; F214-Y270 AromaticContact CD1-CD2 3.8Å; F214-Y270 HydrophobicContact CD1-CD2 3.8Å; F214-Y270 HydrophobicContact CD1-CE2 4.39Å; F214-Y270 AromaticContact CD1-CG 3.56Å; F214-Y270 HydrophobicContact CD1-CG 3.56Å; F214-Y270 AromaticContact CE1-CD1 3.81Å; F214-Y270 HydrophobicContact CE1-CD1 3.81Å; F214-Y270 HydrophobicContact CE1-CD2 4.45Å; F214-Y270 AromaticContact CE1-CG 3.79Å; F214-Y270 HydrophobicContact CE1-CG 3.79Å
215E93.1Very high91.1Very high36 Ų3641.7 Ų41.717%0.16822%0.217CC..Hα-helixtrans-53.2-46.2172.8-75.5179.4175.500111.7G211 V218 A219 Y268 Y270G211-E215 WeakPolarHBondContact O-CG 3.39Å; G211-E215 PolarHBondContact O-N 3.2Å; E215-V218 PolarHBondContact O-N 3.31Å; E215-A219 WeakPolarHBondContact O-CB 3.2Å; E215-A219 PolarHBondContact O-N 2.96Å; E215-Y268 PolarHBondContact OE1-OH 3.02Å; E215-Y270 HydrophobicContact CG-CE2 3.56Å; E215-Y270 WeakPolarHBondContact CG-OH 3.4Å; E215-Y270 PolarHBondContact OE1-OH 2.89Å
216H88.4Confident90.4Very high73 Ų7342.7 Ų42.734%0.33823%0.225SC..Hα-helixtrans-62.5-45.2178-178.371.7000112.2A212 R213 F214 V218 A219 T220 S443A212-H216 WeakPolarHBondContact O-CB 3.22Å; A212-H216 PolarHBondContact O-N 2.68Å; R213-H216 PolarHBondContact O-N 3.43Å; F214-H216 VanDerWaalsContact C-N 3.28Å; F214-H216 PolarHBondContact O-N 3.16Å; H216-V218 VanDerWaalsContact C-N 3.34Å; H216-V218 PolarHBondContact O-N 3.39Å; H216-A219 PolarHBondContact O-N 2.97Å; H216-T220 PolarHBondContact O-N 2.84Å; H216-T220 PolarHBondContact O-OG1 3.31Å; H216-T220 VanDerWaalsContact O-OG1 3.09Å; H216-S443 VanDerWaalsContact CG-CB 3.47Å
217L93.2Very high89.8Confident15 Ų1546.1 Ų46.18%0.07924%0.238CC..Hα-helixtrans-56.6-49.1174.1172.662.6000111R213 F214 A219 T220 M221 M240 H248 I250R213-L217 PolarHBondContact O-N 2.92Å; F214-L217 WeakPolarHBondContact O-CB 3.35Å; F214-L217 PolarHBondContact O-N 3.06Å; F214-L217 VanDerWaalsContact O-N 3.16Å; L217-A219 VanDerWaalsContact C-N 3.31Å; L217-A219 PolarHBondContact O-N 3.33Å; L217-T220 PolarHBondContact O-N 3.09Å; L217-M221 HydrophobicContact CD1-CE 3.7Å; L217-M221 HydrophobicContact CD1-CG 4.16Å; L217-M221 VanDerWaalsContact O-CG 3.29Å; L217-M221 WeakPolarHBondContact O-CG 3.14Å; L217-M221 PolarHBondContact O-N 2.9Å; L217-M240 HydrophobicContact CD2-SD 4Å; L217-M240 HydrophobicContact CG-CE 4.47Å; L217-M240 HydrophobicContact CG-SD 4.31Å; L217-H248 HydrophobicContact CD1-CB 3.77Å; L217-H248 VanDerWaalsContact CD1-CD2 3.41Å; L217-H248 WeakPolarHBondContact CD1-CD2 3.4Å; L217-H248 VanDerWaalsContact CD1-CG 3.45Å; L217-H248 HydrophobicContact CD2-CB 3.71Å; L217-H248 HydrophobicContact CG-CB 4.38Å; L217-I250 HydrophobicContact CD2-CG1 3.61Å
218V93.1Very high89.3Confident0 Ų047.2 Ų47.20%025%0.248CC..Hα-helixtrans-65-38.5-179.1-171.80000110.8F214 E215 H216 T220 M221 F222 F232 M233 I238 M240F214-V218 HydrophobicContact CD2-CG2 4.04Å; F214-V218 HydrophobicContact CE1-CG2 4.18Å; F214-V218 HydrophobicContact CE2-CG2 3.63Å; F214-V218 HydrophobicContact CG-CG2 4.47Å; F214-V218 HydrophobicContact CZ-CG2 3.7Å; F214-V218 VanDerWaalsContact O-CG2 3.31Å; F214-V218 WeakPolarHBondContact O-CG2 3.41Å; F214-V218 PolarHBondContact O-N 2.88Å; E215-V218 PolarHBondContact O-N 3.31Å; H216-V218 VanDerWaalsContact C-N 3.34Å; H216-V218 PolarHBondContact O-N 3.39Å; V218-T220 VanDerWaalsContact C-N 3.3Å; V218-T220 PolarHBondContact O-N 3.38Å; V218-M221 PolarHBondContact O-N 2.73Å; V218-M221 VanDerWaalsContact O-N 3.13Å; V218-F222 HydrophobicContact CG1-CD2 3.67Å; V218-F222 HydrophobicContact CG1-CE2 4.23Å; V218-F222 PolarHBondContact O-N 3.01Å; V218-F232 HydrophobicContact CB-CE2 4.28Å; V218-F232 HydrophobicContact CB-CZ 4.13Å; V218-F232 HydrophobicContact CG1-CE2 3.65Å; V218-F232 HydrophobicContact CG1-CZ 4Å; V218-M233 HydrophobicContact CB-SD 3.95Å; V218-M233 HydrophobicContact CG1-CE 4.47Å; V218-M233 HydrophobicContact CG1-SD 3.61Å; V218-M233 HydrophobicContact CG2-CE 4.02Å; V218-M233 HydrophobicContact CG2-SD 4.11Å; V218-I238 HydrophobicContact CG1-CB 4.38Å; V218-I238 HydrophobicContact CG1-CG1 4.23Å; V218-I238 HydrophobicContact CG1-CG2 3.75Å; V218-M240 HydrophobicContact CB-CE 4.17Å; V218-M240 HydrophobicContact CG1-CE 4.18Å; V218-M240 HydrophobicContact CG2-CE 3.72Å; V218-M240 HydrophobicContact CG2-SD 4.27Å
219A90.1Very high89Confident27 Ų2746.3 Ų46.322%0.22324%0.242CC..Hα-helixtrans-61.1-39.5176.700000112.1E215 H216 L217 F222 P223 A226 F232E215-A219 WeakPolarHBondContact O-CB 3.2Å; E215-A219 PolarHBondContact O-N 2.96Å; H216-A219 PolarHBondContact O-N 2.97Å; L217-A219 VanDerWaalsContact C-N 3.31Å; L217-A219 PolarHBondContact O-N 3.33Å; A219-F222 CarbonylContact O-C 3.59Å; A219-P223 WeakPolarHBondContact O-CA 3.45Å; A219-A226 HydrophobicContact CB-CB 3.63Å; A219-F232 HydrophobicContact CB-CE1 4.08Å; A219-F232 HydrophobicContact CB-CZ 4.09Å
220T88.6Confident88.7Confident89 Ų8941.3 Ų41.355%0.54622%0.224SC..Hα-helixtrans-66.8-36.3174.5-57.10000112.3H216 L217 V218H216-T220 PolarHBondContact O-N 2.84Å; H216-T220 PolarHBondContact O-OG1 3.31Å; H216-T220 VanDerWaalsContact O-OG1 3.09Å; L217-T220 PolarHBondContact O-N 3.09Å; V218-T220 VanDerWaalsContact C-N 3.3Å; V218-T220 PolarHBondContact O-N 3.38Å
221M89.9Confident88.6Confident54 Ų5440 Ų4027%0.26622%0.22SC..Hα-helixtrans-79.5-26.8-180-64.5-63.9177.800113.4L75 L217 V218 P223 M240 I244 H248L75-M221 HydrophobicContact CD1-CB 4.48Å; L75-M221 HydrophobicContact CD1-SD 3.9Å; L75-M221 HydrophobicContact CD2-CB 4.06Å; L75-M221 HydrophobicContact CD2-CG 4.11Å; L75-M221 HydrophobicContact CD2-SD 4.43Å; L217-M221 HydrophobicContact CD1-CE 3.7Å; L217-M221 HydrophobicContact CD1-CG 4.16Å; L217-M221 VanDerWaalsContact O-CG 3.29Å; L217-M221 WeakPolarHBondContact O-CG 3.14Å; L217-M221 PolarHBondContact O-N 2.9Å; V218-M221 PolarHBondContact O-N 2.73Å; V218-M221 VanDerWaalsContact O-N 3.13Å; M221-P223 VanDerWaalsContact C-CD 3.44Å; M221-M240 HydrophobicContact CB-CE 3.93Å; M221-M240 HydrophobicContact CG-CE 3.88Å; M221-I244 HydrophobicContact CE-CG2 4.44Å; M221-H248 WeakPolarHBondContact CE-CE1 3.41Å; M221-H248 WeakPolarHBondContact CE-NE2 3.46Å
222F89Confident88.6Confident24 Ų2440.5 Ų40.511%0.10522%0.222CC..SBendtrans-128.261.3179.8-61.9-91.5000110.9L75 Q77 V218 A219 H224 T225 A226 I238 M240L75-F222 HydrophobicContact CB-CZ 4.11Å; L75-F222 HydrophobicContact CD2-CE2 4.06Å; L75-F222 HydrophobicContact CD2-CZ 4.37Å; Q77-F222 HydrophobicContact CB-CE1 4.45Å; V218-F222 HydrophobicContact CG1-CD2 3.67Å; V218-F222 HydrophobicContact CG1-CE2 4.23Å; V218-F222 PolarHBondContact O-N 3.01Å; A219-F222 CarbonylContact O-C 3.59Å; F222-H224 VanDerWaalsContact C-N 3.29Å; F222-H224 PolarHBondContact O-N 3.16Å; F222-T225 PolarHBondContact O-N 3.49Å; F222-T225 VanDerWaalsContact O-N 3.09Å; F222-A226 PolarHBondContact O-N 3.06Å; F222-I238 HydrophobicContact CB-CD1 4.35Å; F222-I238 HydrophobicContact CD1-CD1 3.67Å; F222-I238 HydrophobicContact CD2-CD1 4.04Å; F222-I238 HydrophobicContact CD2-CG2 3.98Å; F222-I238 HydrophobicContact CE1-CD1 3.85Å; F222-I238 HydrophobicContact CE2-CD1 4.22Å; F222-I238 HydrophobicContact CE2-CG2 3.49Å; F222-I238 VanDerWaalsContact CE2-CG2 3.49Å; F222-I238 HydrophobicContact CG-CD1 3.76Å; F222-I238 HydrophobicContact CZ-CD1 4.13Å; F222-I238 HydrophobicContact CZ-CG2 3.87Å; F222-M240 HydrophobicContact CE2-CE 4.04Å
223P83.9Confident89Confident48 Ų4838.8 Ų38.831%0.31221%0.207SC..Hα-helixtrans-62.8-36.1-169.625-34.7000112.4A219 M221 A226 R227A219-P223 WeakPolarHBondContact O-CA 3.45Å; M221-P223 VanDerWaalsContact C-CD 3.44Å; P223-A226 PolarHBondContact O-N 3.15Å; P223-R227 WeakPolarHBondContact O-CB 3.49Å; P223-R227 WeakPolarHBondContact O-CG 3.22Å; P223-R227 PolarHBondContact O-N 2.81Å
224H84.6Confident89.2Confident108 Ų10834.9 Ų34.950%0.519%0.192SC..Hα-helixtrans-60.1-48.7175.1-62.1-78.8000111.9F222 A226 R227 A228 E611F222-H224 VanDerWaalsContact C-N 3.29Å; F222-H224 PolarHBondContact O-N 3.16Å; H224-A226 VanDerWaalsContact C-N 3.34Å; H224-A226 PolarHBondContact O-N 3.4Å; H224-R227 PolarHBondContact CE1-NH2 2.84Å; H224-R227 VanDerWaalsContact CE1-NH2 3.32Å; H224-R227 PolarHBondContact ND1-NH2 3.21Å; H224-R227 PolarHBondContact O-N 3.48Å; H224-A228 WeakPolarHBondContact O-CB 3.49Å; H224-A228 PolarHBondContact O-N 3.48Å; H224-E611 VanDerWaalsContact CA-OE2 3.31Å; H224-E611 WeakPolarHBondContact CA-OE2 3.28Å; H224-E611 IonicContact CE1-OE1 2.65Å; H224-E611 IonicContact CE1-OE2 3.1Å; H224-E611 IonicContact CG-OE1 3.88Å; H224-E611 IonicContact CG-OE2 2.64Å; H224-E611 IonicContact ND1-OE1 3.43Å; H224-E611 PolarHBondContact ND1-OE1 3.2Å; H224-E611 IonicContact ND1-OE2 3.49Å; H224-E611 PolarHBondContact ND1-OE2 2.93Å
225T87.3Confident89.1Confident21 Ų2138.2 Ų38.213%0.12921%0.208CC..Hα-helixtrans-65.5-38.5179.6-50.50000111.5Q77 F222 A228 C229 F232 I238Q77-T225 PolarHBondContact NE2-OG1 3.49Å; F222-T225 PolarHBondContact O-N 3.49Å; F222-T225 VanDerWaalsContact O-N 3.09Å; T225-A228 PolarHBondContact O-N 3.22Å; T225-C229 PolarHBondContact O-N 3.24Å; T225-F232 HydrophobicContact CG2-CB 3.89Å; T225-F232 HydrophobicContact CG2-CD2 3.76Å; T225-F232 HydrophobicContact CG2-CG 4.14Å; T225-F232 VanDerWaalsContact O-CB 3.28Å; T225-F232 WeakPolarHBondContact O-CB 3.28Å; T225-I238 HydrophobicContact CG2-CD1 4.49Å
226A83.6Confident89.2Confident21 Ų2140.1 Ų40.117%0.17422%0.216CC..Hα-helixtrans-73.1-36.1178.900000114A219 F222 P223 H224 A228 C229 F232A219-A226 HydrophobicContact CB-CB 3.63Å; F222-A226 PolarHBondContact O-N 3.06Å; P223-A226 PolarHBondContact O-N 3.15Å; H224-A226 VanDerWaalsContact C-N 3.34Å; H224-A226 PolarHBondContact O-N 3.4Å; A226-A228 VanDerWaalsContact C-N 3.27Å; A226-C229 CarbonylContact O-C 3.21Å; A226-C229 VanDerWaalsContact O-O 3.08Å; A226-F232 VanDerWaalsContact CA-CD1 3.45Å; A226-F232 HydrophobicContact CB-CD1 3.73Å; A226-F232 HydrophobicContact CB-CE1 3.5Å; A226-F232 VanDerWaalsContact CB-CE1 3.5Å; A226-F232 HydrophobicContact CB-CG 4.37Å; A226-F232 HydrophobicContact CB-CZ 3.98Å
227R84.2Confident89.6Confident71 Ų7138.1 Ų38.127%0.26821%0.209SC..Hα-helixtrans-66.4-32.9171-76-173.6-63.8-114.5-2.4112P223 H224 D610 E611P223-R227 WeakPolarHBondContact O-CB 3.49Å; P223-R227 WeakPolarHBondContact O-CG 3.22Å; P223-R227 PolarHBondContact O-N 2.81Å; H224-R227 PolarHBondContact CE1-NH2 2.84Å; H224-R227 VanDerWaalsContact CE1-NH2 3.32Å; H224-R227 PolarHBondContact ND1-NH2 3.21Å; H224-R227 PolarHBondContact O-N 3.48Å; R227-D610 IonicContact CZ-OD1 2.72Å; R227-D610 IonicContact NH1-OD1 3.25Å; R227-D610 PolarHBondContact NH1-OD1 3.47Å; R227-E611 IonicContact CZ-OE2 3.8Å; R227-E611 IonicContact NE-OE2 3.43Å; R227-E611 PolarHBondContact NE-OE2 2.78Å; R227-E611 IonicContact NH2-OE2 2.79Å; R227-E611 PolarHBondContact NH2-OE2 2.72Å
228A84.6Confident89.8Confident36 Ų3637.5 Ų37.530%0.29821%0.205SC..Hα-helixtrans-68-35-179.200000113.1H224 T225 A226 C303 V614H224-A228 WeakPolarHBondContact O-CB 3.49Å; H224-A228 PolarHBondContact O-N 3.48Å; T225-A228 PolarHBondContact O-N 3.22Å; A226-A228 VanDerWaalsContact C-N 3.27Å; A228-C303 PolarHBondContact O-SG 3.24Å; A228-V614 HydrophobicContact CB-CG2 4.36Å; A228-V614 WeakPolarHBondContact O-CB 3.41Å; A228-V614 WeakPolarHBondContact O-CG2 3.2Å
229C85.8Confident90Very high3 Ų337.6 Ų37.62%0.0221%0.206CC..  trans-149.5125.3-178-177.70000110.2T225 A226 A231 F232 H235 C303T225-C229 PolarHBondContact O-N 3.24Å; A226-C229 CarbonylContact O-C 3.21Å; A226-C229 VanDerWaalsContact O-O 3.08Å; C229-A231 PolarHBondContact O-N 2.86Å; C229-A231 VanDerWaalsContact O-N 3.11Å; C229-A231 VanDerWaalsContact SG-C 3.54Å; C229-A231 PolarHBondContact SG-N 2.8Å; C229-A231 VanDerWaalsContact SG-N 3.42Å; C229-F232 HydrophobicContact CB-CB 3.93Å; C229-F232 VanDerWaalsContact O-CB 3.3Å; C229-F232 WeakPolarHBondContact O-CB 3.43Å; C229-F232 WeakPolarHBondContact O-CD1 3.35Å; C229-F232 PolarHBondContact O-N 3.37Å; C229-H235 VanDerWaalsContact CB-CE1 3.4Å; C229-H235 WeakPolarHBondContact CB-CE1 3.35Å; C229-H235 PolarHBondContact SG-NE2 2.78Å; C229-H235 VanDerWaalsContact SG-NE2 3.35Å; C229-C303 WeakPolarHBondContact CB-SG 3.39Å; C229-C303 VanDerWaalsContact SG-SG 3.65Å
230S85.2Confident90.3Very high54 Ų5436.3 Ų36.338%0.37820%0.196SC..THydrogen-bonded Turntrans-62.2-20.4175.8580000113.4N299S230-N299 PolarHBondContact O-ND2 3Å
231A90.1Very high90.7Very high7 Ų732.1 Ų32.16%0.05817%0.17CC..THydrogen-bonded Turntrans-116.835.2176.100000111.5C229 M233 R234 N299 L300C229-A231 PolarHBondContact O-N 2.86Å; C229-A231 VanDerWaalsContact O-N 3.11Å; C229-A231 VanDerWaalsContact SG-C 3.54Å; C229-A231 PolarHBondContact SG-N 2.8Å; C229-A231 VanDerWaalsContact SG-N 3.42Å; A231-M233 PolarHBondContact O-N 3.04Å; A231-R234 HydrophobicContact CB-CG 4.26Å; A231-R234 VanDerWaalsContact O-CB 3.3Å; A231-R234 WeakPolarHBondContact O-CB 3.18Å; A231-R234 PolarHBondContact O-N 3.25Å; A231-N299 WeakPolarHBondContact CB-O 3.38Å; A231-L300 WeakPolarHBondContact CB-O 3.47Å
232F93Very high91Very high10 Ų1029.7 Ų29.74%0.04416%0.158CC..G310 helixtrans-55.7-25.9-174.469.6-83.1000114.9V218 A219 T225 A226 C229 R234 H235 I238V218-F232 HydrophobicContact CB-CE2 4.28Å; V218-F232 HydrophobicContact CB-CZ 4.13Å; V218-F232 HydrophobicContact CG1-CE2 3.65Å; V218-F232 HydrophobicContact CG1-CZ 4Å; A219-F232 HydrophobicContact CB-CE1 4.08Å; A219-F232 HydrophobicContact CB-CZ 4.09Å; T225-F232 HydrophobicContact CG2-CB 3.89Å; T225-F232 HydrophobicContact CG2-CD2 3.76Å; T225-F232 HydrophobicContact CG2-CG 4.14Å; T225-F232 VanDerWaalsContact O-CB 3.28Å; T225-F232 WeakPolarHBondContact O-CB 3.28Å; A226-F232 VanDerWaalsContact CA-CD1 3.45Å; A226-F232 HydrophobicContact CB-CD1 3.73Å; A226-F232 HydrophobicContact CB-CE1 3.5Å; A226-F232 VanDerWaalsContact CB-CE1 3.5Å; A226-F232 HydrophobicContact CB-CG 4.37Å; A226-F232 HydrophobicContact CB-CZ 3.98Å; C229-F232 HydrophobicContact CB-CB 3.93Å; C229-F232 VanDerWaalsContact O-CB 3.3Å; C229-F232 WeakPolarHBondContact O-CB 3.43Å; C229-F232 WeakPolarHBondContact O-CD1 3.35Å; C229-F232 PolarHBondContact O-N 3.37Å; F232-R234 PolarHBondContact O-N 2.94Å; F232-H235 VanDerWaalsContact O-CB 3.24Å; F232-H235 WeakPolarHBondContact O-CB 3.43Å; F232-H235 VanDerWaalsContact O-CG 3.23Å; F232-H235 PolarHBondContact O-N 3.46Å; F232-I238 HydrophobicContact CE2-CG1 4.46Å
233M95.1Very high91.2Very high4 Ų432.4 Ų32.42%0.0217%0.171CC..G310 helixtrans-60.6-26.6174.1-67.5-64.2-75.400112.4W182 F214 V218 A231 H235 K236 I238 Y270W182-M233 HydrophobicContact CB-CE 3.61Å; F214-M233 HydrophobicContact CD1-CE 4.31Å; F214-M233 HydrophobicContact CE1-CE 3.57Å; F214-M233 HydrophobicContact CZ-CE 4.1Å; V218-M233 HydrophobicContact CB-SD 3.95Å; V218-M233 HydrophobicContact CG1-CE 4.47Å; V218-M233 HydrophobicContact CG1-SD 3.61Å; V218-M233 HydrophobicContact CG2-CE 4.02Å; V218-M233 HydrophobicContact CG2-SD 4.11Å; A231-M233 PolarHBondContact O-N 3.04Å; M233-H235 PolarHBondContact O-N 3.2Å; M233-K236 PolarHBondContact O-N 3.04Å; M233-I238 HydrophobicContact SD-CB 4.49Å; M233-I238 HydrophobicContact SD-CG1 4.39Å; M233-Y270 HydrophobicContact CB-CE1 3.77Å; M233-Y270 WeakPolarHBondContact CB-OH 3.49Å; M233-Y270 HydrophobicContact CE-CD1 3.88Å; M233-Y270 HydrophobicContact CE-CE1 3.54Å; M233-Y270 HydrophobicContact CG-CE1 4.07Å
234R94.4Very high91.8Very high31 Ų3130.6 Ų30.612%0.11716%0.159CC..G310 helixtrans-68.8-13174.2-62-157.5-174.9-81.8-7.2113.7T184 E185 D188 A231 F232 K236 N299 C301T184-R234 PolarHBondContact OG1-NH1 3.23Å; E185-R234 PolarHBondContact O-NH1 3.27Å; D188-R234 VanDerWaalsContact CG-NH2 3.29Å; D188-R234 IonicContact OD1-CZ 2.86Å; D188-R234 IonicContact OD1-NH1 3.43Å; D188-R234 PolarHBondContact OD1-NH1 3.23Å; D188-R234 IonicContact OD1-NH2 3.52Å; D188-R234 PolarHBondContact OD1-NH2 3.35Å; D188-R234 IonicContact OD2-NH2 2.8Å; D188-R234 PolarHBondContact OD2-NH2 3.38Å; A231-R234 HydrophobicContact CB-CG 4.26Å; A231-R234 VanDerWaalsContact O-CB 3.3Å; A231-R234 WeakPolarHBondContact O-CB 3.18Å; A231-R234 PolarHBondContact O-N 3.25Å; F232-R234 PolarHBondContact O-N 2.94Å; R234-K236 WeakPolarHBondContact O-CG 3.48Å; R234-K236 PolarHBondContact O-N 3.26Å; R234-N299 VanDerWaalsContact CZ-O 3.3Å; R234-N299 PolarHBondContact NE-O 3.3Å; R234-N299 PolarHBondContact NH2-O 3Å; R234-C301 HydrophobicContact CB-CB 4.41Å
235H94.1Very high92.3Very high70 Ų7025.5 Ų25.532%0.32414%0.135SC..G310 helixtrans-71.2-10.8174.7-55.3169.4000112C229 F232 M233 T237 C301C229-H235 VanDerWaalsContact CB-CE1 3.4Å; C229-H235 WeakPolarHBondContact CB-CE1 3.35Å; C229-H235 PolarHBondContact SG-NE2 2.78Å; C229-H235 VanDerWaalsContact SG-NE2 3.35Å; F232-H235 VanDerWaalsContact O-CB 3.24Å; F232-H235 WeakPolarHBondContact O-CB 3.43Å; F232-H235 VanDerWaalsContact O-CG 3.23Å; F232-H235 PolarHBondContact O-N 3.46Å; M233-H235 PolarHBondContact O-N 3.2Å; H235-T237 HydrophobicContact CB-CG2 4.1Å; H235-T237 WeakPolarHBondContact O-CG2 3.23Å; H235-T237 PolarHBondContact O-N 2.83Å; H235-C301 PolarHBondContact NE2-SG 3.37Å
236K95.7Very high92.7Very high77 Ų7731.9 Ų31.934%0.33516%0.157SC..  trans52.742.5179.3-46.2-171.5-173.3-175.60111.9A181 H183 M233 R234A181-K236 HydrophobicContact CB-CB 4.36Å; A181-K236 WeakPolarHBondContact CB-O 3.21Å; H183-K236 HydrophobicContact CB-CD 4.42Å; H183-K236 HydrophobicContact CB-CG 3.9Å; H183-K236 VanDerWaalsContact CD2-CE 3.47Å; H183-K236 WeakPolarHBondContact CD2-CE 3.48Å; M233-K236 PolarHBondContact O-N 3.04Å; R234-K236 WeakPolarHBondContact O-CG 3.48Å; R234-K236 PolarHBondContact O-N 3.26Å
237T96Very high93.1Very high31 Ų3137.7 Ų37.719%0.1918%0.18CC..  trans-111.1-17.4-179.658.20000113.8Q77 L78 H235Q77-T237 CarbonylContact C-O 3.57Å; Q77-T237 WeakPolarHBondContact CA-O 3.48Å; L78-T237 WeakPolarHBondContact CB-O 3.34Å; L78-T237 PolarHBondContact N-O 2.86Å; L78-T237 VanDerWaalsContact O-CB 3.32Å; L78-T237 WeakPolarHBondContact O-CB 3.23Å; L78-T237 WeakPolarHBondContact O-CG2 3.17Å; H235-T237 HydrophobicContact CB-CG2 4.1Å; H235-T237 WeakPolarHBondContact O-CG2 3.23Å; H235-T237 PolarHBondContact O-N 2.83Å
238I97.5Very high93.5Very high1 Ų137.9 Ų37.91%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-91.5122.6-172.7-55.2-57.9000111.8Q77 A181 W182 V218 F222 T225 F232 M233Q77-I238 HydrophobicContact CG-CD1 4.2Å; A181-I238 WeakPolarHBondContact CB-O 3.15Å; W182-I238 PolarHBondContact N-O 3.43Å; V218-I238 HydrophobicContact CG1-CB 4.38Å; V218-I238 HydrophobicContact CG1-CG1 4.23Å; V218-I238 HydrophobicContact CG1-CG2 3.75Å; F222-I238 HydrophobicContact CB-CD1 4.35Å; F222-I238 HydrophobicContact CD1-CD1 3.67Å; F222-I238 HydrophobicContact CD2-CD1 4.04Å; F222-I238 HydrophobicContact CD2-CG2 3.98Å; F222-I238 HydrophobicContact CE1-CD1 3.85Å; F222-I238 HydrophobicContact CE2-CD1 4.22Å; F222-I238 HydrophobicContact CE2-CG2 3.49Å; F222-I238 VanDerWaalsContact CE2-CG2 3.49Å; F222-I238 HydrophobicContact CG-CD1 3.76Å; F222-I238 HydrophobicContact CZ-CD1 4.13Å; F222-I238 HydrophobicContact CZ-CG2 3.87Å; T225-I238 HydrophobicContact CG2-CD1 4.49Å; F232-I238 HydrophobicContact CE2-CG1 4.46Å; M233-I238 HydrophobicContact SD-CB 4.49Å; M233-I238 HydrophobicContact SD-CG1 4.39Å
239A97.1Very high93.9Very high3 Ų338.1 Ų38.13%0.02519%0.19CC..EExtended strand (participates in β ladder)trans-112.6110.2167.800000109.3Y76 L78 W117 L120Y76-A239 PolarHBondContact N-O 3.19Å; Y76-A239 PolarHBondContact O-N 2.99Å; L78-A239 HydrophobicContact CD1-CB 3.78Å; L78-A239 HydrophobicContact CG-CB 4.4Å; W117-A239 HydrophobicContact CH2-CB 4.44Å; W117-A239 HydrophobicContact CZ3-CB 4.34Å; L120-A239 HydrophobicContact CD2-CB 4.16Å
240M97Very high94.3Very high0 Ų038.3 Ų38.30%019%0.191CC..EExtended strand (participates in β ladder)trans-115.3125.3179.9-175.9178.8-71.200109.4G74 L75 W117 W182 F214 L217 V218 M221 F222 I244 L245G74-M240 CarbonylContact O-C 3.58Å; G74-M240 VanDerWaalsContact O-CA 3.32Å; G74-M240 WeakPolarHBondContact O-CA 3.29Å; L75-M240 HydrophobicContact CD2-CE 3.7Å; L75-M240 HydrophobicContact CD2-CG 4Å; L75-M240 HydrophobicContact CD2-SD 4.45Å; W117-M240 WeakPolarHBondContact CH2-O 3.44Å; W182-M240 PolarHBondContact NE1-O 2.92Å; F214-M240 HydrophobicContact CE2-SD 4.15Å; L217-M240 HydrophobicContact CD2-SD 4Å; L217-M240 HydrophobicContact CG-CE 4.47Å; L217-M240 HydrophobicContact CG-SD 4.31Å; V218-M240 HydrophobicContact CB-CE 4.17Å; V218-M240 HydrophobicContact CG1-CE 4.18Å; V218-M240 HydrophobicContact CG2-CE 3.72Å; V218-M240 HydrophobicContact CG2-SD 4.27Å; M221-M240 HydrophobicContact CB-CE 3.93Å; M221-M240 HydrophobicContact CG-CE 3.88Å; F222-M240 HydrophobicContact CE2-CE 4.04Å; M240-I244 HydrophobicContact CE-CG2 4.48Å; M240-I244 HydrophobicContact CG-CB 3.91Å; M240-I244 HydrophobicContact CG-CG1 4.38Å; M240-I244 HydrophobicContact CG-CG2 3.89Å; M240-I244 HydrophobicContact SD-CB 4.3Å; M240-I244 HydrophobicContact SD-CG2 3.71Å; M240-L245 HydrophobicContact CB-CD1 4.28Å; M240-L245 HydrophobicContact CG-CD1 3.67Å; M240-L245 HydrophobicContact SD-CD1 3.84Å
241A96.6Very high94.7Very high1 Ų137.9 Ų37.91%0.00819%0.187CC..  trans-75148.3-173.700000112.5G74 W117 H243 I244 L245G74-A241 VanDerWaalsContact CA-CB 3.42Å; G74-A241 PolarHBondContact O-N 3.36Å; W117-A241 HydrophobicContact CD2-CB 3.72Å; W117-A241 HydrophobicContact CE3-CB 3.63Å; W117-A241 HydrophobicContact CG-CB 4.34Å; W117-A241 HydrophobicContact CH2-CB 4.17Å; W117-A241 HydrophobicContact CZ2-CB 4.27Å; W117-A241 HydrophobicContact CZ3-CB 3.85Å; A241-H243 PolarHBondContact O-N 3.29Å; A241-H243 VanDerWaalsContact O-N 3.1Å; A241-I244 WeakPolarHBondContact O-CB 3.48Å; A241-I244 PolarHBondContact O-N 3.29Å; A241-L245 VanDerWaalsContact O-CD1 3.27Å; A241-L245 WeakPolarHBondContact O-CD1 3.47Å
242P95.6Very high95Very high3 Ų338.7 Ų38.72%0.01919%0.189CC..Hα-helixtrans-58.1-28.3-176.1-28.936.6000115.1E113 W117 Y204 I244 L245 R246 Y252E113-P242 WeakPolarHBondContact OE1-CG 3.32Å; W117-P242 VanDerWaalsContact CZ2-CD 3.5Å; W117-P242 HydrophobicContact CZ2-CG 4.35Å; Y204-P242 HydrophobicContact CD1-CG 3.74Å; Y204-P242 HydrophobicContact CE1-CB 4.28Å; Y204-P242 HydrophobicContact CE1-CG 3.2Å; P242-I244 VanDerWaalsContact C-N 3.32Å; P242-I244 PolarHBondContact O-N 3.22Å; P242-L245 PolarHBondContact O-N 3.47Å; P242-R246 WeakPolarHBondContact O-CG 3.04Å; P242-R246 PolarHBondContact O-N 3.41Å; P242-Y252 HydrophobicContact CB-CE1 4.2Å; P242-Y252 HydrophobicContact CB-CE2 3.83Å; P242-Y252 VanDerWaalsContact CB-OH 3.28Å; P242-Y252 WeakPolarHBondContact CB-OH 3.37Å; P242-Y252 HydrophobicContact CG-CE2 4.5Å
243H94.5Very high95.1Very high80 Ų8039 Ų3937%0.3719%0.192SC..Hα-helixtrans-66.5-34.2176.373.6-90000112.3A241 R246 E247A241-H243 PolarHBondContact O-N 3.29Å; A241-H243 VanDerWaalsContact O-N 3.1Å; H243-R246 PolarHBondContact O-N 3.29Å; H243-E247 WeakPolarHBondContact O-CB 3.28Å; H243-E247 PolarHBondContact O-N 3.33Å
244I96.2Very high95.2Very high11 Ų1141.6 Ų41.66%0.05621%0.208CC..Hα-helixtrans-64.6-42.7174.3-56.2-62.6000110L75 M221 M240 A241 P242 E247 H248L75-I244 HydrophobicContact CD2-CG1 4.28Å; L75-I244 HydrophobicContact CD2-CG2 4.16Å; L75-I244 HydrophobicContact CG-CD1 4.46Å; L75-I244 HydrophobicContact CG-CG1 4.46Å; M221-I244 HydrophobicContact CE-CG2 4.44Å; M240-I244 HydrophobicContact CE-CG2 4.48Å; M240-I244 HydrophobicContact CG-CB 3.91Å; M240-I244 HydrophobicContact CG-CG1 4.38Å; M240-I244 HydrophobicContact CG-CG2 3.89Å; M240-I244 HydrophobicContact SD-CB 4.3Å; M240-I244 HydrophobicContact SD-CG2 3.71Å; A241-I244 WeakPolarHBondContact O-CB 3.48Å; A241-I244 PolarHBondContact O-N 3.29Å; P242-I244 VanDerWaalsContact C-N 3.32Å; P242-I244 PolarHBondContact O-N 3.22Å; I244-E247 PolarHBondContact O-N 3.24Å; I244-H248 PolarHBondContact O-N 3.26Å; I244-H248 VanDerWaalsContact O-N 3.11Å; I244-H248 PolarHBondContact O-ND1 3.18Å
245L95.7Very high95.3Very high0 Ų041 Ų410%021%0.208CC..Hα-helixtrans-62.5-43.8177.2-76.570.9000111W182 V206 F214 M240 A241 P242 H248 G249 I250 Y252W182-L245 HydrophobicContact CH2-CD2 4.04Å; W182-L245 HydrophobicContact CZ2-CD2 3.72Å; V206-L245 HydrophobicContact CG2-CD2 3.95Å; F214-L245 HydrophobicContact CE2-CD1 4.37Å; F214-L245 HydrophobicContact CE2-CD2 4.3Å; F214-L245 HydrophobicContact CE2-CG 4.27Å; M240-L245 HydrophobicContact CB-CD1 4.28Å; M240-L245 HydrophobicContact CG-CD1 3.67Å; M240-L245 HydrophobicContact SD-CD1 3.84Å; A241-L245 VanDerWaalsContact O-CD1 3.27Å; A241-L245 WeakPolarHBondContact O-CD1 3.47Å; P242-L245 PolarHBondContact O-N 3.47Å; L245-H248 PolarHBondContact O-N 3.2Å; L245-G249 PolarHBondContact O-N 3.03Å; L245-G249 VanDerWaalsContact O-N 3.11Å; L245-I250 HydrophobicContact CB-CB 4.22Å; L245-I250 HydrophobicContact CD2-CG2 4.4Å; L245-I250 HydrophobicContact CG-CB 4.39Å; L245-I250 HydrophobicContact CG-CG2 4.44Å; L245-I250 PolarHBondContact O-N 3.07Å; L245-Y252 HydrophobicContact CB-CD1 3.74Å; L245-Y252 HydrophobicContact CB-CE1 3.94Å; L245-Y252 HydrophobicContact CD2-CD1 3.77Å; L245-Y252 HydrophobicContact CD2-CG 3.99Å; L245-Y252 HydrophobicContact CG-CD1 4.42Å
246R94.6Very high95.5Very high155 Ų15539.2 Ų39.259%0.58520%0.201SC*.Hα-helixtrans-61.7-46.3176.3-71-171.2-68.5-117.94.4112P242 H243 H248 G249 Y252P242-R246 WeakPolarHBondContact O-CG 3.04Å; P242-R246 PolarHBondContact O-N 3.41Å; H243-R246 PolarHBondContact O-N 3.29Å; R246-H248 PolarHBondContact O-N 3.15Å; R246-G249 PolarHBondContact O-N 3.12Å; R246-Y252 HydrophobicContact CG-CE1 3.7Å; R246-Y252 PolarHBondContact NH1-OH 3.43Å
247E93.1Very high95.6Very high143 Ų14335.6 Ų35.667%0.66819%0.185SC*.Hα-helixtrans-59.5-36.4179.9-175178.2-179.500112.2H243 I244H243-E247 WeakPolarHBondContact O-CB 3.28Å; H243-E247 PolarHBondContact O-N 3.33Å; I244-E247 PolarHBondContact O-N 3.24Å
248H91.9Very high95.7Very high75 Ų7539.6 Ų39.635%0.34720%0.2SC..THydrogen-bonded Turntrans-96.510.1-179.1-6477.6000113.6L217 M221 I244 L245 R246 I250L217-H248 HydrophobicContact CD1-CB 3.77Å; L217-H248 VanDerWaalsContact CD1-CD2 3.41Å; L217-H248 WeakPolarHBondContact CD1-CD2 3.4Å; L217-H248 VanDerWaalsContact CD1-CG 3.45Å; L217-H248 HydrophobicContact CD2-CB 3.71Å; L217-H248 HydrophobicContact CG-CB 4.38Å; M221-H248 WeakPolarHBondContact CE-CE1 3.41Å; M221-H248 WeakPolarHBondContact CE-NE2 3.46Å; I244-H248 PolarHBondContact O-N 3.26Å; I244-H248 VanDerWaalsContact O-N 3.11Å; I244-H248 PolarHBondContact O-ND1 3.18Å; L245-H248 PolarHBondContact O-N 3.2Å; R246-H248 PolarHBondContact O-N 3.15Å; H248-I250 VanDerWaalsContact C-N 3.31Å; H248-I250 PolarHBondContact O-N 2.93Å
249G92.3Very high95.8Very high41 Ų4141.8 Ų41.842%0.42322%0.217SC..THydrogen-bonded Turntrans61.634.6176.200000114.3R213 L245 R246 P251R213-G249 PolarHBondContact NH2-O 2.94Å; L245-G249 PolarHBondContact O-N 3.03Å; L245-G249 VanDerWaalsContact O-N 3.11Å; R246-G249 PolarHBondContact O-N 3.12Å; G249-P251 WeakPolarHBondContact O-CD 3.24Å
250I94.4Very high95.8Very high7 Ų742.8 Ų42.84%0.03623%0.228CC..  trans-92.2110.8170-58.2-58.5000108.6V206 R213 F214 L217 L245 H248V206-I250 HydrophobicContact CG1-CG2 4.06Å; V206-I250 HydrophobicContact CG2-CG2 3.98Å; R213-I250 HydrophobicContact CB-CD1 3.81Å; F214-I250 HydrophobicContact CB-CG2 4.11Å; F214-I250 HydrophobicContact CD2-CG2 4.04Å; F214-I250 HydrophobicContact CG-CG2 4.42Å; L217-I250 HydrophobicContact CD2-CG1 3.61Å; L245-I250 HydrophobicContact CB-CB 4.22Å; L245-I250 HydrophobicContact CD2-CG2 4.4Å; L245-I250 HydrophobicContact CG-CB 4.39Å; L245-I250 HydrophobicContact CG-CG2 4.44Å; L245-I250 PolarHBondContact O-N 3.07Å; H248-I250 VanDerWaalsContact C-N 3.31Å; H248-I250 PolarHBondContact O-N 2.93Å
251P94.1Very high95.8Very high46 Ų4643.7 Ų43.730%0.29923%0.232SC..  trans-66.8137.2176-2034.8000111.1G249G249-P251 WeakPolarHBondContact O-CD 3.24Å
252Y95.6Very high96Very high24 Ų2443.7 Ų43.79%0.09423%0.232CC..  trans-144.2155173.366.8-84.5000110.1P4 Y204 V205 P242 L245 R246 T254P4-Y252 WeakPolarHBondContact CB-O 3.48Å; P4-Y252 WeakPolarHBondContact CG-O 3.1Å; Y204-Y252 HydrophobicContact CD1-CD2 4.22Å; Y204-Y252 HydrophobicContact CD1-CE2 4.36Å; V205-Y252 CarbonylContact O-C 3.52Å; V205-Y252 WeakPolarHBondContact O-CA 3.18Å; V205-Y252 VanDerWaalsContact O-CB 3.24Å; V205-Y252 WeakPolarHBondContact O-CB 3.44Å; P242-Y252 HydrophobicContact CB-CE1 4.2Å; P242-Y252 HydrophobicContact CB-CE2 3.83Å; P242-Y252 VanDerWaalsContact CB-OH 3.28Å; P242-Y252 WeakPolarHBondContact CB-OH 3.37Å; P242-Y252 HydrophobicContact CG-CE2 4.5Å; L245-Y252 HydrophobicContact CB-CD1 3.74Å; L245-Y252 HydrophobicContact CB-CE1 3.94Å; L245-Y252 HydrophobicContact CD2-CD1 3.77Å; L245-Y252 HydrophobicContact CD2-CG 3.99Å; L245-Y252 HydrophobicContact CG-CD1 4.42Å; R246-Y252 HydrophobicContact CG-CE1 3.7Å; R246-Y252 PolarHBondContact NH1-OH 3.43Å; Y252-T254 HydrophobicContact CD2-CG2 3.97Å; Y252-T254 HydrophobicContact CE2-CG2 3.89Å
253S96.1Very high96.1Very high15 Ų1543.5 Ų43.511%0.10523%0.231CC..EExtended strand (participates in β ladder)trans-117.8156.7173.2-55.20000110S5 Y204 V205S5-S253 PolarHBondContact O-OG 2.73Å; Y204-S253 CarbonylContact C-O 3.53Å; Y204-S253 WeakPolarHBondContact CA-O 3.44Å; V205-S253 PolarHBondContact N-O 3.33Å; V205-S253 PolarHBondContact O-N 2.71Å
254T96.4Very high96.3Very high59 Ų5939.7 Ų39.736%0.36221%0.214SC..EExtended strand (participates in β ladder)trans-124.6154.4178.2610000111.2F202 W203 Y204 Y252F202-T254 HydrophobicContact CE1-CG2 3.96Å; F202-T254 HydrophobicContact CZ-CG2 4.48Å; W203-T254 VanDerWaalsContact O-CA 3.23Å; W203-T254 WeakPolarHBondContact O-CA 3.45Å; Y204-T254 HydrophobicContact CD1-CG2 3.38Å; Y204-T254 HydrophobicContact CE1-CG2 3.61Å; Y204-T254 HydrophobicContact CG-CG2 4.32Å; Y252-T254 HydrophobicContact CD2-CG2 3.97Å; Y252-T254 HydrophobicContact CE2-CG2 3.89Å
255V97.2Very high96.4Very high18 Ų1839.2 Ų39.211%0.10921%0.211CC..EExtended strand (participates in β ladder)trans-155.6141.2174.563.20000111.5V7 L37 K39 W203 M263V7-V255 HydrophobicContact CB-CB 4.01Å; V7-V255 HydrophobicContact CB-CG1 4.32Å; V7-V255 HydrophobicContact CB-CG2 4.39Å; V7-V255 HydrophobicContact CG1-CB 4.23Å; V7-V255 HydrophobicContact CG1-CG1 4.13Å; V7-V255 HydrophobicContact CG1-CG2 4.39Å; V7-V255 HydrophobicContact CG2-CB 3.97Å; V7-V255 HydrophobicContact CG2-CG1 4.07Å; L37-V255 HydrophobicContact CD2-CG1 3.55Å; K39-V255 VanDerWaalsContact CE-CG2 3.48Å; W203-V255 HydrophobicContact CB-CG1 3.8Å; W203-V255 HydrophobicContact CG-CG1 4.39Å; W203-V255 PolarHBondContact N-O 3.49Å; W203-V255 PolarHBondContact O-N 3.37Å; V255-M263 HydrophobicContact CG1-CE 3.55Å; V255-M263 HydrophobicContact CG1-SD 4.47Å
256I97.6Very high96.5Very high34 Ų3439.4 Ų39.417%0.17421%0.212CC..EExtended strand (participates in β ladder)trans-88.9119.7169.3-67-66.7000109.1K39 T109 P200 F202 K258K39-I256 WeakPolarHBondContact CE-O 3.28Å; K39-I256 PolarHBondContact NZ-O 3.05Å; T109-I256 HydrophobicContact CG2-CD1 3.9Å; T109-I256 HydrophobicContact CG2-CG1 3.77Å; P200-I256 HydrophobicContact CB-CG2 3.66Å; P200-I256 HydrophobicContact CG-CG2 4.23Å; F202-I256 HydrophobicContact CB-CD1 4.16Å; F202-I256 HydrophobicContact CD2-CD1 3.2Å; F202-I256 HydrophobicContact CD2-CG1 4.38Å; F202-I256 HydrophobicContact CE2-CD1 3.72Å; F202-I256 HydrophobicContact CG-CD1 3.85Å; I256-K258 HydrophobicContact CG2-CG 4.01Å
257H98.4Very high96.7Very high0 Ų032.1 Ų32.10%019%0.185CC..EExtended strand (participates in β ladder)trans-94.6111.8175.2175-160.8000109.7N193 L195 P200 K201 W203 E261 M263N193-H257 PolarHBondContact OD1-CE1 3Å; N193-H257 VanDerWaalsContact OD1-CE1 3.28Å; L195-H257 WeakPolarHBondContact CB-NE2 3.38Å; L195-H257 VanDerWaalsContact CD2-O 3.29Å; L195-H257 WeakPolarHBondContact CD2-O 3.39Å; P200-H257 CarbonylContact C-O 3.57Å; P200-H257 WeakPolarHBondContact CA-O 3.48Å; P200-H257 WeakPolarHBondContact CB-O 3.25Å; K201-H257 HydrophobicContact CB-CB 4.21Å; K201-H257 PolarHBondContact N-O 2.92Å; K201-H257 WeakPolarHBondContact O-CB 3.43Å; K201-H257 PolarHBondContact O-N 3Å; W203-H257 AromaticContact CE2-ND1 3.96Å; W203-H257 VanDerWaalsContact NE1-CB 3.3Å; W203-H257 AromaticContact NE1-CG 3.67Å; W203-H257 AromaticContact NE1-ND1 3.29Å; W203-H257 PolarHBondContact NE1-ND1 2.79Å; H257-E261 PolarHBondContact NE2-O 3.02Å; H257-M263 HydrophobicContact CB-CG 3.8Å; H257-M263 HydrophobicContact CB-SD 4.01Å; H257-M263 WeakPolarHBondContact ND1-CG 3.48Å
258K98.6Very high96.8Very high116 Ų11627.9 Ų27.950%0.50416%0.163SC..  trans-96162.2-177.5-59.2-179.7179.9177.30111.4I256 E261I256-K258 HydrophobicContact CG2-CG 4.01Å; K258-E261 HydrophobicContact CB-CG 4.27Å; K258-E261 PolarHBondContact N-OE2 3.37Å; K258-E261 WeakPolarHBondContact O-CB 3.46Å; K258-E261 WeakPolarHBondContact O-CG 3.28Å; K258-E261 PolarHBondContact O-N 3.49Å
259A98Very high97.1Very high46 Ų4624.3 Ų24.338%0.3815%0.147SC..THydrogen-bonded Turntrans-58139.4175.400000110.5L195L195-A259 CarbonylContact O-C 3.36Å; L195-A259 WeakPolarHBondContact O-CA 3.43Å
260G97.5Very high97.4Very high24 Ų2422.6 Ų22.625%0.24713%0.128CC..THydrogen-bonded Turntrans85.10.2-175.600000115.1P42 Y194 L195P42-G260 WeakPolarHBondContact CD-O 3.37Å; P42-G260 WeakPolarHBondContact CG-O 3.21Å; Y194-G260 WeakPolarHBondContact OH-CA 3.37Å; L195-G260 PolarHBondContact O-N 3.42Å
261E98.6Very high97.6Very high20 Ų2022.4 Ų22.49%0.09313%0.127CC..  trans-107154.9-178.6-56.1178.2160.500111.6K39 I41 Y194 L195 H257 K258K39-E261 WeakPolarHBondContact CD-OE2 3.47Å; K39-E261 VanDerWaalsContact CE-OE2 3.3Å; K39-E261 WeakPolarHBondContact CE-OE2 3.34Å; K39-E261 IonicContact NZ-OE1 2.64Å; K39-E261 PolarHBondContact NZ-OE1 2.83Å; K39-E261 IonicContact NZ-OE2 2.64Å; K39-E261 PolarHBondContact NZ-OE2 2.67Å; I41-E261 HydrophobicContact CG1-CG 4.24Å; Y194-E261 WeakPolarHBondContact CD2-O 3.32Å; L195-E261 PolarHBondContact N-O 2.89Å; H257-E261 PolarHBondContact NE2-O 3.02Å; K258-E261 HydrophobicContact CB-CG 4.27Å; K258-E261 PolarHBondContact N-OE2 3.37Å; K258-E261 WeakPolarHBondContact O-CB 3.46Å; K258-E261 WeakPolarHBondContact O-CG 3.28Å; K258-E261 PolarHBondContact O-N 3.49Å
262F98.8Very high97.8Very high0 Ų020.5 Ų20.50%011%0.114CC..EExtended strand (participates in β ladder)trans-101.9144.6168.9-70.2-89.3000111.4F17 K39 V40 P42 W46 F136 W143 I145 I192 N193 Y194F17-F262 HydrophobicContact CE2-CE2 4.47Å; F17-F262 HydrophobicContact CZ-CD2 4.4Å; F17-F262 AromaticContact CZ-CE2 3.79Å; F17-F262 HydrophobicContact CZ-CE2 3.79Å; F17-F262 HydrophobicContact CZ-CZ 4.47Å; K39-F262 WeakPolarHBondContact CA-O 3.18Å; V40-F262 HydrophobicContact CB-CB 4.19Å; V40-F262 PolarHBondContact N-O 3.05Å; V40-F262 PolarHBondContact O-N 2.72Å; P42-F262 HydrophobicContact CB-CE2 4.32Å; P42-F262 HydrophobicContact CG-CD2 4.38Å; P42-F262 HydrophobicContact CG-CE2 4.28Å; W46-F262 AromaticContact CH2-CE2 3.74Å; W46-F262 HydrophobicContact CH2-CE2 3.74Å; W46-F262 AromaticContact CH2-CZ 3.5Å; W46-F262 HydrophobicContact CH2-CZ 3.5Å; W46-F262 VanDerWaalsContact CH2-CZ 3.5Å; W46-F262 HydrophobicContact CZ2-CZ 4.24Å; W46-F262 AromaticContact CZ3-CE2 3.74Å; W46-F262 HydrophobicContact CZ3-CE2 3.74Å; W46-F262 AromaticContact CZ3-CZ 3.98Å; W46-F262 HydrophobicContact CZ3-CZ 3.98Å; F136-F262 HydrophobicContact CZ-CE1 4.29Å; F136-F262 HydrophobicContact CZ-CZ 4.22Å; W143-F262 HydrophobicContact CB-CE1 4.44Å; W143-F262 HydrophobicContact CB-CE2 4.44Å; W143-F262 HydrophobicContact CB-CZ 3.88Å; W143-F262 AromaticContact CE3-CD1 3.89Å; W143-F262 HydrophobicContact CE3-CD1 3.89Å; W143-F262 AromaticContact CE3-CD2 3.88Å; W143-F262 HydrophobicContact CE3-CD2 3.88Å; W143-F262 AromaticContact CE3-CE1 3.89Å; W143-F262 HydrophobicContact CE3-CE1 3.89Å; W143-F262 AromaticContact CE3-CE2 3.94Å; W143-F262 HydrophobicContact CE3-CE2 3.94Å; W143-F262 AromaticContact CE3-CG 3.86Å; W143-F262 HydrophobicContact CE3-CG 3.86Å; W143-F262 AromaticContact CE3-CZ 3.92Å; W143-F262 HydrophobicContact CE3-CZ 3.92Å; W143-F262 HydrophobicContact CZ3-CB 4.17Å; W143-F262 HydrophobicContact CZ3-CD1 4.24Å; W143-F262 HydrophobicContact CZ3-CD2 4.19Å; W143-F262 AromaticContact CZ3-CG 3.96Å; W143-F262 HydrophobicContact CZ3-CG 3.96Å; I145-F262 HydrophobicContact CD1-CE1 4.43Å; I192-F262 HydrophobicContact CD1-CD1 3.56Å; I192-F262 HydrophobicContact CD1-CE1 3.75Å; I192-F262 HydrophobicContact CG1-CD1 3.69Å; I192-F262 HydrophobicContact CG1-CE1 4.22Å; N193-F262 CarbonylContact O-C 3.59Å; N193-F262 WeakPolarHBondContact O-CA 3.43Å; Y194-F262 AromaticContact CD2-CD1 3.68Å; Y194-F262 HydrophobicContact CD2-CD1 3.68Å; Y194-F262 AromaticContact CD2-CD2 3.65Å; Y194-F262 HydrophobicContact CD2-CD2 3.65Å; Y194-F262 AromaticContact CD2-CE1 3.52Å; Y194-F262 HydrophobicContact CD2-CE1 3.52Å; Y194-F262 AromaticContact CD2-CE2 3.43Å; Y194-F262 HydrophobicContact CD2-CE2 3.43Å; Y194-F262 VanDerWaalsContact CD2-CE2 3.43Å; Y194-F262 AromaticContact CD2-CG 3.77Å; Y194-F262 HydrophobicContact CD2-CG 3.77Å; Y194-F262 AromaticContact CD2-CZ 3.39Å; Y194-F262 HydrophobicContact CD2-CZ 3.39Å; Y194-F262 HydrophobicContact CE2-CD2 4.07Å; Y194-F262 HydrophobicContact CE2-CE1 4.5Å; Y194-F262 AromaticContact CE2-CE2 3.69Å; Y194-F262 HydrophobicContact CE2-CE2 3.69Å; Y194-F262 AromaticContact CE2-CZ 3.95Å; Y194-F262 HydrophobicContact CE2-CZ 3.95Å; Y194-F262 HydrophobicContact CG-CD1 4.13Å; Y194-F262 AromaticContact CG-CE1 3.82Å; Y194-F262 HydrophobicContact CG-CE1 3.82Å; Y194-F262 HydrophobicContact CG-CE2 4.45Å; Y194-F262 AromaticContact CG-CZ 3.99Å; Y194-F262 HydrophobicContact CG-CZ 3.99Å
263M98.8Very high97.9Very high0 Ų019.4 Ų19.40%011%0.11CC..EExtended strand (participates in β ladder)trans-113.7135.7163.2-62.4-55.6-55.800109.3L37 A38 K39 I192 N193 W203 V255 H257L37-M263 HydrophobicContact CD1-CE 3.7Å; L37-M263 HydrophobicContact CD2-CE 3.55Å; L37-M263 HydrophobicContact CG-CE 3.45Å; L37-M263 VanDerWaalsContact CG-CE 3.45Å; A38-M263 WeakPolarHBondContact O-CA 3.34Å; K39-M263 HydrophobicContact CB-CE 4.32Å; K39-M263 HydrophobicContact CB-SD 3.86Å; K39-M263 HydrophobicContact CG-SD 3.99Å; I192-M263 CarbonylContact C-O 3.57Å; I192-M263 WeakPolarHBondContact CA-O 3.05Å; N193-M263 HydrophobicContact CB-CB 4.33Å; N193-M263 PolarHBondContact N-O 3.43Å; N193-M263 PolarHBondContact O-N 3.05Å; W203-M263 HydrophobicContact CZ2-CB 4.13Å; W203-M263 HydrophobicContact CZ2-CG 4.18Å; V255-M263 HydrophobicContact CG1-CE 3.55Å; V255-M263 HydrophobicContact CG1-SD 4.47Å; H257-M263 HydrophobicContact CB-CG 3.8Å; H257-M263 HydrophobicContact CB-SD 4.01Å; H257-M263 WeakPolarHBondContact ND1-CG 3.48Å
264I98.7Very high98.1Very high0 Ų018.7 Ų18.70%011%0.105CC..EExtended strand (participates in β ladder)trans-118119.1175-56.9-63.6000108.3F20 I24 L37 A38 V40 W143 S191 I192 F266 F286F20-I264 HydrophobicContact CE2-CD1 4.48Å; I24-I264 HydrophobicContact CD1-CD1 4.12Å; I24-I264 HydrophobicContact CD1-CG1 4.19Å; I24-I264 HydrophobicContact CD1-CG2 4.29Å; L37-I264 CarbonylContact C-O 3.59Å; L37-I264 WeakPolarHBondContact CA-O 3.37Å; L37-I264 WeakPolarHBondContact CD1-O 3.2Å; A38-I264 PolarHBondContact N-O 3.36Å; A38-I264 PolarHBondContact O-N 3.01Å; V40-I264 HydrophobicContact CG2-CG1 4.32Å; W143-I264 HydrophobicContact CZ3-CD1 4.27Å; S191-I264 WeakPolarHBondContact O-CA 3.43Å; I192-I264 HydrophobicContact CB-CD1 3.78Å; I192-I264 HydrophobicContact CD1-CD1 3.85Å; I192-I264 HydrophobicContact CG1-CD1 3.6Å; I264-F266 HydrophobicContact CG2-CE1 4.28Å; I264-F266 HydrophobicContact CG2-CE2 4.33Å; I264-F266 HydrophobicContact CG2-CZ 4.08Å; I264-F286 HydrophobicContact CD1-CE1 4.18Å; I264-F286 HydrophobicContact CD1-CZ 4.42Å; I264-F286 HydrophobicContact CG2-CE1 4.27Å; I264-F286 HydrophobicContact CG2-CZ 3.93Å
265T98.6Very high98.2Very high1 Ų115.9 Ų15.91%0.0069%0.088CC..EExtended strand (participates in β ladder)trans-94.1143.7169.875.50000109.2L37 H190 S191 W203L37-T265 HydrophobicContact CD1-CG2 3.76Å; H190-T265 WeakPolarHBondContact CA-O 3.35Å; H190-T265 WeakPolarHBondContact CB-O 3.48Å; S191-T265 WeakPolarHBondContact CB-OG1 3.34Å; S191-T265 PolarHBondContact N-O 3.48Å; S191-T265 PolarHBondContact N-OG1 3.07Å; S191-T265 PolarHBondContact O-N 3.13Å; S191-T265 WeakPolarHBondContact OG-CG2 3.35Å; S191-T265 PolarHBondContact OG-OG1 3.04Å; W203-T265 HydrophobicContact CZ3-CG2 4.04Å
266F98.2Very high98.2Very high3 Ų315 Ų151%0.0138%0.082CC..PPolyproline II helixtrans-103.6159.7-179.5-65.6-85.3000111.4I27 E28 A32 P33 G36 A38 H190 I264 Y268 A269I27-F266 HydrophobicContact CD1-CZ 3.94Å; I27-F266 HydrophobicContact CG1-CZ 4.23Å; E28-F266 HydrophobicContact CG-CD1 4.24Å; E28-F266 HydrophobicContact CG-CE1 3.68Å; A32-F266 HydrophobicContact CB-CE2 3.66Å; A32-F266 HydrophobicContact CB-CZ 3.52Å; P33-F266 HydrophobicContact CB-CB 4.47Å; P33-F266 HydrophobicContact CB-CD1 4.22Å; P33-F266 HydrophobicContact CB-CG 4.26Å; P33-F266 HydrophobicContact CG-CD1 3.71Å; P33-F266 HydrophobicContact CG-CE1 3.86Å; P33-F266 HydrophobicContact CG-CG 4.2Å; P33-F266 HydrophobicContact CG-CZ 4.44Å; G36-F266 PolarHBondContact O-N 3.06Å; A38-F266 HydrophobicContact CB-CE2 3.79Å; A38-F266 HydrophobicContact CB-CZ 4.14Å; H190-F266 AromaticContact CD2-CD1 3.66Å; H190-F266 AromaticContact NE2-CD1 3.67Å; I264-F266 HydrophobicContact CG2-CE1 4.28Å; I264-F266 HydrophobicContact CG2-CE2 4.33Å; I264-F266 HydrophobicContact CG2-CZ 4.08Å; F266-Y268 PolarHBondContact O-N 3.27Å; F266-A269 WeakPolarHBondContact O-CB 3.44Å; F266-A269 PolarHBondContact O-N 3.39Å
267P97.2Very high98.3Very high3 Ų313.4 Ų13.42%0.0197%0.074CC..THydrogen-bonded Turntrans-50.2133-179.6-33.738.5000113.1D188 H190 P208 A269 W291 F294D188-P267 WeakPolarHBondContact O-CA 3.48Å; D188-P267 WeakPolarHBondContact O-CB 3.38Å; H190-P267 WeakPolarHBondContact CE1-CD 3.39Å; H190-P267 WeakPolarHBondContact CE1-CG 3.5Å; H190-P267 WeakPolarHBondContact ND1-CG 3.34Å; H190-P267 WeakPolarHBondContact NE2-CD 3.23Å; P208-P267 WeakPolarHBondContact CG-O 3.38Å; P267-A269 PolarHBondContact O-N 3.11Å; P267-A269 VanDerWaalsContact O-N 3.14Å; P267-W291 HydrophobicContact CG-CB 4.3Å; P267-F294 HydrophobicContact CB-CB 3.92Å; P267-F294 HydrophobicContact CB-CD1 3.74Å; P267-F294 HydrophobicContact CB-CD2 3.61Å; P267-F294 HydrophobicContact CB-CE1 4.11Å; P267-F294 HydrophobicContact CB-CE2 4Å; P267-F294 HydrophobicContact CB-CG 3.47Å; P267-F294 VanDerWaalsContact CB-CG 3.47Å; P267-F294 HydrophobicContact CB-CZ 4.23Å; P267-F294 HydrophobicContact CG-CD2 4.25Å; P267-F294 HydrophobicContact CG-CG 4.49Å
268Y96.4Very high98.3Very high53 Ų5314.4 Ų14.421%0.2088%0.078CC..THydrogen-bonded Turntrans62.112.2179-163.4-117.8000115.1T184 P208 E215 F266 Y270T184-Y268 HydrophobicContact CG2-CD2 4.35Å; P208-Y268 HydrophobicContact CB-CD1 4.24Å; P208-Y268 WeakPolarHBondContact O-CD1 3.47Å; E215-Y268 PolarHBondContact OE1-OH 3.02Å; F266-Y268 PolarHBondContact O-N 3.27Å; Y268-Y270 PolarHBondContact O-N 3.21Å
269A97.8Very high98.2Very high1 Ų18.9 Ų8.91%0.0085%0.054CC..  trans-81113172.900000110.4G36 V205 P208 F266 P267 H271G36-A269 VanDerWaalsContact CA-CB 3.43Å; G36-A269 WeakPolarHBondContact O-CB 3.09Å; V205-A269 HydrophobicContact CG2-CB 4.27Å; P208-A269 HydrophobicContact CG-CB 3.96Å; F266-A269 WeakPolarHBondContact O-CB 3.44Å; F266-A269 PolarHBondContact O-N 3.39Å; P267-A269 PolarHBondContact O-N 3.11Å; P267-A269 VanDerWaalsContact O-N 3.14Å; A269-H271 PolarHBondContact O-N 2.86Å; A269-H271 PolarHBondContact O-ND1 3.4Å
270Y98.5Very high98.2Very high5 Ų56.7 Ų6.72%0.024%0.036CC..EExtended strand (participates in β ladder)trans-69.2130.5174.2-90.4-74.3000110.1H183 T184 V205 V206 F214 E215 M233 Y268H183-Y270 WeakPolarHBondContact O-CA 3.45Å; T184-Y270 HydrophobicContact CG2-CD1 4Å; T184-Y270 HydrophobicContact CG2-CD2 3.89Å; T184-Y270 HydrophobicContact CG2-CE1 3.94Å; T184-Y270 HydrophobicContact CG2-CE2 3.87Å; T184-Y270 HydrophobicContact CG2-CG 3.97Å; V205-Y270 CarbonylContact C-O 3.47Å; V205-Y270 VanDerWaalsContact CA-O 3.29Å; V205-Y270 WeakPolarHBondContact CA-O 3.19Å; V205-Y270 WeakPolarHBondContact CG2-O 3.42Å; V206-Y270 PolarHBondContact N-O 3.2Å; V206-Y270 PolarHBondContact O-N 2.74Å; F214-Y270 AromaticContact CD1-CD1 3.99Å; F214-Y270 HydrophobicContact CD1-CD1 3.99Å; F214-Y270 AromaticContact CD1-CD2 3.8Å; F214-Y270 HydrophobicContact CD1-CD2 3.8Å; F214-Y270 HydrophobicContact CD1-CE2 4.39Å; F214-Y270 AromaticContact CD1-CG 3.56Å; F214-Y270 HydrophobicContact CD1-CG 3.56Å; F214-Y270 AromaticContact CE1-CD1 3.81Å; F214-Y270 HydrophobicContact CE1-CD1 3.81Å; F214-Y270 HydrophobicContact CE1-CD2 4.45Å; F214-Y270 AromaticContact CE1-CG 3.79Å; F214-Y270 HydrophobicContact CE1-CG 3.79Å; E215-Y270 HydrophobicContact CG-CE2 3.56Å; E215-Y270 WeakPolarHBondContact CG-OH 3.4Å; E215-Y270 PolarHBondContact OE1-OH 2.89Å; M233-Y270 HydrophobicContact CB-CE1 3.77Å; M233-Y270 WeakPolarHBondContact CB-OH 3.49Å; M233-Y270 HydrophobicContact CE-CD1 3.88Å; M233-Y270 HydrophobicContact CE-CE1 3.54Å; M233-Y270 HydrophobicContact CG-CE1 4.07Å; Y268-Y270 PolarHBondContact O-N 3.21Å
271H98.7Very high98.3Very high3 Ų35.6 Ų5.61%0.0142%0.024CC..EExtended strand (participates in β ladder)trans-143.3151.8177.758.8-84.6000111.6W182 H183 E185 W203 Y204 A269W182-H271 WeakPolarHBondContact CA-O 3.22Å; H183-H271 AromaticContact CE1-CD2 3.78Å; H183-H271 AromaticContact CE1-NE2 3.33Å; H183-H271 PolarHBondContact CE1-NE2 2.97Å; H183-H271 VanDerWaalsContact CE1-NE2 3.33Å; H183-H271 PolarHBondContact N-O 3.18Å; H183-H271 VanDerWaalsContact N-O 3.07Å; H183-H271 PolarHBondContact ND1-O 3.02Å; H183-H271 AromaticContact NE2-NE2 3.48Å; H183-H271 PolarHBondContact NE2-NE2 3.28Å; H183-H271 PolarHBondContact O-N 3.22Å; H183-H271 PolarHBondContact O-ND1 3.15Å; E185-H271 IonicContact OE1-CE1 3.94Å; E185-H271 PolarHBondContact OE1-CE1 3.2Å; E185-H271 VanDerWaalsContact OE1-CE1 3.27Å; E185-H271 IonicContact OE1-NE2 3.51Å; E185-H271 PolarHBondContact OE1-NE2 2.97Å; W203-H271 AromaticContact CZ3-CD2 3.66Å; Y204-H271 WeakPolarHBondContact O-CA 3.44Å; Y204-H271 WeakPolarHBondContact O-CB 3.36Å; A269-H271 PolarHBondContact O-N 2.86Å; A269-H271 PolarHBondContact O-ND1 3.4Å
272C98.5Very high98.2Very high5 Ų54.6 Ų4.63%0.0342%0.02CC..EExtended strand (participates in β ladder)trans-149.6176.2174.484.80000109.9F180 W182 W203 Y204F180-C272 VanDerWaalsContact CE2-O 3.31Å; F180-C272 WeakPolarHBondContact CE2-O 3.48Å; F180-C272 WeakPolarHBondContact O-CA 3.17Å; F180-C272 WeakPolarHBondContact O-CB 3.23Å; W182-C272 HydrophobicContact CB-CB 4.26Å; W182-C272 HydrophobicContact CD2-CB 3.51Å; W182-C272 VanDerWaalsContact CD2-SG 3.58Å; W182-C272 HydrophobicContact CE3-CB 3.82Å; W182-C272 HydrophobicContact CG-CB 3.69Å; W182-C272 HydrophobicContact CZ2-CB 4.48Å; W182-C272 WeakPolarHBondContact CZ2-SG 3.13Å; W182-C272 HydrophobicContact CZ3-CB 4.42Å; W182-C272 PolarHBondContact NE1-SG 3.32Å; W203-C272 CarbonylContact C-O 3.58Å; W203-C272 WeakPolarHBondContact CA-O 3.42Å; Y204-C272 VanDerWaalsContact CD2-SG 3.52Å; Y204-C272 PolarHBondContact N-O 3.47Å; Y204-C272 PolarHBondContact O-N 2.69Å
273G98.3Very high98.1Very high1 Ų15.2 Ų5.21%0.012%0.024CC..EExtended strand (participates in β ladder)trans163.5-168.1174.700000114.2T179 F180 F202T179-G273 WeakPolarHBondContact CA-O 3.35Å; T179-G273 WeakPolarHBondContact CG2-O 3.37Å; F180-G273 VanDerWaalsContact CD1-O 3.3Å; F180-G273 WeakPolarHBondContact CD1-O 3.49Å; F180-G273 WeakPolarHBondContact CE1-O 3.48Å; F180-G273 PolarHBondContact N-O 2.9Å; F180-G273 PolarHBondContact O-N 2.97Å; F202-G273 CarbonylContact O-C 3.48Å; F202-G273 WeakPolarHBondContact O-CA 3.4Å
274F98.5Very high98Very high0 Ų05.6 Ų5.60%03%0.026CC..EExtended strand (participates in β ladder)trans-147.7156.6-174.762.6-87.9000112.5L112 Y116 W176 A178 F202 Y204 V276L112-F274 HydrophobicContact CD1-CE2 4.42Å; L112-F274 HydrophobicContact CG-CE2 4.32Å; L112-F274 HydrophobicContact CG-CZ 4.49Å; Y116-F274 AromaticContact CD1-CD1 3.39Å; Y116-F274 HydrophobicContact CD1-CD1 3.39Å; Y116-F274 AromaticContact CD1-CE1 3.44Å; Y116-F274 HydrophobicContact CD1-CE1 3.44Å; Y116-F274 VanDerWaalsContact CD1-CE1 3.44Å; Y116-F274 HydrophobicContact CD1-CG 4Å; Y116-F274 HydrophobicContact CD1-CZ 4.09Å; Y116-F274 HydrophobicContact CD2-CB 3.72Å; Y116-F274 AromaticContact CD2-CD1 3.72Å; Y116-F274 HydrophobicContact CD2-CD1 3.72Å; Y116-F274 AromaticContact CD2-CD2 3.61Å; Y116-F274 HydrophobicContact CD2-CD2 3.61Å; Y116-F274 HydrophobicContact CD2-CE1 4.21Å; Y116-F274 HydrophobicContact CD2-CE2 4.12Å; Y116-F274 AromaticContact CD2-CG 3.39Å; Y116-F274 HydrophobicContact CD2-CG 3.39Å; Y116-F274 HydrophobicContact CD2-CZ 4.39Å; Y116-F274 HydrophobicContact CE1-CB 4.4Å; Y116-F274 AromaticContact CE1-CD1 3.49Å; Y116-F274 HydrophobicContact CE1-CD1 3.49Å; Y116-F274 VanDerWaalsContact CE1-CD1 3.49Å; Y116-F274 AromaticContact CE1-CE1 3.98Å; Y116-F274 HydrophobicContact CE1-CE1 3.98Å; Y116-F274 HydrophobicContact CE1-CG 4.1Å; Y116-F274 HydrophobicContact CE2-CB 3.31Å; Y116-F274 AromaticContact CE2-CD1 3.81Å; Y116-F274 HydrophobicContact CE2-CD1 3.81Å; Y116-F274 HydrophobicContact CE2-CD2 4.16Å; Y116-F274 AromaticContact CE2-CG 3.5Å; Y116-F274 HydrophobicContact CE2-CG 3.5Å; Y116-F274 VanDerWaalsContact CE2-CG 3.5Å; Y116-F274 HydrophobicContact CG-CB 4.4Å; Y116-F274 AromaticContact CG-CD1 3.5Å; Y116-F274 HydrophobicContact CG-CD1 3.5Å; Y116-F274 VanDerWaalsContact CG-CD1 3.5Å; Y116-F274 AromaticContact CG-CD2 3.84Å; Y116-F274 HydrophobicContact CG-CD2 3.84Å; Y116-F274 AromaticContact CG-CE1 3.56Å; Y116-F274 HydrophobicContact CG-CE1 3.56Å; Y116-F274 AromaticContact CG-CE2 3.91Å; Y116-F274 HydrophobicContact CG-CE2 3.91Å; Y116-F274 AromaticContact CG-CG 3.64Å; Y116-F274 HydrophobicContact CG-CG 3.64Å; Y116-F274 AromaticContact CG-CZ 3.77Å; Y116-F274 HydrophobicContact CG-CZ 3.77Å; Y116-F274 AromaticContact CZ-CD1 3.69Å; Y116-F274 AromaticContact CZ-CG 3.85Å; W176-F274 HydrophobicContact CZ3-CD2 4.13Å; W176-F274 AromaticContact CZ3-CE2 3.9Å; W176-F274 HydrophobicContact CZ3-CE2 3.9Å; A178-F274 CarbonylContact O-C 3.54Å; A178-F274 WeakPolarHBondContact O-CA 3.32Å; F202-F274 HydrophobicContact CB-CD1 3.91Å; F202-F274 HydrophobicContact CB-CD2 4.22Å; F202-F274 HydrophobicContact CB-CE1 3.51Å; F202-F274 HydrophobicContact CB-CE2 3.85Å; F202-F274 HydrophobicContact CB-CG 4.25Å; F202-F274 HydrophobicContact CB-CZ 3.48Å; F202-F274 VanDerWaalsContact CB-CZ 3.48Å; F202-F274 AromaticContact CD1-CE1 3.94Å; F202-F274 HydrophobicContact CD1-CE1 3.94Å; F202-F274 HydrophobicContact CD1-CZ 4.36Å; F202-F274 HydrophobicContact CD2-CE1 4.06Å; F202-F274 HydrophobicContact CD2-CE2 4.46Å; F202-F274 AromaticContact CD2-CZ 3.64Å; F202-F274 HydrophobicContact CD2-CZ 3.64Å; F202-F274 HydrophobicContact CE2-CZ 4.48Å; F202-F274 HydrophobicContact CG-CD1 4.4Å; F202-F274 AromaticContact CG-CE1 3.58Å; F202-F274 HydrophobicContact CG-CE1 3.58Å; F202-F274 HydrophobicContact CG-CE2 4.4Å; F202-F274 AromaticContact CG-CZ 3.59Å; F202-F274 HydrophobicContact CG-CZ 3.59Å; F202-F274 PolarHBondContact N-O 3.02Å; F202-F274 PolarHBondContact O-N 3.27Å; Y204-F274 HydrophobicContact CE2-CD1 4.26Å; Y204-F274 HydrophobicContact CE2-CE1 4.08Å; F274-V276 HydrophobicContact CE2-CG2 4.32Å
275N98.7Very high98Very high0 Ų06.1 Ų6.10%03%0.029CC..EExtended strand (participates in β ladder)trans-86.6132.7173.6-61.6-74.9000109.8Y127 M175 R177 A178 K201 G277 N279Y127-N275 WeakPolarHBondContact CE2-ND2 3.34Å; M175-N275 WeakPolarHBondContact O-CB 3.27Å; R177-N275 PolarHBondContact N-O 2.94Å; A178-N275 HydrophobicContact CB-CB 4.31Å; A178-N275 PolarHBondContact O-N 3.38Å; A178-N275 PolarHBondContact O-ND2 2.97Å; K201-N275 PolarHBondContact NZ-OD1 2.85Å; N275-G277 VanDerWaalsContact C-N 3.32Å; N275-N279 PolarHBondContact OD1-ND2 3.12Å; N275-N279 PolarHBondContact OD1-OD1 3.39Å
276V98.5Very high97.9Very high0 Ų06.3 Ų6.30%03%0.03CC..  trans-74.3-27.5-179.5175.80000111.3T103 Y106 L112 W176 H199 P200 F274T103-V276 WeakPolarHBondContact CB-O 3.4Å; T103-V276 HydrophobicContact CG2-CG1 3.91Å; T103-V276 WeakPolarHBondContact CG2-O 3.38Å; T103-V276 PolarHBondContact OG1-O 3.37Å; Y106-V276 HydrophobicContact CE1-CG1 4.12Å; L112-V276 HydrophobicContact CD1-CG1 4Å; L112-V276 HydrophobicContact CD1-CG2 4.42Å; L112-V276 HydrophobicContact CD2-CG1 4.07Å; L112-V276 HydrophobicContact CD2-CG2 3.65Å; W176-V276 VanDerWaalsContact CE3-O 3.31Å; H199-V276 HydrophobicContact CB-CB 4.18Å; H199-V276 HydrophobicContact CB-CG1 4.43Å; P200-V276 HydrophobicContact CB-CG2 4.24Å; P200-V276 VanDerWaalsContact O-CB 3.25Å; P200-V276 WeakPolarHBondContact O-CB 3.48Å; P200-V276 VanDerWaalsContact O-CG2 3.26Å; P200-V276 WeakPolarHBondContact O-CG2 3.5Å; P200-V276 PolarHBondContact O-N 3.18Å; F274-V276 HydrophobicContact CE2-CG2 4.32Å
277G98.3Very high97.8Very high0 Ų06.2 Ų6.20%03%0.03CC..SBendtrans-175.5-160-177.300000110.9T103 G174 M175 N275 N279T103-G277 WeakPolarHBondContact OG1-CA 3.47Å; G174-G277 CarbonylContact C-O 3.19Å; M175-G277 WeakPolarHBondContact CA-O 3.29Å; N275-G277 VanDerWaalsContact C-N 3.32Å; G277-N279 PolarHBondContact O-N 2.9Å
278Y98.2Very high97.6Very high22 Ų226.9 Ų6.99%0.0863%0.033CC..SBendtrans-58.4118.6175.5177.7-115.1000111I89 F92 R93 A96 G174 F197 G198 H199I89-Y278 VanDerWaalsContact CG2-OH 3.3Å; I89-Y278 WeakPolarHBondContact CG2-OH 3.34Å; F92-Y278 AromaticContact CD1-CD2 3.99Å; F92-Y278 HydrophobicContact CD1-CD2 3.99Å; F92-Y278 AromaticContact CD1-CE2 3.89Å; F92-Y278 HydrophobicContact CD1-CE2 3.89Å; F92-Y278 HydrophobicContact CE1-CD2 4.18Å; F92-Y278 HydrophobicContact CE1-CE2 4.43Å; R93-Y278 HydrophobicContact CB-CD1 4.42Å; R93-Y278 HydrophobicContact CB-CD2 4.27Å; R93-Y278 HydrophobicContact CB-CE1 3.95Å; R93-Y278 HydrophobicContact CB-CE2 3.79Å; R93-Y278 HydrophobicContact CG-CD1 3.86Å; R93-Y278 HydrophobicContact CG-CD2 4.49Å; R93-Y278 HydrophobicContact CG-CE1 3.61Å; R93-Y278 HydrophobicContact CG-CE2 4.28Å; R93-Y278 HydrophobicContact CG-CG 4.29Å; A96-Y278 HydrophobicContact CB-CD2 3.93Å; A96-Y278 HydrophobicContact CB-CG 4.25Å; G174-Y278 VanDerWaalsContact O-CA 3.23Å; G174-Y278 WeakPolarHBondContact O-CA 3.44Å; F197-Y278 HydrophobicContact CD2-CE1 4.3Å; F197-Y278 HydrophobicContact CE2-CD1 4.46Å; F197-Y278 AromaticContact CE2-CE1 3.6Å; F197-Y278 HydrophobicContact CE2-CE1 3.6Å; F197-Y278 AromaticContact CE2-CZ 3.64Å; G198-Y278 WeakPolarHBondContact CA-O 3.21Å; H199-Y278 PolarHBondContact N-O 3.45Å
279N98.1Very high97.3Very high0 Ų08.6 Ų8.60%05%0.045CC..EExtended strand (participates in β ladder)trans-152.5169.7176.968.215.7000111.8F173 G174 L195 F197 H199 N275 G277F173-N279 CarbonylContact C-O 3.57Å; F173-N279 WeakPolarHBondContact CA-O 3.47Å; G174-N279 WeakPolarHBondContact CA-OD1 3.43Å; G174-N279 PolarHBondContact N-O 3.35Å; G174-N279 PolarHBondContact N-OD1 3.47Å; G174-N279 VanDerWaalsContact N-OD1 3.13Å; G174-N279 PolarHBondContact O-N 3.13Å; G174-N279 VanDerWaalsContact O-N 3.17Å; L195-N279 HydrophobicContact CD1-CB 4.1Å; F197-N279 WeakPolarHBondContact O-CA 3.3Å; F197-N279 WeakPolarHBondContact O-CB 3.5Å; H199-N279 WeakPolarHBondContact O-CB 3.19Å; H199-N279 PolarHBondContact O-ND2 2.8Å; N275-N279 PolarHBondContact OD1-ND2 3.12Å; N275-N279 PolarHBondContact OD1-OD1 3.39Å; G277-N279 PolarHBondContact O-N 2.9Å
280C97.8Very high96.9Very high0 Ų014.2 Ų14.20%07%0.066CC..EExtended strand (participates in β ladder)trans-134.9123.8170.6-176.20000109.9Y172 F173 H196 F197Y172-C280 CarbonylContact O-C 3.6Å; Y172-C280 WeakPolarHBondContact O-CA 3.46Å; F173-C280 HydrophobicContact CD1-CB 3.98Å; F173-C280 HydrophobicContact CE1-CB 3.97Å; F173-C280 WeakPolarHBondContact CE1-SG 3.01Å; H196-C280 PolarHBondContact N-O 2.76Å; F197-C280 HydrophobicContact CD1-CB 3.94Å; F197-C280 HydrophobicContact CD2-CB 4.25Å; F197-C280 HydrophobicContact CE1-CB 3.34Å; F197-C280 HydrophobicContact CE2-CB 3.66Å; F197-C280 HydrophobicContact CG-CB 4.37Å; F197-C280 HydrophobicContact CZ-CB 3.19Å; F197-C280 PolarHBondContact O-N 2.87Å; F197-C280 VanDerWaalsContact O-N 3.13Å
281A98.2Very high96.7Very high0 Ų014 Ų140%07%0.065CC..EExtended strand (participates in β ladder)trans-114151.4171.800000110.7L171 Y172 N193 Y194 L195L171-A281 CarbonylContact C-O 3.47Å; L171-A281 WeakPolarHBondContact CA-O 3.36Å; Y172-A281 PolarHBondContact N-O 3.12Å; Y172-A281 PolarHBondContact O-N 3.02Å; N193-A281 WeakPolarHBondContact OD1-CB 3.43Å; Y194-A281 CarbonylContact O-C 3.53Å; Y194-A281 VanDerWaalsContact O-CA 3.25Å; Y194-A281 WeakPolarHBondContact O-CA 3.43Å; L195-A281 HydrophobicContact CD1-CB 3.76Å
282E97.6Very high96.2Very high0 Ų013.9 Ų13.90%06%0.064CC..EExtended strand (participates in β ladder)trans-118.5137.8170.1-173.8173.1149.400109.4S134 L135 F136 I145 P169 Y170 L171 N193 Y194 H196S134-E282 VanDerWaalsContact CB-OE1 3.24Å; S134-E282 WeakPolarHBondContact CB-OE1 3.32Å; S134-E282 VanDerWaalsContact OG-CD 3.3Å; S134-E282 PolarHBondContact OG-OE1 2.86Å; S134-E282 PolarHBondContact OG-OE2 2.66Å; L135-E282 PolarHBondContact N-OE2 3.11Å; F136-E282 WeakPolarHBondContact CD2-OE1 3.39Å; F136-E282 VanDerWaalsContact CD2-OE2 3.32Å; F136-E282 WeakPolarHBondContact CD2-OE2 3.04Å; I145-E282 HydrophobicContact CB-CG 4.34Å; I145-E282 HydrophobicContact CD1-CB 4.13Å; I145-E282 HydrophobicContact CD1-CG 4.08Å; I145-E282 VanDerWaalsContact CD1-O 3.32Å; I145-E282 WeakPolarHBondContact CD1-O 2.97Å; I145-E282 HydrophobicContact CG2-CG 4.16Å; P169-E282 HydrophobicContact CB-CG 4.14Å; Y170-E282 CarbonylContact O-C 3.54Å; Y170-E282 WeakPolarHBondContact O-CA 3.46Å; L171-E282 HydrophobicContact CD2-CB 3.79Å; L171-E282 HydrophobicContact CD2-CG 3.87Å; N193-E282 CarbonylContact C-O 3.53Å; N193-E282 WeakPolarHBondContact CA-O 3.04Å; Y194-E282 PolarHBondContact N-O 3.46Å; Y194-E282 PolarHBondContact O-N 3.12Å; H196-E282 IonicContact CD2-OE2 2.79Å; H196-E282 IonicContact CE1-OE2 3.04Å; H196-E282 VanDerWaalsContact NE2-CB 3.34Å; H196-E282 WeakPolarHBondContact NE2-CB 3.46Å; H196-E282 IonicContact NE2-OE2 2.8Å; H196-E282 PolarHBondContact NE2-OE2 2.88Å
283S97.5Very high95.4Very high13 Ų1316.1 Ų16.19%0.0918%0.076CC..EExtended strand (participates in β ladder)trans-143.1153.5-176.3-1340000112.3P169 Y170 I192 N193P169-S283 WeakPolarHBondContact CA-O 3.26Å; Y170-S283 PolarHBondContact N-O 3.13Å; Y170-S283 PolarHBondContact O-N 2.94Å; I192-S283 WeakPolarHBondContact O-CA 3.44Å; I192-S283 WeakPolarHBondContact O-CB 3.48Å; I192-S283 PolarHBondContact O-OG 3.27Å; N193-S283 WeakPolarHBondContact CB-OG 3.36Å; N193-S283 WeakPolarHBondContact ND2-CB 3.31Å; N193-S283 PolarHBondContact ND2-OG 2.8Å
284T96.8Very high95.1Very high7 Ų718.3 Ų18.34%0.0439%0.086CC..EExtended strand (participates in β ladder)trans-155.9173.9163.6-156.20000109.7I145 L148 G165 V166 T168 S191 I192I145-T284 HydrophobicContact CG2-CG2 3.46Å; I145-T284 VanDerWaalsContact CG2-CG2 3.46Å; I145-T284 WeakPolarHBondContact O-CG2 3.44Å; L148-T284 HydrophobicContact CD1-CG2 3.72Å; G165-T284 PolarHBondContact O-OG1 2.85Å; V166-T284 PolarHBondContact O-OG1 2.89Å; T168-T284 PolarHBondContact O-OG1 2.95Å; S191-T284 WeakPolarHBondContact CA-O 3.31Å; I192-T284 HydrophobicContact CG2-CG2 3.99Å; I192-T284 PolarHBondContact N-O 3.38Å; I192-T284 PolarHBondContact O-N 2.91Å
285N97.2Very high94.6Very high12 Ų1218.5 Ų18.56%0.0649%0.087CC..EExtended strand (participates in β ladder)trans-95.8155.5171.9-61.2108000112L152 V166 E185 L189 H190L152-N285 HydrophobicContact CD2-CB 4.17Å; L152-N285 WeakPolarHBondContact CD2-O 3.45Å; V166-N285 WeakPolarHBondContact CA-OD1 3.48Å; V166-N285 HydrophobicContact CG1-CB 4.14Å; V166-N285 WeakPolarHBondContact O-CB 3.44Å; V166-N285 PolarHBondContact O-N 3.36Å; E185-N285 WeakPolarHBondContact CB-ND2 3.48Å; E185-N285 WeakPolarHBondContact CG-ND2 3.48Å; E185-N285 PolarHBondContact OE2-ND2 3.11Å; L189-N285 HydrophobicContact CB-CB 3.99Å; L189-N285 HydrophobicContact CD1-CB 3.77Å; L189-N285 HydrophobicContact CG-CB 4.42Å; H190-N285 VanDerWaalsContact O-CA 3.25Å; H190-N285 WeakPolarHBondContact O-CA 3.49Å; H190-N285 WeakPolarHBondContact O-CB 3.44Å; H190-N285 PolarHBondContact O-ND2 3.48Å; H190-N285 VanDerWaalsContact O-ND2 3.12Å
286F96.9Very high94Very high4 Ų421.6 Ų21.62%0.01810%0.102CC..EExtended strand (participates in β ladder)trans-145.9168.8171.671.4-85.9000110.3F20 I24 L148 T150 L189 H190 I192 I264F20-F286 HydrophobicContact CE1-CD1 4.49Å; F20-F286 AromaticContact CE1-CD2 3.82Å; F20-F286 HydrophobicContact CE1-CD2 3.82Å; F20-F286 HydrophobicContact CE1-CE2 4.03Å; F20-F286 HydrophobicContact CE1-CG 4.07Å; F20-F286 HydrophobicContact CE1-CZ 4.43Å; F20-F286 HydrophobicContact CZ-CD1 4.03Å; F20-F286 AromaticContact CZ-CD2 3.97Å; F20-F286 HydrophobicContact CZ-CD2 3.97Å; F20-F286 AromaticContact CZ-CE1 3.89Å; F20-F286 HydrophobicContact CZ-CE1 3.89Å; F20-F286 AromaticContact CZ-CE2 3.84Å; F20-F286 HydrophobicContact CZ-CE2 3.84Å; F20-F286 HydrophobicContact CZ-CG 4.06Å; F20-F286 AromaticContact CZ-CZ 3.78Å; F20-F286 HydrophobicContact CZ-CZ 3.78Å; I24-F286 HydrophobicContact CD1-CE2 4.38Å; I24-F286 HydrophobicContact CD1-CZ 4Å; I24-F286 HydrophobicContact CG1-CE2 4.04Å; I24-F286 HydrophobicContact CG1-CZ 4.17Å; I24-F286 HydrophobicContact CG2-CE2 4.04Å; I24-F286 HydrophobicContact CG2-CZ 4.47Å; L148-F286 HydrophobicContact CD1-CB 3.82Å; L148-F286 HydrophobicContact CD1-CD1 4.21Å; L148-F286 HydrophobicContact CD1-CG 4.25Å; T150-F286 HydrophobicContact CG2-CB 3.9Å; T150-F286 HydrophobicContact CG2-CD2 4.24Å; T150-F286 HydrophobicContact CG2-CG 4.44Å; L189-F286 WeakPolarHBondContact CD2-O 3.18Å; H190-F286 HydrophobicContact CB-CD1 3.82Å; H190-F286 HydrophobicContact CB-CD2 3.96Å; H190-F286 HydrophobicContact CB-CE1 3.46Å; H190-F286 VanDerWaalsContact CB-CE1 3.46Å; H190-F286 HydrophobicContact CB-CE2 3.6Å; H190-F286 HydrophobicContact CB-CG 4.06Å; H190-F286 HydrophobicContact CB-CZ 3.35Å; H190-F286 WeakPolarHBondContact CB-O 3.31Å; H190-F286 AromaticContact CD2-CE2 3.89Å; H190-F286 AromaticContact CD2-CZ 3.8Å; H190-F286 AromaticContact CG-CE2 3.72Å; H190-F286 AromaticContact CG-CZ 3.77Å; H190-F286 PolarHBondContact N-O 2.96Å; H190-F286 PolarHBondContact O-N 3.39Å; I192-F286 HydrophobicContact CB-CD1 4.16Å; I192-F286 HydrophobicContact CB-CE1 4.02Å; I192-F286 HydrophobicContact CG2-CD1 4.16Å; I264-F286 HydrophobicContact CD1-CE1 4.18Å; I264-F286 HydrophobicContact CD1-CZ 4.42Å; I264-F286 HydrophobicContact CG2-CE1 4.27Å; I264-F286 HydrophobicContact CG2-CZ 3.93Å
287A96Very high93.3Very high1 Ų130.4 Ų30.41%0.00814%0.136CC..  trans-138.5149.617900000111.8T150 I151 L152 L189 W291T150-A287 WeakPolarHBondContact CB-O 3.46Å; T150-A287 PolarHBondContact OG1-N 2.65Å; T150-A287 VanDerWaalsContact OG1-N 3.13Å; T150-A287 PolarHBondContact OG1-O 3.38Å; I151-A287 HydrophobicContact CD1-CB 4.28Å; I151-A287 HydrophobicContact CG1-CB 3.7Å; I151-A287 WeakPolarHBondContact CG1-O 3.39Å; I151-A287 PolarHBondContact N-O 3.06Å; L152-A287 HydrophobicContact CB-CB 3.9Å; L152-A287 HydrophobicContact CD1-CB 4.45Å; L189-A287 HydrophobicContact CD2-CB 3.75Å; A287-W291 HydrophobicContact CB-CB 4.23Å; A287-W291 HydrophobicContact CB-CD2 3.73Å; A287-W291 HydrophobicContact CB-CE3 3.41Å; A287-W291 VanDerWaalsContact CB-CE3 3.41Å; A287-W291 HydrophobicContact CB-CG 4.08Å; A287-W291 HydrophobicContact CB-CZ3 4Å
288N93.2Very high92.8Very high17 Ų1731.1 Ų31.19%0.09114%0.142CC..  trans-120.9-179.9162.366.18.8000109.6E28 I151 H190 R290 W291E28-N288 PolarHBondContact OE1-ND2 2.87Å; E28-N288 PolarHBondContact OE2-ND2 2.85Å; I151-N288 WeakPolarHBondContact CD1-O 3.4Å; H190-N288 PolarHBondContact CE1-OD1 3.15Å; N288-R290 PolarHBondContact O-N 3.17Å; N288-R290 WeakPolarHBondContact OD1-CB 3.5Å; N288-R290 PolarHBondContact OD1-N 2.85Å; N288-W291 WeakPolarHBondContact O-CB 3.35Å; N288-W291 PolarHBondContact O-N 2.97Å; N288-W291 VanDerWaalsContact O-N 3.12Å; N288-W291 PolarHBondContact OD1-N 3.06Å; N288-W291 VanDerWaalsContact OD1-N 3.15Å
289I89.8Confident92.3Very high89 Ų8932 Ų3246%0.45615%0.148SC..G310 helixtrans-59.8-36.4-177.2-62.6174.3000111.6W291 I292 L320I289-W291 VanDerWaalsContact C-N 3.26Å; I289-W291 PolarHBondContact O-N 3.07Å; I289-I292 HydrophobicContact CG2-CD1 4.42Å; I289-I292 WeakPolarHBondContact O-CG1 3.41Å; I289-I292 PolarHBondContact O-N 2.9Å; I289-L320 HydrophobicContact CG2-CD2 4.2Å
290R89.6Confident91.9Very high120 Ų12034 Ų3445%0.45316%0.158SC..G310 helixtrans-58.6-36.4178.2177.8-174.1163.793.72.9112.3E28 N288 I292 F294E28-R290 WeakPolarHBondContact OE2-CD 3.29Å; N288-R290 PolarHBondContact O-N 3.17Å; N288-R290 WeakPolarHBondContact OD1-CB 3.5Å; N288-R290 PolarHBondContact OD1-N 2.85Å; R290-I292 VanDerWaalsContact C-N 3.28Å; R290-I292 PolarHBondContact O-N 2.94Å; R290-F294 HydrophobicContact CG-CE2 4.45Å
291W94.9Very high91.4Very high0 Ų034.2 Ų34.20%016%0.16CC..G310 helixtrans-61.1-31.8179.4162.775.3000113.6I151 M187 D188 L189 P267 A287 N288 I289 N293 F294 G295 I310 M312 F315I151-W291 HydrophobicContact CD1-CE3 4.47Å; M187-W291 HydrophobicContact CB-CZ2 4.11Å; M187-W291 PolarHBondContact O-NE1 3.17Å; D188-W291 VanDerWaalsContact O-CD1 3.23Å; L189-W291 HydrophobicContact CD2-CD2 3.65Å; L189-W291 HydrophobicContact CD2-CE3 4.3Å; L189-W291 HydrophobicContact CD2-CG 4.04Å; L189-W291 HydrophobicContact CD2-CH2 4.12Å; L189-W291 HydrophobicContact CD2-CZ2 3.49Å; L189-W291 VanDerWaalsContact CD2-CZ2 3.49Å; L189-W291 HydrophobicContact CD2-CZ3 4.49Å; L189-W291 HydrophobicContact CG-CZ2 3.94Å; P267-W291 HydrophobicContact CG-CB 4.3Å; A287-W291 HydrophobicContact CB-CB 4.23Å; A287-W291 HydrophobicContact CB-CD2 3.73Å; A287-W291 HydrophobicContact CB-CE3 3.41Å; A287-W291 VanDerWaalsContact CB-CE3 3.41Å; A287-W291 HydrophobicContact CB-CG 4.08Å; A287-W291 HydrophobicContact CB-CZ3 4Å; N288-W291 WeakPolarHBondContact O-CB 3.35Å; N288-W291 PolarHBondContact O-N 2.97Å; N288-W291 VanDerWaalsContact O-N 3.12Å; N288-W291 PolarHBondContact OD1-N 3.06Å; N288-W291 VanDerWaalsContact OD1-N 3.15Å; I289-W291 VanDerWaalsContact C-N 3.26Å; I289-W291 PolarHBondContact O-N 3.07Å; W291-N293 PolarHBondContact O-N 3.32Å; W291-F294 WeakPolarHBondContact O-CA 3.44Å; W291-F294 WeakPolarHBondContact O-CB 3.45Å; W291-F294 PolarHBondContact O-N 3.39Å; W291-G295 PolarHBondContact O-N 3.12Å; W291-I310 HydrophobicContact CH2-CG2 4.44Å; W291-M312 HydrophobicContact CE3-CE 4.44Å; W291-M312 HydrophobicContact CH2-CE 3.57Å; W291-M312 HydrophobicContact CH2-SD 3.66Å; W291-M312 HydrophobicContact CZ2-CE 4Å; W291-M312 HydrophobicContact CZ2-SD 3.97Å; W291-M312 HydrophobicContact CZ3-CE 3.8Å; W291-M312 HydrophobicContact CZ3-SD 4.44Å; W291-F315 HydrophobicContact CH2-CE1 4.38Å; W291-F315 HydrophobicContact CH2-CE2 4.26Å; W291-F315 HydrophobicContact CH2-CZ 4.16Å; W291-F315 AromaticContact CZ3-CD1 3.81Å; W291-F315 HydrophobicContact CZ3-CD1 3.81Å; W291-F315 HydrophobicContact CZ3-CD2 4.38Å; W291-F315 AromaticContact CZ3-CE1 3.7Å; W291-F315 HydrophobicContact CZ3-CE1 3.7Å; W291-F315 HydrophobicContact CZ3-CE2 4.31Å; W291-F315 HydrophobicContact CZ3-CG 4.12Å; W291-F315 AromaticContact CZ3-CZ 3.94Å; W291-F315 HydrophobicContact CZ3-CZ 3.94Å
292I87.6Confident90.6Very high0 Ų037.7 Ų37.70%018%0.181CC..Hα-helixtrans-52.9-38.3-172.3-60.2173.1000111.4I151 I289 R290 F294 G295 M296 M312 F315 V316 F319 L320I151-I292 HydrophobicContact CD1-CD1 3.9Å; I151-I292 HydrophobicContact CD1-CG1 3.88Å; I289-I292 HydrophobicContact CG2-CD1 4.42Å; I289-I292 WeakPolarHBondContact O-CG1 3.41Å; I289-I292 PolarHBondContact O-N 2.9Å; R290-I292 VanDerWaalsContact C-N 3.28Å; R290-I292 PolarHBondContact O-N 2.94Å; I292-F294 PolarHBondContact O-N 3.28Å; I292-G295 PolarHBondContact O-N 2.61Å; I292-M296 HydrophobicContact CG2-CE 4.4Å; I292-M296 WeakPolarHBondContact O-CG 3.42Å; I292-M296 PolarHBondContact O-N 3.05Å; I292-M312 HydrophobicContact CG2-CE 4.12Å; I292-F315 HydrophobicContact CD1-CB 4.36Å; I292-F315 HydrophobicContact CG1-CB 4.35Å; I292-F315 HydrophobicContact CG2-CB 4.35Å; I292-V316 HydrophobicContact CG2-CG2 3.99Å; I292-F319 HydrophobicContact CD1-CB 3.53Å; I292-F319 HydrophobicContact CD1-CD2 4.06Å; I292-F319 HydrophobicContact CD1-CG 4.15Å; I292-L320 HydrophobicContact CB-CD1 4.04Å; I292-L320 HydrophobicContact CD1-CD1 4.36Å; I292-L320 HydrophobicContact CD1-CG 4.23Å; I292-L320 HydrophobicContact CG2-CD1 3.56Å; I292-L320 HydrophobicContact CG2-CG 4.43Å
293N82.6Confident89.8Confident52 Ų5240 Ų4028%0.27820%0.196SC..Hα-helixtrans-65.2-35.1177.1-97.6-50.8000114.4W291 M296 R297W291-N293 PolarHBondContact O-N 3.32Å; N293-M296 WeakPolarHBondContact OD1-CE 3.45Å; N293-R297 PolarHBondContact O-NE 3.25Å; N293-R297 PolarHBondContact OD1-NH2 3.41Å
294F90.5Very high89Confident48 Ų4841.6 Ų41.621%0.21121%0.208CC..Hα-helixtrans-73.6-47.5173.5-69.3-92.5000110.5D188 P267 R290 W291 I292 M296 R297 A298D188-F294 HydrophobicContact CB-CB 4.27Å; P267-F294 HydrophobicContact CB-CB 3.92Å; P267-F294 HydrophobicContact CB-CD1 3.74Å; P267-F294 HydrophobicContact CB-CD2 3.61Å; P267-F294 HydrophobicContact CB-CE1 4.11Å; P267-F294 HydrophobicContact CB-CE2 4Å; P267-F294 HydrophobicContact CB-CG 3.47Å; P267-F294 VanDerWaalsContact CB-CG 3.47Å; P267-F294 HydrophobicContact CB-CZ 4.23Å; P267-F294 HydrophobicContact CG-CD2 4.25Å; P267-F294 HydrophobicContact CG-CG 4.49Å; R290-F294 HydrophobicContact CG-CE2 4.45Å; W291-F294 WeakPolarHBondContact O-CA 3.44Å; W291-F294 WeakPolarHBondContact O-CB 3.45Å; W291-F294 PolarHBondContact O-N 3.39Å; I292-F294 PolarHBondContact O-N 3.28Å; F294-M296 VanDerWaalsContact C-N 3.26Å; F294-M296 PolarHBondContact O-N 3.24Å; F294-R297 CarbonylContact O-C 3.53Å; F294-R297 WeakPolarHBondContact O-CA 3.44Å; F294-R297 PolarHBondContact O-N 3.49Å; F294-A298 PolarHBondContact O-N 3.33Å
295G88Confident87.9Confident3 Ų345.9 Ų45.93%0.03124%0.244CC..Hα-helixtrans-57.5-35.7178.100000113.6M187 W291 I292 R297M187-G295 VanDerWaalsContact CE-O 3.28Å; M187-G295 WeakPolarHBondContact CE-O 3.31Å; M187-G295 WeakPolarHBondContact O-CA 3.31Å; W291-G295 PolarHBondContact O-N 3.12Å; I292-G295 PolarHBondContact O-N 2.61Å; G295-R297 VanDerWaalsContact C-N 3.28Å; G295-R297 PolarHBondContact O-N 2.99Å
296M85.9Confident86.8Confident65 Ų6552.4 Ų52.432%0.3228%0.279SS..THydrogen-bonded Turntrans-67.2-24.5173.9-74.9-167.6-65.300114.4I292 N293 F294 M312 V316I292-M296 HydrophobicContact CG2-CE 4.4Å; I292-M296 WeakPolarHBondContact O-CG 3.42Å; I292-M296 PolarHBondContact O-N 3.05Å; N293-M296 WeakPolarHBondContact OD1-CE 3.45Å; F294-M296 VanDerWaalsContact C-N 3.26Å; F294-M296 PolarHBondContact O-N 3.24Å; M296-M312 HydrophobicContact CG-CB 4.08Å; M296-M312 HydrophobicContact CG-CE 4.32Å; M296-M312 HydrophobicContact CG-CG 4.33Å; M296-V316 HydrophobicContact CE-CG2 4.46Å; M296-V316 HydrophobicContact CG-CG2 4.14Å; M296-V316 HydrophobicContact SD-CG2 3.44Å; M296-V316 WeakPolarHBondContact SD-CG2 3.46Å
297R84.6Confident86.2Confident186 Ų18653.4 Ų53.470%0.70229%0.288SS*.THydrogen-bonded Turntrans-109.1-5.5-174.4-73.6178.8-100.1-174.3-17113.4N293 F294 G295 N299N293-R297 PolarHBondContact O-NE 3.25Å; N293-R297 PolarHBondContact OD1-NH2 3.41Å; F294-R297 CarbonylContact O-C 3.53Å; F294-R297 WeakPolarHBondContact O-CA 3.44Å; F294-R297 PolarHBondContact O-N 3.49Å; G295-R297 VanDerWaalsContact C-N 3.28Å; G295-R297 PolarHBondContact O-N 2.99Å; R297-N299 PolarHBondContact O-N 3.33Å
298A88.6Confident85.8Confident15 Ų1554.6 Ų54.612%0.12430%0.295CS..  trans-56121.4-175.500000110.5D188 F294 L300D188-A298 HydrophobicContact CB-CB 4.42Å; D188-A298 WeakPolarHBondContact OD2-CA 3.3Å; D188-A298 WeakPolarHBondContact OD2-CB 3.34Å; F294-A298 PolarHBondContact O-N 3.33Å; A298-L300 HydrophobicContact CB-CD2 3.9Å; A298-L300 WeakPolarHBondContact O-CG 3.21Å; A298-L300 PolarHBondContact O-N 3.37Å
299N87.1Confident85.5Confident39 Ų3960.5 Ų60.521%0.20932%0.316CS..  trans-75.3113.6174.3178.121.8000108.4S230 A231 R234 R297S230-N299 PolarHBondContact O-ND2 3Å; A231-N299 WeakPolarHBondContact CB-O 3.38Å; R234-N299 VanDerWaalsContact CZ-O 3.3Å; R234-N299 PolarHBondContact NE-O 3.3Å; R234-N299 PolarHBondContact NH2-O 3Å; R297-N299 PolarHBondContact O-N 3.33Å
300L88.7Confident85.5Confident43 Ų4356.8 Ų56.823%0.22530%0.297CS..  trans-100.7149.9-170.8-54.9-177.2000112.3M187 A231 A298 T302 R309M187-L300 HydrophobicContact SD-CD1 3.68Å; M187-L300 HydrophobicContact SD-CD2 3.56Å; M187-L300 VanDerWaalsContact SD-CD2 3.56Å; M187-L300 HydrophobicContact SD-CG 4.26Å; A231-L300 WeakPolarHBondContact CB-O 3.47Å; A298-L300 HydrophobicContact CB-CD2 3.9Å; A298-L300 WeakPolarHBondContact O-CG 3.21Å; A298-L300 PolarHBondContact O-N 3.37Å; L300-T302 PolarHBondContact O-N 2.92Å; L300-R309 HydrophobicContact CD1-CG 4.11Å
301C87.7Confident85.3Confident5 Ų557 Ų573%0.03430%0.303CS..  trans-64.1128.2169.9175.90000109.6R234 H235 C303 A307R234-C301 HydrophobicContact CB-CB 4.41Å; H235-C301 PolarHBondContact NE2-SG 3.37Å; C301-C303 PolarHBondContact SG-N 3.41Å; C301-C303 VanDerWaalsContact SG-N 3.37Å; C301-A307 HydrophobicContact CB-CB 4.1Å
302T82.3Confident85Confident73 Ų7358.1 Ų58.145%0.44831%0.309SS..SBendtrans-102-9.3174.554.80000112.5L300L300-T302 PolarHBondContact O-N 2.92Å
303C80.9Confident84.9Confident47 Ų4759.5 Ų59.532%0.31832%0.323SS..SBendtrans-83.5-22.5-175.6-54.70000114.1A228 C229 C301A228-C303 PolarHBondContact O-SG 3.24Å; C229-C303 WeakPolarHBondContact CB-SG 3.39Å; C229-C303 VanDerWaalsContact SG-SG 3.65Å; C301-C303 PolarHBondContact SG-N 3.41Å; C301-C303 VanDerWaalsContact SG-N 3.37Å
304S80.1Confident85.2Confident47 Ų4758.3 Ų58.333%0.32932%0.318SS..  trans-113.8131179.2-179.80000110.9D306 A307S304-D306 PolarHBondContact O-N 2.98Å; S304-D306 PolarHBondContact OG-N 2.89Å; S304-D306 VanDerWaalsContact OG-N 3.16Å; S304-A307 WeakPolarHBondContact O-CB 3.44Å; S304-A307 PolarHBondContact O-N 2.88Å
305A72.7Confident85.1Confident97 Ų9756.1 Ų56.180%0.80231%0.308SS*.THydrogen-bonded Turntrans-68.3-24171.200000112.3A307A305-A307 VanDerWaalsContact C-N 3.27Å
306D76.1Confident85Confident150 Ų15056.1 Ų56.180%0.80231%0.308SS*.THydrogen-bonded Turntrans-85.3-0.4179.3-59-36.2000112.6S304 V308S304-D306 PolarHBondContact O-N 2.98Å; S304-D306 PolarHBondContact OG-N 2.89Å; S304-D306 VanDerWaalsContact OG-N 3.16Å; D306-V308 PolarHBondContact O-N 2.85Å
307A83.5Confident85Confident25 Ų2558.8 Ų58.821%0.20732%0.318CS..SBendtrans-60.5129.9175.600000110.5C301 S304 A305 R309C301-A307 HydrophobicContact CB-CB 4.1Å; S304-A307 WeakPolarHBondContact O-CB 3.44Å; S304-A307 PolarHBondContact O-N 2.88Å; A305-A307 VanDerWaalsContact C-N 3.27Å; A307-R309 PolarHBondContact O-N 3.39Å
308V86.7Confident85.2Confident26 Ų2657.8 Ų57.816%0.15831%0.314CS..  trans-63.4130.7179.8175.30000109.9I163 V166 D186 D306 I310I163-V308 HydrophobicContact CD1-CG1 4.38Å; I163-V308 HydrophobicContact CG2-CG1 4.13Å; I163-V308 HydrophobicContact CG2-CG2 4.07Å; V166-V308 HydrophobicContact CG2-CG1 4.06Å; V166-V308 HydrophobicContact CG2-CG2 3.84Å; D186-V308 HydrophobicContact CB-CB 3.81Å; D186-V308 HydrophobicContact CB-CG1 3.94Å; D186-V308 HydrophobicContact CB-CG2 4.18Å; D306-V308 PolarHBondContact O-N 2.85Å; V308-I310 HydrophobicContact CG1-CG1 4.41Å
309R88.3Confident85.2Confident141 Ų14159.7 Ų59.753%0.53232%0.319SS..  trans-132.3132.6173.1-61.4-178.7-179.11484.6108.4L300 A307L300-R309 HydrophobicContact CD1-CG 4.11Å; A307-R309 PolarHBondContact O-N 3.39Å
310I88Confident85.1Confident11 Ų1159.3 Ų59.36%0.05632%0.317CS..  trans-117131.3176-64.3174.7000108.3L152 V155 I163 V166 M187 L189 W291 V308 M312 F315L152-I310 HydrophobicContact CD1-CD1 4.06Å; V155-I310 HydrophobicContact CG2-CD1 4.37Å; V155-I310 HydrophobicContact CG2-CG1 4.48Å; V155-I310 HydrophobicContact CG2-CG2 3.73Å; I163-I310 HydrophobicContact CD1-CG1 4.05Å; V166-I310 HydrophobicContact CG1-CD1 4.45Å; M187-I310 HydrophobicContact CB-CD1 4.25Å; M187-I310 HydrophobicContact CE-CB 4.24Å; M187-I310 HydrophobicContact CG-CB 3.95Å; M187-I310 HydrophobicContact CG-CD1 3.85Å; M187-I310 HydrophobicContact CG-CG1 3.82Å; M187-I310 HydrophobicContact SD-CB 4.41Å; L189-I310 HydrophobicContact CD1-CD1 3.94Å; W291-I310 HydrophobicContact CH2-CG2 4.44Å; V308-I310 HydrophobicContact CG1-CG1 4.41Å; I310-M312 HydrophobicContact CG2-SD 4.28Å; I310-M312 PolarHBondContact O-N 2.98Å; I310-F315 HydrophobicContact CG2-CD2 4.4Å; I310-F315 HydrophobicContact CG2-CE2 3.67Å; I310-F315 HydrophobicContact CG2-CZ 4.47Å
311E87.1Confident84.5Confident124 Ų12460.7 Ų60.758%0.57933%0.328SS*.  trans-71.1112.2174.2-165.3-173.4158.700109.8G313 P314E311-G313 VanDerWaalsContact C-N 3.33Å; E311-G313 PolarHBondContact O-N 3.25Å; E311-P314 WeakPolarHBondContact O-CD 3.46Å
312M87.3Confident84Confident24 Ų2466.4 Ų66.412%0.11836%0.359CS..  trans-78.4-17.4-176.5-62.1-55.1-59.800113.4M187 W291 I292 M296 I310 F315 V316M187-M312 HydrophobicContact CE-CG 4.13Å; M187-M312 HydrophobicContact CE-SD 3.87Å; W291-M312 HydrophobicContact CE3-CE 4.44Å; W291-M312 HydrophobicContact CH2-CE 3.57Å; W291-M312 HydrophobicContact CH2-SD 3.66Å; W291-M312 HydrophobicContact CZ2-CE 4Å; W291-M312 HydrophobicContact CZ2-SD 3.97Å; W291-M312 HydrophobicContact CZ3-CE 3.8Å; W291-M312 HydrophobicContact CZ3-SD 4.44Å; I292-M312 HydrophobicContact CG2-CE 4.12Å; M296-M312 HydrophobicContact CG-CB 4.08Å; M296-M312 HydrophobicContact CG-CE 4.32Å; M296-M312 HydrophobicContact CG-CG 4.33Å; I310-M312 HydrophobicContact CG2-SD 4.28Å; I310-M312 PolarHBondContact O-N 2.98Å; M312-F315 HydrophobicContact CE-CB 4.48Å; M312-F315 WeakPolarHBondContact O-CB 3.27Å; M312-F315 PolarHBondContact O-N 3.03Å; M312-F315 VanDerWaalsContact O-N 3.16Å; M312-V316 WeakPolarHBondContact O-CG2 3.29Å; M312-V316 PolarHBondContact O-N 3.36Å
313G85.6Confident83.5Confident29 Ų2966.8 Ų66.830%0.29936%0.355SS..Hα-helixtrans-52.5-52.3-177.400000114E311 F315 V316 K317E311-G313 VanDerWaalsContact C-N 3.33Å; E311-G313 PolarHBondContact O-N 3.25Å; G313-F315 VanDerWaalsContact C-N 3.31Å; G313-F315 PolarHBondContact O-N 3.12Å; G313-V316 PolarHBondContact O-N 3.44Å; G313-K317 WeakPolarHBondContact O-CB 3.47Å; G313-K317 PolarHBondContact O-N 3.25Å
314P88.6Confident82.9Confident27 Ų2767.5 Ų67.518%0.17535%0.352CS..Hα-helixtrans-58.5-36.8176.9-2734.6000114.6L154 T158 E311 R318L154-P314 HydrophobicContact CD2-CB 4.04Å; T158-P314 HydrophobicContact CG2-CB 3.7Å; T158-P314 HydrophobicContact CG2-CG 4.03Å; E311-P314 WeakPolarHBondContact O-CD 3.46Å; P314-R318 VanDerWaalsContact O-CB 3.3Å; P314-R318 WeakPolarHBondContact O-CB 3.21Å; P314-R318 PolarHBondContact O-N 3.03Å
315F89.3Confident82.3Confident1 Ų167.3 Ų67.30%0.00435%0.354CS..Hα-helixtrans-67.2-48.7177.3-72.1-87.7000111.9I151 L152 L154 V155 W291 I292 I310 M312 G313 K317 R318 F319I151-F315 HydrophobicContact CD1-CD1 4.17Å; I151-F315 HydrophobicContact CD1-CE1 4.41Å; I151-F315 HydrophobicContact CG1-CE1 4.29Å; I151-F315 WeakPolarHBondContact O-CE1 3.3Å; L152-F315 HydrophobicContact CD1-CZ 4.33Å; L154-F315 HydrophobicContact CB-CE1 4Å; L154-F315 HydrophobicContact CB-CZ 4.09Å; L154-F315 HydrophobicContact CD2-CD1 3.98Å; L154-F315 HydrophobicContact CD2-CD2 4.39Å; L154-F315 HydrophobicContact CD2-CE1 4.23Å; L154-F315 HydrophobicContact CD2-CG 4.09Å; V155-F315 HydrophobicContact CG2-CE2 3.79Å; V155-F315 HydrophobicContact CG2-CZ 3.68Å; W291-F315 HydrophobicContact CH2-CE1 4.38Å; W291-F315 HydrophobicContact CH2-CE2 4.26Å; W291-F315 HydrophobicContact CH2-CZ 4.16Å; W291-F315 AromaticContact CZ3-CD1 3.81Å; W291-F315 HydrophobicContact CZ3-CD1 3.81Å; W291-F315 HydrophobicContact CZ3-CD2 4.38Å; W291-F315 AromaticContact CZ3-CE1 3.7Å; W291-F315 HydrophobicContact CZ3-CE1 3.7Å; W291-F315 HydrophobicContact CZ3-CE2 4.31Å; W291-F315 HydrophobicContact CZ3-CG 4.12Å; W291-F315 AromaticContact CZ3-CZ 3.94Å; W291-F315 HydrophobicContact CZ3-CZ 3.94Å; I292-F315 HydrophobicContact CD1-CB 4.36Å; I292-F315 HydrophobicContact CG1-CB 4.35Å; I292-F315 HydrophobicContact CG2-CB 4.35Å; I310-F315 HydrophobicContact CG2-CD2 4.4Å; I310-F315 HydrophobicContact CG2-CE2 3.67Å; I310-F315 HydrophobicContact CG2-CZ 4.47Å; M312-F315 HydrophobicContact CE-CB 4.48Å; M312-F315 WeakPolarHBondContact O-CB 3.27Å; M312-F315 PolarHBondContact O-N 3.03Å; M312-F315 VanDerWaalsContact O-N 3.16Å; G313-F315 VanDerWaalsContact C-N 3.31Å; G313-F315 PolarHBondContact O-N 3.12Å; F315-K317 VanDerWaalsContact C-N 3.33Å; F315-K317 PolarHBondContact O-N 3.4Å; F315-R318 PolarHBondContact O-N 3.23Å; F315-F319 HydrophobicContact CD1-CD2 4.24Å; F315-F319 HydrophobicContact CD1-CE2 4.16Å; F315-F319 WeakPolarHBondContact O-CD2 3.33Å; F315-F319 PolarHBondContact O-N 2.88Å
316V85.8Confident82.1Confident3 Ų368.8 Ų68.82%0.01834%0.342CS..Hα-helixtrans-60.8-45.8178.51800000109.7I292 M296 M312 G313 R318 L320 E323 Y324I292-V316 HydrophobicContact CG2-CG2 3.99Å; M296-V316 HydrophobicContact CE-CG2 4.46Å; M296-V316 HydrophobicContact CG-CG2 4.14Å; M296-V316 HydrophobicContact SD-CG2 3.44Å; M296-V316 WeakPolarHBondContact SD-CG2 3.46Å; M312-V316 WeakPolarHBondContact O-CG2 3.29Å; M312-V316 PolarHBondContact O-N 3.36Å; G313-V316 PolarHBondContact O-N 3.44Å; V316-R318 VanDerWaalsContact C-N 3.35Å; V316-R318 PolarHBondContact O-N 3.48Å; V316-L320 HydrophobicContact CG1-CB 4.37Å; V316-L320 CarbonylContact O-C 3.34Å; V316-L320 VanDerWaalsContact O-CA 3.29Å; V316-L320 WeakPolarHBondContact O-CA 3.01Å; V316-L320 PolarHBondContact O-N 2.96Å; V316-L320 VanDerWaalsContact O-O 3.06Å; V316-E323 HydrophobicContact CG1-CB 4.37Å; V316-Y324 HydrophobicContact CG1-CD2 4.29Å
317K86.1Confident81.3Confident122 Ų12267 Ų6753%0.5333%0.327SS..Hα-helixtrans-57.1-45.2176.5-179.1172.7-173.8172.40113G313 F315 Y324G313-K317 WeakPolarHBondContact O-CB 3.47Å; G313-K317 PolarHBondContact O-N 3.25Å; F315-K317 VanDerWaalsContact C-N 3.33Å; F315-K317 PolarHBondContact O-N 3.4Å; K317-Y324 HydrophobicContact CB-CD1 3.95Å; K317-Y324 HydrophobicContact CB-CD2 3.78Å; K317-Y324 HydrophobicContact CB-CE1 3.91Å; K317-Y324 HydrophobicContact CB-CE2 3.79Å; K317-Y324 HydrophobicContact CB-CG 3.88Å; K317-Y324 HydrophobicContact CD-CD1 4.45Å; K317-Y324 HydrophobicContact CD-CE1 3.7Å; K317-Y324 HydrophobicContact CD-CE2 4.43Å; K317-Y324 HydrophobicContact CG-CD1 3.75Å; K317-Y324 HydrophobicContact CG-CD2 4.45Å; K317-Y324 HydrophobicContact CG-CE1 3.5Å; K317-Y324 HydrophobicContact CG-CE2 4.27Å; K317-Y324 HydrophobicContact CG-CG 4.22Å
318R89.2Confident79.9Confident164 Ų16468.7 Ų68.762%0.61933%0.332SS*.Hα-helixtrans-80.8-40.4-172.5-175.8170.6-178.2155.50.4113.3L154 P314 F315 V316L154-R318 HydrophobicContact CD2-CB 4.47Å; P314-R318 VanDerWaalsContact O-CB 3.3Å; P314-R318 WeakPolarHBondContact O-CB 3.21Å; P314-R318 PolarHBondContact O-N 3.03Å; F315-R318 PolarHBondContact O-N 3.23Å; V316-R318 VanDerWaalsContact C-N 3.35Å; V316-R318 PolarHBondContact O-N 3.48Å
319F89Confident78Confident56 Ų5671.6 Ų71.625%0.24635%0.352CS..Hα-helixtrans-112.7-16.8-168.4-59.5-70000113.9I151 L154 I292 F315I151-F319 HydrophobicContact CB-CD2 4.42Å; I151-F319 HydrophobicContact CB-CE1 4.34Å; I151-F319 HydrophobicContact CB-CE2 3.69Å; I151-F319 HydrophobicContact CB-CZ 3.65Å; I151-F319 HydrophobicContact CD1-CD2 4.19Å; I151-F319 HydrophobicContact CD1-CE2 4.27Å; I151-F319 HydrophobicContact CG2-CD1 4.35Å; I151-F319 HydrophobicContact CG2-CE1 3.73Å; I151-F319 HydrophobicContact CG2-CE2 4Å; I151-F319 HydrophobicContact CG2-CZ 3.54Å; L154-F319 HydrophobicContact CD2-CE2 4Å; I292-F319 HydrophobicContact CD1-CB 3.53Å; I292-F319 HydrophobicContact CD1-CD2 4.06Å; I292-F319 HydrophobicContact CD1-CG 4.15Å; F315-F319 HydrophobicContact CD1-CD2 4.24Å; F315-F319 HydrophobicContact CD1-CE2 4.16Å; F315-F319 WeakPolarHBondContact O-CD2 3.33Å; F315-F319 PolarHBondContact O-N 2.88Å
320L84.2Confident76.1Confident31 Ų3170.2 Ų70.216%0.16235%0.347CS..  trans-127.557.7175.9-56.8175.9000110.1I289 I292 V316 D322 E323 Y324I289-L320 HydrophobicContact CG2-CD2 4.2Å; I292-L320 HydrophobicContact CB-CD1 4.04Å; I292-L320 HydrophobicContact CD1-CD1 4.36Å; I292-L320 HydrophobicContact CD1-CG 4.23Å; I292-L320 HydrophobicContact CG2-CD1 3.56Å; I292-L320 HydrophobicContact CG2-CG 4.43Å; V316-L320 HydrophobicContact CG1-CB 4.37Å; V316-L320 CarbonylContact O-C 3.34Å; V316-L320 VanDerWaalsContact O-CA 3.29Å; V316-L320 WeakPolarHBondContact O-CA 3.01Å; V316-L320 PolarHBondContact O-N 2.96Å; V316-L320 VanDerWaalsContact O-O 3.06Å; L320-D322 PolarHBondContact O-N 3.04Å; L320-E323 HydrophobicContact CB-CB 4.08Å; L320-E323 HydrophobicContact CB-CG 4.38Å; L320-E323 PolarHBondContact O-N 3.33Å; L320-Y324 PolarHBondContact O-N 2.79Å
321P75.7Confident73.8Confident71 Ų7176.4 Ų76.446%0.46138%0.376SS..Hα-helixtrans-60.1-31.5-171.225.4-35.1000113Y324 A325P321-Y324 PolarHBondContact O-N 3.33Å; P321-A325 VanDerWaalsContact O-CB 3.29Å; P321-A325 WeakPolarHBondContact O-CB 3.32Å; P321-A325 PolarHBondContact O-N 2.71Å
322D76.8Confident71.4Confident126 Ų12677.3 Ų77.367%0.67439%0.385SS*.Hα-helixtrans-68.4-41.3175.6-62.1-23000111.9L320 Y324 A325 K326L320-D322 PolarHBondContact O-N 3.04Å; D322-Y324 VanDerWaalsContact C-N 3.34Å; D322-A325 PolarHBondContact O-N 3.13Å; D322-K326 VanDerWaalsContact O-CG 3.28Å; D322-K326 WeakPolarHBondContact O-CG 3.29Å; D322-K326 PolarHBondContact O-N 2.77Å
323E73.3Confident69Low80 Ų8078.8 Ų78.837%0.37440%0.401SS..Hα-helixtrans-67.4-37.6172.6-69.3-161.8168.700111.3V316 L320 K326 K327V316-E323 HydrophobicContact CG1-CB 4.37Å; L320-E323 HydrophobicContact CB-CB 4.08Å; L320-E323 HydrophobicContact CB-CG 4.38Å; L320-E323 PolarHBondContact O-N 3.33Å; E323-K326 PolarHBondContact O-N 2.72Å; E323-K327 WeakPolarHBondContact O-CB 3.44Å; E323-K327 PolarHBondContact O-N 2.98Å
324Y68.5Low66.5Low62 Ų6280.3 Ų80.324%0.24342%0.416CS..Hα-helixtrans-63.8-43.6175.1-171.5-112.6000111.9V316 K317 L320 P321 D322 K327 L328V316-Y324 HydrophobicContact CG1-CD2 4.29Å; K317-Y324 HydrophobicContact CB-CD1 3.95Å; K317-Y324 HydrophobicContact CB-CD2 3.78Å; K317-Y324 HydrophobicContact CB-CE1 3.91Å; K317-Y324 HydrophobicContact CB-CE2 3.79Å; K317-Y324 HydrophobicContact CB-CG 3.88Å; K317-Y324 HydrophobicContact CD-CD1 4.45Å; K317-Y324 HydrophobicContact CD-CE1 3.7Å; K317-Y324 HydrophobicContact CD-CE2 4.43Å; K317-Y324 HydrophobicContact CG-CD1 3.75Å; K317-Y324 HydrophobicContact CG-CD2 4.45Å; K317-Y324 HydrophobicContact CG-CE1 3.5Å; K317-Y324 HydrophobicContact CG-CE2 4.27Å; K317-Y324 HydrophobicContact CG-CG 4.22Å; L320-Y324 PolarHBondContact O-N 2.79Å; P321-Y324 PolarHBondContact O-N 3.33Å; D322-Y324 VanDerWaalsContact C-N 3.34Å; Y324-K327 CarbonylContact O-C 3.54Å; Y324-K327 WeakPolarHBondContact O-CA 3.07Å; Y324-K327 WeakPolarHBondContact O-CB 3.37Å; Y324-K327 PolarHBondContact O-N 3.44Å; Y324-K327 VanDerWaalsContact O-N 3.08Å; Y324-L328 HydrophobicContact CD1-CD1 3.65Å; Y324-L328 HydrophobicContact CD1-CG 4.34Å; Y324-L328 HydrophobicContact CE1-CD1 3.24Å; Y324-L328 HydrophobicContact CE1-CG 3.99Å; Y324-L328 PolarHBondContact O-N 3.38Å
325A66Low64Low44 Ų4486.3 Ų86.336%0.36444%0.437SS..Hα-helixtrans-62.8-42.2175.100000111.1P321 D322 K327 L328 C329P321-A325 VanDerWaalsContact O-CB 3.29Å; P321-A325 WeakPolarHBondContact O-CB 3.32Å; P321-A325 PolarHBondContact O-N 2.71Å; D322-A325 PolarHBondContact O-N 3.13Å; A325-K327 VanDerWaalsContact C-N 3.26Å; A325-K327 PolarHBondContact O-N 3.46Å; A325-L328 PolarHBondContact O-N 3.18Å; A325-C329 WeakPolarHBondContact O-CB 3.43Å; A325-C329 PolarHBondContact O-N 2.88Å; A325-C329 PolarHBondContact O-SG 3.05Å
326K68.4Low61.3Low127 Ų12795.1 Ų95.155%0.55248%0.478SS*.Hα-helixtrans-59.4-36.8171.3-73.6172.4-175.9-179.10111.9D322 E323 R330D322-K326 VanDerWaalsContact O-CG 3.28Å; D322-K326 WeakPolarHBondContact O-CG 3.29Å; D322-K326 PolarHBondContact O-N 2.77Å; E323-K326 PolarHBondContact O-N 2.72Å; K326-R330 WeakPolarHBondContact O-CB 3.09Å; K326-R330 WeakPolarHBondContact O-CD 3.32Å; K326-R330 WeakPolarHBondContact O-CG 3.17Å; K326-R330 PolarHBondContact O-N 3.25Å
327K60.8Low58.9Low113 Ų11397.7 Ų97.749%0.49150%0.499SS..Hα-helixtrans-73.6-34.3178-151.1175.9-174.71780112.9E323 Y324 A325 R330 Q331E323-K327 WeakPolarHBondContact O-CB 3.44Å; E323-K327 PolarHBondContact O-N 2.98Å; Y324-K327 CarbonylContact O-C 3.54Å; Y324-K327 WeakPolarHBondContact O-CA 3.07Å; Y324-K327 WeakPolarHBondContact O-CB 3.37Å; Y324-K327 PolarHBondContact O-N 3.44Å; Y324-K327 VanDerWaalsContact O-N 3.08Å; A325-K327 VanDerWaalsContact C-N 3.26Å; A325-K327 PolarHBondContact O-N 3.46Å; K327-R330 WeakPolarHBondContact O-CB 3.44Å; K327-Q331 PolarHBondContact O-N 3.26Å
328L52.9Low56.5Low61 Ų61100.4 Ų100.432%0.31951%0.514SS..Hα-helixtrans-74.7-46.6174.4-80.6171.3000112.7Y324 A325 R330 Q331 D332Y324-L328 HydrophobicContact CD1-CD1 3.65Å; Y324-L328 HydrophobicContact CD1-CG 4.34Å; Y324-L328 HydrophobicContact CE1-CD1 3.24Å; Y324-L328 HydrophobicContact CE1-CG 3.99Å; Y324-L328 PolarHBondContact O-N 3.38Å; A325-L328 PolarHBondContact O-N 3.18Å; L328-R330 PolarHBondContact O-N 2.8Å; L328-R330 VanDerWaalsContact O-N 3.13Å; L328-Q331 WeakPolarHBondContact O-CA 3.28Å; L328-Q331 WeakPolarHBondContact O-CB 3.47Å; L328-Q331 PolarHBondContact O-N 3.17Å; L328-D332 PolarHBondContact O-N 3.08Å
329C46.9Very low54.2Low86 Ų86101.4 Ų101.458%0.58152%0.523SS*.Hα-helixtrans-59-28.7174.6-66.50000111.3A325 A333A325-C329 WeakPolarHBondContact O-CB 3.43Å; A325-C329 PolarHBondContact O-N 2.88Å; A325-C329 PolarHBondContact O-SG 3.05Å; C329-A333 VanDerWaalsContact O-CB 3.28Å; C329-A333 WeakPolarHBondContact O-CB 3.4Å; C329-A333 PolarHBondContact O-N 3.46Å; C329-A333 VanDerWaalsContact O-N 3.14Å
330R48.1Very low51.9Low112 Ų112100.4 Ų100.442%0.42352%0.522SS..Hα-helixtrans-68.7-37.6170.6-92177-167.2-162.33.4112.8K326 K327 L328 Q401K326-R330 WeakPolarHBondContact O-CB 3.09Å; K326-R330 WeakPolarHBondContact O-CD 3.32Å; K326-R330 WeakPolarHBondContact O-CG 3.17Å; K326-R330 PolarHBondContact O-N 3.25Å; K327-R330 WeakPolarHBondContact O-CB 3.44Å; L328-R330 PolarHBondContact O-N 2.8Å; L328-R330 VanDerWaalsContact O-N 3.13Å; R330-Q401 VanDerWaalsContact C-NE2 3.27Å; R330-Q401 PolarHBondContact O-NE2 3.4Å
331Q41.2Very low50.3Low141 Ų141102 Ų10266%0.65953%0.534SS*.Hα-helixtrans-73.4-35.2175.7-76.1179.5-25.100112.7K327 L328K327-Q331 PolarHBondContact O-N 3.26Å; L328-Q331 WeakPolarHBondContact O-CA 3.28Å; L328-Q331 WeakPolarHBondContact O-CB 3.47Å; L328-Q331 PolarHBondContact O-N 3.17Å
332D36.6Very low49.1Very low143 Ų143108.3 Ų108.377%0.76556%0.557SS**Hα-helixtrans-79.5-18.3177.9-70.4-29.5000113.6L328 G334L328-D332 PolarHBondContact O-N 3.08Å; D332-G334 PolarHBondContact O-N 2.92Å; D332-G334 VanDerWaalsContact O-N 3.15Å
333A36.7Very low48Very low56 Ų56106.5 Ų106.546%0.46355%0.548SS..THydrogen-bonded Turntrans-80.523.7172.600000113.6C329 Y335C329-A333 VanDerWaalsContact O-CB 3.28Å; C329-A333 WeakPolarHBondContact O-CB 3.4Å; C329-A333 PolarHBondContact O-N 3.46Å; C329-A333 VanDerWaalsContact O-N 3.14Å; A333-Y335 PolarHBondContact O-N 3.04Å
334G33Very low47Very low60 Ų60102.8 Ų102.862%0.61953%0.531SS*.  trans-62.6100.2177.700000111.7D332 E336D332-G334 PolarHBondContact O-N 2.92Å; D332-G334 VanDerWaalsContact O-N 3.15Å; G334-E336 PolarHBondContact O-N 2.94Å
335Y35.8Very low46.3Very low153 Ų153103.7 Ų103.760%0.654%0.537SS*.  trans-63.3113.5162-169.5-96.9000108.1A333 A337A333-Y335 PolarHBondContact O-N 3.04Å; Y335-A337 VanDerWaalsContact C-N 3.27Å; Y335-A337 HydrophobicContact CD1-CB 4.34Å; Y335-A337 PolarHBondContact O-N 3.35Å
336E31.8Very low45.7Very low186 Ų186107.1 Ų107.187%0.86955%0.55SS*.  trans-64.594161.2-78.5-172.5159.500107.1G334 E338G334-E336 PolarHBondContact O-N 2.94Å; E336-E338 PolarHBondContact O-N 3.01Å
337A35.6Very low45.1Very low57 Ų57103.7 Ų103.747%0.47154%0.537SS..  trans-58.9121.8162.700000106.8Y335 K339Y335-A337 VanDerWaalsContact C-N 3.27Å; Y335-A337 HydrophobicContact CD1-CB 4.34Å; Y335-A337 PolarHBondContact O-N 3.35Å; A337-K339 PolarHBondContact O-N 3.35Å
338E36.3Very low44.7Very low180 Ų18099.8 Ų99.884%0.84152%0.523SS*.  trans-45.7121171-81.8-176.4153.800108.3E336E336-E338 PolarHBondContact O-N 3.01Å
339K39.8Very low44.6Very low184 Ų184102.5 Ų102.580%0.853%0.534SS*.PPolyproline II helixtrans-50.1127.7175.8-112179.2177.3178.40107.7A337A337-K339 PolarHBondContact O-N 3.35Å
340P41.2Very low44.9Very low36 Ų36103.6 Ų103.623%0.23453%0.531CS..PPolyproline II helixtrans-53.9139.5175.2-19.128.2000108.8A344 L376P340-A344 HydrophobicContact CB-CB 3.7Å; P340-L376 HydrophobicContact CG-CD1 4.12Å
341P50.7Low44.7Very low65 Ų65103.7 Ų103.742%0.42255%0.546SS..PPolyproline II helixtrans-58.2149.9175.926.5-34.3000110D343 A344P341-D343 VanDerWaalsContact CB-OD1 3.27Å; P341-D343 WeakPolarHBondContact CB-OD1 3.25Å; P341-D343 WeakPolarHBondContact CG-OD1 3.46Å; P341-D343 PolarHBondContact O-N 2.7Å; P341-A344 WeakPolarHBondContact O-CB 3.34Å; P341-A344 PolarHBondContact O-N 2.87Å
342E51.4Low44.9Very low202 Ų202100.1 Ų100.194%0.94453%0.528SS*.THydrogen-bonded Turntrans-56.2-20.6-171.6-71.9-178.4161.200114
343D53.8Low45.4Very low88 Ų8896.6 Ų96.647%0.47151%0.51SS..THydrogen-bonded Turntrans-87.3-3.9177.265.1-25.7000114.7P341 E345 N346 I347P341-D343 VanDerWaalsContact CB-OD1 3.27Å; P341-D343 WeakPolarHBondContact CB-OD1 3.25Å; P341-D343 WeakPolarHBondContact CG-OD1 3.46Å; P341-D343 PolarHBondContact O-N 2.7Å; D343-E345 PolarHBondContact O-N 3.04Å; D343-N346 WeakPolarHBondContact O-CB 3.46Å; D343-N346 PolarHBondContact O-N 2.89Å; D343-N346 VanDerWaalsContact O-N 3.08Å; D343-I347 PolarHBondContact O-N 3.45Å
344A51.7Low45.7Very low2 Ų295.9 Ų95.92%0.01751%0.508CS..Hα-helixtrans-59-31.1-178.800000113.3P340 P341 I347 C348 I369 F373P340-A344 HydrophobicContact CB-CB 3.7Å; P341-A344 WeakPolarHBondContact O-CB 3.34Å; P341-A344 PolarHBondContact O-N 2.87Å; A344-I347 PolarHBondContact O-N 3.39Å; A344-C348 PolarHBondContact O-N 3.32Å; A344-C348 VanDerWaalsContact O-N 3.12Å; A344-C348 PolarHBondContact O-SG 3.48Å; A344-I369 HydrophobicContact CB-CG2 3.56Å; A344-F373 HydrophobicContact CB-CD2 4.34Å
345E52.9Low46.2Very low82 Ų8297.1 Ų97.138%0.38351%0.506SS..Hα-helixtrans-64.6-42.1176.3-168.7155.6-128.100111.6D343 I347 C348 E349 F373 R395D343-E345 PolarHBondContact O-N 3.04Å; E345-I347 VanDerWaalsContact C-N 3.29Å; E345-I347 PolarHBondContact O-N 3.36Å; E345-C348 PolarHBondContact O-N 3.27Å; E345-C348 VanDerWaalsContact O-N 3.11Å; E345-E349 HydrophobicContact CG-CG 4.27Å; E345-E349 WeakPolarHBondContact O-CB 3.46Å; E345-E349 WeakPolarHBondContact O-CG 3.48Å; E345-E349 PolarHBondContact O-N 3.5Å; E345-F373 HydrophobicContact CB-CE2 3.83Å; E345-F373 HydrophobicContact CB-CZ 4.25Å; E345-F373 HydrophobicContact CG-CE2 4.06Å; E345-F373 HydrophobicContact CG-CZ 4.06Å; E345-R395 IonicContact OE1-CZ 2.9Å; E345-R395 IonicContact OE1-NH1 3.15Å; E345-R395 PolarHBondContact OE1-NH1 3.1Å; E345-R395 IonicContact OE1-NH2 2.83Å; E345-R395 PolarHBondContact OE1-NH2 2.86Å
346N54.2Low46.7Very low116 Ų11694.9 Ų94.962%0.6251%0.505SS*.Hα-helixtrans-65.4-32.1176.6-72-36.6000112.6D343 Q350D343-N346 WeakPolarHBondContact O-CB 3.46Å; D343-N346 PolarHBondContact O-N 2.89Å; D343-N346 VanDerWaalsContact O-N 3.08Å; N346-Q350 WeakPolarHBondContact O-CG 3.49Å
347I56.7Low47.7Very low55 Ų5591.5 Ų91.528%0.28249%0.489SS..Hα-helixtrans-69.9-35.8175-61172.9000110.6D343 A344 E345 I369D343-I347 PolarHBondContact O-N 3.45Å; A344-I347 PolarHBondContact O-N 3.39Å; E345-I347 VanDerWaalsContact C-N 3.29Å; E345-I347 PolarHBondContact O-N 3.36Å; I347-I369 HydrophobicContact CD1-CD1 4.49Å; I347-I369 HydrophobicContact CD1-CG2 4.3Å
348C51.3Low48.6Very low30 Ų3095.9 Ų95.920%0.20350%0.5CS..Hα-helixtrans-84.3-28.4-176.8-64.50000113.8A344 E345 F373A344-C348 PolarHBondContact O-N 3.32Å; A344-C348 VanDerWaalsContact O-N 3.12Å; A344-C348 PolarHBondContact O-SG 3.48Å; E345-C348 PolarHBondContact O-N 3.27Å; E345-C348 VanDerWaalsContact O-N 3.11Å; C348-F373 HydrophobicContact CB-CD1 3.64Å; C348-F373 HydrophobicContact CB-CE1 3.44Å; C348-F373 VanDerWaalsContact CB-CE1 3.44Å; C348-F373 HydrophobicContact CB-CG 4.26Å; C348-F373 HydrophobicContact CB-CZ 3.9Å; C348-F373 WeakPolarHBondContact SG-CD1 3.41Å; C348-F373 VanDerWaalsContact SG-CG 3.57Å
349E50.7Low49.5Very low119 Ų11988.8 Ų88.856%0.55647%0.469SS*.SBendtrans-1015.7-174.3-65.4-163.5166.200114.9E345 P351 R395E345-E349 HydrophobicContact CG-CG 4.27Å; E345-E349 WeakPolarHBondContact O-CB 3.46Å; E345-E349 WeakPolarHBondContact O-CG 3.48Å; E345-E349 PolarHBondContact O-N 3.5Å; E349-P351 WeakPolarHBondContact O-CD 3.46Å; E349-R395 IonicContact OE1-NH2 2.88Å
350Q52.5Low50.6Low109 Ų10986.7 Ų86.751%0.50946%0.456SS..  trans-52.3121.3177.3-65.4-159.3-20.900110.5N346 F352 R360N346-Q350 WeakPolarHBondContact O-CG 3.49Å; Q350-F352 PolarHBondContact O-N 3.31Å; Q350-R360 VanDerWaalsContact OE1-NH1 3.09Å
351P44.1Very low51.9Low113 Ų11390 Ų9073%0.73447%0.471SS*.  trans-53.4135.3175.8-22.730.5000109.3E349 D353E349-P351 WeakPolarHBondContact O-CD 3.46Å; P351-D353 PolarHBondContact O-N 3.35Å
352F45.5Very low53Low67 Ų6787.5 Ų87.529%0.29445%0.454SS..  trans-62.7101.4172.9-175.9-96.6000108.4Q350 G354 Y555 C556 K582Q350-F352 PolarHBondContact O-N 3.31Å; F352-G354 PolarHBondContact O-N 3.16Å; F352-Y555 WeakPolarHBondContact CE1-O 3.45Å; F352-C556 HydrophobicContact CZ-CB 3.85Å; F352-K582 HydrophobicContact CD2-CD 4.48Å
353D46.8Very low54.5Low69 Ų6980.9 Ų80.937%0.36943%0.429SS..  trans-67.6113.4167.792.661.2000106.3P351 S355 N356P351-D353 PolarHBondContact O-N 3.35Å; D353-S355 VanDerWaalsContact CG-OG 3.32Å; D353-S355 PolarHBondContact O-N 2.79Å; D353-S355 VanDerWaalsContact O-N 3.1Å; D353-S355 WeakPolarHBondContact OD1-CA 3.39Å; D353-S355 WeakPolarHBondContact OD1-CB 3.43Å; D353-S355 PolarHBondContact OD1-N 2.82Å; D353-S355 PolarHBondContact OD1-OG 2.65Å; D353-N356 WeakPolarHBondContact OD1-CB 3.2Å; D353-N356 PolarHBondContact OD1-N 2.61Å; D353-N356 PolarHBondContact OD1-ND2 2.92Å; D353-N356 PolarHBondContact OD2-ND2 3.05Å
354G42.9Very low56.1Low41 Ų4177.5 Ų77.542%0.42341%0.41SS..THydrogen-bonded Turntrans-68.61.3176.200000113.2F352F352-G354 PolarHBondContact O-N 3.16Å
355S44.7Very low57.7Low85 Ų8585.2 Ų85.259%0.59444%0.443SS*.THydrogen-bonded Turntrans-86.2-22.5-177.835.30000113.4D353 H357D353-S355 VanDerWaalsContact CG-OG 3.32Å; D353-S355 PolarHBondContact O-N 2.79Å; D353-S355 VanDerWaalsContact O-N 3.1Å; D353-S355 WeakPolarHBondContact OD1-CA 3.39Å; D353-S355 WeakPolarHBondContact OD1-CB 3.43Å; D353-S355 PolarHBondContact OD1-N 2.82Å; D353-S355 PolarHBondContact OD1-OG 2.65Å; S355-H357 PolarHBondContact O-CE1 3.02Å; S355-H357 PolarHBondContact O-N 3.21Å; S355-H357 PolarHBondContact O-ND1 2.69Å
356N46.9Very low59.3Low106 Ų10684.5 Ų84.557%0.56744%0.44SS*.  trans-85.596.2179.2-88-42.9000111.7D353 Q358D353-N356 WeakPolarHBondContact OD1-CB 3.2Å; D353-N356 PolarHBondContact OD1-N 2.61Å; D353-N356 PolarHBondContact OD1-ND2 2.92Å; D353-N356 PolarHBondContact OD2-ND2 3.05Å; N356-Q358 PolarHBondContact O-N 3.37Å
357H51.7Low60.8Low116 Ų11679 Ų7954%0.53741%0.41SS..  trans-71.113.4-170.7-69.818.5000115.6S355S355-H357 PolarHBondContact O-CE1 3.02Å; S355-H357 PolarHBondContact O-N 3.21Å; S355-H357 PolarHBondContact O-ND1 2.69Å
358Q54.4Low62.4Low149 Ų14979.1 Ų79.170%0.69641%0.409SS*.SBendtrans-137.4146.6-178-71.2-169-10.800112.5N356 R360N356-Q358 PolarHBondContact O-N 3.37Å; Q358-R360 PolarHBondContact O-N 2.8Å
359P55.9Low64.1Low30 Ų3079.3 Ų79.320%0.19541%0.407CS..  trans-56.7113.4172.822.5-31.6000110.1I361P359-I361 PolarHBondContact O-N 2.72Å
360R63.5Low65.8Low141 Ų14175.2 Ų75.253%0.53239%0.387SS..  trans-64.5119.5-176.2-173.3173.7173.2-176.9-4.5109.8Q350 Q358 V362Q350-R360 VanDerWaalsContact OE1-NH1 3.09Å; Q358-R360 PolarHBondContact O-N 2.8Å; R360-V362 PolarHBondContact O-N 2.95Å
361I68.2Low67.6Low106 Ų10670.2 Ų70.254%0.54436%0.364SS..  trans-75111.1168-56.3-173.2000107.2P359 V494 H496P359-I361 PolarHBondContact O-N 2.72Å; I361-V494 HydrophobicContact CG2-CG1 4.16Å; I361-H496 VanDerWaalsContact CG1-CE1 3.48Å; I361-H496 WeakPolarHBondContact CG1-CE1 3.47Å
362V73.3Confident69.8Low12 Ų1265.6 Ų65.67%0.07334%0.335CS..  trans-88.9123.6174.6-177.10000108.3R360 E366 E367 S503R360-V362 PolarHBondContact O-N 2.95Å; V362-E366 HydrophobicContact CG1-CB 3.56Å; V362-E367 HydrophobicContact CG1-CB 4.44Å; V362-S503 PolarHBondContact N-OG 3.39Å; V362-S503 PolarHBondContact O-OG 2.74Å
363P83.9Confident71.8Confident62 Ų6263.3 Ų63.340%0.40333%0.325SS..  trans-54.8146.2171.9-24.633.7000111.8K365 E366 E367P363-K365 PolarHBondContact O-N 2.88Å; P363-K365 VanDerWaalsContact O-N 3.14Å; P363-E366 PolarHBondContact O-N 2.82Å; P363-E367 PolarHBondContact O-N 2.93Å
364F86.1Confident73.7Confident18 Ų1861.2 Ų61.28%0.07931%0.314CS..Hα-helixtrans-57.6-35-175.3-166.8-99.6000113.3E367 K368 V457 C458 E492 V494F364-E367 WeakPolarHBondContact O-CB 3.36Å; F364-E367 PolarHBondContact O-N 3.39Å; F364-K368 HydrophobicContact CD1-CD 4.11Å; F364-K368 HydrophobicContact CD1-CG 4.22Å; F364-K368 HydrophobicContact CE1-CD 3.75Å; F364-K368 HydrophobicContact CE1-CG 3.89Å; F364-K368 PolarHBondContact O-N 3.41Å; F364-V457 HydrophobicContact CE1-CG1 4.13Å; F364-V457 HydrophobicContact CZ-CG1 3.94Å; F364-C458 HydrophobicContact CE2-CB 4.13Å; F364-C458 HydrophobicContact CZ-CB 3.72Å; F364-E492 WeakPolarHBondContact CB-O 3.01Å; F364-E492 HydrophobicContact CD1-CB 3.6Å; F364-E492 HydrophobicContact CD1-CG 4.07Å; F364-E492 WeakPolarHBondContact CD2-O 3.45Å; F364-E492 HydrophobicContact CE1-CB 3.54Å; F364-E492 HydrophobicContact CE1-CG 3.61Å; F364-E492 HydrophobicContact CG-CB 4.23Å; F364-E492 WeakPolarHBondContact CG-O 3.09Å; F364-E492 HydrophobicContact CZ-CB 4.13Å; F364-E492 HydrophobicContact CZ-CG 4.31Å; F364-V494 HydrophobicContact CB-CG2 3.82Å
365K86.6Confident76Confident164 Ų16459.5 Ų59.571%0.71330%0.295SS*.Hα-helixtrans-62.1-45.3175.9-171.2179179.7-177.40112.3P363 E367 K368 I369P363-K365 PolarHBondContact O-N 2.88Å; P363-K365 VanDerWaalsContact O-N 3.14Å; K365-E367 VanDerWaalsContact C-N 3.29Å; K365-E367 PolarHBondContact O-N 2.89Å; K365-K368 PolarHBondContact O-N 2.82Å; K365-I369 WeakPolarHBondContact O-CG1 3.37Å; K365-I369 PolarHBondContact O-N 3.25Å
366E84.7Confident78.2Confident66 Ų6656.8 Ų56.831%0.30827%0.274SS..Hα-helixtrans-66-35.6175.5-71.5176.3-151.600111.2V362 P363 I369 R370V362-E366 HydrophobicContact CG1-CB 3.56Å; P363-E366 PolarHBondContact O-N 2.82Å; E366-I369 PolarHBondContact O-N 2.62Å; E366-R370 WeakPolarHBondContact O-CB 3.3Å; E366-R370 PolarHBondContact O-N 2.91Å
367E86.5Confident80Confident0 Ų052.2 Ų52.20%025%0.25CS..Hα-helixtrans-61.8-44.8174.8-165.7-165.3136.800112.1V362 P363 F364 K365 I369 R370 N371 R486 G504V362-E367 HydrophobicContact CG1-CB 4.44Å; P363-E367 PolarHBondContact O-N 2.93Å; F364-E367 WeakPolarHBondContact O-CB 3.36Å; F364-E367 PolarHBondContact O-N 3.39Å; K365-E367 VanDerWaalsContact C-N 3.29Å; K365-E367 PolarHBondContact O-N 2.89Å; E367-I369 VanDerWaalsContact C-N 3.33Å; E367-I369 PolarHBondContact O-N 3.09Å; E367-R370 PolarHBondContact O-N 3.17Å; E367-N371 WeakPolarHBondContact O-CB 3.39Å; E367-N371 VanDerWaalsContact O-CG 3.27Å; E367-N371 PolarHBondContact O-N 2.85Å; E367-N371 PolarHBondContact O-ND2 3.17Å; E367-N371 PolarHBondContact OE1-ND2 3.44Å; E367-R486 VanDerWaalsContact CD-NH1 3.26Å; E367-R486 IonicContact OE1-CZ 2.67Å; E367-R486 IonicContact OE1-NH1 3.19Å; E367-R486 PolarHBondContact OE1-NH1 3Å; E367-R486 IonicContact OE1-NH2 3.86Å; E367-R486 PolarHBondContact OE1-NH2 2.55Å; E367-R486 IonicContact OE2-CZ 3.85Å; E367-R486 IonicContact OE2-NH1 3.79Å; E367-R486 PolarHBondContact OE2-NH1 3.49Å; E367-R486 IonicContact OE2-NH2 3.82Å; E367-G504 WeakPolarHBondContact OE2-CA 3.44Å
368K89.7Confident81.6Confident59 Ų5950.7 Ų50.726%0.25724%0.243SC..Hα-helixtrans-57.9-45.2176.2-81.4-175.673.61510112.2F364 K365 N371 A372 V457F364-K368 HydrophobicContact CD1-CD 4.11Å; F364-K368 HydrophobicContact CD1-CG 4.22Å; F364-K368 HydrophobicContact CE1-CD 3.75Å; F364-K368 HydrophobicContact CE1-CG 3.89Å; F364-K368 PolarHBondContact O-N 3.41Å; K365-K368 PolarHBondContact O-N 2.82Å; K368-N371 PolarHBondContact O-N 2.85Å; K368-A372 WeakPolarHBondContact O-CB 3.3Å; K368-A372 PolarHBondContact O-N 2.83Å; K368-V457 WeakPolarHBondContact CD-O 3.28Å; K368-V457 WeakPolarHBondContact CE-O 3.2Å; K368-V457 WeakPolarHBondContact CG-O 3.24Å; K368-V457 PolarHBondContact NZ-O 2.81Å
369I87.6Confident83.2Confident34 Ų3444 Ų4417%0.17421%0.213CC..Hα-helixtrans-63.7-47.1179.4-65166.5000109.6A344 I347 K365 E366 E367 N371 A372 F373A344-I369 HydrophobicContact CB-CG2 3.56Å; I347-I369 HydrophobicContact CD1-CD1 4.49Å; I347-I369 HydrophobicContact CD1-CG2 4.3Å; K365-I369 WeakPolarHBondContact O-CG1 3.37Å; K365-I369 PolarHBondContact O-N 3.25Å; E366-I369 PolarHBondContact O-N 2.62Å; E367-I369 VanDerWaalsContact C-N 3.33Å; E367-I369 PolarHBondContact O-N 3.09Å; I369-N371 PolarHBondContact O-N 3.27Å; I369-A372 PolarHBondContact O-N 2.99Å; I369-F373 WeakPolarHBondContact O-CB 3.49Å; I369-F373 PolarHBondContact O-N 3.12Å
370R85.8Confident84.9Confident32 Ų3242.7 Ų42.712%0.12120%0.204CC..Hα-helixtrans-60.8-44.7178.2-171.4-179.776-161.210.6112.2E366 E367 F373 L374 S503 G504 E505E366-R370 WeakPolarHBondContact O-CB 3.3Å; E366-R370 PolarHBondContact O-N 2.91Å; E367-R370 PolarHBondContact O-N 3.17Å; R370-F373 PolarHBondContact O-N 3.34Å; R370-L374 HydrophobicContact CG-CD1 4.14Å; R370-L374 WeakPolarHBondContact O-CB 3.16Å; R370-L374 VanDerWaalsContact O-CG 3.3Å; R370-L374 WeakPolarHBondContact O-CG 3.35Å; R370-L374 PolarHBondContact O-N 3.24Å; R370-S503 PolarHBondContact NH2-O 3.19Å; R370-G504 PolarHBondContact NH2-O 2.97Å; R370-E505 VanDerWaalsContact NH2-N 3.19Å
371N90.7Very high86.3Confident5 Ų536 Ų363%0.02718%0.179CC..Hα-helixtrans-65.6-41.7178.9-72.2-17.1000111.6E367 K368 I369 F373 L374 A375 C458 N459 V460E367-N371 WeakPolarHBondContact O-CB 3.39Å; E367-N371 VanDerWaalsContact O-CG 3.27Å; E367-N371 PolarHBondContact O-N 2.85Å; E367-N371 PolarHBondContact O-ND2 3.17Å; E367-N371 PolarHBondContact OE1-ND2 3.44Å; K368-N371 PolarHBondContact O-N 2.85Å; I369-N371 PolarHBondContact O-N 3.27Å; N371-F373 VanDerWaalsContact C-N 3.35Å; N371-F373 PolarHBondContact O-N 2.89Å; N371-L374 PolarHBondContact O-N 3.4Å; N371-A375 VanDerWaalsContact O-CB 3.26Å; N371-A375 WeakPolarHBondContact O-CB 3.4Å; N371-A375 PolarHBondContact O-N 3.05Å; N371-C458 WeakPolarHBondContact CB-O 3.41Å; N371-C458 PolarHBondContact ND2-O 2.77Å; N371-N459 CarbonylContact C-O 3.6Å; N371-N459 HydrophobicContact CB-CB 4.2Å; N371-V460 HydrophobicContact CB-CB 4.49Å
372A89.8Confident87.5Confident16 Ų1632.2 Ų32.213%0.13216%0.163CC..Hα-helixtrans-62.6-41.1175.800000112.3K368 I369 A375 N459K368-A372 WeakPolarHBondContact O-CB 3.3Å; K368-A372 PolarHBondContact O-N 2.83Å; I369-A372 PolarHBondContact O-N 2.99Å; A372-A375 WeakPolarHBondContact O-CB 3.33Å; A372-A375 PolarHBondContact O-N 3.42Å; A372-N459 HydrophobicContact CB-CB 4.04Å
373F88Confident88.4Confident19 Ų1931.7 Ų31.78%0.08316%0.16CC..Hα-helixtrans-63.5-48.2174.9176.6-90.5000112.1A344 E345 C348 I369 R370 N371 A375 L376 T377A344-F373 HydrophobicContact CB-CD2 4.34Å; E345-F373 HydrophobicContact CB-CE2 3.83Å; E345-F373 HydrophobicContact CB-CZ 4.25Å; E345-F373 HydrophobicContact CG-CE2 4.06Å; E345-F373 HydrophobicContact CG-CZ 4.06Å; C348-F373 HydrophobicContact CB-CD1 3.64Å; C348-F373 HydrophobicContact CB-CE1 3.44Å; C348-F373 VanDerWaalsContact CB-CE1 3.44Å; C348-F373 HydrophobicContact CB-CG 4.26Å; C348-F373 HydrophobicContact CB-CZ 3.9Å; C348-F373 WeakPolarHBondContact SG-CD1 3.41Å; C348-F373 VanDerWaalsContact SG-CG 3.57Å; I369-F373 WeakPolarHBondContact O-CB 3.49Å; I369-F373 PolarHBondContact O-N 3.12Å; R370-F373 PolarHBondContact O-N 3.34Å; N371-F373 VanDerWaalsContact C-N 3.35Å; N371-F373 PolarHBondContact O-N 2.89Å; F373-A375 VanDerWaalsContact C-N 3.28Å; F373-A375 PolarHBondContact O-N 3.48Å; F373-L376 PolarHBondContact O-N 3.02Å; F373-T377 PolarHBondContact O-OG1 3.04Å
374L86.8Confident88.7Confident25 Ų2528.8 Ų28.813%0.13114%0.141CC..Hα-helixtrans-64.3-35.3177.6-70.4176.5000111.3R370 N371 L376 T377 Q385 W581R370-L374 HydrophobicContact CG-CD1 4.14Å; R370-L374 WeakPolarHBondContact O-CB 3.16Å; R370-L374 VanDerWaalsContact O-CG 3.3Å; R370-L374 WeakPolarHBondContact O-CG 3.35Å; R370-L374 PolarHBondContact O-N 3.24Å; N371-L374 PolarHBondContact O-N 3.4Å; L374-L376 PolarHBondContact O-N 3.17Å; L374-L376 VanDerWaalsContact O-N 3.1Å; L374-T377 WeakPolarHBondContact O-CB 3.23Å; L374-T377 PolarHBondContact O-N 3.33Å; L374-Q385 PolarHBondContact O-NE2 3.11Å; L374-W581 HydrophobicContact CD1-CH2 4.02Å; L374-W581 HydrophobicContact CD2-CH2 3.96Å
375A91.5Very high88.8Confident4 Ų428.3 Ų28.33%0.03314%0.139CC..Hα-helixtrans-58.1-25.4177.500000113.6N371 A372 F373 H380 V399 V461N371-A375 VanDerWaalsContact O-CB 3.26Å; N371-A375 WeakPolarHBondContact O-CB 3.4Å; N371-A375 PolarHBondContact O-N 3.05Å; A372-A375 WeakPolarHBondContact O-CB 3.33Å; A372-A375 PolarHBondContact O-N 3.42Å; F373-A375 VanDerWaalsContact C-N 3.28Å; F373-A375 PolarHBondContact O-N 3.48Å; A375-H380 WeakPolarHBondContact O-CB 3.33Å; A375-H380 PolarHBondContact O-ND1 3.33Å; A375-V399 HydrophobicContact CB-CG2 3.7Å; A375-V461 HydrophobicContact CB-CB 3.93Å; A375-V461 HydrophobicContact CB-CG2 3.44Å; A375-V461 VanDerWaalsContact CB-CG2 3.44Å
376L90.3Very high88.8Confident28 Ų2821 Ų2115%0.14711%0.108CC..THydrogen-bonded Turntrans-87.2-3.5176.8-61.9179.4000113.7P340 F373 L374 R395 T396 V399P340-L376 HydrophobicContact CG-CD1 4.12Å; F373-L376 PolarHBondContact O-N 3.02Å; L374-L376 PolarHBondContact O-N 3.17Å; L374-L376 VanDerWaalsContact O-N 3.1Å; L376-R395 CarbonylContact O-C 3.59Å; L376-R395 VanDerWaalsContact O-CA 3.28Å; L376-R395 WeakPolarHBondContact O-CA 3.4Å; L376-T396 PolarHBondContact O-N 3.05Å; L376-T396 PolarHBondContact O-OG1 3.04Å; L376-V399 HydrophobicContact CD2-CG2 3.92Å
377T85.9Confident88.8Confident11 Ų1119.3 Ų19.37%0.06710%0.099CC..BIsolated β-bridgetrans-102.7119.4-177.2-55.80000110F373 L374 H380 Q385 A393F373-T377 PolarHBondContact O-OG1 3.04Å; L374-T377 WeakPolarHBondContact O-CB 3.23Å; L374-T377 PolarHBondContact O-N 3.33Å; T377-H380 WeakPolarHBondContact O-CA 3.41Å; T377-H380 PolarHBondContact O-N 3.31Å; T377-Q385 PolarHBondContact O-NE2 3.27Å; T377-A393 HydrophobicContact CG2-CB 3.41Å; T377-A393 VanDerWaalsContact CG2-CB 3.41Å
378E83.7Confident88.2Confident83 Ų8320.9 Ų20.939%0.38811%0.109SC..THydrogen-bonded Turntrans-55.2137177.2-83.3-176.8-173.600111.4H380 A393 K394E378-H380 WeakPolarHBondContact CG-NE2 3.49Å; E378-A393 WeakPolarHBondContact O-CB 3.38Å; E378-K394 PolarHBondContact N-O 3.12Å
379P88.5Confident87.2Confident9 Ų919.4 Ų19.46%0.05811%0.106CC..THydrogen-bonded Turncis-90.626.27.838.1-38.9000114.2C381 C384 Q385 V388 S403 R404 I406P379-C381 PolarHBondContact O-N 3.46Å; P379-C384 HydrophobicContact CB-CB 4.4Å; P379-C384 HydrophobicContact CG-CB 3.56Å; P379-Q385 HydrophobicContact CG-CG 4.42Å; P379-V388 HydrophobicContact CG-CG2 4.17Å; P379-S403 PolarHBondContact O-OG 3.47Å; P379-R404 WeakPolarHBondContact CB-O 3.45Å; P379-I406 HydrophobicContact CG-CD1 3.99Å
380H92.2Very high86.3Confident3 Ų321.9 Ų21.91%0.01411%0.113CC..  trans65-37.7175.8-46.9-78.2000116.4A375 T377 E378 A382 T396 P400 L452 V461A375-H380 WeakPolarHBondContact O-CB 3.33Å; A375-H380 PolarHBondContact O-ND1 3.33Å; T377-H380 WeakPolarHBondContact O-CA 3.41Å; T377-H380 PolarHBondContact O-N 3.31Å; E378-H380 WeakPolarHBondContact CG-NE2 3.49Å; H380-A382 PolarHBondContact O-N 3.07Å; H380-T396 PolarHBondContact CE1-OG1 3.25Å; H380-P400 VanDerWaalsContact CE1-CD 3.48Å; H380-P400 WeakPolarHBondContact CE1-CD 3.48Å; H380-P400 WeakPolarHBondContact NE2-CG 3.32Å; H380-L452 HydrophobicContact CB-CD1 3.71Å; H380-L452 HydrophobicContact CB-CD2 4.17Å; H380-V461 HydrophobicContact CB-CG1 4.09Å; H380-V461 WeakPolarHBondContact O-CG1 3.45Å
381C92.8Very high85.3Confident0 Ų023.5 Ų23.50%012%0.124CC..  trans-67.5118.1175.5171.10000110.3P379 L383 C384 Q385 L452 V461 H463P379-C381 PolarHBondContact O-N 3.46Å; C381-L383 PolarHBondContact O-N 3.06Å; C381-C384 HydrophobicContact CB-CB 3.96Å; C381-C384 PolarHBondContact O-N 3.29Å; C381-Q385 PolarHBondContact O-N 3.14Å; C381-L452 HydrophobicContact CB-CD2 4.17Å; C381-V461 CarbonylContact C-O 3.53Å; C381-V461 WeakPolarHBondContact CA-O 3.31Å; C381-H463 HydrophobicContact CB-CB 4.48Å; C381-H463 VanDerWaalsContact CB-CE1 3.41Å; C381-H463 WeakPolarHBondContact CB-CE1 3.42Å; C381-H463 WeakPolarHBondContact CB-ND1 3.36Å; C381-H463 PolarHBondContact SG-N 2.9Å
382A92.7Very high84Confident26 Ų2623.4 Ų23.422%0.21512%0.123CC..THydrogen-bonded Turntrans-55-27.8-179.800000113.3H380 V460 V461 V462 A506H380-A382 PolarHBondContact O-N 3.07Å; A382-V460 HydrophobicContact CB-CG2 3.92Å; A382-V461 WeakPolarHBondContact CB-O 3.35Å; A382-V461 PolarHBondContact N-O 2.78Å; A382-V462 HydrophobicContact CB-CG1 4.45Å; A382-A506 HydrophobicContact CB-CB 4.28Å
383L92.7Very high83Confident2 Ų223.4 Ų23.41%0.0112%0.123CC..THydrogen-bonded Turntrans-78.9-42.2173.8-174.361.5000112.4C381 L386 V407 F412 C466 L518 L522C381-L383 PolarHBondContact O-N 3.06Å; L383-L386 VanDerWaalsContact O-CB 3.31Å; L383-L386 WeakPolarHBondContact O-CB 3.28Å; L383-L386 PolarHBondContact O-N 3.1Å; L383-V407 HydrophobicContact CD2-CG1 4.29Å; L383-V407 HydrophobicContact CD2-CG2 4.36Å; L383-V407 HydrophobicContact CG-CG2 4.16Å; L383-F412 HydrophobicContact CD2-CE1 4.15Å; L383-F412 HydrophobicContact CD2-CZ 3.82Å; L383-C466 HydrophobicContact CD2-CB 4.04Å; L383-L518 HydrophobicContact CD1-CB 4.09Å; L383-L522 HydrophobicContact CD1-CB 4.29Å; L383-L522 HydrophobicContact CD1-CD2 3.85Å; L383-L522 HydrophobicContact CD2-CD2 4.27Å; L383-L522 HydrophobicContact CG-CD2 4.19Å
384C90.5Very high82.4Confident0 Ų029 Ų290%015%0.147CC..G310 helixtrans-73.7-26.9-178.2-68.80000112.5P379 C381 L386 F387 I406 H463P379-C384 HydrophobicContact CB-CB 4.4Å; P379-C384 HydrophobicContact CG-CB 3.56Å; C381-C384 HydrophobicContact CB-CB 3.96Å; C381-C384 PolarHBondContact O-N 3.29Å; C384-L386 PolarHBondContact O-N 3.16Å; C384-L386 VanDerWaalsContact O-N 3.15Å; C384-F387 PolarHBondContact O-N 3.22Å; C384-I406 HydrophobicContact CB-CB 4.19Å; C384-I406 HydrophobicContact CB-CD1 4.4Å; C384-I406 HydrophobicContact CB-CG1 4.35Å; C384-I406 PolarHBondContact SG-N 3.14Å; C384-H463 PolarHBondContact SG-ND1 2.8Å; C384-H463 VanDerWaalsContact SG-ND1 3.42Å
385Q88.3Confident82.1Confident9 Ų932.8 Ų32.84%0.04216%0.16CC..G310 helixtrans-60.9-18.2173.7-79.8179.46.500114.1L374 T377 P379 C381 F387 V388 W581L374-Q385 PolarHBondContact O-NE2 3.11Å; T377-Q385 PolarHBondContact O-NE2 3.27Å; P379-Q385 HydrophobicContact CG-CG 4.42Å; C381-Q385 PolarHBondContact O-N 3.14Å; Q385-F387 PolarHBondContact O-N 2.89Å; Q385-V388 PolarHBondContact O-N 2.94Å; Q385-W581 HydrophobicContact CB-CZ2 4.39Å; Q385-W581 PolarHBondContact O-NE1 2.84Å
386L86.9Confident81.6Confident11 Ų1134.3 Ų34.36%0.05817%0.169CC..G310 helixtrans-58.6-28.2172.8-172.762.5000111.8L383 C384 M523 V577 W581 F587L383-L386 VanDerWaalsContact O-CB 3.31Å; L383-L386 WeakPolarHBondContact O-CB 3.28Å; L383-L386 PolarHBondContact O-N 3.1Å; C384-L386 PolarHBondContact O-N 3.16Å; C384-L386 VanDerWaalsContact O-N 3.15Å; L386-M523 HydrophobicContact CD2-CG 3.79Å; L386-M523 HydrophobicContact CD2-SD 3.89Å; L386-V577 HydrophobicContact CD1-CG1 3.86Å; L386-V577 HydrophobicContact CD2-CG1 3.92Å; L386-W581 HydrophobicContact CD1-CB 3.88Å; L386-W581 HydrophobicContact CD1-CG 3.88Å; L386-F587 HydrophobicContact CD1-CD1 3.94Å; L386-F587 HydrophobicContact CD1-CD2 3.59Å; L386-F587 HydrophobicContact CD1-CE1 3.98Å; L386-F587 HydrophobicContact CD1-CE2 3.65Å; L386-F587 HydrophobicContact CD1-CG 3.75Å; L386-F587 HydrophobicContact CD1-CZ 3.84Å; L386-F587 HydrophobicContact CD2-CD1 3.99Å; L386-F587 HydrophobicContact CD2-CE1 4.43Å; L386-F587 HydrophobicContact CD2-CG 4.24Å; L386-F587 HydrophobicContact CG-CB 3.97Å; L386-F587 HydrophobicContact CG-CD1 3.91Å; L386-F587 HydrophobicContact CG-CD2 3.95Å; L386-F587 HydrophobicContact CG-CE1 4.41Å; L386-F587 HydrophobicContact CG-CE2 4.47Å; L386-F587 HydrophobicContact CG-CG 3.66Å; L386-F587 WeakPolarHBondContact O-CB 3.47Å; L386-F587 WeakPolarHBondContact O-CD2 3.42Å
387F83.3Confident81.2Confident29 Ų2940.5 Ų40.513%0.12720%0.202CC..G310 helixtrans-106.815.8-170.9-55.1-83.2000113.7C384 Q385 I406 V407 L522 M523 F587 I589 A596C384-F387 PolarHBondContact O-N 3.22Å; Q385-F387 PolarHBondContact O-N 2.89Å; F387-I406 HydrophobicContact CB-CD1 4.44Å; F387-I406 HydrophobicContact CB-CG2 3.96Å; F387-I406 HydrophobicContact CD2-CG2 4.46Å; F387-I406 HydrophobicContact CG-CG2 4.31Å; F387-V407 HydrophobicContact CD2-CG2 3.94Å; F387-V407 HydrophobicContact CE2-CG2 3.5Å; F387-V407 HydrophobicContact CZ-CG2 4.41Å; F387-L522 HydrophobicContact CE2-CD2 4.03Å; F387-L522 HydrophobicContact CZ-CD2 3.95Å; F387-M523 HydrophobicContact CE1-SD 4.4Å; F387-M523 HydrophobicContact CZ-SD 4.11Å; F387-F587 HydrophobicContact CD1-CB 3.81Å; F387-F587 HydrophobicContact CE1-CB 3.91Å; F387-I589 HydrophobicContact CD1-CD1 4.03Å; F387-I589 HydrophobicContact CD1-CG1 3.89Å; F387-I589 HydrophobicContact CE1-CD1 3.43Å; F387-I589 VanDerWaalsContact CE1-CD1 3.43Å; F387-I589 HydrophobicContact CE1-CG1 3.83Å; F387-I589 HydrophobicContact CE2-CD1 3.99Å; F387-I589 HydrophobicContact CE2-CG1 4.49Å; F387-I589 HydrophobicContact CG-CG1 4.27Å; F387-I589 HydrophobicContact CZ-CD1 3.41Å; F387-I589 VanDerWaalsContact CZ-CD1 3.41Å; F387-I589 HydrophobicContact CZ-CG1 4.14Å; F387-A596 HydrophobicContact CE1-CB 4.46Å; F387-A596 HydrophobicContact CZ-CB 4.33Å
388V74.9Confident81.2Confident34 Ų3443.9 Ų43.921%0.20623%0.226CC..SBendtrans-131.3144.6-179.2-174.70000110.8P379 Q385 R390 A393 I406P379-V388 HydrophobicContact CG-CG2 4.17Å; Q385-V388 PolarHBondContact O-N 2.94Å; V388-R390 PolarHBondContact O-N 3.22Å; V388-A393 HydrophobicContact CG1-CB 4.35Å; V388-I406 HydrophobicContact CG2-CD1 3.26Å
389S68.5Low81.3Confident28 Ų2841.8 Ų41.820%0.19622%0.219CC..  trans-67.3113.6175.7-179.80000111.1I391 L392 A393 P724S389-I391 VanDerWaalsContact C-N 3.27Å; S389-I391 PolarHBondContact O-N 3.36Å; S389-L392 PolarHBondContact O-N 3.32Å; S389-A393 WeakPolarHBondContact O-CB 3.28Å; S389-A393 PolarHBondContact O-N 2.91Å; S389-P724 VanDerWaalsContact CB-O 3.29Å; S389-P724 WeakPolarHBondContact CB-O 3.3Å; S389-P724 PolarHBondContact N-O 3.18Å
390R68Low81.3Confident85 Ų8543.5 Ų43.532%0.32123%0.23SC..THydrogen-bonded Turntrans-58.5-35.9-178.5-67.3-178.4-72.3174.55.5113.8V388 L392 W581 K582 D584V388-R390 PolarHBondContact O-N 3.22Å; R390-L392 VanDerWaalsContact C-N 3.28Å; R390-L392 PolarHBondContact O-N 2.72Å; R390-W581 HydrophobicContact CG-CZ2 4.02Å; R390-W581 PolarHBondContact NH2-O 2.76Å; R390-K582 PolarHBondContact NH2-O 3.3Å; R390-K582 VanDerWaalsContact NH2-O 3.12Å; R390-D584 IonicContact CZ-OD1 2.62Å; R390-D584 IonicContact NH2-OD1 3.53Å; R390-D584 PolarHBondContact NH2-OD1 3.16Å
391I64.7Low80.9Confident67 Ų6747.5 Ų47.534%0.34425%0.249SC..THydrogen-bonded Turntrans-71.2-29.3-175.2-57.9170.8000111.1S389 Y632 L728S389-I391 VanDerWaalsContact C-N 3.27Å; S389-I391 PolarHBondContact O-N 3.36Å; I391-Y632 HydrophobicContact CG2-CE1 4.06Å; I391-L728 HydrophobicContact CD1-CD1 4.43Å
392L64.1Low80.7Confident3 Ų350.2 Ų50.22%0.01627%0.268CS..THydrogen-bonded Turntrans-105.1-13-174.7-62.5176.4000112.5S389 R390 K394 V622 G723 P724 L728S389-L392 PolarHBondContact O-N 3.32Å; R390-L392 VanDerWaalsContact C-N 3.28Å; R390-L392 PolarHBondContact O-N 2.72Å; L392-K394 PolarHBondContact O-N 3.37Å; L392-V622 HydrophobicContact CD2-CG2 4.14Å; L392-G723 VanDerWaalsContact CD1-C 3.43Å; L392-G723 WeakPolarHBondContact CD1-O 3.37Å; L392-P724 HydrophobicContact CB-CB 4.1Å; L392-P724 HydrophobicContact CB-CG 4.26Å; L392-L728 HydrophobicContact CD1-CD1 3.92Å; L392-L728 HydrophobicContact CD1-CG 4.27Å; L392-L728 HydrophobicContact CD2-CD1 4.5Å; L392-L728 HydrophobicContact CG-CD1 4.11Å
393A68.8Low80.5Confident16 Ų1649.4 Ų49.413%0.13226%0.261CS..PPolyproline II helixtrans-59130.2176.500000110.5T377 E378 V388 S389T377-A393 HydrophobicContact CG2-CB 3.41Å; T377-A393 VanDerWaalsContact CG2-CB 3.41Å; E378-A393 WeakPolarHBondContact O-CB 3.38Å; V388-A393 HydrophobicContact CG1-CB 4.35Å; S389-A393 WeakPolarHBondContact O-CB 3.28Å; S389-A393 PolarHBondContact O-N 2.91Å
394K74.5Confident80.1Confident136 Ų13656.3 Ų56.359%0.59129%0.286SS*.PPolyproline II helixtrans-70.5135.3178.9-173.1-179.7176.5-171.70109.4E378 L392E378-K394 PolarHBondContact N-O 3.12Å; L392-K394 PolarHBondContact O-N 3.37Å
395R80.7Confident80Confident105 Ų10558.1 Ų58.140%0.39629%0.293SS..BIsolated β-bridgetrans-92.7143.4167.5-71.7-161.8-169.3145.222111.4E345 E349 L376E345-R395 IonicContact OE1-CZ 2.9Å; E345-R395 IonicContact OE1-NH1 3.15Å; E345-R395 PolarHBondContact OE1-NH1 3.1Å; E345-R395 IonicContact OE1-NH2 2.83Å; E345-R395 PolarHBondContact OE1-NH2 2.86Å; E349-R395 IonicContact OE1-NH2 2.88Å; L376-R395 CarbonylContact O-C 3.59Å; L376-R395 VanDerWaalsContact O-CA 3.28Å; L376-R395 WeakPolarHBondContact O-CA 3.4Å
396T82.7Confident79.7Confident35 Ų3559.8 Ų59.822%0.21530%0.302CS..  trans-110.8156.317460.60000109.9L376 H380 S398L376-T396 PolarHBondContact O-N 3.05Å; L376-T396 PolarHBondContact O-OG1 3.04Å; H380-T396 PolarHBondContact CE1-OG1 3.25Å; T396-S398 VanDerWaalsContact C-N 3.27Å; T396-S398 WeakPolarHBondContact CB-O 3.39Å; T396-S398 PolarHBondContact O-N 3.12Å; T396-S398 PolarHBondContact OG1-O 3.05Å
397D80.2Confident79.6Confident159 Ų15959.3 Ų59.385%0.8530%0.3SS*.SBendtrans-73.6-22.8177.2-61.8-45.7000112.6
398S86.4Confident79.4Confident81 Ų8158.6 Ų58.657%0.56630%0.298SS*.SBendtrans-145.6158.2177.556.30000111.1T396T396-S398 VanDerWaalsContact C-N 3.27Å; T396-S398 WeakPolarHBondContact CB-O 3.39Å; T396-S398 PolarHBondContact O-N 3.12Å; T396-S398 PolarHBondContact OG1-O 3.05Å
399V87.1Confident79.5Confident40 Ų4060 Ų6024%0.24230%0.304CS..  trans-72.2121.4176.7-1740000108.7A375 L376 L452 V461A375-V399 HydrophobicContact CB-CG2 3.7Å; L376-V399 HydrophobicContact CD2-CG2 3.92Å; V399-L452 HydrophobicContact CG1-CD1 4.2Å; V399-V461 HydrophobicContact CG1-CG1 4.06Å; V399-V461 HydrophobicContact CG1-CG2 4.03Å; V399-V461 HydrophobicContact CG2-CG2 4.47Å
400P87.3Confident79.9Confident45 Ų4559.9 Ų59.929%0.29230%0.302SS..  trans-70.6164.9177.929.4-32.5000111.1H380 S402 L452H380-P400 VanDerWaalsContact CE1-CD 3.48Å; H380-P400 WeakPolarHBondContact CE1-CD 3.48Å; H380-P400 WeakPolarHBondContact NE2-CG 3.32Å; P400-S402 VanDerWaalsContact C-N 3.32Å; P400-L452 HydrophobicContact CG-CD1 3.87Å; P400-L452 WeakPolarHBondContact O-CD1 3.44Å
401Q84.6Confident80.4Confident87 Ų8756 Ų5641%0.40729%0.288SS..SBendtrans-74.3-24.6177.2-66.7-158.5-34.900114.4R330 T451 L452R330-Q401 VanDerWaalsContact C-NE2 3.27Å; R330-Q401 PolarHBondContact O-NE2 3.4Å; Q401-T451 WeakPolarHBondContact O-CA 3.38Å; Q401-L452 PolarHBondContact O-N 3.36Å
402S88.4Confident81.2Confident56 Ų5653.5 Ų53.539%0.39227%0.274SS..EExtended strand (participates in β ladder)trans-148.9148.9179.7610000108.7P400 D450P400-S402 VanDerWaalsContact C-N 3.32Å; S402-D450 CarbonylContact C-O 3.58Å; S402-D450 WeakPolarHBondContact CA-O 3.31Å; S402-D450 VanDerWaalsContact CB-O 3.23Å; S402-D450 WeakPolarHBondContact CB-O 3.4Å
403S88.2Confident81.6Confident10 Ų1058.5 Ų58.57%0.0730%0.298CS..EExtended strand (participates in β ladder)trans-145.1174.3175.656.20000111.5P379 R405 T449 D450 L452 H463P379-S403 PolarHBondContact O-OG 3.47Å; S403-R405 PolarHBondContact O-N 3.39Å; S403-T449 CarbonylContact O-C 3.58Å; S403-T449 VanDerWaalsContact O-CA 3.3Å; S403-T449 WeakPolarHBondContact O-CA 3.4Å; S403-D450 PolarHBondContact N-O 2.87Å; S403-D450 PolarHBondContact O-N 3.46Å; S403-L452 VanDerWaalsContact OG-CD1 3.3Å; S403-L452 WeakPolarHBondContact OG-CD1 3.34Å; S403-L452 WeakPolarHBondContact OG-CD2 3.47Å; S403-L452 WeakPolarHBondContact OG-CG 3.47Å; S403-H463 PolarHBondContact O-NE2 2.8Å; S403-H463 PolarHBondContact OG-NE2 2.85Å
404R84.7Confident81.6Confident146 Ų14659.8 Ų59.855%0.55130%0.3SS*.EExtended strand (participates in β ladder)trans-61.9118.9178.7178.5-178.8173.1-178.3-0.6110.5P379 H463P379-R404 WeakPolarHBondContact CB-O 3.45Å; R404-H463 PolarHBondContact O-CE1 2.68Å
405R87.3Confident80.5Confident39 Ų3958 Ų5815%0.14730%0.297CS..  trans-82.7124.9169.9-164.217593.3-134.19.7110.6S403 V407 D409 V448 D450 H463S403-R405 PolarHBondContact O-N 3.39Å; R405-V407 WeakPolarHBondContact CD-O 3.41Å; R405-V407 WeakPolarHBondContact CG-O 3.35Å; R405-V407 PolarHBondContact NE-O 3.03Å; R405-D409 IonicContact CZ-OD1 3.5Å; R405-D409 IonicContact NH2-OD1 3.66Å; R405-D409 PolarHBondContact NH2-OD1 2.81Å; R405-D409 IonicContact NH2-OD2 3.95Å; R405-V448 PolarHBondContact N-O 2.91Å; R405-D450 HydrophobicContact CB-CB 3.93Å; R405-D450 VanDerWaalsContact CD-OD2 3.31Å; R405-D450 WeakPolarHBondContact CD-OD2 3.46Å; R405-D450 HydrophobicContact CG-CB 4.42Å; R405-D450 IonicContact NH1-OD2 2.99Å; R405-H463 HydrophobicContact CG-CB 4.49Å
406I83.3Confident78.6Confident44 Ų4456.9 Ų56.923%0.22632%0.318CS..  trans-95.5-40.3175.5-58.5176.6000110.4P379 C384 F387 V388 I589P379-I406 HydrophobicContact CG-CD1 3.99Å; C384-I406 HydrophobicContact CB-CB 4.19Å; C384-I406 HydrophobicContact CB-CD1 4.4Å; C384-I406 HydrophobicContact CB-CG1 4.35Å; C384-I406 PolarHBondContact SG-N 3.14Å; F387-I406 HydrophobicContact CB-CD1 4.44Å; F387-I406 HydrophobicContact CB-CG2 3.96Å; F387-I406 HydrophobicContact CD2-CG2 4.46Å; F387-I406 HydrophobicContact CG-CG2 4.31Å; V388-I406 HydrophobicContact CG2-CD1 3.26Å; I406-I589 HydrophobicContact CG2-CG1 4.24Å
407V83.5Confident76.3Confident1 Ų163 Ų631%0.00634%0.342CS..SBendtrans-79.2126.8-177-179.40000111.2L383 F387 R405 C411 F412 L522L383-V407 HydrophobicContact CD2-CG1 4.29Å; L383-V407 HydrophobicContact CD2-CG2 4.36Å; L383-V407 HydrophobicContact CG-CG2 4.16Å; F387-V407 HydrophobicContact CD2-CG2 3.94Å; F387-V407 HydrophobicContact CE2-CG2 3.5Å; F387-V407 HydrophobicContact CZ-CG2 4.41Å; R405-V407 WeakPolarHBondContact CD-O 3.41Å; R405-V407 WeakPolarHBondContact CG-O 3.35Å; R405-V407 PolarHBondContact NE-O 3.03Å; V407-C411 HydrophobicContact CG1-CB 3.9Å; V407-F412 HydrophobicContact CG1-CE2 3.83Å; V407-F412 HydrophobicContact CG1-CZ 3.91Å; V407-L522 HydrophobicContact CG1-CD1 4.31Å; V407-L522 HydrophobicContact CG1-CD2 3.91Å; V407-L522 HydrophobicContact CG2-CD2 4.03Å
408S79.6Confident74.1Confident14 Ų1458.9 Ų58.910%0.09832%0.317CS..  trans-84.2148.1-178.2141.60000111.2D410 C411 K444S408-D410 PolarHBondContact O-N 3.2Å; S408-D410 VanDerWaalsContact O-N 3.13Å; S408-D410 WeakPolarHBondContact OG-CB 3.45Å; S408-D410 PolarHBondContact OG-N 3.19Å; S408-D410 PolarHBondContact OG-OD2 3.49Å; S408-C411 VanDerWaalsContact CB-SG 3.56Å; S408-C411 WeakPolarHBondContact O-CB 3.37Å; S408-C411 PolarHBondContact O-N 3.24Å; S408-C411 PolarHBondContact O-SG 3.23Å; S408-K444 WeakPolarHBondContact OG-CD 3.49Å; S408-K444 WeakPolarHBondContact OG-CE 3.33Å; S408-K444 PolarHBondContact OG-NZ 3.35Å
409D77.9Confident71.2Confident63 Ų6359.7 Ų59.734%0.33732%0.319SS..G310 helixtrans-58.1-26.3173.6-50.2-15000112.4R405 C411 F412 T465R405-D409 IonicContact CZ-OD1 3.5Å; R405-D409 IonicContact NH2-OD1 3.66Å; R405-D409 PolarHBondContact NH2-OD1 2.81Å; R405-D409 IonicContact NH2-OD2 3.95Å; D409-C411 VanDerWaalsContact C-N 3.26Å; D409-C411 PolarHBondContact O-N 3.23Å; D409-F412 PolarHBondContact O-N 2.8Å; D409-T465 WeakPolarHBondContact OD1-CG2 3.29Å
410D75.5Confident68.3Low25 Ų2563.8 Ų63.813%0.13433%0.334CS..G310 helixtrans-73.6-27.5-178.1-53-33.4000109.4S408 F412 Q413 K444 L595S408-D410 PolarHBondContact O-N 3.2Å; S408-D410 VanDerWaalsContact O-N 3.13Å; S408-D410 WeakPolarHBondContact OG-CB 3.45Å; S408-D410 PolarHBondContact OG-N 3.19Å; S408-D410 PolarHBondContact OG-OD2 3.49Å; D410-F412 PolarHBondContact O-N 3.26Å; D410-F412 VanDerWaalsContact O-N 3.12Å; D410-Q413 PolarHBondContact O-N 2.81Å; D410-K444 IonicContact OD1-NZ 3.59Å; D410-K444 PolarHBondContact OD1-NZ 2.8Å; D410-K444 IonicContact OD2-NZ 2.73Å; D410-K444 PolarHBondContact OD2-NZ 3.24Å; D410-L595 HydrophobicContact CB-CD1 3.57Å; D410-L595 WeakPolarHBondContact O-CD1 3.5Å
411C79.4Confident65.4Low4 Ų472.2 Ų72.23%0.02736%0.361CS..G310 helixtrans-60.4-24.5176.6-57.30000111.8V407 S408 D409 L522V407-C411 HydrophobicContact CG1-CB 3.9Å; S408-C411 VanDerWaalsContact CB-SG 3.56Å; S408-C411 WeakPolarHBondContact O-CB 3.37Å; S408-C411 PolarHBondContact O-N 3.24Å; S408-C411 PolarHBondContact O-SG 3.23Å; D409-C411 VanDerWaalsContact C-N 3.26Å; D409-C411 PolarHBondContact O-N 3.23Å; C411-L522 HydrophobicContact CB-CD1 3.64Å
412F81.7Confident62.6Low14 Ų1470 Ų706%0.06136%0.362CS..G310 helixtrans-88.3-19.7175-54.5-82.3000113.2L383 V407 D409 D410 K414 L522 F529 F531L383-F412 HydrophobicContact CD2-CE1 4.15Å; L383-F412 HydrophobicContact CD2-CZ 3.82Å; V407-F412 HydrophobicContact CG1-CE2 3.83Å; V407-F412 HydrophobicContact CG1-CZ 3.91Å; D409-F412 PolarHBondContact O-N 2.8Å; D410-F412 PolarHBondContact O-N 3.26Å; D410-F412 VanDerWaalsContact O-N 3.12Å; F412-K414 VanDerWaalsContact C-N 3.29Å; F412-K414 PolarHBondContact O-N 2.71Å; F412-L522 HydrophobicContact CD1-CD1 4.27Å; F412-L522 HydrophobicContact CE1-CD1 4.21Å; F412-F529 HydrophobicContact CB-CB 4.42Å; F412-F529 HydrophobicContact CB-CD2 4.09Å; F412-F529 HydrophobicContact CB-CG 4.2Å; F412-F529 AromaticContact CD1-CD1 3.94Å; F412-F529 HydrophobicContact CD1-CD1 3.94Å; F412-F529 HydrophobicContact CD1-CD2 4.06Å; F412-F529 AromaticContact CD1-CE1 3.78Å; F412-F529 HydrophobicContact CD1-CE1 3.78Å; F412-F529 AromaticContact CD1-CE2 3.9Å; F412-F529 HydrophobicContact CD1-CE2 3.9Å; F412-F529 HydrophobicContact CD1-CG 4.08Å; F412-F529 AromaticContact CD1-CZ 3.75Å; F412-F529 HydrophobicContact CD1-CZ 3.75Å; F412-F529 HydrophobicContact CE1-CE1 4.2Å; F412-F529 HydrophobicContact CE1-CZ 4.22Å; F412-F529 WeakPolarHBondContact O-CD2 3.45Å; F412-F531 HydrophobicContact CB-CE2 4.17Å; F412-F531 HydrophobicContact CB-CZ 3.66Å; F412-F531 HydrophobicContact CG-CZ 4.23Å
413Q72.9Confident59.7Low109 Ų10971.6 Ų71.651%0.50937%0.366SS..  trans-83.764.6178.5-61.9-172.59.400111.8D410 N415D410-Q413 PolarHBondContact O-N 2.81Å; Q413-N415 PolarHBondContact O-N 2.93Å; Q413-N415 VanDerWaalsContact O-N 3.07Å
414K68Low56.8Low42 Ų4281.5 Ų81.518%0.18341%0.408CS..  trans-77.215.9-177.4-66.9-178.4168.2-1750115.6F412 G416 A521 L522 T524 V527 R528F412-K414 VanDerWaalsContact C-N 3.29Å; F412-K414 PolarHBondContact O-N 2.71Å; K414-G416 PolarHBondContact O-N 3.3Å; K414-A521 PolarHBondContact NZ-O 3.21Å; K414-L522 WeakPolarHBondContact CE-O 3.18Å; K414-L522 PolarHBondContact NZ-O 3.18Å; K414-T524 PolarHBondContact NZ-O 2.88Å; K414-V527 WeakPolarHBondContact CD-O 3.49Å; K414-R528 PolarHBondContact O-NE 2.79Å; K414-R528 PolarHBondContact O-NH1 2.8Å
415N51.7Low54Low100 Ų10082.8 Ų82.854%0.53542%0.422SS..  trans-78.9118.3-178.9-70.6-21000109.2Q413 K417 R528Q413-N415 PolarHBondContact O-N 2.93Å; Q413-N415 VanDerWaalsContact O-N 3.07Å; N415-K417 PolarHBondContact O-N 2.97Å; N415-R528 WeakPolarHBondContact OD1-CD 3.29Å
416G40.9Very low51.1Low81 Ų8188.4 Ų88.484%0.83545%0.45SS*.SBendtrans-64.523.6171.300000114.9K414K414-G416 PolarHBondContact O-N 3.3Å
417K33.2Very low48.3Very low164 Ų16491.6 Ų91.671%0.71348%0.476SS*.  trans-143.8100.7172-66.9-175.3179.3-178.30106.5N415 T419N415-K417 PolarHBondContact O-N 2.97Å; K417-T419 PolarHBondContact O-N 2.87Å
418H34.6Very low45.5Very low72 Ų7297.9 Ų97.933%0.33352%0.519SS..  trans-6996.1146.7-62.1-119000105F420 N438 L439H418-F420 PolarHBondContact O-N 3.04Å; H418-N438 PolarHBondContact O-OD1 3.35Å; H418-L439 HydrophobicContact CB-CD2 3.33Å; H418-L439 HydrophobicContact CB-CG 3.69Å; H418-L439 WeakPolarHBondContact CD2-CD2 3.18Å
419T25.5Very low42.9Very low97 Ų97103.5 Ų103.560%0.59555%0.547SS*.  trans-63.4114.2140.243.60000105.2K417 Y421K417-T419 PolarHBondContact O-N 2.87Å; T419-Y421 PolarHBondContact O-N 3.11Å
420F25.6Very low40.4Very low127 Ų127108.8 Ų108.856%0.55757%0.567SS**  trans-40.4108.5155.4-104.9-127.9000107H418 G422 N438 L439H418-F420 PolarHBondContact O-N 3.04Å; F420-G422 PolarHBondContact O-N 3.42Å; F420-N438 WeakPolarHBondContact CA-OD1 3.35Å; F420-N438 WeakPolarHBondContact CB-OD1 3.26Å; F420-N438 HydrophobicContact CD2-CB 4.2Å; F420-N438 WeakPolarHBondContact CD2-OD1 3.45Å; F420-N438 VanDerWaalsContact CG-OD1 3.29Å; F420-N438 WeakPolarHBondContact CG-OD1 3.32Å; F420-N438 PolarHBondContact N-OD1 3.07Å; F420-L439 VanDerWaalsContact CE2-N 3.29Å
421Y27.8Very low37.9Very low221 Ų221113.3 Ų113.387%0.86760%0.599SS**  trans-73.175.7156.7-112.3-87.3000106T419T419-Y421 PolarHBondContact O-N 3.11Å
422G24Very low35.5Very low41 Ų41120 Ų12042%0.42363%0.632SS.*  trans-64.913615000000107.9F420F420-G422 PolarHBondContact O-N 3.42Å
423N28.5Very low32.9Very low89 Ų89124.8 Ų124.848%0.47666%0.664SS.*  trans104.149.7164.4-56.8-23.1000119.5M425 H426N423-M425 PolarHBondContact OD1-O 3.36Å; N423-H426 PolarHBondContact ND2-CD2 2.77Å; N423-H426 VanDerWaalsContact ND2-CD2 3.33Å; N423-H426 PolarHBondContact ND2-CE1 3.34Å; N423-H426 VanDerWaalsContact ND2-CE1 3.28Å; N423-H426 PolarHBondContact ND2-NE2 3.37Å; N423-H426 WeakPolarHBondContact OD1-CB 3.19Å; N423-H426 PolarHBondContact OD1-CD2 3.4Å; N423-H426 PolarHBondContact OD1-NE2 3.27Å
424K26.7Very low30.5Very low218 Ų218126.5 Ų126.595%0.94868%0.677SS**SBend-117.163.6100.3-90.7-172.9178.4176.30111.2
425M25.8Very low28.5Very low173 Ų173132.8 Ų132.885%0.85271%0.711SS**  trans-169.398.5154.4-123.7171.588.600108N423N423-M425 PolarHBondContact OD1-O 3.36Å
426H26.5Very low27.2Very low158 Ų158133.9 Ų133.973%0.73172%0.722SS**  trans-133.1103.6169-114.8-146.2000108.5N423N423-H426 PolarHBondContact ND2-CD2 2.77Å; N423-H426 VanDerWaalsContact ND2-CD2 3.33Å; N423-H426 PolarHBondContact ND2-CE1 3.34Å; N423-H426 VanDerWaalsContact ND2-CE1 3.28Å; N423-H426 PolarHBondContact ND2-NE2 3.37Å; N423-H426 WeakPolarHBondContact OD1-CB 3.19Å; N423-H426 PolarHBondContact OD1-CD2 3.4Å; N423-H426 PolarHBondContact OD1-NE2 3.27Å
427S24.9Very low26.3Very low111 Ų111134.5 Ų134.578%0.77671%0.71SS**  -170.2106.4120.661.50000109.5
428C24.4Very low25.8Very low133 Ų133130.9 Ų130.990%0.89970%0.698SS**  trans-131.7117.6144.7-168.30000106.9
429L25.8Very low25.2Very low131 Ų131132 Ų13269%0.68671%0.706SS**  trans-90.6140.8-176.1-118.878.5000109.1
430F24.6Very low25.1Very low175 Ų175130.6 Ų130.677%0.76871%0.711SS**  trans96.987.2163.5-60.1-72.9000119.1
431C24.2Very low25.1Very low120 Ų120129.6 Ų129.681%0.81172%0.715SS**  78.4106.6121.1-64.90000119.9
432M29Very low24.9Very low144 Ų144124.7 Ų124.771%0.70970%0.703SS**  trans-56.1151.4169.7-61.6-110.8178.500113.2
433P26.2Very low24.9Very low115 Ų115124.2 Ų124.275%0.74769%0.693SS**  -141.8110.88434.3-16.2000112.6
434D23.3Very low25Very low144 Ų144123.3 Ų123.377%0.7769%0.685SS**SBendtrans178.8147.8140.2-96-26.7000110.2T436D434-T436 VanDerWaalsContact C-N 3.34Å; D434-T436 PolarHBondContact O-N 3.37Å
435L25Very low25.2Very low174 Ų174116 Ų11691%0.91166%0.661SS**SBendtrans-78.161.6-157-150.983.3000113.1
436T23.8Very low25.7Very low123 Ų123111.7 Ų111.776%0.75565%0.646SS**  trans-148.477.5-17948.90000114.3D434D434-T436 VanDerWaalsContact C-N 3.34Å; D434-T436 PolarHBondContact O-N 3.37Å
437T23.1Very low26.7Very low94 Ų94107.4 Ų107.458%0.57763%0.631SS**  trans-142.390.8153.949.30000110.2
438N22.6Very low28.5Very low89 Ų89105.7 Ų105.748%0.47662%0.616SS.*SBendtrans-174.8137.9147.4-106.6-68.1000109.7H418 F420H418-N438 PolarHBondContact O-OD1 3.35Å; F420-N438 WeakPolarHBondContact CA-OD1 3.35Å; F420-N438 WeakPolarHBondContact CB-OD1 3.26Å; F420-N438 HydrophobicContact CD2-CB 4.2Å; F420-N438 WeakPolarHBondContact CD2-OD1 3.45Å; F420-N438 VanDerWaalsContact CG-OD1 3.29Å; F420-N438 WeakPolarHBondContact CG-OD1 3.32Å; F420-N438 PolarHBondContact N-OD1 3.07Å
439L22.4Very low31Very low94 Ų94103.8 Ų103.849%0.49260%0.6SS.*  trans77.5122.3171.4-60.1122.4000118.7H418 F420H418-L439 HydrophobicContact CB-CD2 3.33Å; H418-L439 HydrophobicContact CB-CG 3.69Å; H418-L439 WeakPolarHBondContact CD2-CD2 3.18Å; F420-L439 VanDerWaalsContact CE2-N 3.29Å
440G23Very low33.7Very low68 Ų6897.7 Ų97.770%0.70157%0.568SS**  trans165.878163.100000117.9
441V25.3Very low36.7Very low106 Ų10690.1 Ų90.164%0.64254%0.536SS*.  trans66.890.7152.1-162.60000117.9S443V441-S443 PolarHBondContact O-N 3.18Å
442I23.5Very low39.9Very low119 Ų11984.7 Ų84.761%0.6150%0.499SS*.  trans-70.3106.8152.9-65.8170.9000106.5
443S24.2Very low42.8Very low31 Ų3177.9 Ų77.922%0.21747%0.466CS..  trans-74.5125.4168.858.90000109.1H216 V441H216-S443 VanDerWaalsContact CG-CB 3.47Å; V441-S443 PolarHBondContact O-N 3.18Å
444K31.2Very low46Very low70 Ų7074.5 Ų74.530%0.30445%0.445SS..  trans-92.3118.2172-89.7-169.2-179.389.80111.7S408 D410S408-K444 WeakPolarHBondContact OG-CD 3.49Å; S408-K444 WeakPolarHBondContact OG-CE 3.33Å; S408-K444 PolarHBondContact OG-NZ 3.35Å; D410-K444 IonicContact OD1-NZ 3.59Å; D410-K444 PolarHBondContact OD1-NZ 2.8Å; D410-K444 IonicContact OD2-NZ 2.73Å; D410-K444 PolarHBondContact OD2-NZ 3.24Å
445S31Very low49.3Very low65 Ų6567.6 Ų67.646%0.45541%0.408SS..  trans-44.3132.7162.755.20000112.8
446P35.9Very low52.4Low81 Ų8161 Ų6153%0.52638%0.376SS..SBendtrans-77.3134.1168.430.5-29000110.5
447T46.8Very low55.6Low68 Ų6855.7 Ų55.742%0.41734%0.343SS..  trans84.150.2168.272.40000118.4T449T447-T449 PolarHBondContact O-N 3.16Å
448V63Low58.9Low75 Ų7551.2 Ų51.246%0.45532%0.316SS..  trans-78114.1153.9-176.80000107.7R405R405-V448 PolarHBondContact N-O 2.91Å
449T77.1Confident62.3Low93 Ų9348.8 Ų48.857%0.57130%0.303SS*.EExtended strand (participates in β ladder)trans-65.7135.2164.446.80000108.4S403 T447S403-T449 CarbonylContact O-C 3.58Å; S403-T449 VanDerWaalsContact O-CA 3.3Å; S403-T449 WeakPolarHBondContact O-CA 3.4Å; T447-T449 PolarHBondContact O-N 3.16Å
450D82.1Confident65.6Low3 Ų344.4 Ų44.42%0.01628%0.28CS..EExtended strand (participates in β ladder)trans-123.3150-179.6-167.610.4000110.1S402 S403 R405 H463 T465S402-D450 CarbonylContact C-O 3.58Å; S402-D450 WeakPolarHBondContact CA-O 3.31Å; S402-D450 VanDerWaalsContact CB-O 3.23Å; S402-D450 WeakPolarHBondContact CB-O 3.4Å; S403-D450 PolarHBondContact N-O 2.87Å; S403-D450 PolarHBondContact O-N 3.46Å; R405-D450 HydrophobicContact CB-CB 3.93Å; R405-D450 VanDerWaalsContact CD-OD2 3.31Å; R405-D450 WeakPolarHBondContact CD-OD2 3.46Å; R405-D450 HydrophobicContact CG-CB 4.42Å; R405-D450 IonicContact NH1-OD2 2.99Å; D450-H463 HydrophobicContact CB-CB 4.11Å; D450-H463 PolarHBondContact O-CD2 3.44Å; D450-H463 WeakPolarHBondContact OD2-CB 3.24Å; D450-T465 VanDerWaalsContact CG-OG1 3.31Å; D450-T465 PolarHBondContact OD1-OG1 2.87Å; D450-T465 WeakPolarHBondContact OD2-CB 3.07Å; D450-T465 PolarHBondContact OD2-N 3.15Å; D450-T465 PolarHBondContact OD2-OG1 3.01Å
451T88.6Confident69Low16 Ų1641.2 Ų41.210%0.09825%0.247CC..EExtended strand (participates in β ladder)trans-64.4134.4-178.9-560000109.5Q401 H463 A464 W471 V474Q401-T451 WeakPolarHBondContact O-CA 3.38Å; T451-H463 CarbonylContact O-C 3.56Å; T451-H463 VanDerWaalsContact O-CA 3.3Å; T451-H463 WeakPolarHBondContact O-CA 3.38Å; T451-A464 PolarHBondContact O-N 2.89Å; T451-W471 WeakPolarHBondContact OG1-CH2 3.49Å; T451-V474 HydrophobicContact CG2-CG1 4.24Å
452L90.8Very high72.2Confident6 Ų636.2 Ų36.23%0.03122%0.217CC..EExtended strand (participates in β ladder)trans-90.6137.2173.7-71169.1000110.3H380 C381 V399 P400 Q401 S403 V461 V462 H463 N479H380-L452 HydrophobicContact CB-CD1 3.71Å; H380-L452 HydrophobicContact CB-CD2 4.17Å; C381-L452 HydrophobicContact CB-CD2 4.17Å; V399-L452 HydrophobicContact CG1-CD1 4.2Å; P400-L452 HydrophobicContact CG-CD1 3.87Å; P400-L452 WeakPolarHBondContact O-CD1 3.44Å; Q401-L452 PolarHBondContact O-N 3.36Å; S403-L452 VanDerWaalsContact OG-CD1 3.3Å; S403-L452 WeakPolarHBondContact OG-CD1 3.34Å; S403-L452 WeakPolarHBondContact OG-CD2 3.47Å; S403-L452 WeakPolarHBondContact OG-CG 3.47Å; L452-V461 HydrophobicContact CB-CG1 4.16Å; L452-V461 HydrophobicContact CD1-CG1 4.35Å; L452-V461 HydrophobicContact CD2-CG1 3.67Å; L452-V461 HydrophobicContact CG-CG1 4.28Å; L452-V462 WeakPolarHBondContact CA-O 3.4Å; L452-H463 VanDerWaalsContact CD2-CD2 3.45Å; L452-H463 WeakPolarHBondContact CD2-CD2 3.5Å; L452-N479 PolarHBondContact O-ND2 2.64Å
453L90.4Very high75.5Confident2 Ų230.5 Ų30.51%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-109.5131.7172.3-52.1173.5000107.5V461 V462 A464 L469 V474 N479 W482L453-V461 VanDerWaalsContact O-CA 3.24Å; L453-V461 WeakPolarHBondContact O-CA 3.28Å; L453-V462 HydrophobicContact CB-CG2 4.19Å; L453-V462 HydrophobicContact CD1-CG2 4.4Å; L453-V462 PolarHBondContact N-O 3.34Å; L453-V462 PolarHBondContact O-N 2.84Å; L453-A464 HydrophobicContact CD1-CB 4.04Å; L453-A464 HydrophobicContact CD2-CB 4.18Å; L453-A464 HydrophobicContact CG-CB 4.04Å; L453-L469 HydrophobicContact CD1-CD1 3.28Å; L453-L469 HydrophobicContact CD1-CG 3.96Å; L453-L469 HydrophobicContact CD2-CD1 4.34Å; L453-L469 HydrophobicContact CG-CD1 4.44Å; L453-V474 HydrophobicContact CD2-CG1 4.43Å; L453-V474 HydrophobicContact CD2-CG2 4.39Å; L453-N479 WeakPolarHBondContact CD2-OD1 3.49Å; L453-W482 HydrophobicContact CB-CD2 3.98Å; L453-W482 HydrophobicContact CB-CE3 3.7Å; L453-W482 HydrophobicContact CB-CH2 4.22Å; L453-W482 HydrophobicContact CB-CZ2 4.47Å; L453-W482 HydrophobicContact CB-CZ3 3.82Å; L453-W482 HydrophobicContact CD1-CD2 4.44Å; L453-W482 HydrophobicContact CD1-CH2 4.48Å; L453-W482 HydrophobicContact CD1-CZ2 4.1Å
454S92.4Very high78.5Confident43 Ų4329.1 Ų29.130%0.30118%0.178SC..EExtended strand (participates in β ladder)trans-116.7120176.8-172.30000109.6S456S454-S456 PolarHBondContact O-N 3.24Å
455C92.4Very high81.1Confident0 Ų027.1 Ų27.10%017%0.172CC..  trans-71.3118.5179.7179.10000109.8V457 N459 V460 W482 C484C455-V457 PolarHBondContact O-N 3.31Å; C455-N459 WeakPolarHBondContact O-CA 3.48Å; C455-N459 PolarHBondContact O-N 2.83Å; C455-V460 HydrophobicContact CB-CG1 3.8Å; C455-V460 PolarHBondContact N-O 2.86Å; C455-W482 WeakPolarHBondContact CA-O 3.47Å; C455-W482 HydrophobicContact CB-CE3 4.05Å; C455-W482 HydrophobicContact CB-CZ3 3.74Å; C455-C484 HydrophobicContact CB-CB 4.27Å; C455-C484 PolarHBondContact SG-N 3.26Å; C455-C484 VanDerWaalsContact SG-N 3.4Å; C455-C484 VanDerWaalsContact SG-SG 3.68Å
456S91.1Very high83.8Confident36 Ų3624.1 Ų24.125%0.25215%0.15SC..THydrogen-bonded Turntrans-59.5-17.2178.553.10000115S454 W482 K483S454-S456 PolarHBondContact O-N 3.24Å; S456-W482 PolarHBondContact N-O 3.46Å; S456-W482 PolarHBondContact OG-O 2.93Å; S456-K483 WeakPolarHBondContact OG-CG 3.17Å
457V91.6Very high86.4Confident10 Ų1020.5 Ų20.56%0.06113%0.126CC..THydrogen-bonded Turntrans-101.6-54.5-178.1-176.70000111.6F364 K368 C455 K483 C487 E492F364-V457 HydrophobicContact CE1-CG1 4.13Å; F364-V457 HydrophobicContact CZ-CG1 3.94Å; K368-V457 WeakPolarHBondContact CD-O 3.28Å; K368-V457 WeakPolarHBondContact CE-O 3.2Å; K368-V457 WeakPolarHBondContact CG-O 3.24Å; K368-V457 PolarHBondContact NZ-O 2.81Å; C455-V457 PolarHBondContact O-N 3.31Å; V457-K483 HydrophobicContact CG2-CD 3.77Å; V457-K483 HydrophobicContact CG2-CG 3.99Å; V457-C487 HydrophobicContact CB-CB 3.71Å; V457-C487 HydrophobicContact CG1-CB 4.08Å; V457-C487 HydrophobicContact CG2-CB 4.03Å; V457-E492 HydrophobicContact CG1-CG 3.81Å
458C92Very high88Confident0 Ų019.6 Ų19.60%012%0.119CC..THydrogen-bonded Turntrans-100.90.5-174.472.10000114.7F364 N371 V460 R486F364-C458 HydrophobicContact CE2-CB 4.13Å; F364-C458 HydrophobicContact CZ-CB 3.72Å; N371-C458 WeakPolarHBondContact CB-O 3.41Å; N371-C458 PolarHBondContact ND2-O 2.77Å; C458-V460 PolarHBondContact O-N 3.24Å; C458-V460 VanDerWaalsContact O-N 3.09Å; C458-V460 WeakPolarHBondContact SG-CG1 3.41Å; C458-R486 PolarHBondContact SG-NH2 3.02Å
459N92.7Very high88.4Confident38 Ų3817.7 Ų17.720%0.20311%0.106CC..  trans59.512.8-177.8-58.8-21.7000115.2N371 A372 C455 V461N371-N459 CarbonylContact C-O 3.6Å; N371-N459 HydrophobicContact CB-CB 4.2Å; A372-N459 HydrophobicContact CB-CB 4.04Å; C455-N459 WeakPolarHBondContact O-CA 3.48Å; C455-N459 PolarHBondContact O-N 2.83Å; N459-V461 PolarHBondContact O-N 2.84Å
460V93.3Very high87.6Confident2 Ų217.4 Ų17.41%0.01210%0.101CC..  trans-68.8133.2176.576.40000109.4N371 A382 C455 C458 C484 A506N371-V460 HydrophobicContact CB-CB 4.49Å; A382-V460 HydrophobicContact CB-CG2 3.92Å; C455-V460 HydrophobicContact CB-CG1 3.8Å; C455-V460 PolarHBondContact N-O 2.86Å; C458-V460 PolarHBondContact O-N 3.24Å; C458-V460 VanDerWaalsContact O-N 3.09Å; C458-V460 WeakPolarHBondContact SG-CG1 3.41Å; V460-C484 HydrophobicContact CG1-CB 4.23Å; V460-A506 HydrophobicContact CG2-CB 3.87Å
461V93.9Very high86.5Confident2 Ų223.2 Ų23.21%0.01212%0.123CC..EExtended strand (participates in β ladder)trans-110.1133.1177.1171.20000110.2A375 H380 C381 A382 V399 L452 L453 N459A375-V461 HydrophobicContact CB-CB 3.93Å; A375-V461 HydrophobicContact CB-CG2 3.44Å; A375-V461 VanDerWaalsContact CB-CG2 3.44Å; H380-V461 HydrophobicContact CB-CG1 4.09Å; H380-V461 WeakPolarHBondContact O-CG1 3.45Å; C381-V461 CarbonylContact C-O 3.53Å; C381-V461 WeakPolarHBondContact CA-O 3.31Å; A382-V461 WeakPolarHBondContact CB-O 3.35Å; A382-V461 PolarHBondContact N-O 2.78Å; V399-V461 HydrophobicContact CG1-CG1 4.06Å; V399-V461 HydrophobicContact CG1-CG2 4.03Å; V399-V461 HydrophobicContact CG2-CG2 4.47Å; L452-V461 HydrophobicContact CB-CG1 4.16Å; L452-V461 HydrophobicContact CD1-CG1 4.35Å; L452-V461 HydrophobicContact CD2-CG1 3.67Å; L452-V461 HydrophobicContact CG-CG1 4.28Å; L453-V461 VanDerWaalsContact O-CA 3.24Å; L453-V461 WeakPolarHBondContact O-CA 3.28Å; N459-V461 PolarHBondContact O-N 2.84Å
462V93.3Very high84.9Confident0 Ų030.2 Ų30.20%015%0.154CC..EExtended strand (participates in β ladder)trans-143.4151.8179.7-69.60000110.2A382 L452 L453 Y467 W482 A506A382-V462 HydrophobicContact CB-CG1 4.45Å; L452-V462 WeakPolarHBondContact CA-O 3.4Å; L453-V462 HydrophobicContact CB-CG2 4.19Å; L453-V462 HydrophobicContact CD1-CG2 4.4Å; L453-V462 PolarHBondContact N-O 3.34Å; L453-V462 PolarHBondContact O-N 2.84Å; V462-Y467 HydrophobicContact CB-CD2 4.27Å; V462-Y467 HydrophobicContact CG1-CD2 4.19Å; V462-Y467 HydrophobicContact CG2-CD2 3.71Å; V462-Y467 HydrophobicContact CG2-CG 3.86Å; V462-W482 HydrophobicContact CG2-CH2 3.73Å; V462-W482 HydrophobicContact CG2-CZ3 4.22Å; V462-A506 HydrophobicContact CG1-CB 3.76Å
463H90.8Very high83.2Confident0 Ų034.4 Ų34.40%018%0.177CC..EExtended strand (participates in β ladder)trans-69143.2167.2-65.6119.9000110.1C381 C384 S403 R404 R405 D450 T451 L452 T465 C466 Y467C381-H463 HydrophobicContact CB-CB 4.48Å; C381-H463 VanDerWaalsContact CB-CE1 3.41Å; C381-H463 WeakPolarHBondContact CB-CE1 3.42Å; C381-H463 WeakPolarHBondContact CB-ND1 3.36Å; C381-H463 PolarHBondContact SG-N 2.9Å; C384-H463 PolarHBondContact SG-ND1 2.8Å; C384-H463 VanDerWaalsContact SG-ND1 3.42Å; S403-H463 PolarHBondContact O-NE2 2.8Å; S403-H463 PolarHBondContact OG-NE2 2.85Å; R404-H463 PolarHBondContact O-CE1 2.68Å; R405-H463 HydrophobicContact CG-CB 4.49Å; D450-H463 HydrophobicContact CB-CB 4.11Å; D450-H463 PolarHBondContact O-CD2 3.44Å; D450-H463 WeakPolarHBondContact OD2-CB 3.24Å; T451-H463 CarbonylContact O-C 3.56Å; T451-H463 VanDerWaalsContact O-CA 3.3Å; T451-H463 WeakPolarHBondContact O-CA 3.38Å; L452-H463 VanDerWaalsContact CD2-CD2 3.45Å; L452-H463 WeakPolarHBondContact CD2-CD2 3.5Å; H463-T465 VanDerWaalsContact C-N 3.28Å; H463-T465 PolarHBondContact O-N 3.12Å; H463-C466 HydrophobicContact CB-CB 3.87Å; H463-C466 CarbonylContact O-C 3.52Å; H463-C466 WeakPolarHBondContact O-CA 3.37Å; H463-C466 WeakPolarHBondContact O-CB 3.49Å; H463-C466 PolarHBondContact O-N 2.86Å; H463-Y467 PolarHBondContact O-N 2.86Å
464A87.5Confident81.7Confident2 Ų235.4 Ų35.42%0.01718%0.183CC..THydrogen-bonded Turntrans-55.5-43.6178.900000112T451 L453 Y467 N468 L469 V474T451-A464 PolarHBondContact O-N 2.89Å; L453-A464 HydrophobicContact CD1-CB 4.04Å; L453-A464 HydrophobicContact CD2-CB 4.18Å; L453-A464 HydrophobicContact CG-CB 4.04Å; A464-Y467 CarbonylContact O-C 3.48Å; A464-Y467 PolarHBondContact O-N 2.92Å; A464-N468 PolarHBondContact O-N 3.03Å; A464-L469 PolarHBondContact O-N 3.06Å; A464-V474 HydrophobicContact CB-CG2 4.44Å
465T86.1Confident79.9Confident28 Ų2839.9 Ų39.917%0.17220%0.199CC..THydrogen-bonded Turntrans-71.9-33.9176.5-42.80000111.9D409 D450 H463 Y467 N468D409-T465 WeakPolarHBondContact OD1-CG2 3.29Å; D450-T465 VanDerWaalsContact CG-OG1 3.31Å; D450-T465 PolarHBondContact OD1-OG1 2.87Å; D450-T465 WeakPolarHBondContact OD2-CB 3.07Å; D450-T465 PolarHBondContact OD2-N 3.15Å; D450-T465 PolarHBondContact OD2-OG1 3.01Å; H463-T465 VanDerWaalsContact C-N 3.28Å; H463-T465 PolarHBondContact O-N 3.12Å; T465-Y467 PolarHBondContact O-N 3.17Å; T465-N468 PolarHBondContact O-N 3.12Å
466C88.6Confident77.7Confident1 Ų148.2 Ų48.21%0.00724%0.238CC..THydrogen-bonded Turntrans-67.4-24.5175.2-70.40000113.3L383 H463L383-C466 HydrophobicContact CD2-CB 4.04Å; H463-C466 HydrophobicContact CB-CB 3.87Å; H463-C466 CarbonylContact O-C 3.52Å; H463-C466 WeakPolarHBondContact O-CA 3.37Å; H463-C466 WeakPolarHBondContact O-CB 3.49Å; H463-C466 PolarHBondContact O-N 2.86Å
467Y89.1Confident75.5Confident5 Ų549.7 Ų49.72%0.0226%0.259CS..THydrogen-bonded Turntrans-95.8-2.1172.3-147.4-101.1000112.5V462 H463 A464 T465 W482 D485 F507 N508 L518V462-Y467 HydrophobicContact CB-CD2 4.27Å; V462-Y467 HydrophobicContact CG1-CD2 4.19Å; V462-Y467 HydrophobicContact CG2-CD2 3.71Å; V462-Y467 HydrophobicContact CG2-CG 3.86Å; H463-Y467 PolarHBondContact O-N 2.86Å; A464-Y467 CarbonylContact O-C 3.48Å; A464-Y467 PolarHBondContact O-N 2.92Å; T465-Y467 PolarHBondContact O-N 3.17Å; Y467-W482 HydrophobicContact CD1-CH2 4.24Å; Y467-W482 AromaticContact CD1-CZ2 3.62Å; Y467-W482 HydrophobicContact CD1-CZ2 3.62Å; Y467-W482 HydrophobicContact CE1-CH2 4.22Å; Y467-W482 AromaticContact CE1-CZ2 3.63Å; Y467-W482 HydrophobicContact CE1-CZ2 3.63Å; Y467-W482 HydrophobicContact CG-CH2 4.41Å; Y467-W482 HydrophobicContact CG-CZ2 4.19Å; Y467-D485 PolarHBondContact OH-N 3.32Å; Y467-F507 PolarHBondContact OH-O 2.79Å; Y467-N508 WeakPolarHBondContact CE2-OD1 3.03Å; Y467-L518 HydrophobicContact CD2-CD1 3.39Å; Y467-L518 HydrophobicContact CE2-CD1 3.53Å
468N80.3Confident73.4Confident50 Ų5054.2 Ų54.227%0.26728%0.283SS..THydrogen-bonded Turntrans52.551-178.4-172.685.2000113.1A464 T465 F531 T537A464-N468 PolarHBondContact O-N 3.03Å; T465-N468 PolarHBondContact O-N 3.12Å; N468-F531 HydrophobicContact CB-CD1 4.01Å; N468-F531 HydrophobicContact CB-CE1 3.71Å; N468-F531 WeakPolarHBondContact ND2-CD1 3.27Å; N468-T537 WeakPolarHBondContact CB-OG1 3.29Å; N468-T537 PolarHBondContact ND2-OG1 2.95Å
469L72.9Confident71.8Confident34 Ų3456.9 Ų56.918%0.17830%0.297CS..  trans-84.6141.6163.6-67.2-171000110.4L453 A464 V474L453-L469 HydrophobicContact CD1-CD1 3.28Å; L453-L469 HydrophobicContact CD1-CG 3.96Å; L453-L469 HydrophobicContact CD2-CD1 4.34Å; L453-L469 HydrophobicContact CG-CD1 4.44Å; A464-L469 PolarHBondContact O-N 3.06Å; L469-V474 HydrophobicContact CB-CG2 4.25Å; L469-V474 HydrophobicContact CD1-CG2 4.44Å
470N59.7Low70.1Confident88 Ų8858.7 Ų58.747%0.47131%0.309SS..  trans-69.9140.7169.8-84.2-33.4000109.8E472 D473N470-E472 PolarHBondContact O-N 3.22Å; N470-E472 VanDerWaalsContact O-N 3.17Å; N470-D473 PolarHBondContact O-N 3.22Å; N470-D473 VanDerWaalsContact O-N 3.11Å
471W58.5Low69.3Low125 Ų12561 Ų6147%0.47333%0.329SS..Hα-helixtrans-60-26.9-179.8-87.688.4000113.5T451 V474 Q475T451-W471 WeakPolarHBondContact OG1-CH2 3.49Å; W471-V474 PolarHBondContact O-N 3.36Å; W471-Q475 PolarHBondContact O-N 3.03Å
472E54.8Low68.9Low162 Ų16262.7 Ų62.776%0.75734%0.335SS*.Hα-helixtrans-63.5-41176.8-65.7178.6173.500111.1N470 V474 Q475N470-E472 PolarHBondContact O-N 3.22Å; N470-E472 VanDerWaalsContact O-N 3.17Å; E472-V474 VanDerWaalsContact C-N 3.26Å; E472-V474 PolarHBondContact O-N 2.66Å; E472-Q475 PolarHBondContact O-N 3.28Å
473D55.4Low68.8Low94 Ų9466.8 Ų66.850%0.50335%0.353SS..Hα-helixtrans-70-22.5179.4-57.3-41.2000113N470N470-D473 PolarHBondContact O-N 3.22Å; N470-D473 VanDerWaalsContact O-N 3.11Å
474V60.3Low68.8Low24 Ų2466.9 Ų66.915%0.14535%0.354CS..Hα-helixtrans-86-22.1-179.8-175.50000111.6T451 L453 A464 L469 W471 E472T451-V474 HydrophobicContact CG2-CG1 4.24Å; L453-V474 HydrophobicContact CD2-CG1 4.43Å; L453-V474 HydrophobicContact CD2-CG2 4.39Å; A464-V474 HydrophobicContact CB-CG2 4.44Å; L469-V474 HydrophobicContact CB-CG2 4.25Å; L469-V474 HydrophobicContact CD1-CG2 4.44Å; W471-V474 PolarHBondContact O-N 3.36Å; E472-V474 VanDerWaalsContact C-N 3.26Å; E472-V474 PolarHBondContact O-N 2.66Å
475Q52.7Low68.8Low136 Ų13667.3 Ų67.364%0.63636%0.356SS*.Hα-helixtrans-80.2-18.5-175.7-78-163.79.100114.9W471 E472 G477W471-Q475 PolarHBondContact O-N 3.03Å; E472-Q475 PolarHBondContact O-N 3.28Å; Q475-G477 PolarHBondContact O-N 3.48Å
476E46.3Very low69.1Low176 Ų17666 Ų6682%0.82235%0.348SS*.SBendtrans-73.122-178.1-69.9-166.1155.800115.2N478E476-N478 VanDerWaalsContact C-N 3.26Å; E476-N478 PolarHBondContact O-N 3.33Å
477G45Very low69.2Low66 Ų6666 Ų6668%0.6835%0.348SS*.SBendtrans73.710.8172.100000115.2Q475Q475-G477 PolarHBondContact O-N 3.48Å
478N48Very low69.2Low106 Ų10668.9 Ų68.957%0.56737%0.366SS*.  trans-10618.9-169.1-139.16.4000115.2E476 T480 A481 W482E476-N478 VanDerWaalsContact C-N 3.26Å; E476-N478 PolarHBondContact O-N 3.33Å; N478-T480 PolarHBondContact O-N 3.27Å; N478-A481 PolarHBondContact O-N 2.65Å; N478-A481 VanDerWaalsContact O-N 3.17Å; N478-A481 WeakPolarHBondContact OD1-CB 3.46Å; N478-W482 PolarHBondContact O-N 3.41Å
479N57.8Low69.6Low56 Ų5669 Ų6930%0.29937%0.367SS..THydrogen-bonded Turntrans-66-21.2-179.1-156.220.1000112.9L452 L453L452-N479 PolarHBondContact O-ND2 2.64Å; L453-N479 WeakPolarHBondContact CD2-OD1 3.49Å
480T58.4Low70.3Confident75 Ų7570.1 Ų70.146%0.4637%0.372SS..THydrogen-bonded Turntrans-74.2-24.3176.151.80000113.3N478N478-T480 PolarHBondContact O-N 3.27Å
481A75Confident71.4Confident52 Ų5269.5 Ų69.543%0.4337%0.369SS..SBendtrans-1022.6178.600000113.3N478 K483N478-A481 PolarHBondContact O-N 2.65Å; N478-A481 VanDerWaalsContact O-N 3.17Å; N478-A481 WeakPolarHBondContact OD1-CB 3.46Å; A481-K483 PolarHBondContact O-N 3.04Å
482W87.5Confident72.7Confident36 Ų3668.8 Ų68.814%0.13637%0.371CS..  trans-58.3138.5-176-178.976.3000111.2L453 C455 S456 V462 Y467 N478 C484L453-W482 HydrophobicContact CB-CD2 3.98Å; L453-W482 HydrophobicContact CB-CE3 3.7Å; L453-W482 HydrophobicContact CB-CH2 4.22Å; L453-W482 HydrophobicContact CB-CZ2 4.47Å; L453-W482 HydrophobicContact CB-CZ3 3.82Å; L453-W482 HydrophobicContact CD1-CD2 4.44Å; L453-W482 HydrophobicContact CD1-CH2 4.48Å; L453-W482 HydrophobicContact CD1-CZ2 4.1Å; C455-W482 WeakPolarHBondContact CA-O 3.47Å; C455-W482 HydrophobicContact CB-CE3 4.05Å; C455-W482 HydrophobicContact CB-CZ3 3.74Å; S456-W482 PolarHBondContact N-O 3.46Å; S456-W482 PolarHBondContact OG-O 2.93Å; V462-W482 HydrophobicContact CG2-CH2 3.73Å; V462-W482 HydrophobicContact CG2-CZ3 4.22Å; Y467-W482 HydrophobicContact CD1-CH2 4.24Å; Y467-W482 AromaticContact CD1-CZ2 3.62Å; Y467-W482 HydrophobicContact CD1-CZ2 3.62Å; Y467-W482 HydrophobicContact CE1-CH2 4.22Å; Y467-W482 AromaticContact CE1-CZ2 3.63Å; Y467-W482 HydrophobicContact CE1-CZ2 3.63Å; Y467-W482 HydrophobicContact CG-CH2 4.41Å; Y467-W482 HydrophobicContact CG-CZ2 4.19Å; N478-W482 PolarHBondContact O-N 3.41Å; W482-C484 HydrophobicContact CH2-CB 3.66Å; W482-C484 HydrophobicContact CZ2-CB 4.07Å; W482-C484 HydrophobicContact CZ3-CB 4.21Å
483K90Very high74Confident86 Ų8666.6 Ų66.637%0.37436%0.361SS..  trans-125.7131.6173.9-68.2-172.8-177.5-172.40108.1S456 V457 A481 C487 T488S456-K483 WeakPolarHBondContact OG-CG 3.17Å; V457-K483 HydrophobicContact CG2-CD 3.77Å; V457-K483 HydrophobicContact CG2-CG 3.99Å; A481-K483 PolarHBondContact O-N 3.04Å; K483-C487 HydrophobicContact CB-CB 4.46Å; K483-T488 VanDerWaalsContact CB-OG1 3.22Å; K483-T488 WeakPolarHBondContact CB-OG1 3.11Å; K483-T488 PolarHBondContact O-OG1 3.01Å
484C90.7Very high75.4Confident2 Ų264.5 Ų64.51%0.01435%0.351CS..  trans-61.9158170.671.90000110.5C455 V460 W482 R486 C487 T488C455-C484 HydrophobicContact CB-CB 4.27Å; C455-C484 PolarHBondContact SG-N 3.26Å; C455-C484 VanDerWaalsContact SG-N 3.4Å; C455-C484 VanDerWaalsContact SG-SG 3.68Å; V460-C484 HydrophobicContact CG1-CB 4.23Å; W482-C484 HydrophobicContact CH2-CB 3.66Å; W482-C484 HydrophobicContact CZ2-CB 4.07Å; W482-C484 HydrophobicContact CZ3-CB 4.21Å; C484-R486 PolarHBondContact O-N 2.91Å; C484-C487 PolarHBondContact O-N 3.16Å; C484-T488 PolarHBondContact O-N 3.16Å; C484-T488 PolarHBondContact O-OG1 3.4Å; C484-T488 VanDerWaalsContact O-OG1 3.13Å
485D88.5Confident76.8Confident12 Ų1263.9 Ų63.96%0.06435%0.347CS..Hα-helixtrans-50.6-41.8-174.5-72.3-18000112.4Y467 T488 D489 W515Y467-D485 PolarHBondContact OH-N 3.32Å; D485-T488 PolarHBondContact O-N 2.91Å; D485-D489 WeakPolarHBondContact O-CB 3.45Å; D485-D489 PolarHBondContact O-N 3.26Å; D485-W515 HydrophobicContact CB-CH2 4.38Å; D485-W515 HydrophobicContact CB-CZ3 4.12Å
486R91.3Very high78.5Confident1 Ų161.2 Ų61.20%0.00434%0.335CS..Hα-helixtrans-61.2-49.9177.1-176.3-167.163.1-179.9-3.4112.9E367 C458 C484 T488 D489 L490 V495 F507 W515E367-R486 VanDerWaalsContact CD-NH1 3.26Å; E367-R486 IonicContact OE1-CZ 2.67Å; E367-R486 IonicContact OE1-NH1 3.19Å; E367-R486 PolarHBondContact OE1-NH1 3Å; E367-R486 IonicContact OE1-NH2 3.86Å; E367-R486 PolarHBondContact OE1-NH2 2.55Å; E367-R486 IonicContact OE2-CZ 3.85Å; E367-R486 IonicContact OE2-NH1 3.79Å; E367-R486 PolarHBondContact OE2-NH1 3.49Å; E367-R486 IonicContact OE2-NH2 3.82Å; C458-R486 PolarHBondContact SG-NH2 3.02Å; C484-R486 PolarHBondContact O-N 2.91Å; R486-T488 VanDerWaalsContact C-N 3.26Å; R486-T488 PolarHBondContact O-N 3.26Å; R486-D489 PolarHBondContact O-N 3.26Å; R486-L490 PolarHBondContact O-N 2.82Å; R486-V495 HydrophobicContact CG-CG1 4.15Å; R486-V495 HydrophobicContact CG-CG2 4.02Å; R486-F507 HydrophobicContact CB-CB 4.41Å; R486-W515 VanDerWaalsContact CA-CZ3 3.49Å; R486-W515 HydrophobicContact CB-CE3 4.04Å; R486-W515 HydrophobicContact CB-CH2 3.85Å; R486-W515 HydrophobicContact CB-CZ2 4.34Å; R486-W515 HydrophobicContact CB-CZ3 3.64Å; R486-W515 HydrophobicContact CG-CD2 4.5Å; R486-W515 HydrophobicContact CG-CE3 4.44Å; R486-W515 HydrophobicContact CG-CH2 4.37Å; R486-W515 HydrophobicContact CG-CZ2 4.36Å; R486-W515 HydrophobicContact CG-CZ3 4.37Å
487C91.9Very high80.6Confident1 Ų152.9 Ų52.91%0.00730%0.296CS..Hα-helixtrans-74.5-22.7-177.5-69.70000112.1V457 K483 C484 N491V457-C487 HydrophobicContact CB-CB 3.71Å; V457-C487 HydrophobicContact CG1-CB 4.08Å; V457-C487 HydrophobicContact CG2-CB 4.03Å; K483-C487 HydrophobicContact CB-CB 4.46Å; C484-C487 PolarHBondContact O-N 3.16Å; C487-N491 VanDerWaalsContact O-CA 3.3Å; C487-N491 WeakPolarHBondContact O-CA 3.42Å; C487-N491 PolarHBondContact O-N 3.37Å
488T89.2Confident82.7Confident64 Ų6451.1 Ų51.139%0.39327%0.272SS..Hα-helixtrans-67.9-45.3168.3-59.10000111.2K483 C484 D485 R486 R536K483-T488 VanDerWaalsContact CB-OG1 3.22Å; K483-T488 WeakPolarHBondContact CB-OG1 3.11Å; K483-T488 PolarHBondContact O-OG1 3.01Å; C484-T488 PolarHBondContact O-N 3.16Å; C484-T488 PolarHBondContact O-OG1 3.4Å; C484-T488 VanDerWaalsContact O-OG1 3.13Å; D485-T488 PolarHBondContact O-N 2.91Å; R486-T488 VanDerWaalsContact C-N 3.26Å; R486-T488 PolarHBondContact O-N 3.26Å; T488-R536 VanDerWaalsContact CG2-NH2 3.29Å
489D87.5Confident84.7Confident54 Ų5446.1 Ų46.129%0.28925%0.245SC..Hα-helixtrans-82.4-38.8-173.8-71.91.8000113.6D485 R486 R509 W515 R536D485-D489 WeakPolarHBondContact O-CB 3.45Å; D485-D489 PolarHBondContact O-N 3.26Å; R486-D489 PolarHBondContact O-N 3.26Å; D489-R509 IonicContact OD2-CZ 3.56Å; D489-R509 IonicContact OD2-NE 3.66Å; D489-R509 IonicContact OD2-NH1 3.68Å; D489-W515 HydrophobicContact CB-CH2 4.2Å; D489-W515 HydrophobicContact CB-CZ2 4.12Å; D489-R536 IonicContact OD1-CZ 3.77Å; D489-R536 IonicContact OD1-NH1 2.73Å; D489-R536 PolarHBondContact OD1-NH1 3.11Å; D489-R536 IonicContact OD1-NH2 3.95Å; D489-R536 IonicContact OD2-NH1 3.74Å
490L88.1Confident86Confident57 Ų5743.5 Ų43.530%0.29823%0.232SC..Hα-helixtrans-125.3-4.9-168-59.4176000114R486 Q493 V495 W515R486-L490 PolarHBondContact O-N 2.82Å; L490-Q493 HydrophobicContact CB-CB 4.07Å; L490-Q493 HydrophobicContact CB-CG 4.49Å; L490-Q493 VanDerWaalsContact O-CG 3.31Å; L490-Q493 WeakPolarHBondContact O-CG 3.08Å; L490-V495 HydrophobicContact CD1-CG1 3.62Å; L490-W515 HydrophobicContact CD1-CZ2 3.8Å; L490-W515 HydrophobicContact CG-CZ2 4.22Å
491N82.4Confident87.2Confident75 Ų7540.9 Ų40.940%0.40122%0.219SC..THydrogen-bonded Turntrans50.2-145-171.3-155.438.2000111.6C487 Q493C487-N491 VanDerWaalsContact O-CA 3.3Å; C487-N491 WeakPolarHBondContact O-CA 3.42Å; C487-N491 PolarHBondContact O-N 3.37Å; N491-Q493 PolarHBondContact O-N 3.44Å
492E85Confident87.6Confident110 Ų11039 Ų3951%0.51420%0.202SC..THydrogen-bonded Turntrans-62.219.3-172.8-55.3-169.7158.700117F364 V457F364-E492 WeakPolarHBondContact CB-O 3.01Å; F364-E492 HydrophobicContact CD1-CB 3.6Å; F364-E492 HydrophobicContact CD1-CG 4.07Å; F364-E492 WeakPolarHBondContact CD2-O 3.45Å; F364-E492 HydrophobicContact CE1-CB 3.54Å; F364-E492 HydrophobicContact CE1-CG 3.61Å; F364-E492 HydrophobicContact CG-CB 4.23Å; F364-E492 WeakPolarHBondContact CG-O 3.09Å; F364-E492 HydrophobicContact CZ-CB 4.13Å; F364-E492 HydrophobicContact CZ-CG 4.31Å; V457-E492 HydrophobicContact CG1-CG 3.81Å
493Q83.4Confident87.4Confident115 Ų11537.4 Ų37.454%0.53720%0.197SC..  trans-78136177-68.8-176.813.600112.1L490 N491L490-Q493 HydrophobicContact CB-CB 4.07Å; L490-Q493 HydrophobicContact CB-CG 4.49Å; L490-Q493 VanDerWaalsContact O-CG 3.31Å; L490-Q493 WeakPolarHBondContact O-CG 3.08Å; N491-Q493 PolarHBondContact O-N 3.44Å
494V84.6Confident86.7Confident50 Ų5033.3 Ų33.330%0.30318%0.18SC..  trans-73.2131.1171-178.70000109.1I361 F364I361-V494 HydrophobicContact CG2-CG1 4.16Å; F364-V494 HydrophobicContact CB-CG2 3.82Å
495V89.3Confident86.3Confident11 Ų1134.7 Ų34.77%0.06719%0.186CC..  trans-124.6162.2172.3-52.90000110R486 L490 S503 F507 W515R486-V495 HydrophobicContact CG-CG1 4.15Å; R486-V495 HydrophobicContact CG-CG2 4.02Å; L490-V495 HydrophobicContact CD1-CG1 3.62Å; V495-S503 WeakPolarHBondContact O-CA 3.45Å; V495-S503 WeakPolarHBondContact O-CB 3.39Å; V495-F507 HydrophobicContact CG2-CD1 3.94Å; V495-F507 HydrophobicContact CG2-CD2 4.17Å; V495-F507 HydrophobicContact CG2-CE1 3.69Å; V495-F507 HydrophobicContact CG2-CE2 3.95Å; V495-F507 HydrophobicContact CG2-CG 4.15Å; V495-F507 HydrophobicContact CG2-CZ 3.68Å; V495-W515 HydrophobicContact CB-CB 4.27Å; V495-W515 HydrophobicContact CB-CG 3.95Å; V495-W515 HydrophobicContact CG1-CG 4.22Å; V495-W515 HydrophobicContact CG2-CB 3.89Å; V495-W515 HydrophobicContact CG2-CD2 4.26Å; V495-W515 HydrophobicContact CG2-CG 3.77Å
496H88.3Confident86.4Confident80 Ų8034.3 Ų34.337%0.3718%0.184SC..  trans-116.4139.7-179.8-56-68.7000110.8I361 V498 G501I361-H496 VanDerWaalsContact CG1-CE1 3.48Å; I361-H496 WeakPolarHBondContact CG1-CE1 3.47Å; H496-V498 PolarHBondContact O-N 3.44Å; H496-G501 PolarHBondContact ND1-O 3.21Å
497C90.6Very high86.5Confident2 Ų234.3 Ų34.31%0.01418%0.184CC..  trans-69.2125.4172.6173.20000110.1L499 C500 G501 S502 F507 W515 H517C497-L499 PolarHBondContact O-N 3.42Å; C497-L499 VanDerWaalsContact O-N 3.11Å; C497-L499 PolarHBondContact SG-N 3.31Å; C497-L499 VanDerWaalsContact SG-N 3.39Å; C497-C500 PolarHBondContact O-N 3.09Å; C497-G501 VanDerWaalsContact O-CA 3.28Å; C497-G501 WeakPolarHBondContact O-CA 3.45Å; C497-G501 PolarHBondContact O-N 3.34Å; C497-S502 PolarHBondContact N-O 3.29Å; C497-F507 HydrophobicContact CB-CE1 4.06Å; C497-W515 WeakPolarHBondContact CA-O 3.36Å; C497-H517 HydrophobicContact CB-CB 4.48Å; C497-H517 VanDerWaalsContact CB-CE1 3.46Å; C497-H517 WeakPolarHBondContact CB-CE1 3.49Å; C497-H517 PolarHBondContact SG-N 3.49Å
498V90.2Very high86.5Confident29 Ų2934.3 Ų34.318%0.17618%0.184CC..THydrogen-bonded Turntrans-62-20.7178.473.10000113.6H496 T510 R514 W515 V516 V541 L545H496-V498 PolarHBondContact O-N 3.44Å; V498-T510 HydrophobicContact CG1-CG2 4.25Å; V498-R514 VanDerWaalsContact CG2-CZ 3.48Å; V498-W515 PolarHBondContact N-O 2.82Å; V498-V516 HydrophobicContact CG1-CB 4.2Å; V498-V516 HydrophobicContact CG1-CG2 4.34Å; V498-V541 HydrophobicContact CG1-CB 4.46Å; V498-V541 HydrophobicContact CG1-CG1 4.25Å; V498-V541 HydrophobicContact CG1-CG2 4.12Å; V498-L545 HydrophobicContact CG1-CD1 4.45Å; V498-L545 HydrophobicContact CG2-CD1 3.64Å; V498-L545 HydrophobicContact CG2-CD2 4.13Å
499L88.4Confident86.5Confident1 Ų136.7 Ų36.71%0.00519%0.186CC..THydrogen-bonded Turntrans-93.6-18.5-179.3-61.6178.3000114.2C497 V516 C520 V527 V541 A544 L545 G561 R562C497-L499 PolarHBondContact O-N 3.42Å; C497-L499 VanDerWaalsContact O-N 3.11Å; C497-L499 PolarHBondContact SG-N 3.31Å; C497-L499 VanDerWaalsContact SG-N 3.39Å; L499-V516 HydrophobicContact CB-CG2 4.43Å; L499-V516 HydrophobicContact CD1-CG2 3.47Å; L499-V516 VanDerWaalsContact CD1-CG2 3.47Å; L499-V516 HydrophobicContact CG-CG2 3.77Å; L499-C520 HydrophobicContact CB-CB 4.06Å; L499-C520 HydrophobicContact CD1-CB 3.96Å; L499-V527 HydrophobicContact CD1-CG2 3.78Å; L499-V541 HydrophobicContact CD1-CG1 4.43Å; L499-V541 HydrophobicContact CD2-CG1 4.48Å; L499-A544 HydrophobicContact CD2-CB 4.21Å; L499-L545 HydrophobicContact CD2-CD2 3.99Å; L499-G561 CarbonylContact O-C 3.05Å; L499-G561 VanDerWaalsContact O-CA 3.23Å; L499-G561 WeakPolarHBondContact O-CA 3.33Å; L499-R562 HydrophobicContact CB-CB 4.5Å; L499-R562 HydrophobicContact CD2-CB 4.08Å; L499-R562 HydrophobicContact CD2-CG 3.85Å; L499-R562 PolarHBondContact O-N 3.26Å
500C86.4Confident86.7Confident1 Ų134.3 Ų34.31%0.00717%0.174CC..THydrogen-bonded Turntrans-137-5179.771.60000114.6C497 S502 H576C497-C500 PolarHBondContact O-N 3.09Å; C500-S502 PolarHBondContact O-N 3.25Å; C500-H576 HydrophobicContact CB-CB 4.04Å
501G82.4Confident86.7Confident19 Ų1934.4 Ų34.420%0.19618%0.179CC..  trans69.6-7.7-177.500000115.3H496 C497H496-G501 PolarHBondContact ND1-O 3.21Å; C497-G501 VanDerWaalsContact O-CA 3.28Å; C497-G501 WeakPolarHBondContact O-CA 3.45Å; C497-G501 PolarHBondContact O-N 3.34Å
502S83.5Confident87Confident12 Ų1234.3 Ų34.38%0.08418%0.178CC..  trans-80.6155.7-176.9-58.70000111.6C497 C500 H517C497-S502 PolarHBondContact N-O 3.29Å; C500-S502 PolarHBondContact O-N 3.25Å; S502-H517 PolarHBondContact O-CE1 3Å; S502-H517 PolarHBondContact O-NE2 3.24Å
503S82.9Confident87.1Confident4 Ų430.6 Ų30.63%0.02817%0.17CC..  trans-102.1160.4170.865.50000113V362 R370 V495V362-S503 PolarHBondContact N-OG 3.39Å; V362-S503 PolarHBondContact O-OG 2.74Å; R370-S503 PolarHBondContact NH2-O 3.19Å; V495-S503 WeakPolarHBondContact O-CA 3.45Å; V495-S503 WeakPolarHBondContact O-CB 3.39Å
504G75.5Confident87.5Confident0 Ų030.6 Ų30.60%017%0.165CC..  trans70.7167.7-177.700000115.1E367 R370 H517E367-G504 WeakPolarHBondContact OE2-CA 3.44Å; R370-G504 PolarHBondContact NH2-O 2.97Å; G504-H517 PolarHBondContact O-CE1 3.46Å; G504-H517 VanDerWaalsContact O-CE1 3.29Å; G504-H517 PolarHBondContact O-NE2 3.38Å
505E83.4Confident87.9Confident30 Ų3029.4 Ų29.414%0.1416%0.155CC..SBendtrans92.7177.7-156.1-59.7174.2-161.600111.7R370 F507 H517 S519 S578R370-E505 VanDerWaalsContact NH2-N 3.19Å; E505-F507 VanDerWaalsContact O-CD2 3.27Å; E505-F507 WeakPolarHBondContact O-CD2 3.29Å; E505-H517 IonicContact OE2-CG 2.83Å; E505-H517 IonicContact OE2-ND1 3.36Å; E505-S519 PolarHBondContact OE2-OG 3.09Å; E505-S578 VanDerWaalsContact OE1-CB 3.25Å; E505-S578 WeakPolarHBondContact OE1-CB 3.41Å; E505-S578 PolarHBondContact OE1-OG 3.25Å; E505-S578 PolarHBondContact OE2-OG 3.38Å
506A91.1Very high88.1Confident5 Ų528.9 Ų28.94%0.04115%0.152CC..  trans-78.3126.7177.600000110.8A382 V460 V462 H517 L518A382-A506 HydrophobicContact CB-CB 4.28Å; V460-A506 HydrophobicContact CG2-CB 3.87Å; V462-A506 HydrophobicContact CG1-CB 3.76Å; A506-H517 CarbonylContact O-C 3.58Å; A506-H517 VanDerWaalsContact O-CA 3.29Å; A506-H517 WeakPolarHBondContact O-CA 3.45Å; A506-L518 HydrophobicContact CB-CB 4.48Å; A506-L518 HydrophobicContact CB-CD1 3.86Å; A506-L518 PolarHBondContact O-N 3.07Å
507F92.6Very high88.3Confident1 Ų125 Ų250%0.00413%0.134CC..EExtended strand (participates in β ladder)trans-109.6147.3-177.7-76.1-87.9000112.4Y467 R486 V495 C497 E505 W515 V516 H517Y467-F507 PolarHBondContact OH-O 2.79Å; R486-F507 HydrophobicContact CB-CB 4.41Å; V495-F507 HydrophobicContact CG2-CD1 3.94Å; V495-F507 HydrophobicContact CG2-CD2 4.17Å; V495-F507 HydrophobicContact CG2-CE1 3.69Å; V495-F507 HydrophobicContact CG2-CE2 3.95Å; V495-F507 HydrophobicContact CG2-CG 4.15Å; V495-F507 HydrophobicContact CG2-CZ 3.68Å; C497-F507 HydrophobicContact CB-CE1 4.06Å; E505-F507 VanDerWaalsContact O-CD2 3.27Å; E505-F507 WeakPolarHBondContact O-CD2 3.29Å; F507-W515 HydrophobicContact CB-CE3 4Å; F507-W515 HydrophobicContact CD1-CB 3.82Å; F507-W515 HydrophobicContact CE1-CB 4.18Å; F507-V516 WeakPolarHBondContact CA-O 3.25Å; F507-H517 AromaticContact CD1-CD2 3.63Å; F507-H517 AromaticContact CE1-CD2 3.18Å; F507-H517 WeakPolarHBondContact CE1-CD2 3.36Å; F507-H517 AromaticContact CE1-NE2 3.34Å; F507-H517 VanDerWaalsContact CE1-NE2 3.34Å; F507-H517 WeakPolarHBondContact CE1-NE2 3.18Å; F507-H517 AromaticContact CE2-CD2 3.69Å; F507-H517 AromaticContact CE2-NE2 3.68Å; F507-H517 AromaticContact CZ-CD2 3.23Å; F507-H517 WeakPolarHBondContact CZ-CD2 3.24Å; F507-H517 AromaticContact CZ-NE2 3Å; F507-H517 WeakPolarHBondContact CZ-NE2 3.18Å
508N91.2Very high88.4Confident1 Ų125.1 Ų25.11%0.00513%0.134CC..EExtended strand (participates in β ladder)trans-123.4160.7161.1-78.724.8000110.6Y467 V516 L518 T537 V539Y467-N508 WeakPolarHBondContact CE2-OD1 3.03Å; N508-V516 PolarHBondContact N-O 3.47Å; N508-V516 PolarHBondContact O-N 2.88Å; N508-L518 WeakPolarHBondContact OD1-CD1 3.34Å; N508-L518 WeakPolarHBondContact OD1-CG 3.34Å; N508-T537 VanDerWaalsContact ND2-CB 3.32Å; N508-T537 WeakPolarHBondContact ND2-CB 3.08Å; N508-T537 WeakPolarHBondContact ND2-CG2 3.38Å; N508-V539 HydrophobicContact CB-CG2 3.71Å
509R90.4Very high88.5Confident114 Ų11424.1 Ų24.143%0.4313%0.129SC..EExtended strand (participates in β ladder)trans-80.5139.4178-157.4163.9-172.8-153.9-1111.1D489 W515 V539D489-R509 IonicContact OD2-CZ 3.56Å; D489-R509 IonicContact OD2-NE 3.66Å; D489-R509 IonicContact OD2-NH1 3.68Å; R509-W515 HydrophobicContact CB-CH2 4.49Å; R509-W515 HydrophobicContact CB-CZ3 4.21Å; R509-V539 PolarHBondContact O-N 2.82Å
510T92Very high88.6Confident4 Ų424.2 Ų24.23%0.02513%0.13CC..EExtended strand (participates in β ladder)trans-89.7160.2175.8560000112V498 D512 G513 R514 V516 V539 V541V498-T510 HydrophobicContact CG1-CG2 4.25Å; T510-D512 WeakPolarHBondContact CB-OD1 3.41Å; T510-D512 PolarHBondContact O-N 2.83Å; T510-D512 VanDerWaalsContact O-N 3.08Å; T510-D512 PolarHBondContact OG1-OD1 2.93Å; T510-G513 PolarHBondContact O-N 2.79Å; T510-R514 PolarHBondContact N-O 2.93Å; T510-R514 VanDerWaalsContact OG1-CA 3.24Å; T510-R514 WeakPolarHBondContact OG1-CA 3.32Å; T510-R514 WeakPolarHBondContact OG1-CB 3.36Å; T510-R514 PolarHBondContact OG1-N 2.86Å; T510-R514 PolarHBondContact OG1-O 3.41Å; T510-V516 HydrophobicContact CG2-CB 3.72Å; T510-V516 HydrophobicContact CG2-CG1 3.58Å; T510-V539 CarbonylContact C-O 3.51Å; T510-V539 WeakPolarHBondContact CA-O 3.16Å; T510-V539 WeakPolarHBondContact CB-O 3.39Å; T510-V541 HydrophobicContact CG2-CB 4.48Å; T510-V541 HydrophobicContact CG2-CG1 3.75Å; T510-V541 HydrophobicContact CG2-CG2 3.86Å
511S87.5Confident88.9Confident59 Ų5924.2 Ų24.241%0.41313%0.129SC..THydrogen-bonded Turntrans-60.4-18179.356.40000114.6V539S511-V539 PolarHBondContact N-O 3.41Å
512D87.8Confident89.3Confident72 Ų7223.4 Ų23.439%0.38512%0.121SC..THydrogen-bonded Turntrans-103.113.617663.91.3000113.2T510 R514T510-D512 WeakPolarHBondContact CB-OD1 3.41Å; T510-D512 PolarHBondContact O-N 2.83Å; T510-D512 VanDerWaalsContact O-N 3.08Å; T510-D512 PolarHBondContact OG1-OD1 2.93Å; D512-R514 VanDerWaalsContact C-N 3.34Å; D512-R514 PolarHBondContact O-N 2.99Å; D512-R514 PolarHBondContact OD1-N 3.32Å; D512-R514 IonicContact OD1-NE 3.27Å; D512-R514 IonicContact OD2-CZ 2.8Å; D512-R514 IonicContact OD2-NE 3.44Å; D512-R514 PolarHBondContact OD2-NE 3.07Å; D512-R514 IonicContact OD2-NH2 3.28Å; D512-R514 PolarHBondContact OD2-NH2 2.91Å
513G87.2Confident89.5Confident33 Ų3323.6 Ų23.634%0.3412%0.12SC..SBendtrans82.7-0.2174.500000115.9T510T510-G513 PolarHBondContact O-N 2.79Å
514R92.2Very high89.7Confident115 Ų11524.1 Ų24.143%0.43412%0.123SC..  trans-80.9-173.3172.8-61.3-175.1-77.4-173.2-9.7111.7V498 T510 D512V498-R514 VanDerWaalsContact CG2-CZ 3.48Å; T510-R514 PolarHBondContact N-O 2.93Å; T510-R514 VanDerWaalsContact OG1-CA 3.24Å; T510-R514 WeakPolarHBondContact OG1-CA 3.32Å; T510-R514 WeakPolarHBondContact OG1-CB 3.36Å; T510-R514 PolarHBondContact OG1-N 2.86Å; T510-R514 PolarHBondContact OG1-O 3.41Å; D512-R514 VanDerWaalsContact C-N 3.34Å; D512-R514 PolarHBondContact O-N 2.99Å; D512-R514 PolarHBondContact OD1-N 3.32Å; D512-R514 IonicContact OD1-NE 3.27Å; D512-R514 IonicContact OD2-CZ 2.8Å; D512-R514 IonicContact OD2-NE 3.44Å; D512-R514 PolarHBondContact OD2-NE 3.07Å; D512-R514 IonicContact OD2-NH2 3.28Å; D512-R514 PolarHBondContact OD2-NH2 2.91Å
515W92.8Very high89.8Confident24 Ų2428.6 Ų28.69%0.09116%0.155CC..EExtended strand (participates in β ladder)trans-119.5143.5-177.4-65.198.1000111.5D485 R486 D489 L490 V495 C497 V498 F507 R509D485-W515 HydrophobicContact CB-CH2 4.38Å; D485-W515 HydrophobicContact CB-CZ3 4.12Å; R486-W515 VanDerWaalsContact CA-CZ3 3.49Å; R486-W515 HydrophobicContact CB-CE3 4.04Å; R486-W515 HydrophobicContact CB-CH2 3.85Å; R486-W515 HydrophobicContact CB-CZ2 4.34Å; R486-W515 HydrophobicContact CB-CZ3 3.64Å; R486-W515 HydrophobicContact CG-CD2 4.5Å; R486-W515 HydrophobicContact CG-CE3 4.44Å; R486-W515 HydrophobicContact CG-CH2 4.37Å; R486-W515 HydrophobicContact CG-CZ2 4.36Å; R486-W515 HydrophobicContact CG-CZ3 4.37Å; D489-W515 HydrophobicContact CB-CH2 4.2Å; D489-W515 HydrophobicContact CB-CZ2 4.12Å; L490-W515 HydrophobicContact CD1-CZ2 3.8Å; L490-W515 HydrophobicContact CG-CZ2 4.22Å; V495-W515 HydrophobicContact CB-CB 4.27Å; V495-W515 HydrophobicContact CB-CG 3.95Å; V495-W515 HydrophobicContact CG1-CG 4.22Å; V495-W515 HydrophobicContact CG2-CB 3.89Å; V495-W515 HydrophobicContact CG2-CD2 4.26Å; V495-W515 HydrophobicContact CG2-CG 3.77Å; C497-W515 WeakPolarHBondContact CA-O 3.36Å; V498-W515 PolarHBondContact N-O 2.82Å; F507-W515 HydrophobicContact CB-CE3 4Å; F507-W515 HydrophobicContact CD1-CB 3.82Å; F507-W515 HydrophobicContact CE1-CB 4.18Å; R509-W515 HydrophobicContact CB-CH2 4.49Å; R509-W515 HydrophobicContact CB-CZ3 4.21Å
516V93.4Very high89.8Confident0 Ų030.9 Ų30.90%016%0.164CC..EExtended strand (participates in β ladder)trans-139.2140.7176.367.10000110.3V498 L499 F507 N508 T510 C520 A521 V539 V541V498-V516 HydrophobicContact CG1-CB 4.2Å; V498-V516 HydrophobicContact CG1-CG2 4.34Å; L499-V516 HydrophobicContact CB-CG2 4.43Å; L499-V516 HydrophobicContact CD1-CG2 3.47Å; L499-V516 VanDerWaalsContact CD1-CG2 3.47Å; L499-V516 HydrophobicContact CG-CG2 3.77Å; F507-V516 WeakPolarHBondContact CA-O 3.25Å; N508-V516 PolarHBondContact N-O 3.47Å; N508-V516 PolarHBondContact O-N 2.88Å; T510-V516 HydrophobicContact CG2-CB 3.72Å; T510-V516 HydrophobicContact CG2-CG1 3.58Å; V516-C520 HydrophobicContact CG2-CB 4.43Å; V516-A521 HydrophobicContact CG1-CB 4.3Å; V516-A521 HydrophobicContact CG2-CB 4.18Å; V516-V539 HydrophobicContact CG1-CB 3.75Å; V516-V539 HydrophobicContact CG1-CG1 3.79Å; V516-V539 HydrophobicContact CG1-CG2 4.02Å; V516-V541 HydrophobicContact CB-CG1 4.47Å; V516-V541 HydrophobicContact CG2-CG1 4.29Å
517H92.6Very high89.6Confident0 Ų030.6 Ų30.60%016%0.162CC..EExtended strand (participates in β ladder)trans-66.1139.4170.1-59150.4000110C497 S502 G504 E505 A506 F507 S519 C520 A521C497-H517 HydrophobicContact CB-CB 4.48Å; C497-H517 VanDerWaalsContact CB-CE1 3.46Å; C497-H517 WeakPolarHBondContact CB-CE1 3.49Å; C497-H517 PolarHBondContact SG-N 3.49Å; S502-H517 PolarHBondContact O-CE1 3Å; S502-H517 PolarHBondContact O-NE2 3.24Å; G504-H517 PolarHBondContact O-CE1 3.46Å; G504-H517 VanDerWaalsContact O-CE1 3.29Å; G504-H517 PolarHBondContact O-NE2 3.38Å; E505-H517 IonicContact OE2-CG 2.83Å; E505-H517 IonicContact OE2-ND1 3.36Å; A506-H517 CarbonylContact O-C 3.58Å; A506-H517 VanDerWaalsContact O-CA 3.29Å; A506-H517 WeakPolarHBondContact O-CA 3.45Å; F507-H517 AromaticContact CD1-CD2 3.63Å; F507-H517 AromaticContact CE1-CD2 3.18Å; F507-H517 WeakPolarHBondContact CE1-CD2 3.36Å; F507-H517 AromaticContact CE1-NE2 3.34Å; F507-H517 VanDerWaalsContact CE1-NE2 3.34Å; F507-H517 WeakPolarHBondContact CE1-NE2 3.18Å; F507-H517 AromaticContact CE2-CD2 3.69Å; F507-H517 AromaticContact CE2-NE2 3.68Å; F507-H517 AromaticContact CZ-CD2 3.23Å; F507-H517 WeakPolarHBondContact CZ-CD2 3.24Å; F507-H517 AromaticContact CZ-NE2 3Å; F507-H517 WeakPolarHBondContact CZ-NE2 3.18Å; H517-S519 WeakPolarHBondContact CB-OG 3.39Å; H517-S519 PolarHBondContact O-N 2.92Å; H517-C520 HydrophobicContact CB-CB 4.06Å; H517-C520 PolarHBondContact O-N 2.88Å; H517-A521 WeakPolarHBondContact O-CB 3.34Å; H517-A521 PolarHBondContact O-N 3.1Å
518L92.2Very high89.4Confident3 Ų333.3 Ų33.32%0.01617%0.172CC..Hα-helixtrans-56.5-39.8171.4-87.7162.8000111.7L383 Y467 A506 N508 A521 L522 F529L383-L518 HydrophobicContact CD1-CB 4.09Å; Y467-L518 HydrophobicContact CD2-CD1 3.39Å; Y467-L518 HydrophobicContact CE2-CD1 3.53Å; A506-L518 HydrophobicContact CB-CB 4.48Å; A506-L518 HydrophobicContact CB-CD1 3.86Å; A506-L518 PolarHBondContact O-N 3.07Å; N508-L518 WeakPolarHBondContact OD1-CD1 3.34Å; N508-L518 WeakPolarHBondContact OD1-CG 3.34Å; L518-A521 PolarHBondContact O-N 3.28Å; L518-L522 VanDerWaalsContact O-CB 3.25Å; L518-L522 WeakPolarHBondContact O-CB 3.31Å; L518-L522 PolarHBondContact O-N 3.2Å; L518-F529 HydrophobicContact CD2-CE1 4.17Å
519S92.5Very high89.3Confident9 Ų934 Ų346%0.06318%0.175CC..Hα-helixtrans-59.5-50.4175.861.70000111.7E505 H517 L522 M523E505-S519 PolarHBondContact OE2-OG 3.09Å; H517-S519 WeakPolarHBondContact CB-OG 3.39Å; H517-S519 PolarHBondContact O-N 2.92Å; S519-L522 PolarHBondContact O-N 2.65Å; S519-M523 VanDerWaalsContact O-CG 3.31Å; S519-M523 WeakPolarHBondContact O-CG 3.37Å; S519-M523 PolarHBondContact O-N 2.9Å
520C91.9Very high88.9Confident3 Ų333.3 Ų33.32%0.0218%0.176CC..Hα-helixtrans-62.7-45.6176.9-67.20000111.5L499 V516 H517 L522 M523 T524L499-C520 HydrophobicContact CB-CB 4.06Å; L499-C520 HydrophobicContact CD1-CB 3.96Å; V516-C520 HydrophobicContact CG2-CB 4.43Å; H517-C520 HydrophobicContact CB-CB 4.06Å; H517-C520 PolarHBondContact O-N 2.88Å; C520-L522 VanDerWaalsContact C-N 3.3Å; C520-L522 PolarHBondContact O-N 3.3Å; C520-M523 PolarHBondContact O-N 2.96Å; C520-T524 WeakPolarHBondContact O-CB 3.37Å; C520-T524 PolarHBondContact O-N 3.1Å; C520-T524 PolarHBondContact O-OG1 2.96Å
521A91.7Very high88.2Confident0 Ų037.2 Ų37.20%019%0.193CC..Hα-helixtrans-60.4-40177.200000112.2K414 V516 H517 L518 V527 F529 V539K414-A521 PolarHBondContact NZ-O 3.21Å; V516-A521 HydrophobicContact CG1-CB 4.3Å; V516-A521 HydrophobicContact CG2-CB 4.18Å; H517-A521 WeakPolarHBondContact O-CB 3.34Å; H517-A521 PolarHBondContact O-N 3.1Å; L518-A521 PolarHBondContact O-N 3.28Å; A521-V527 HydrophobicContact CB-CG1 3.87Å; A521-F529 HydrophobicContact CB-CE1 4.03Å; A521-F529 HydrophobicContact CB-CE2 4.43Å; A521-F529 HydrophobicContact CB-CZ 3.59Å; A521-V539 HydrophobicContact CB-CG1 3.81Å
522L90.4Very high87.3Confident3 Ų336.8 Ų36.82%0.01619%0.189CC..Hα-helixtrans-69.3-38.3178.6-169.969000112.7L383 F387 V407 C411 F412 K414 L518 S519 C520 A596L383-L522 HydrophobicContact CD1-CB 4.29Å; L383-L522 HydrophobicContact CD1-CD2 3.85Å; L383-L522 HydrophobicContact CD2-CD2 4.27Å; L383-L522 HydrophobicContact CG-CD2 4.19Å; F387-L522 HydrophobicContact CE2-CD2 4.03Å; F387-L522 HydrophobicContact CZ-CD2 3.95Å; V407-L522 HydrophobicContact CG1-CD1 4.31Å; V407-L522 HydrophobicContact CG1-CD2 3.91Å; V407-L522 HydrophobicContact CG2-CD2 4.03Å; C411-L522 HydrophobicContact CB-CD1 3.64Å; F412-L522 HydrophobicContact CD1-CD1 4.27Å; F412-L522 HydrophobicContact CE1-CD1 4.21Å; K414-L522 WeakPolarHBondContact CE-O 3.18Å; K414-L522 PolarHBondContact NZ-O 3.18Å; L518-L522 VanDerWaalsContact O-CB 3.25Å; L518-L522 WeakPolarHBondContact O-CB 3.31Å; L518-L522 PolarHBondContact O-N 3.2Å; S519-L522 PolarHBondContact O-N 2.65Å; C520-L522 VanDerWaalsContact C-N 3.3Å; C520-L522 PolarHBondContact O-N 3.3Å; L522-A596 HydrophobicContact CG-CB 4.42Å
523M88.1Confident86.2Confident16 Ų1638.5 Ų38.58%0.07921%0.213CC..Hα-helixtrans-87.9-22.4-176.7-59.6-53.5-55.200113.9L386 F387 S519 C520 S525 V564 V577 F587 A596 V597 A598L386-M523 HydrophobicContact CD2-CG 3.79Å; L386-M523 HydrophobicContact CD2-SD 3.89Å; F387-M523 HydrophobicContact CE1-SD 4.4Å; F387-M523 HydrophobicContact CZ-SD 4.11Å; S519-M523 VanDerWaalsContact O-CG 3.31Å; S519-M523 WeakPolarHBondContact O-CG 3.37Å; S519-M523 PolarHBondContact O-N 2.9Å; C520-M523 PolarHBondContact O-N 2.96Å; M523-S525 PolarHBondContact O-N 2.9Å; M523-V564 HydrophobicContact CB-CG1 4Å; M523-V577 HydrophobicContact CB-CG2 3.53Å; M523-V577 HydrophobicContact CG-CG1 3.89Å; M523-V577 HydrophobicContact CG-CG2 3.83Å; M523-F587 HydrophobicContact CE-CD1 3.82Å; M523-F587 HydrophobicContact CE-CE1 4.43Å; M523-F587 HydrophobicContact CG-CD1 4.33Å; M523-F587 HydrophobicContact CG-CE1 4.43Å; M523-F587 HydrophobicContact SD-CD1 4.13Å; M523-A596 HydrophobicContact CE-CB 4.09Å; M523-A596 HydrophobicContact SD-CB 3.7Å; M523-V597 VanDerWaalsContact CE-C 3.42Å; M523-V597 WeakPolarHBondContact CE-O 3.46Å; M523-A598 HydrophobicContact CE-CB 4.25Å
524T87.2Confident85.1Confident14 Ų1443.1 Ų43.19%0.08623%0.23CC..  trans-80.6117.2-180-57.40000111.1K414 C520 K526 V527 A544K414-T524 PolarHBondContact NZ-O 2.88Å; C520-T524 WeakPolarHBondContact O-CB 3.37Å; C520-T524 PolarHBondContact O-N 3.1Å; C520-T524 PolarHBondContact O-OG1 2.96Å; T524-K526 PolarHBondContact O-N 2.91Å; T524-K526 VanDerWaalsContact O-N 3.17Å; T524-V527 HydrophobicContact CG2-CG2 3.75Å; T524-V527 PolarHBondContact O-N 3.21Å; T524-A544 HydrophobicContact CG2-CB 3.98Å
525S77.5Confident83.8Confident94 Ų9438.1 Ų38.166%0.65722%0.215SC*.THydrogen-bonded Turntrans-60.8-26.4-174.758.40000114.8M523 R528M523-S525 PolarHBondContact O-N 2.9Å; S525-R528 PolarHBondContact O-NH1 2.89Å
526K82.5Confident82.8Confident78 Ų7841.8 Ų41.834%0.33923%0.228SC..THydrogen-bonded Turntrans-97.317.7-179-65.6-173.1169.1-171.80114.5T524 E543 A544T524-K526 PolarHBondContact O-N 2.91Å; T524-K526 VanDerWaalsContact O-N 3.17Å; K526-E543 HydrophobicContact CB-CB 4.32Å; K526-E543 HydrophobicContact CB-CG 4.33Å; K526-E543 HydrophobicContact CD-CG 4.16Å; K526-E543 WeakPolarHBondContact CD-OE1 3.13Å; K526-E543 WeakPolarHBondContact CE-OE1 3.42Å; K526-E543 HydrophobicContact CG-CG 4.48Å; K526-E543 WeakPolarHBondContact CG-OE1 3.46Å; K526-E543 IonicContact NZ-OE1 3.95Å; K526-A544 HydrophobicContact CB-CB 3.92Å; K526-A544 PolarHBondContact O-N 2.82Å
527V87.9Confident82.2Confident0 Ų041.9 Ų41.90%023%0.229CC..  trans-101.6144.3173.2175.70000109K414 L499 A521 T524 V539 N540 V541 A544K414-V527 WeakPolarHBondContact CD-O 3.49Å; L499-V527 HydrophobicContact CD1-CG2 3.78Å; A521-V527 HydrophobicContact CB-CG1 3.87Å; T524-V527 HydrophobicContact CG2-CG2 3.75Å; T524-V527 PolarHBondContact O-N 3.21Å; V527-V539 HydrophobicContact CG1-CG1 3.27Å; V527-N540 WeakPolarHBondContact CA-O 3.32Å; V527-V541 HydrophobicContact CG1-CG1 4.35Å; V527-V541 HydrophobicContact CG2-CG1 4.25Å; V527-A544 HydrophobicContact CG2-CB 3.96Å
528R88.4Confident81.7Confident58 Ų5844 Ų4422%0.21924%0.242CC..EExtended strand (participates in β ladder)trans-126.4144.5177.9-57.4-68.6175.1-102.40.3110.2K414 N415 S525 V539 N540K414-R528 PolarHBondContact O-NE 2.79Å; K414-R528 PolarHBondContact O-NH1 2.8Å; N415-R528 WeakPolarHBondContact OD1-CD 3.29Å; S525-R528 PolarHBondContact O-NH1 2.89Å; R528-V539 CarbonylContact O-C 3.49Å; R528-N540 HydrophobicContact CB-CB 4.32Å; R528-N540 PolarHBondContact N-O 2.95Å; R528-N540 PolarHBondContact O-N 3.28Å
529F88.4Confident81.6Confident14 Ų1443.9 Ų43.96%0.06124%0.242CC..EExtended strand (participates in β ladder)trans-100.6132.6173.8-65.7-93.3000108.9F412 L518 A521 F531 T537 V539F412-F529 HydrophobicContact CB-CB 4.42Å; F412-F529 HydrophobicContact CB-CD2 4.09Å; F412-F529 HydrophobicContact CB-CG 4.2Å; F412-F529 AromaticContact CD1-CD1 3.94Å; F412-F529 HydrophobicContact CD1-CD1 3.94Å; F412-F529 HydrophobicContact CD1-CD2 4.06Å; F412-F529 AromaticContact CD1-CE1 3.78Å; F412-F529 HydrophobicContact CD1-CE1 3.78Å; F412-F529 AromaticContact CD1-CE2 3.9Å; F412-F529 HydrophobicContact CD1-CE2 3.9Å; F412-F529 HydrophobicContact CD1-CG 4.08Å; F412-F529 AromaticContact CD1-CZ 3.75Å; F412-F529 HydrophobicContact CD1-CZ 3.75Å; F412-F529 HydrophobicContact CE1-CE1 4.2Å; F412-F529 HydrophobicContact CE1-CZ 4.22Å; F412-F529 WeakPolarHBondContact O-CD2 3.45Å; L518-F529 HydrophobicContact CD2-CE1 4.17Å; A521-F529 HydrophobicContact CB-CE1 4.03Å; A521-F529 HydrophobicContact CB-CE2 4.43Å; A521-F529 HydrophobicContact CB-CZ 3.59Å; F529-F531 HydrophobicContact CB-CE1 4.06Å; F529-F531 HydrophobicContact CB-CE2 4.07Å; F529-F531 HydrophobicContact CB-CZ 3.67Å; F529-F531 HydrophobicContact CG-CZ 4.37Å; F529-T537 HydrophobicContact CD1-CG2 3.88Å; F529-V539 HydrophobicContact CD1-CG2 3.94Å; F529-V539 HydrophobicContact CE1-CG2 3.95Å
530H81.9Confident81.6Confident100 Ų10045.6 Ų45.646%0.46325%0.25SC..EExtended strand (participates in β ladder)trans-114.7132.2169.2-72.3-87.8000108.5P532 V538H530-P532 WeakPolarHBondContact O-CD 3.15Å; H530-V538 HydrophobicContact CB-CB 4.42Å; H530-V538 PolarHBondContact N-O 2.87Å; H530-V538 PolarHBondContact O-N 2.89Å
531F78.9Confident81.5Confident86 Ų8645.4 Ų45.438%0.37725%0.249SC..  trans-115.278.5-177.6-55.4-59.8000109.4F412 N468 F529 T537F412-F531 HydrophobicContact CB-CE2 4.17Å; F412-F531 HydrophobicContact CB-CZ 3.66Å; F412-F531 HydrophobicContact CG-CZ 4.23Å; N468-F531 HydrophobicContact CB-CD1 4.01Å; N468-F531 HydrophobicContact CB-CE1 3.71Å; N468-F531 WeakPolarHBondContact ND2-CD1 3.27Å; F529-F531 HydrophobicContact CB-CE1 4.06Å; F529-F531 HydrophobicContact CB-CE2 4.07Å; F529-F531 HydrophobicContact CB-CZ 3.67Å; F529-F531 HydrophobicContact CG-CZ 4.37Å; F531-T537 HydrophobicContact CD1-CG2 3.89Å; F531-T537 HydrophobicContact CE1-CG2 3.66Å
532P67.7Low81.4Confident51 Ų5148.3 Ų48.333%0.33127%0.266SS..  trans-65.3156.7176.627.7-33.7000111.7H530 D534 G535 R536 V538H530-P532 WeakPolarHBondContact O-CD 3.15Å; P532-D534 VanDerWaalsContact CB-OD1 3.22Å; P532-D534 WeakPolarHBondContact CB-OD1 3.34Å; P532-D534 WeakPolarHBondContact CG-OD1 3.39Å; P532-D534 PolarHBondContact O-N 3.33Å; P532-G535 PolarHBondContact O-N 3.11Å; P532-R536 WeakPolarHBondContact CD-O 3.32Å; P532-R536 WeakPolarHBondContact CG-O 3.41Å; P532-V538 HydrophobicContact CG-CG2 4.17Å
533A65.3Low81.2Confident107 Ų10752.6 Ų52.688%0.88429%0.287SS*.THydrogen-bonded Turntrans-69.4-14.9-175.200000113.8G535A533-G535 PolarHBondContact O-N 3.06Å
534D64Low81.1Confident130 Ų13051.9 Ų51.970%0.69528%0.283SS*.THydrogen-bonded Turntrans-78.56.8175.663.8-5000113.4P532 R536P532-D534 VanDerWaalsContact CB-OD1 3.22Å; P532-D534 WeakPolarHBondContact CB-OD1 3.34Å; P532-D534 WeakPolarHBondContact CG-OD1 3.39Å; P532-D534 PolarHBondContact O-N 3.33Å; D534-R536 PolarHBondContact O-N 2.9Å
535G63.8Low81Confident11 Ų1153 Ų5311%0.11329%0.288CS..SBendtrans88-10.7164.900000115.6P532 A533P532-G535 PolarHBondContact O-N 3.11Å; A533-G535 PolarHBondContact O-N 3.06Å
536R73Confident81.3Confident100 Ų10054.2 Ų54.238%0.37729%0.287SS..  trans-99.4126179.6-66.3-166.9-172.5-172.23.2112.4T488 D489 P532 D534 V538T488-R536 VanDerWaalsContact CG2-NH2 3.29Å; D489-R536 IonicContact OD1-CZ 3.77Å; D489-R536 IonicContact OD1-NH1 2.73Å; D489-R536 PolarHBondContact OD1-NH1 3.11Å; D489-R536 IonicContact OD1-NH2 3.95Å; D489-R536 IonicContact OD2-NH1 3.74Å; P532-R536 WeakPolarHBondContact CD-O 3.32Å; P532-R536 WeakPolarHBondContact CG-O 3.41Å; D534-R536 PolarHBondContact O-N 2.9Å; R536-V538 PolarHBondContact O-N 3.39Å
537T80Confident80.7Confident3 Ų351.8 Ų51.82%0.01828%0.28CS..  trans-69.8125.7177.4-620000111.2N468 N508 F529 F531 V539N468-T537 WeakPolarHBondContact CB-OG1 3.29Å; N468-T537 PolarHBondContact ND2-OG1 2.95Å; N508-T537 VanDerWaalsContact ND2-CB 3.32Å; N508-T537 WeakPolarHBondContact ND2-CB 3.08Å; N508-T537 WeakPolarHBondContact ND2-CG2 3.38Å; F529-T537 HydrophobicContact CD1-CG2 3.88Å; F531-T537 HydrophobicContact CD1-CG2 3.89Å; F531-T537 HydrophobicContact CE1-CG2 3.66Å; T537-V539 HydrophobicContact CG2-CG2 4.31Å
538V82.8Confident79.2Confident45 Ų4558.6 Ų58.627%0.27332%0.321SS..EExtended strand (participates in β ladder)trans-105.8125.9174.2-179.20000109.7H530 P532 R536H530-V538 HydrophobicContact CB-CB 4.42Å; H530-V538 PolarHBondContact N-O 2.87Å; H530-V538 PolarHBondContact O-N 2.89Å; P532-V538 HydrophobicContact CG-CG2 4.17Å; R536-V538 PolarHBondContact O-N 3.39Å
539V90.7Very high77.8Confident0 Ų057.6 Ų57.60%032%0.324CS..EExtended strand (participates in β ladder)trans-101.4115.8-177.4-174.10000110.8N508 R509 T510 S511 V516 A521 V527 R528 F529 T537 V541N508-V539 HydrophobicContact CB-CG2 3.71Å; R509-V539 PolarHBondContact O-N 2.82Å; T510-V539 CarbonylContact C-O 3.51Å; T510-V539 WeakPolarHBondContact CA-O 3.16Å; T510-V539 WeakPolarHBondContact CB-O 3.39Å; S511-V539 PolarHBondContact N-O 3.41Å; V516-V539 HydrophobicContact CG1-CB 3.75Å; V516-V539 HydrophobicContact CG1-CG1 3.79Å; V516-V539 HydrophobicContact CG1-CG2 4.02Å; A521-V539 HydrophobicContact CB-CG1 3.81Å; V527-V539 HydrophobicContact CG1-CG1 3.27Å; R528-V539 CarbonylContact O-C 3.49Å; F529-V539 HydrophobicContact CD1-CG2 3.94Å; F529-V539 HydrophobicContact CE1-CG2 3.95Å; T537-V539 HydrophobicContact CG2-CG2 4.31Å; V539-V541 HydrophobicContact CG1-CG1 4.09Å; V539-V541 PolarHBondContact O-N 2.83Å
540N91.2Very high76.6Confident44 Ų4466.1 Ų66.124%0.23536%0.361CS..EExtended strand (participates in β ladder)trans-86.4114.2175.2-171.4-20.2000110.5V527 R528 T542V527-N540 WeakPolarHBondContact CA-O 3.32Å; R528-N540 HydrophobicContact CB-CB 4.32Å; R528-N540 PolarHBondContact N-O 2.95Å; R528-N540 PolarHBondContact O-N 3.28Å; N540-T542 VanDerWaalsContact OD1-CB 3.25Å; N540-T542 WeakPolarHBondContact OD1-CB 3.49Å; N540-T542 PolarHBondContact OD1-N 3.49Å; N540-T542 PolarHBondContact OD1-OG1 2.89Å
541V90.7Very high76.3Confident0 Ų064.5 Ų64.50%036%0.355CS..  trans-107.91.5-179.3-640000113V498 L499 T510 V516 V527 V539 E543 A544 L545V498-V541 HydrophobicContact CG1-CB 4.46Å; V498-V541 HydrophobicContact CG1-CG1 4.25Å; V498-V541 HydrophobicContact CG1-CG2 4.12Å; L499-V541 HydrophobicContact CD1-CG1 4.43Å; L499-V541 HydrophobicContact CD2-CG1 4.48Å; T510-V541 HydrophobicContact CG2-CB 4.48Å; T510-V541 HydrophobicContact CG2-CG1 3.75Å; T510-V541 HydrophobicContact CG2-CG2 3.86Å; V516-V541 HydrophobicContact CB-CG1 4.47Å; V516-V541 HydrophobicContact CG2-CG1 4.29Å; V527-V541 HydrophobicContact CG1-CG1 4.35Å; V527-V541 HydrophobicContact CG2-CG1 4.25Å; V539-V541 HydrophobicContact CG1-CG1 4.09Å; V539-V541 PolarHBondContact O-N 2.83Å; V541-E543 PolarHBondContact O-N 2.78Å; V541-A544 WeakPolarHBondContact O-CB 3.29Å; V541-A544 PolarHBondContact O-N 3.48Å; V541-A544 VanDerWaalsContact O-N 3.16Å; V541-L545 HydrophobicContact CB-CD1 4.2Å; V541-L545 HydrophobicContact CB-CG 4.29Å; V541-L545 HydrophobicContact CG2-CD1 3.6Å; V541-L545 HydrophobicContact CG2-CG 4.22Å; V541-L545 WeakPolarHBondContact O-CG 3.36Å; V541-L545 PolarHBondContact O-N 3.07Å
542T89.1Confident76.5Confident60 Ų6062.9 Ų62.937%0.36835%0.354SS..Hα-helixtrans-57.7-47.2-168.7-50.80000112N540 L545 N546N540-T542 VanDerWaalsContact OD1-CB 3.25Å; N540-T542 WeakPolarHBondContact OD1-CB 3.49Å; N540-T542 PolarHBondContact OD1-N 3.49Å; N540-T542 PolarHBondContact OD1-OG1 2.89Å; T542-L545 PolarHBondContact O-N 2.97Å; T542-N546 WeakPolarHBondContact O-CB 3.24Å; T542-N546 VanDerWaalsContact O-CG 3.3Å; T542-N546 PolarHBondContact O-N 2.84Å
543E86.7Confident77.4Confident94 Ų9460.5 Ų60.544%0.43934%0.339SS..Hα-helixtrans-66.5-41.3179.9-164.4-161.914600111.8K526 V541 L545 N546 S547K526-E543 HydrophobicContact CB-CB 4.32Å; K526-E543 HydrophobicContact CB-CG 4.33Å; K526-E543 HydrophobicContact CD-CG 4.16Å; K526-E543 WeakPolarHBondContact CD-OE1 3.13Å; K526-E543 WeakPolarHBondContact CE-OE1 3.42Å; K526-E543 HydrophobicContact CG-CG 4.48Å; K526-E543 WeakPolarHBondContact CG-OE1 3.46Å; K526-E543 IonicContact NZ-OE1 3.95Å; V541-E543 PolarHBondContact O-N 2.78Å; E543-L545 VanDerWaalsContact C-N 3.33Å; E543-L545 PolarHBondContact O-N 3.05Å; E543-N546 PolarHBondContact O-N 3.1Å; E543-S547 WeakPolarHBondContact O-CB 3.33Å; E543-S547 PolarHBondContact O-N 2.82Å
544A85.8Confident78.4Confident1 Ų159.3 Ų59.31%0.00832%0.321CS..Hα-helixtrans-59.3-45.8175.500000111.2L499 T524 K526 V527 V541 S547 R562L499-A544 HydrophobicContact CD2-CB 4.21Å; T524-A544 HydrophobicContact CG2-CB 3.98Å; K526-A544 HydrophobicContact CB-CB 3.92Å; K526-A544 PolarHBondContact O-N 2.82Å; V527-A544 HydrophobicContact CG2-CB 3.96Å; V541-A544 WeakPolarHBondContact O-CB 3.29Å; V541-A544 PolarHBondContact O-N 3.48Å; V541-A544 VanDerWaalsContact O-N 3.16Å; A544-S547 PolarHBondContact O-OG 3.43Å; A544-R562 WeakPolarHBondContact O-CD 3.43Å; A544-R562 PolarHBondContact O-NE 2.95Å; A544-R562 PolarHBondContact O-NH2 3.13Å
545L84.9Confident79.3Confident36 Ų3654.9 Ų54.919%0.18829%0.294CS..Hα-helixtrans-74.9-26.7-178.4-65.6-179.5000114.3V498 L499 V541 T542 E543 R562V498-L545 HydrophobicContact CG1-CD1 4.45Å; V498-L545 HydrophobicContact CG2-CD1 3.64Å; V498-L545 HydrophobicContact CG2-CD2 4.13Å; L499-L545 HydrophobicContact CD2-CD2 3.99Å; V541-L545 HydrophobicContact CB-CD1 4.2Å; V541-L545 HydrophobicContact CB-CG 4.29Å; V541-L545 HydrophobicContact CG2-CD1 3.6Å; V541-L545 HydrophobicContact CG2-CG 4.22Å; V541-L545 WeakPolarHBondContact O-CG 3.36Å; V541-L545 PolarHBondContact O-N 3.07Å; T542-L545 PolarHBondContact O-N 2.97Å; E543-L545 VanDerWaalsContact C-N 3.33Å; E543-L545 PolarHBondContact O-N 3.05Å; L545-R562 VanDerWaalsContact C-NH2 3.31Å; L545-R562 HydrophobicContact CD2-CG 4.31Å; L545-R562 PolarHBondContact O-NH2 2.82Å
546N83Confident80.1Confident120 Ų12054.6 Ų54.664%0.64229%0.291SS*.Hα-helixtrans-87.3-17.3175.9-70.4-14000113T542 E543 V548T542-N546 WeakPolarHBondContact O-CB 3.24Å; T542-N546 VanDerWaalsContact O-CG 3.3Å; T542-N546 PolarHBondContact O-N 2.84Å; E543-N546 PolarHBondContact O-N 3.1Å; N546-V548 PolarHBondContact O-N 2.79Å
547S70.9Confident80.5Confident27 Ų2753 Ų5319%0.18929%0.292CS..SBendtrans-61.4133.117775.90000110.6E543 A544 S549 R562E543-S547 WeakPolarHBondContact O-CB 3.33Å; E543-S547 PolarHBondContact O-N 2.82Å; A544-S547 PolarHBondContact O-OG 3.43Å; S547-S549 PolarHBondContact O-N 2.8Å; S547-R562 PolarHBondContact O-NH1 3.23Å; S547-R562 PolarHBondContact O-NH2 3.08Å; S547-R562 PolarHBondContact OG-NH1 2.75Å
548V55.8Low80.3Confident143 Ų14353.3 Ų53.387%0.86729%0.294SS*.  trans-79.9106.1177.7-173.70000107.8N546N546-V548 PolarHBondContact O-N 2.79Å
549S58.7Low79.8Confident38 Ų3858.9 Ų58.927%0.26632%0.315SS..  trans-131.1111.4172.879.30000110.4S547 L551 R562S547-S549 PolarHBondContact O-N 2.8Å; S549-L551 PolarHBondContact O-N 2.94Å; S549-L551 VanDerWaalsContact O-N 3.09Å; S549-R562 PolarHBondContact OG-NH1 2.64Å
550K64.2Low78.7Confident193 Ų19364 Ų6484%0.83934%0.341SS*.  trans-76.222.4171.4-66.6-177.8178177.80112.5
551L74.4Confident77.8Confident66 Ų6662.8 Ų62.835%0.34634%0.339SS..  trans-77.1130.3-171.8-60.7171.9000109.6S549 P563 V565 T574S549-L551 PolarHBondContact O-N 2.94Å; S549-L551 VanDerWaalsContact O-N 3.09Å; L551-P563 HydrophobicContact CB-CG 4.41Å; L551-V565 HydrophobicContact CD1-CG2 4.22Å; L551-T574 HydrophobicContact CB-CG2 4.34Å; L551-T574 HydrophobicContact CD1-CG2 4.2Å; L551-T574 HydrophobicContact CD2-CG2 3.96Å; L551-T574 HydrophobicContact CG-CG2 4.37Å
552S84.3Confident77.3Confident52 Ų5264.8 Ų64.836%0.36435%0.347SS..  trans-105.9133.3174.154.30000109.7T554 S558 T574S552-T554 PolarHBondContact O-N 2.86Å; S552-S558 WeakPolarHBondContact CA-O 3.44Å; S552-T574 PolarHBondContact O-OG1 3.29Å
553C85.7Confident76.9Confident0 Ų062.6 Ų62.60%033%0.333CS..  trans-59.1124.6173.1176.60000110Y555 C556 T557 S558 P563 H576C553-Y555 PolarHBondContact O-N 2.96Å; C553-C556 WeakPolarHBondContact CB-SG 3.1Å; C553-T557 WeakPolarHBondContact O-CA 3.38Å; C553-T557 PolarHBondContact O-N 2.98Å; C553-S558 PolarHBondContact N-O 3.07Å; C553-S558 VanDerWaalsContact N-O 3.07Å; C553-P563 HydrophobicContact CB-CG 4.36Å; C553-H576 PolarHBondContact SG-N 2.79Å; C553-H576 VanDerWaalsContact SG-N 3.4Å
554T86.7Confident76.9Confident82 Ų8258.8 Ų58.850%0.50332%0.316SS..THydrogen-bonded Turntrans-60.9-31179.9-61.70000112.3S552 T573 T574S552-T554 PolarHBondContact O-N 2.86Å; T554-T573 HydrophobicContact CG2-CG2 4.43Å; T554-T574 WeakPolarHBondContact CB-O 3.33Å; T554-T574 PolarHBondContact N-O 3.22Å; T554-T574 PolarHBondContact OG1-O 2.8Å; T554-T574 VanDerWaalsContact OG1-O 3.04Å
555Y82.5Confident76.8Confident37 Ų3761.8 Ų61.815%0.14534%0.335CS..THydrogen-bonded Turntrans-84-51.5-177.6-58-66.8000112.6F352 C553 F575 C579 S583 V585F352-Y555 WeakPolarHBondContact CE1-O 3.45Å; C553-Y555 PolarHBondContact O-N 2.96Å; Y555-F575 HydrophobicContact CD2-CB 3.43Å; Y555-F575 VanDerWaalsContact CD2-CB 3.43Å; Y555-F575 HydrophobicContact CD2-CG 4.2Å; Y555-F575 HydrophobicContact CE2-CB 3.47Å; Y555-F575 VanDerWaalsContact CE2-CB 3.47Å; Y555-F575 AromaticContact CE2-CD1 3.87Å; Y555-F575 HydrophobicContact CE2-CD1 3.87Å; Y555-F575 AromaticContact CE2-CG 3.72Å; Y555-F575 HydrophobicContact CE2-CG 3.72Å; Y555-C579 HydrophobicContact CD2-CB 4.19Å; Y555-S583 WeakPolarHBondContact CD1-OG 3.3Å; Y555-S583 VanDerWaalsContact CE1-CB 3.46Å; Y555-V585 HydrophobicContact CE2-CG2 3.63Å; Y555-V585 WeakPolarHBondContact OH-CG2 3.27Å
556C80.7Confident76.7Confident5 Ų560.4 Ų60.43%0.03433%0.328CS..THydrogen-bonded Turntrans-981.8-174.877.60000114.3F352 C553 S558 H576F352-C556 HydrophobicContact CZ-CB 3.85Å; C553-C556 WeakPolarHBondContact CB-SG 3.1Å; C556-S558 PolarHBondContact O-N 3.26Å; C556-H576 PolarHBondContact SG-ND1 2.86Å
557T81.8Confident76.5Confident66 Ų6656.4 Ų56.441%0.40531%0.309SS..  trans56.8-8.6-179.170.40000116.7C553C553-T557 WeakPolarHBondContact O-CA 3.38Å; C553-T557 PolarHBondContact O-N 2.98Å
558S76.2Confident76.5Confident10 Ų1059.5 Ų59.57%0.0732%0.317CS..  trans-61.8137.1178.6-1770000112S552 C553 C556 I560S552-S558 WeakPolarHBondContact CA-O 3.44Å; C553-S558 PolarHBondContact N-O 3.07Å; C553-S558 VanDerWaalsContact N-O 3.07Å; C556-S558 PolarHBondContact O-N 3.26Å; S558-I560 VanDerWaalsContact C-N 3.33Å; S558-I560 WeakPolarHBondContact OG-CA 3.39Å; S558-I560 VanDerWaalsContact OG-CB 3.26Å; S558-I560 WeakPolarHBondContact OG-CB 3.5Å; S558-I560 PolarHBondContact OG-N 3.31Å; S558-I560 PolarHBondContact OG-O 2.83Å
559K72.6Confident77.1Confident163 Ų16356.3 Ų56.371%0.70931%0.313SS*.  trans-89.2-4.7165.7-63.2179.3-179.1175.40112.2
560I67.1Low77.8Confident106 Ų10659.7 Ų59.754%0.54434%0.337SS..SBendtrans-82.9123179.2-55.1172.9000107.9S558 H576S558-I560 VanDerWaalsContact C-N 3.33Å; S558-I560 WeakPolarHBondContact OG-CA 3.39Å; S558-I560 VanDerWaalsContact OG-CB 3.26Å; S558-I560 WeakPolarHBondContact OG-CB 3.5Å; S558-I560 PolarHBondContact OG-N 3.31Å; S558-I560 PolarHBondContact OG-O 2.83Å; I560-H576 PolarHBondContact O-CE1 2.93Å; I560-H576 PolarHBondContact O-NE2 2.8Å; I560-H576 VanDerWaalsContact O-NE2 3.16Å
561G72.3Confident78.4Confident19 Ų1951.3 Ų51.320%0.19630%0.302CS..SBendtrans111.7-166.3-179.100000113.1L499L499-G561 CarbonylContact O-C 3.05Å; L499-G561 VanDerWaalsContact O-CA 3.23Å; L499-G561 WeakPolarHBondContact O-CA 3.33Å
562R79.2Confident78.7Confident43 Ų4354.9 Ų54.916%0.16232%0.322CS..  trans-128.584-178.8-63.7-60.9174.1171.74.1108.8L499 A544 L545 S547 S549L499-R562 HydrophobicContact CB-CB 4.5Å; L499-R562 HydrophobicContact CD2-CB 4.08Å; L499-R562 HydrophobicContact CD2-CG 3.85Å; L499-R562 PolarHBondContact O-N 3.26Å; A544-R562 WeakPolarHBondContact O-CD 3.43Å; A544-R562 PolarHBondContact O-NE 2.95Å; A544-R562 PolarHBondContact O-NH2 3.13Å; L545-R562 VanDerWaalsContact C-NH2 3.31Å; L545-R562 HydrophobicContact CD2-CG 4.31Å; L545-R562 PolarHBondContact O-NH2 2.82Å; S547-R562 PolarHBondContact O-NH1 3.23Å; S547-R562 PolarHBondContact O-NH2 3.08Å; S547-R562 PolarHBondContact OG-NH1 2.75Å; S549-R562 PolarHBondContact OG-NH1 2.64Å
563P80.7Confident78.7Confident13 Ų1354 Ų548%0.08431%0.314CS..  trans-56.7141.6171.3-22.433.4000110.9L551 C553 F575L551-P563 HydrophobicContact CB-CG 4.41Å; C553-P563 HydrophobicContact CB-CG 4.36Å; P563-F575 CarbonylContact C-O 3.51Å; P563-F575 WeakPolarHBondContact CA-O 3.3Å
564V87Confident78.7Confident14 Ų1454.3 Ų54.39%0.08532%0.316CS..EExtended strand (participates in β ladder)trans-82.6157.6164.7-62.90000109.3M523 T574 F575 V577 A598M523-V564 HydrophobicContact CB-CG1 4Å; V564-T574 CarbonylContact O-C 3.5Å; V564-T574 WeakPolarHBondContact O-CA 3.43Å; V564-T574 WeakPolarHBondContact O-CB 3.23Å; V564-F575 HydrophobicContact CG2-CD2 3.78Å; V564-F575 HydrophobicContact CG2-CE2 3.54Å; V564-F575 HydrophobicContact CG2-CZ 4.39Å; V564-F575 VanDerWaalsContact CG2-O 3.3Å; V564-F575 WeakPolarHBondContact CG2-O 3.28Å; V564-F575 PolarHBondContact N-O 2.75Å; V564-F575 PolarHBondContact O-N 2.92Å; V564-V577 HydrophobicContact CG1-CG2 3.95Å; V564-V577 HydrophobicContact CG2-CG2 4.26Å; V564-A598 HydrophobicContact CG2-CB 4.35Å
565V84.6Confident78.8Confident65 Ų6550.4 Ų50.439%0.39429%0.292SS..EExtended strand (participates in β ladder)trans-104.9142.2179.7-170.70000108.6L551 C567 T574L551-V565 HydrophobicContact CD1-CG2 4.22Å; V565-C567 PolarHBondContact O-N 3.46Å; V565-T574 HydrophobicContact CB-CG2 4.41Å; V565-T574 HydrophobicContact CG1-CG2 4.3Å; V565-T574 HydrophobicContact CG2-CG2 3.87Å
566C83.4Confident79.1Confident7 Ų748.9 Ų48.95%0.04729%0.286CS..  trans-51.9131.1168.5-176.90000110.3Y568 C571 T573 A598 C600C566-Y568 VanDerWaalsContact C-N 3.29Å; C566-Y568 PolarHBondContact O-N 3.04Å; C566-C571 HydrophobicContact CB-CB 3.92Å; C566-C571 WeakPolarHBondContact CB-SG 3.37Å; C566-C571 VanDerWaalsContact SG-SG 3.61Å; C566-T573 PolarHBondContact N-O 3.18Å; C566-A598 CarbonylContact C-O 3.56Å; C566-A598 WeakPolarHBondContact CA-O 3.32Å; C566-C600 HydrophobicContact CB-CB 4.34Å; C566-C600 PolarHBondContact SG-N 2.9Å; C566-C600 VanDerWaalsContact SG-N 3.39Å
567C78.3Confident79.5Confident35 Ų3548.8 Ų48.824%0.23629%0.286CS..  trans-83.7-1.5-178.671.40000113.9V565 G569 V597 A598 M599V565-C567 PolarHBondContact O-N 3.46Å; C567-G569 PolarHBondContact O-N 2.97Å; C567-V597 HydrophobicContact CB-CB 3.92Å; C567-V597 HydrophobicContact CB-CG1 4.16Å; C567-A598 PolarHBondContact N-O 2.99Å; C567-A598 PolarHBondContact SG-O 2.97Å; C567-M599 VanDerWaalsContact SG-CG 3.53Å
568Y70Confident79.7Confident92 Ų9245.8 Ų45.836%0.36127%0.267SS..SBendtrans-82.7112.4-173.6-169.8-89.9000111.8C566 S570 C571 H603C566-Y568 VanDerWaalsContact C-N 3.29Å; C566-Y568 PolarHBondContact O-N 3.04Å; Y568-S570 PolarHBondContact O-N 3.47Å; Y568-C571 WeakPolarHBondContact O-CB 3.34Å; Y568-C571 PolarHBondContact O-N 2.7Å; Y568-H603 HydrophobicContact CD1-CB 4Å; Y568-H603 AromaticContact CD1-CD2 3.23Å; Y568-H603 WeakPolarHBondContact CD1-CD2 3.44Å; Y568-H603 AromaticContact CD1-CG 3.57Å; Y568-H603 AromaticContact CD1-NE2 3.77Å; Y568-H603 HydrophobicContact CD2-CB 4.26Å; Y568-H603 AromaticContact CE1-CD2 3.62Å; Y568-H603 HydrophobicContact CG-CB 3.71Å; Y568-H603 AromaticContact CG-CD2 3.9Å; Y568-H603 AromaticContact CG-CG 3.78Å
569G69.2Low80Confident77 Ų7745.7 Ų45.779%0.79427%0.267SS*.THydrogen-bonded Turntrans53.9-121.8174.100000112.8C567C567-G569 PolarHBondContact O-N 2.97Å
570S73.5Confident80.6Confident109 Ų10937.9 Ų37.976%0.76223%0.233SC*.THydrogen-bonded Turntrans-101.818.6175.955.50000113.2Y568 N572Y568-S570 PolarHBondContact O-N 3.47Å; S570-N572 PolarHBondContact O-N 2.85Å
571C76.4Confident81.3Confident16 Ų1634.4 Ų34.411%0.10821%0.213CC..  trans-63.3125.4179.5-177.30000110.8C566 Y568 T573 H603C566-C571 HydrophobicContact CB-CB 3.92Å; C566-C571 WeakPolarHBondContact CB-SG 3.37Å; C566-C571 VanDerWaalsContact SG-SG 3.61Å; Y568-C571 WeakPolarHBondContact O-CB 3.34Å; Y568-C571 PolarHBondContact O-N 2.7Å; C571-T573 PolarHBondContact SG-N 2.79Å; C571-T573 PolarHBondContact SG-OG1 2.82Å; C571-H603 PolarHBondContact SG-CE1 3.03Å; C571-H603 PolarHBondContact SG-ND1 2.65Å
572N80.6Confident81.6Confident141 Ų14137.3 Ų37.375%0.75422%0.22SC*.  trans-104.112.5179.4-64.8-42.3000112.8S570 T574S570-N572 PolarHBondContact O-N 2.85Å; N572-T574 VanDerWaalsContact O-CG2 3.23Å; N572-T574 WeakPolarHBondContact O-CG2 3.19Å; N572-T574 PolarHBondContact O-N 3.34Å
573T83.5Confident81.4Confident34 Ų3436.7 Ų36.721%0.20922%0.222CC..  trans-62.8129175.3-54.50000108.9T554 C566 C571 F575 C600T554-T573 HydrophobicContact CG2-CG2 4.43Å; C566-T573 PolarHBondContact N-O 3.18Å; C571-T573 PolarHBondContact SG-N 2.79Å; C571-T573 PolarHBondContact SG-OG1 2.82Å; T573-F575 HydrophobicContact CG2-CD1 4.2Å; T573-F575 HydrophobicContact CG2-CE1 4.42Å; T573-C600 HydrophobicContact CG2-CB 3.77Å
574T87.7Confident80.9Confident7 Ų738 Ų384%0.04323%0.229CC..EExtended strand (participates in β ladder)trans-125.2145.2-177.978.40000111.5L551 S552 T554 V564 V565 N572L551-T574 HydrophobicContact CB-CG2 4.34Å; L551-T574 HydrophobicContact CD1-CG2 4.2Å; L551-T574 HydrophobicContact CD2-CG2 3.96Å; L551-T574 HydrophobicContact CG-CG2 4.37Å; S552-T574 PolarHBondContact O-OG1 3.29Å; T554-T574 WeakPolarHBondContact CB-O 3.33Å; T554-T574 PolarHBondContact N-O 3.22Å; T554-T574 PolarHBondContact OG1-O 2.8Å; T554-T574 VanDerWaalsContact OG1-O 3.04Å; V564-T574 CarbonylContact O-C 3.5Å; V564-T574 WeakPolarHBondContact O-CA 3.43Å; V564-T574 WeakPolarHBondContact O-CB 3.23Å; V565-T574 HydrophobicContact CB-CG2 4.41Å; V565-T574 HydrophobicContact CG1-CG2 4.3Å; V565-T574 HydrophobicContact CG2-CG2 3.87Å; N572-T574 VanDerWaalsContact O-CG2 3.23Å; N572-T574 WeakPolarHBondContact O-CG2 3.19Å; N572-T574 PolarHBondContact O-N 3.34Å
575F88.3Confident80.4Confident0 Ų037.8 Ų37.80%023%0.227CC..EExtended strand (participates in β ladder)trans-156.3151-179.742-95.2000110.8Y555 P563 V564 T573 V585 A598 C600Y555-F575 HydrophobicContact CD2-CB 3.43Å; Y555-F575 VanDerWaalsContact CD2-CB 3.43Å; Y555-F575 HydrophobicContact CD2-CG 4.2Å; Y555-F575 HydrophobicContact CE2-CB 3.47Å; Y555-F575 VanDerWaalsContact CE2-CB 3.47Å; Y555-F575 AromaticContact CE2-CD1 3.87Å; Y555-F575 HydrophobicContact CE2-CD1 3.87Å; Y555-F575 AromaticContact CE2-CG 3.72Å; Y555-F575 HydrophobicContact CE2-CG 3.72Å; P563-F575 CarbonylContact C-O 3.51Å; P563-F575 WeakPolarHBondContact CA-O 3.3Å; V564-F575 HydrophobicContact CG2-CD2 3.78Å; V564-F575 HydrophobicContact CG2-CE2 3.54Å; V564-F575 HydrophobicContact CG2-CZ 4.39Å; V564-F575 VanDerWaalsContact CG2-O 3.3Å; V564-F575 WeakPolarHBondContact CG2-O 3.28Å; V564-F575 PolarHBondContact N-O 2.75Å; V564-F575 PolarHBondContact O-N 2.92Å; T573-F575 HydrophobicContact CG2-CD1 4.2Å; T573-F575 HydrophobicContact CG2-CE1 4.42Å; F575-V585 HydrophobicContact CD1-CG2 4.26Å; F575-V585 HydrophobicContact CD2-CG1 4.21Å; F575-V585 HydrophobicContact CD2-CG2 4.18Å; F575-V585 HydrophobicContact CE1-CG1 4.2Å; F575-V585 HydrophobicContact CE1-CG2 4.16Å; F575-V585 HydrophobicContact CE2-CB 4.26Å; F575-V585 HydrophobicContact CE2-CG1 3.39Å; F575-V585 HydrophobicContact CE2-CG2 4.1Å; F575-V585 HydrophobicContact CG-CG2 4.28Å; F575-V585 HydrophobicContact CZ-CB 4.38Å; F575-V585 HydrophobicContact CZ-CG1 3.37Å; F575-V585 HydrophobicContact CZ-CG2 4.08Å; F575-A598 HydrophobicContact CE2-CB 3.69Å; F575-A598 HydrophobicContact CZ-CB 3.76Å; F575-C600 HydrophobicContact CE1-CB 3.99Å
576H88.3Confident79.9Confident4 Ų435.2 Ų35.22%0.01921%0.212CC..  trans-65.1147.3165.9-61.6127000109.7C500 C553 C556 I560 S578 C579 G580C500-H576 HydrophobicContact CB-CB 4.04Å; C553-H576 PolarHBondContact SG-N 2.79Å; C553-H576 VanDerWaalsContact SG-N 3.4Å; C556-H576 PolarHBondContact SG-ND1 2.86Å; I560-H576 PolarHBondContact O-CE1 2.93Å; I560-H576 PolarHBondContact O-NE2 2.8Å; I560-H576 VanDerWaalsContact O-NE2 3.16Å; H576-S578 VanDerWaalsContact C-N 3.34Å; H576-S578 PolarHBondContact O-N 2.92Å; H576-C579 HydrophobicContact CB-CB 3.99Å; H576-C579 WeakPolarHBondContact O-CB 3.46Å; H576-C579 PolarHBondContact O-N 3Å; H576-C579 VanDerWaalsContact O-N 3.09Å; H576-G580 PolarHBondContact O-N 3.5Å
577V89.6Confident79.8Confident4 Ų435.5 Ų35.52%0.02421%0.212CC..Hα-helixtrans-54.1-51.4178.9-179.60000111.1L386 M523 V564 C579 G580 W581 F587L386-V577 HydrophobicContact CD1-CG1 3.86Å; L386-V577 HydrophobicContact CD2-CG1 3.92Å; M523-V577 HydrophobicContact CB-CG2 3.53Å; M523-V577 HydrophobicContact CG-CG1 3.89Å; M523-V577 HydrophobicContact CG-CG2 3.83Å; V564-V577 HydrophobicContact CG1-CG2 3.95Å; V564-V577 HydrophobicContact CG2-CG2 4.26Å; V577-C579 VanDerWaalsContact C-N 3.33Å; V577-C579 PolarHBondContact O-N 3.36Å; V577-G580 PolarHBondContact O-N 3.38Å; V577-W581 WeakPolarHBondContact O-CB 3.4Å; V577-W581 PolarHBondContact O-N 2.96Å; V577-F587 HydrophobicContact CG1-CE1 3.92Å; V577-F587 HydrophobicContact CG1-CZ 4.19Å
578S85.3Confident79.5Confident2 Ų236.3 Ų36.31%0.01421%0.213CC..Hα-helixtrans-63.9-35.2178.2-50.50000113E505 H576 K582E505-S578 VanDerWaalsContact OE1-CB 3.25Å; E505-S578 WeakPolarHBondContact OE1-CB 3.41Å; E505-S578 PolarHBondContact OE1-OG 3.25Å; E505-S578 PolarHBondContact OE2-OG 3.38Å; H576-S578 VanDerWaalsContact C-N 3.34Å; H576-S578 PolarHBondContact O-N 2.92Å; S578-K582 WeakPolarHBondContact O-CB 3.29Å; S578-K582 VanDerWaalsContact O-CG 3.25Å; S578-K582 WeakPolarHBondContact O-CG 3.37Å; S578-K582 PolarHBondContact O-N 2.81Å
579C83.6Confident79.5Confident8 Ų834.6 Ų34.65%0.05421%0.209CC..Hα-helixtrans-67-47.3174.7-68.90000110.6Y555 H576 V577 W581 K582 S583Y555-C579 HydrophobicContact CD2-CB 4.19Å; H576-C579 HydrophobicContact CB-CB 3.99Å; H576-C579 WeakPolarHBondContact O-CB 3.46Å; H576-C579 PolarHBondContact O-N 3Å; H576-C579 VanDerWaalsContact O-N 3.09Å; V577-C579 VanDerWaalsContact C-N 3.33Å; V577-C579 PolarHBondContact O-N 3.36Å; C579-W581 PolarHBondContact O-N 2.87Å; C579-K582 PolarHBondContact O-N 3.05Å; C579-S583 VanDerWaalsContact O-CB 3.31Å; C579-S583 WeakPolarHBondContact O-CB 3.37Å; C579-S583 PolarHBondContact O-N 3.32Å; C579-S583 PolarHBondContact O-OG 3.1Å; C579-S583 VanDerWaalsContact O-OG 3.12Å
580G83.7Confident79.1Confident0 Ų035.7 Ų35.70%019%0.189CC..Hα-helixtrans-58.9-47.9176.800000111.5H576 V577 K582 S583 D584 V585H576-G580 PolarHBondContact O-N 3.5Å; V577-G580 PolarHBondContact O-N 3.38Å; G580-K582 VanDerWaalsContact C-N 3.32Å; G580-K582 PolarHBondContact O-N 2.92Å; G580-S583 CarbonylContact O-C 3.54Å; G580-S583 WeakPolarHBondContact O-CA 3.29Å; G580-S583 PolarHBondContact O-N 3.32Å; G580-D584 PolarHBondContact O-N 2.88Å; G580-V585 VanDerWaalsContact O-CB 3.3Å; G580-V585 WeakPolarHBondContact O-CB 3.4Å; G580-V585 WeakPolarHBondContact O-CG2 3.1Å; G580-V585 PolarHBondContact O-N 2.96Å
581W82.5Confident78Confident33 Ų3336.5 Ų36.513%0.12519%0.185CC..Hα-helixtrans-60.3-41.4178-173.767.7000112.3L374 Q385 L386 R390 V577 C579 S583 D584 F587L374-W581 HydrophobicContact CD1-CH2 4.02Å; L374-W581 HydrophobicContact CD2-CH2 3.96Å; Q385-W581 HydrophobicContact CB-CZ2 4.39Å; Q385-W581 PolarHBondContact O-NE1 2.84Å; L386-W581 HydrophobicContact CD1-CB 3.88Å; L386-W581 HydrophobicContact CD1-CG 3.88Å; R390-W581 HydrophobicContact CG-CZ2 4.02Å; R390-W581 PolarHBondContact NH2-O 2.76Å; V577-W581 WeakPolarHBondContact O-CB 3.4Å; V577-W581 PolarHBondContact O-N 2.96Å; C579-W581 PolarHBondContact O-N 2.87Å; W581-S583 VanDerWaalsContact C-N 3.31Å; W581-S583 PolarHBondContact O-N 2.97Å; W581-D584 PolarHBondContact O-N 3.04Å; W581-F587 HydrophobicContact CB-CE2 3.92Å; W581-F587 HydrophobicContact CB-CZ 4.37Å
582K78.2Confident76.5Confident79 Ų7943.4 Ų43.434%0.34321%0.209SC..Hα-helixtrans-66.1-32.8173.9-73.6174.1-176.6-179.10113F352 R390 S578 C579 G580 D584F352-K582 HydrophobicContact CD2-CD 4.48Å; R390-K582 PolarHBondContact NH2-O 3.3Å; R390-K582 VanDerWaalsContact NH2-O 3.12Å; S578-K582 WeakPolarHBondContact O-CB 3.29Å; S578-K582 VanDerWaalsContact O-CG 3.25Å; S578-K582 WeakPolarHBondContact O-CG 3.37Å; S578-K582 PolarHBondContact O-N 2.81Å; C579-K582 PolarHBondContact O-N 3.05Å; G580-K582 VanDerWaalsContact C-N 3.32Å; G580-K582 PolarHBondContact O-N 2.92Å; K582-D584 VanDerWaalsContact C-N 3.34Å
583S75.5Confident74.8Confident30 Ų3041 Ų4121%0.2120%0.201CC..THydrogen-bonded Turntrans-95.121.3179.1-58.60000113.5Y555 C579 G580 W581 V585Y555-S583 WeakPolarHBondContact CD1-OG 3.3Å; Y555-S583 VanDerWaalsContact CE1-CB 3.46Å; C579-S583 VanDerWaalsContact O-CB 3.31Å; C579-S583 WeakPolarHBondContact O-CB 3.37Å; C579-S583 PolarHBondContact O-N 3.32Å; C579-S583 PolarHBondContact O-OG 3.1Å; C579-S583 VanDerWaalsContact O-OG 3.12Å; G580-S583 CarbonylContact O-C 3.54Å; G580-S583 WeakPolarHBondContact O-CA 3.29Å; G580-S583 PolarHBondContact O-N 3.32Å; W581-S583 VanDerWaalsContact C-N 3.31Å; W581-S583 PolarHBondContact O-N 2.97Å; S583-V585 VanDerWaalsContact C-N 3.25Å; S583-V585 PolarHBondContact O-N 2.78Å
584D69.8Low73.5Confident41 Ų4145.1 Ų45.122%0.21922%0.218CC..THydrogen-bonded Turntrans53.933.5176.8-59-25.8000115.4R390 G580 W581 K582 K733R390-D584 IonicContact CZ-OD1 2.62Å; R390-D584 IonicContact NH2-OD1 3.53Å; R390-D584 PolarHBondContact NH2-OD1 3.16Å; G580-D584 PolarHBondContact O-N 2.88Å; W581-D584 PolarHBondContact O-N 3.04Å; K582-D584 VanDerWaalsContact C-N 3.34Å; D584-K733 IonicContact OD2-NZ 2.93Å; D584-K733 PolarHBondContact OD2-NZ 2.84Å
585V76.2Confident72.5Confident9 Ų946.4 Ų46.46%0.05522%0.224CC..  trans-58.9141.3161.8168.10000109Y555 F575 G580 S583 F587 A598 M599Y555-V585 HydrophobicContact CE2-CG2 3.63Å; Y555-V585 WeakPolarHBondContact OH-CG2 3.27Å; F575-V585 HydrophobicContact CD1-CG2 4.26Å; F575-V585 HydrophobicContact CD2-CG1 4.21Å; F575-V585 HydrophobicContact CD2-CG2 4.18Å; F575-V585 HydrophobicContact CE1-CG1 4.2Å; F575-V585 HydrophobicContact CE1-CG2 4.16Å; F575-V585 HydrophobicContact CE2-CB 4.26Å; F575-V585 HydrophobicContact CE2-CG1 3.39Å; F575-V585 HydrophobicContact CE2-CG2 4.1Å; F575-V585 HydrophobicContact CG-CG2 4.28Å; F575-V585 HydrophobicContact CZ-CB 4.38Å; F575-V585 HydrophobicContact CZ-CG1 3.37Å; F575-V585 HydrophobicContact CZ-CG2 4.08Å; G580-V585 VanDerWaalsContact O-CB 3.3Å; G580-V585 WeakPolarHBondContact O-CB 3.4Å; G580-V585 WeakPolarHBondContact O-CG2 3.1Å; G580-V585 PolarHBondContact O-N 2.96Å; S583-V585 VanDerWaalsContact C-N 3.25Å; S583-V585 PolarHBondContact O-N 2.78Å; V585-F587 HydrophobicContact CB-CE2 3.96Å; V585-F587 HydrophobicContact CB-CZ 4.23Å; V585-F587 HydrophobicContact CG1-CD2 4.45Å; V585-F587 HydrophobicContact CG1-CE1 4.43Å; V585-F587 HydrophobicContact CG1-CE2 3.89Å; V585-F587 HydrophobicContact CG1-CZ 3.88Å; V585-F587 VanDerWaalsContact O-CD2 3.31Å; V585-F587 WeakPolarHBondContact O-CD2 3.42Å; V585-F587 WeakPolarHBondContact O-CE2 3.35Å; V585-A598 HydrophobicContact CG1-CB 4.12Å; V585-M599 VanDerWaalsContact CG1-O 3.23Å; V585-M599 WeakPolarHBondContact CG1-O 3.27Å
586T74.3Confident71.9Confident12 Ų1247.3 Ų47.37%0.07423%0.231CC..EExtended strand (participates in β ladder)trans-82.4132175.9-59.30000110.5E588 A598 M599 I727T586-E588 HydrophobicContact CG2-CG 3.96Å; T586-A598 CarbonylContact O-C 3.54Å; T586-A598 VanDerWaalsContact O-CA 3.28Å; T586-A598 WeakPolarHBondContact O-CA 3.16Å; T586-M599 HydrophobicContact CG2-CE 3.88Å; T586-M599 PolarHBondContact N-O 2.93Å; T586-M599 VanDerWaalsContact N-O 3.13Å; T586-M599 PolarHBondContact O-N 3.29Å; T586-I727 HydrophobicContact CG2-CD1 3.27Å; T586-I727 HydrophobicContact CG2-CG1 3.8Å; T586-I727 WeakPolarHBondContact OG1-CD1 3.49Å
587F81.4Confident71.5Confident12 Ų1247.4 Ų47.45%0.05323%0.232CC..EExtended strand (participates in β ladder)trans-116.4136.6170.6-59.5-94.4000109.4L386 F387 M523 V577 W581 V585 V597 A598L386-F587 HydrophobicContact CD1-CD1 3.94Å; L386-F587 HydrophobicContact CD1-CD2 3.59Å; L386-F587 HydrophobicContact CD1-CE1 3.98Å; L386-F587 HydrophobicContact CD1-CE2 3.65Å; L386-F587 HydrophobicContact CD1-CG 3.75Å; L386-F587 HydrophobicContact CD1-CZ 3.84Å; L386-F587 HydrophobicContact CD2-CD1 3.99Å; L386-F587 HydrophobicContact CD2-CE1 4.43Å; L386-F587 HydrophobicContact CD2-CG 4.24Å; L386-F587 HydrophobicContact CG-CB 3.97Å; L386-F587 HydrophobicContact CG-CD1 3.91Å; L386-F587 HydrophobicContact CG-CD2 3.95Å; L386-F587 HydrophobicContact CG-CE1 4.41Å; L386-F587 HydrophobicContact CG-CE2 4.47Å; L386-F587 HydrophobicContact CG-CG 3.66Å; L386-F587 WeakPolarHBondContact O-CB 3.47Å; L386-F587 WeakPolarHBondContact O-CD2 3.42Å; F387-F587 HydrophobicContact CD1-CB 3.81Å; F387-F587 HydrophobicContact CE1-CB 3.91Å; M523-F587 HydrophobicContact CE-CD1 3.82Å; M523-F587 HydrophobicContact CE-CE1 4.43Å; M523-F587 HydrophobicContact CG-CD1 4.33Å; M523-F587 HydrophobicContact CG-CE1 4.43Å; M523-F587 HydrophobicContact SD-CD1 4.13Å; V577-F587 HydrophobicContact CG1-CE1 3.92Å; V577-F587 HydrophobicContact CG1-CZ 4.19Å; W581-F587 HydrophobicContact CB-CE2 3.92Å; W581-F587 HydrophobicContact CB-CZ 4.37Å; V585-F587 HydrophobicContact CB-CE2 3.96Å; V585-F587 HydrophobicContact CB-CZ 4.23Å; V585-F587 HydrophobicContact CG1-CD2 4.45Å; V585-F587 HydrophobicContact CG1-CE1 4.43Å; V585-F587 HydrophobicContact CG1-CE2 3.89Å; V585-F587 HydrophobicContact CG1-CZ 3.88Å; V585-F587 VanDerWaalsContact O-CD2 3.31Å; V585-F587 WeakPolarHBondContact O-CD2 3.42Å; V585-F587 WeakPolarHBondContact O-CE2 3.35Å; F587-V597 WeakPolarHBondContact CA-O 3.41Å; F587-A598 HydrophobicContact CD1-CB 3.77Å; F587-A598 HydrophobicContact CE1-CB 3.74Å
588E71.5Confident71.1Confident53 Ų5347.4 Ų47.425%0.24823%0.233CC..EExtended strand (participates in β ladder)trans-132.9146.4-177.1-65.6174.9175.900110.8T586 R590 A596 V597 M599T586-E588 HydrophobicContact CG2-CG 3.96Å; E588-R590 HydrophobicContact CB-CG 4.46Å; E588-R590 IonicContact OE2-CZ 2.94Å; E588-R590 IonicContact OE2-NE 3.52Å; E588-R590 PolarHBondContact OE2-NE 3.26Å; E588-R590 IonicContact OE2-NH2 3.91Å; E588-R590 PolarHBondContact OE2-NH2 3.36Å; E588-A596 CarbonylContact O-C 3.51Å; E588-A596 WeakPolarHBondContact O-CA 3.3Å; E588-V597 HydrophobicContact CB-CG2 3.94Å; E588-V597 PolarHBondContact N-O 3.17Å; E588-V597 PolarHBondContact O-N 2.74Å; E588-M599 WeakPolarHBondContact OE1-CE 3.43Å
589I70.3Confident70.7Confident56 Ų5647.5 Ų47.529%0.28723%0.233SC..EExtended strand (participates in β ladder)trans-92.6126.8162.8-61.2-60000107.4F387 I406 L595 A596F387-I589 HydrophobicContact CD1-CD1 4.03Å; F387-I589 HydrophobicContact CD1-CG1 3.89Å; F387-I589 HydrophobicContact CE1-CD1 3.43Å; F387-I589 VanDerWaalsContact CE1-CD1 3.43Å; F387-I589 HydrophobicContact CE1-CG1 3.83Å; F387-I589 HydrophobicContact CE2-CD1 3.99Å; F387-I589 HydrophobicContact CE2-CG1 4.49Å; F387-I589 HydrophobicContact CG-CG1 4.27Å; F387-I589 HydrophobicContact CZ-CD1 3.41Å; F387-I589 VanDerWaalsContact CZ-CD1 3.41Å; F387-I589 HydrophobicContact CZ-CG1 4.14Å; I406-I589 HydrophobicContact CG2-CG1 4.24Å; I589-L595 CarbonylContact C-O 3.6Å; I589-L595 WeakPolarHBondContact CA-O 3.33Å; I589-L595 WeakPolarHBondContact CG2-O 3.5Å; I589-A596 HydrophobicContact CD1-CB 3.91Å
590R60.8Low70.5Confident100 Ų10047.1 Ų47.138%0.37723%0.231SC..  trans-121173.1178.4-65.3-173.6178.8176.44.3110.4E588 L595 V597 M599E588-R590 HydrophobicContact CB-CG 4.46Å; E588-R590 IonicContact OE2-CZ 2.94Å; E588-R590 IonicContact OE2-NE 3.52Å; E588-R590 PolarHBondContact OE2-NE 3.26Å; E588-R590 IonicContact OE2-NH2 3.91Å; E588-R590 PolarHBondContact OE2-NH2 3.36Å; R590-L595 PolarHBondContact N-O 3.13Å; R590-L595 WeakPolarHBondContact O-CA 3.25Å; R590-L595 VanDerWaalsContact O-CD2 3.23Å; R590-L595 WeakPolarHBondContact O-CD2 3.45Å; R590-V597 HydrophobicContact CG-CG2 4.01Å; R590-V597 VanDerWaalsContact NE-CG2 3.34Å; R590-M599 PolarHBondContact NH2-SD 3.29Å; R590-M599 VanDerWaalsContact NH2-SD 3.36Å
591D50.1Low70Confident125 Ų12550.2 Ų50.267%0.66825%0.252SS*.SBendtrans-73.1163.6168.4-65.2-40.4000111.5
592W45.9Very low69.3Low162 Ų16256 Ų5661%0.61428%0.281SS*.THydrogen-bonded Turntrans-50.5140-179.8-172.296.3000111.1L595W592-L595 HydrophobicContact CB-CD2 4.33Å
593P45.3Very low68.7Low89 Ų8954.6 Ų54.658%0.57828%0.275SS*.THydrogen-bonded Turncis-97.7-13.91834.4-34.4000116.6
594Q55.7Low67.9Low122 Ų12254.2 Ų54.257%0.5727%0.272SS*.  trans-109.680.5-178.5-67-177.230.400109.6A596 V597Q594-A596 PolarHBondContact O-N 2.9Å; Q594-A596 VanDerWaalsContact O-N 3.15Å; Q594-V597 HydrophobicContact CB-CG1 3.69Å; Q594-V597 WeakPolarHBondContact O-CG1 3.48Å
595L65.4Low66.8Low34 Ų3455.3 Ų55.318%0.17829%0.286CS..SBendtrans-66-18.4-171.7-65.2169.4000114.2D410 I589 R590 W592D410-L595 HydrophobicContact CB-CD1 3.57Å; D410-L595 WeakPolarHBondContact O-CD1 3.5Å; I589-L595 CarbonylContact C-O 3.6Å; I589-L595 WeakPolarHBondContact CA-O 3.33Å; I589-L595 WeakPolarHBondContact CG2-O 3.5Å; R590-L595 PolarHBondContact N-O 3.13Å; R590-L595 WeakPolarHBondContact O-CA 3.25Å; R590-L595 VanDerWaalsContact O-CD2 3.23Å; R590-L595 WeakPolarHBondContact O-CD2 3.45Å; W592-L595 HydrophobicContact CB-CD2 4.33Å
596A77.1Confident65.2Low18 Ų1860.6 Ų60.615%0.14932%0.319CS..EExtended strand (participates in β ladder)trans-137.8124173.100000109.4F387 L522 M523 E588 I589 Q594F387-A596 HydrophobicContact CE1-CB 4.46Å; F387-A596 HydrophobicContact CZ-CB 4.33Å; L522-A596 HydrophobicContact CG-CB 4.42Å; M523-A596 HydrophobicContact CE-CB 4.09Å; M523-A596 HydrophobicContact SD-CB 3.7Å; E588-A596 CarbonylContact O-C 3.51Å; E588-A596 WeakPolarHBondContact O-CA 3.3Å; I589-A596 HydrophobicContact CD1-CB 3.91Å; Q594-A596 PolarHBondContact O-N 2.9Å; Q594-A596 VanDerWaalsContact O-N 3.15Å
597V79.4Confident63.2Low6 Ų665.3 Ų65.34%0.03634%0.344CS..EExtended strand (participates in β ladder)trans-131.7162.5-176.2-60.50000112.4M523 C567 F587 E588 R590 Q594M523-V597 VanDerWaalsContact CE-C 3.42Å; M523-V597 WeakPolarHBondContact CE-O 3.46Å; C567-V597 HydrophobicContact CB-CB 3.92Å; C567-V597 HydrophobicContact CB-CG1 4.16Å; F587-V597 WeakPolarHBondContact CA-O 3.41Å; E588-V597 HydrophobicContact CB-CG2 3.94Å; E588-V597 PolarHBondContact N-O 3.17Å; E588-V597 PolarHBondContact O-N 2.74Å; R590-V597 HydrophobicContact CG-CG2 4.01Å; R590-V597 VanDerWaalsContact NE-CG2 3.34Å; Q594-V597 HydrophobicContact CB-CG1 3.69Å; Q594-V597 WeakPolarHBondContact O-CG1 3.48Å
598A81.7Confident60.9Low4 Ų470.6 Ų70.63%0.03338%0.377CS..EExtended strand (participates in β ladder)trans-129.4140.1176.400000111.1M523 V564 C566 C567 F575 V585 T586 F587M523-A598 HydrophobicContact CE-CB 4.25Å; V564-A598 HydrophobicContact CG2-CB 4.35Å; C566-A598 CarbonylContact C-O 3.56Å; C566-A598 WeakPolarHBondContact CA-O 3.32Å; C567-A598 PolarHBondContact N-O 2.99Å; C567-A598 PolarHBondContact SG-O 2.97Å; F575-A598 HydrophobicContact CE2-CB 3.69Å; F575-A598 HydrophobicContact CZ-CB 3.76Å; V585-A598 HydrophobicContact CG1-CB 4.12Å; T586-A598 CarbonylContact O-C 3.54Å; T586-A598 VanDerWaalsContact O-CA 3.28Å; T586-A598 WeakPolarHBondContact O-CA 3.16Å; F587-A598 HydrophobicContact CD1-CB 3.77Å; F587-A598 HydrophobicContact CE1-CB 3.74Å
599M77Confident59.1Low4 Ų472.8 Ų72.82%0.0240%0.404CS..EExtended strand (participates in β ladder)trans-124128.5177.7-60.9-174.2-54.600110.3C567 V585 T586 E588 R590 A605C567-M599 VanDerWaalsContact SG-CG 3.53Å; V585-M599 VanDerWaalsContact CG1-O 3.23Å; V585-M599 WeakPolarHBondContact CG1-O 3.27Å; T586-M599 HydrophobicContact CG2-CE 3.88Å; T586-M599 PolarHBondContact N-O 2.93Å; T586-M599 VanDerWaalsContact N-O 3.13Å; T586-M599 PolarHBondContact O-N 3.29Å; E588-M599 WeakPolarHBondContact OE1-CE 3.43Å; R590-M599 PolarHBondContact NH2-SD 3.29Å; R590-M599 VanDerWaalsContact NH2-SD 3.36Å; M599-A605 HydrophobicContact CE-CB 4.48Å
600C77.9Confident57.7Low1 Ų176.2 Ų76.21%0.00742%0.423CS..  trans-66.1163.1179.270.60000111.7C566 T573 F575 E602 H603 V604C566-C600 HydrophobicContact CB-CB 4.34Å; C566-C600 PolarHBondContact SG-N 2.9Å; C566-C600 VanDerWaalsContact SG-N 3.39Å; T573-C600 HydrophobicContact CG2-CB 3.77Å; F575-C600 HydrophobicContact CE1-CB 3.99Å; C600-E602 PolarHBondContact O-N 2.89Å; C600-H603 CarbonylContact O-C 3.55Å; C600-H603 PolarHBondContact O-N 2.87Å; C600-H603 PolarHBondContact SG-ND1 3.12Å; C600-V604 PolarHBondContact O-N 3.11Å; C600-V604 VanDerWaalsContact O-N 3.16Å
601S73.8Confident57.3Low65 Ų6575.8 Ų75.846%0.45543%0.425SS..THydrogen-bonded Turntrans-55.5-24.9-179.150.30000114.5V604S601-V604 WeakPolarHBondContact O-CG2 3.17Å
602E68.6Low57.8Low154 Ų15472.5 Ų72.572%0.7241%0.405SS*.THydrogen-bonded Turntrans-80.4-23.7177.1-62.4-170.4171.600113.5C600C600-E602 PolarHBondContact O-N 2.89Å
603H65.8Low58.6Low49 Ų4968.1 Ų68.123%0.22740%0.397CS..SBendtrans-111.518.6-179.6-61.8115.5000112.3Y568 C571 C600 A605Y568-H603 HydrophobicContact CD1-CB 4Å; Y568-H603 AromaticContact CD1-CD2 3.23Å; Y568-H603 WeakPolarHBondContact CD1-CD2 3.44Å; Y568-H603 AromaticContact CD1-CG 3.57Å; Y568-H603 AromaticContact CD1-NE2 3.77Å; Y568-H603 HydrophobicContact CD2-CB 4.26Å; Y568-H603 AromaticContact CE1-CD2 3.62Å; Y568-H603 HydrophobicContact CG-CB 3.71Å; Y568-H603 AromaticContact CG-CD2 3.9Å; Y568-H603 AromaticContact CG-CG 3.78Å; C571-H603 PolarHBondContact SG-CE1 3.03Å; C571-H603 PolarHBondContact SG-ND1 2.65Å; C600-H603 CarbonylContact O-C 3.55Å; C600-H603 PolarHBondContact O-N 2.87Å; C600-H603 PolarHBondContact SG-ND1 3.12Å; H603-A605 PolarHBondContact O-N 2.97Å
604V57.9Low59.7Low23 Ų2365.7 Ų65.714%0.13938%0.381CS..SBendtrans-54.3114.6165.2170.80000106.5C600 S601 T606 I727C600-V604 PolarHBondContact O-N 3.11Å; C600-V604 VanDerWaalsContact O-N 3.16Å; S601-V604 WeakPolarHBondContact O-CG2 3.17Å; V604-T606 PolarHBondContact O-N 2.88Å; V604-I727 HydrophobicContact CB-CG2 4.49Å; V604-I727 HydrophobicContact CG1-CB 3.97Å; V604-I727 HydrophobicContact CG1-CD1 4.27Å; V604-I727 HydrophobicContact CG1-CG2 3.39Å; V604-I727 HydrophobicContact CG2-CG2 4.29Å
605A47.7Very low60.6Low64 Ų6460 Ų6053%0.52935%0.354SS..SBendtrans-44.4102-165.300000112.1M599 H603M599-A605 HydrophobicContact CE-CB 4.48Å; H603-A605 PolarHBondContact O-N 2.97Å
606T42.2Very low61.4Low120 Ų12059.9 Ų59.974%0.73636%0.357SS*.  trans-116.25.3166.241.30000111.1V604V604-T606 PolarHBondContact O-N 2.88Å
607N32.5Very low61.8Low111 Ų11161.9 Ų61.959%0.59437%0.373SS*.SBendtrans-129.1123.4178.3-91.2-34.9000110.9
608T32.2Very low62Low123 Ų12364.3 Ų64.376%0.75540%0.399SS*.SBendtrans90.990.7166.569.90000117.5D610T608-D610 VanDerWaalsContact C-N 3.27Å; T608-D610 PolarHBondContact O-N 3.02Å
609A34.6Very low62Low98 Ų9867.1 Ų67.181%0.8141%0.412SS*.  trans51.912.2132.500000121.6
610D39.3Very low62.5Low128 Ų12873 Ų7368%0.68443%0.434SS*.  trans-93.4115.2165.6-81.3-40.2000110.2R227 T608 K612R227-D610 IonicContact CZ-OD1 2.72Å; R227-D610 IonicContact NH1-OD1 3.25Å; R227-D610 PolarHBondContact NH1-OD1 3.47Å; T608-D610 VanDerWaalsContact C-N 3.27Å; T608-D610 PolarHBondContact O-N 3.02Å; D610-K612 PolarHBondContact O-N 2.93Å
611E52.6Low63.1Low92 Ų9273 Ų7343%0.4343%0.434SS..PPolyproline II helixtrans-56.6128.6178.5-71.1161.5152.700110.2H224 R227H224-E611 VanDerWaalsContact CA-OE2 3.31Å; H224-E611 WeakPolarHBondContact CA-OE2 3.28Å; H224-E611 IonicContact CE1-OE1 2.65Å; H224-E611 IonicContact CE1-OE2 3.1Å; H224-E611 IonicContact CG-OE1 3.88Å; H224-E611 IonicContact CG-OE2 2.64Å; H224-E611 IonicContact ND1-OE1 3.43Å; H224-E611 PolarHBondContact ND1-OE1 3.2Å; H224-E611 IonicContact ND1-OE2 3.49Å; H224-E611 PolarHBondContact ND1-OE2 2.93Å; R227-E611 IonicContact CZ-OE2 3.8Å; R227-E611 IonicContact NE-OE2 3.43Å; R227-E611 PolarHBondContact NE-OE2 2.78Å; R227-E611 IonicContact NH2-OE2 2.79Å; R227-E611 PolarHBondContact NH2-OE2 2.72Å
612K60.8Low63.9Low55 Ų5569.9 Ų69.924%0.23941%0.412CS..PPolyproline II helixtrans-50.8132.7175.6-58.6-177.4173-177.10109.9D610 R718 D719 Y722D610-K612 PolarHBondContact O-N 2.93Å; K612-R718 HydrophobicContact CB-CG 4.28Å; K612-R718 PolarHBondContact O-NE 3.33Å; K612-R718 VanDerWaalsContact O-NE 3.15Å; K612-D719 PolarHBondContact NZ-O 2.84Å; K612-Y722 VanDerWaalsContact NZ-CE1 3.27Å
613P62.7Low65Low70 Ų7062.6 Ų62.646%0.45538%0.378SS..PPolyproline II helixtrans-49.2140.2-176.2-27.731.1000113.5V615 R718 D726P613-V615 PolarHBondContact O-N 2.95Å; P613-R718 PolarHBondContact O-NE 3.12Å; P613-R718 PolarHBondContact O-NH2 2.86Å; P613-D726 WeakPolarHBondContact CD-OD1 3.14Å
614V68.9Low66Low39 Ų3962.8 Ų62.824%0.23638%0.379CS..PPolyproline II helixtrans-63.2136.4179.3168.50000111.6A228A228-V614 HydrophobicContact CB-CG2 4.36Å; A228-V614 WeakPolarHBondContact O-CB 3.41Å; A228-V614 WeakPolarHBondContact O-CG2 3.2Å
615V74.1Confident67.2Low2 Ų262.8 Ų62.81%0.01238%0.38CS..PPolyproline II helixtrans-94.4132.5177.1-174.80000108.6P613 E619 V621 V635 V638 Y704 V721P613-V615 PolarHBondContact O-N 2.95Å; V615-E619 WeakPolarHBondContact CA-OE2 3.49Å; V615-E619 HydrophobicContact CG1-CB 3.97Å; V615-E619 WeakPolarHBondContact CG1-OE2 3.16Å; V615-V621 HydrophobicContact CG1-CG1 3.4Å; V615-V635 HydrophobicContact CG1-CG2 3.69Å; V615-V638 VanDerWaalsContact O-CG2 3.26Å; V615-V638 WeakPolarHBondContact O-CG2 3.48Å; V615-Y704 HydrophobicContact CB-CD1 4.39Å; V615-Y704 HydrophobicContact CB-CE1 3.87Å; V615-Y704 WeakPolarHBondContact O-CE1 3.36Å; V615-V721 HydrophobicContact CG2-CG1 4.24Å
616S82.7Confident68.3Low32 Ų3262.8 Ų62.822%0.22438%0.375CS..PPolyproline II helixtrans-91.5155.8-175.9-61.40000112.6G618 E619 V635S616-G618 PolarHBondContact O-N 2.93Å; S616-E619 VanDerWaalsContact N-CD 3.33Å; S616-E619 PolarHBondContact N-OE2 2.82Å; S616-E619 VanDerWaalsContact O-CB 3.32Å; S616-E619 WeakPolarHBondContact O-CB 3.44Å; S616-E619 WeakPolarHBondContact O-CG 3.15Å; S616-E619 PolarHBondContact O-N 3.27Å; S616-E619 VanDerWaalsContact O-N 3.12Å; S616-V635 WeakPolarHBondContact O-CB 3.44Å
617A84.6Confident69.7Low60 Ų6059.4 Ų59.450%0.49637%0.365SS..THydrogen-bonded Turntrans-59.2137.417000000110.6E619A617-E619 VanDerWaalsContact C-N 3.32Å
618G83.5Confident71.9Confident57 Ų5759.1 Ų59.159%0.58837%0.367SS*.THydrogen-bonded Turntrans87.6-11.2-173.900000114.5S616 V635S616-G618 PolarHBondContact O-N 2.93Å; G618-V635 PolarHBondContact N-O 2.64Å
619E83.1Confident74.2Confident62 Ų6256.4 Ų56.429%0.2935%0.345SS..  trans-73.2143.4176.1-67.8-174.9160.900111.5V615 S616 A617 V634 V635 P724V615-E619 WeakPolarHBondContact CA-OE2 3.49Å; V615-E619 HydrophobicContact CG1-CB 3.97Å; V615-E619 WeakPolarHBondContact CG1-OE2 3.16Å; S616-E619 VanDerWaalsContact N-CD 3.33Å; S616-E619 PolarHBondContact N-OE2 2.82Å; S616-E619 VanDerWaalsContact O-CB 3.32Å; S616-E619 WeakPolarHBondContact O-CB 3.44Å; S616-E619 WeakPolarHBondContact O-CG 3.15Å; S616-E619 PolarHBondContact O-N 3.27Å; S616-E619 VanDerWaalsContact O-N 3.12Å; A617-E619 VanDerWaalsContact C-N 3.32Å; E619-V634 WeakPolarHBondContact O-CA 3.2Å; E619-V635 PolarHBondContact O-N 2.85Å; E619-P724 HydrophobicContact CB-CG 4.42Å
620R86.7Confident76.8Confident129 Ų12952 Ų5249%0.48731%0.308SS..EExtended strand (participates in β ladder)trans-80.5133172.7-159171.1-170.5-164.80.4109G633 D709R620-G633 WeakPolarHBondContact CA-O 3.43Å; R620-D709 IonicContact NH2-OD2 3.16Å; R620-D709 PolarHBondContact NH2-OD2 3.04Å
621V90.7Very high79.2Confident0 Ų046.4 Ų46.40%028%0.278CS..EExtended strand (participates in β ladder)trans-136.4162.7-171.3-66.20000111.3V615 Y632 G633 V635 I706 V721 Y722V615-V621 HydrophobicContact CG1-CG1 3.4Å; V621-Y632 WeakPolarHBondContact O-CA 3.47Å; V621-G633 WeakPolarHBondContact CG2-O 3.07Å; V621-G633 PolarHBondContact N-O 2.97Å; V621-G633 PolarHBondContact O-N 2.81Å; V621-V635 HydrophobicContact CB-CG2 4.42Å; V621-V635 HydrophobicContact CG1-CG2 3.5Å; V621-V635 HydrophobicContact CG2-CG2 3.97Å; V621-I706 HydrophobicContact CG2-CD1 3.93Å; V621-I706 HydrophobicContact CG2-CG1 4.31Å; V621-I706 HydrophobicContact CG2-CG2 3.78Å; V621-V721 HydrophobicContact CB-CG1 3.87Å; V621-V721 HydrophobicContact CG1-CG1 3.77Å; V621-V721 HydrophobicContact CG2-CG1 4.32Å; V621-Y722 CarbonylContact C-O 3.43Å; V621-Y722 VanDerWaalsContact CA-O 3.24Å; V621-Y722 WeakPolarHBondContact CA-O 3.47Å; V621-Y722 WeakPolarHBondContact CB-O 3.38Å
622V91.2Very high81Confident0 Ų044.7 Ų44.70%027%0.268CS..EExtended strand (participates in β ladder)trans-103.9126.5157.3170.30000107.8L392 F630 S631 Y632 V721 Y722 L728 V732 L736L392-V622 HydrophobicContact CD2-CG2 4.14Å; V622-F630 HydrophobicContact CG1-CB 3.94Å; V622-F630 HydrophobicContact CG1-CD1 4.21Å; V622-F630 HydrophobicContact CG1-CG 4.48Å; V622-S631 WeakPolarHBondContact CA-O 3.22Å; V622-Y632 HydrophobicContact CG2-CD1 3.61Å; V622-Y632 HydrophobicContact CG2-CE1 3.56Å; V622-V721 CarbonylContact O-C 3.51Å; V622-V721 WeakPolarHBondContact O-CA 3.34Å; V622-Y722 HydrophobicContact CG1-CD2 4.41Å; V622-Y722 PolarHBondContact N-O 3.25Å; V622-Y722 PolarHBondContact O-N 3.47Å; V622-L728 HydrophobicContact CB-CD2 3.83Å; V622-L728 HydrophobicContact CG1-CD2 4.1Å; V622-L728 HydrophobicContact CG2-CD1 4.39Å; V622-L728 HydrophobicContact CG2-CD2 3.87Å; V622-V732 HydrophobicContact CG1-CG1 3.73Å; V622-L736 HydrophobicContact CB-CD1 4.36Å; V622-L736 HydrophobicContact CG1-CD1 3.87Å; V622-L736 HydrophobicContact CG1-CD2 4.16Å; V622-L736 HydrophobicContact CG1-CG 4.45Å; V622-L736 HydrophobicContact CG2-CD1 3.54Å; V622-L736 HydrophobicContact CG2-CD2 4.43Å
623A90.6Very high82.4Confident0 Ų042 Ų420%026%0.257CS..EExtended strand (participates in β ladder)trans-118.3145.3178.800000111.1C625 F630 S631 I706 L708 I714 E720A623-C625 PolarHBondContact O-N 2.89Å; A623-C625 PolarHBondContact O-SG 3.18Å; A623-C625 VanDerWaalsContact O-SG 3.39Å; A623-F630 VanDerWaalsContact O-CA 3.31Å; A623-F630 WeakPolarHBondContact O-CA 3.45Å; A623-S631 PolarHBondContact N-O 3.31Å; A623-S631 PolarHBondContact O-N 3.03Å; A623-I706 HydrophobicContact CB-CD1 3.57Å; A623-I706 HydrophobicContact CB-CG2 4.2Å; A623-L708 HydrophobicContact CB-CD2 4.08Å; A623-I714 HydrophobicContact CB-CD1 3.86Å; A623-E720 CarbonylContact C-O 3.56Å; A623-E720 WeakPolarHBondContact CA-O 3.49Å
624Q88.4Confident83.8Confident54 Ų5441.1 Ų41.125%0.25225%0.25SC..EExtended strand (participates in β ladder)trans-80.9107.5171.1-167.2168.7-9.100109.4G627 K629 F630 E720Q624-G627 PolarHBondContact NE2-O 2.85Å; Q624-K629 CarbonylContact C-O 3.52Å; Q624-K629 WeakPolarHBondContact CA-O 3.08Å; Q624-F630 HydrophobicContact CB-CD1 3.84Å; Q624-F630 HydrophobicContact CB-CE1 3.62Å; Q624-F630 HydrophobicContact CB-CZ 4.43Å; Q624-F630 HydrophobicContact CG-CD1 4.17Å; Q624-F630 HydrophobicContact CG-CE1 3.72Å; Q624-F630 HydrophobicContact CG-CZ 4.03Å; Q624-E720 HydrophobicContact CB-CB 4.04Å; Q624-E720 HydrophobicContact CB-CG 4.36Å; Q624-E720 PolarHBondContact N-O 3.06Å
625C81.4Confident84.9Confident23 Ų2339.3 Ų39.316%0.15524%0.239CC..EExtended strand (participates in β ladder)trans-86.3-31.7-170.3-41.20000112.9A623 K629 S631 L708 I714A623-C625 PolarHBondContact O-N 2.89Å; A623-C625 PolarHBondContact O-SG 3.18Å; A623-C625 VanDerWaalsContact O-SG 3.39Å; C625-K629 PolarHBondContact N-O 2.96Å; C625-S631 WeakPolarHBondContact SG-CB 3.17Å; C625-S631 PolarHBondContact SG-OG 2.72Å; C625-L708 HydrophobicContact CB-CD1 3.83Å; C625-L708 WeakPolarHBondContact SG-CD1 3.17Å; C625-I714 HydrophobicContact CB-CD1 4.28Å
626S71.8Confident85.7Confident63 Ų6344.8 Ų44.844%0.44126%0.263SS..EExtended strand (participates in β ladder)trans-168.5132.9173.663.70000110.9T628 K629S626-T628 PolarHBondContact O-N 3.11Å; S626-K629 WeakPolarHBondContact O-CB 3.2Å; S626-K629 PolarHBondContact O-N 3.18Å
627G72.4Confident85.9Confident50 Ų5045.7 Ų45.752%0.51527%0.269SS..THydrogen-bonded Turntrans51.1-100.4173.200000112.6Q624Q624-G627 PolarHBondContact NE2-O 2.85Å
628T77Confident86Confident105 Ų10544.6 Ų44.664%0.64426%0.256SS*.THydrogen-bonded Turntrans-108.22.8-177.760.30000114.4S626 K735S626-T628 PolarHBondContact O-N 3.11Å; T628-K735 WeakPolarHBondContact O-CD 3.32Å; T628-K735 WeakPolarHBondContact O-CE 3.47Å; T628-K735 PolarHBondContact O-NZ 3.25Å
629K82.3Confident85.7Confident66 Ų6643.3 Ų43.329%0.28724%0.243SC..EExtended strand (participates in β ladder)trans-91.1133.3-174.8178.3179.9158.1177.50111.3Q624 C625 S626 R739Q624-K629 CarbonylContact C-O 3.52Å; Q624-K629 WeakPolarHBondContact CA-O 3.08Å; C625-K629 PolarHBondContact N-O 2.96Å; S626-K629 WeakPolarHBondContact O-CB 3.2Å; S626-K629 PolarHBondContact O-N 3.18Å; K629-R739 VanDerWaalsContact CE-NH1 3.26Å
630F89Confident85.4Confident6 Ų647.3 Ų47.33%0.02626%0.262CS..EExtended strand (participates in β ladder)trans-120.8142.7175.5-61.7-88.9000109.8V622 A623 Q624 Y722 V732 K735 L736V622-F630 HydrophobicContact CG1-CB 3.94Å; V622-F630 HydrophobicContact CG1-CD1 4.21Å; V622-F630 HydrophobicContact CG1-CG 4.48Å; A623-F630 VanDerWaalsContact O-CA 3.31Å; A623-F630 WeakPolarHBondContact O-CA 3.45Å; Q624-F630 HydrophobicContact CB-CD1 3.84Å; Q624-F630 HydrophobicContact CB-CE1 3.62Å; Q624-F630 HydrophobicContact CB-CZ 4.43Å; Q624-F630 HydrophobicContact CG-CD1 4.17Å; Q624-F630 HydrophobicContact CG-CE1 3.72Å; Q624-F630 HydrophobicContact CG-CZ 4.03Å; F630-Y722 HydrophobicContact CE1-CE2 4.05Å; F630-V732 HydrophobicContact CB-CG1 4.09Å; F630-V732 HydrophobicContact CD1-CG1 3.79Å; F630-V732 HydrophobicContact CD1-CG2 4.26Å; F630-V732 HydrophobicContact CD2-CB 4.48Å; F630-V732 HydrophobicContact CD2-CG1 4.13Å; F630-V732 HydrophobicContact CD2-CG2 4.33Å; F630-V732 HydrophobicContact CE1-CG1 4.24Å; F630-V732 HydrophobicContact CE1-CG2 3.86Å; F630-V732 HydrophobicContact CE2-CG2 3.94Å; F630-V732 HydrophobicContact CG-CG1 3.73Å; F630-V732 HydrophobicContact CG-CG2 4.48Å; F630-V732 HydrophobicContact CZ-CG2 3.7Å; F630-K735 HydrophobicContact CD2-CB 4.46Å; F630-K735 HydrophobicContact CD2-CD 3.82Å; F630-K735 HydrophobicContact CE2-CD 4Å; F630-L736 HydrophobicContact CB-CD2 4.09Å; F630-L736 HydrophobicContact CB-CG 4.47Å
631S88.8Confident85Confident10 Ų1042 Ų427%0.0725%0.245CC..EExtended strand (participates in β ladder)trans-141157.8174.3-46.50000110.7V622 A623 C625 R739V622-S631 WeakPolarHBondContact CA-O 3.22Å; A623-S631 PolarHBondContact N-O 3.31Å; A623-S631 PolarHBondContact O-N 3.03Å; C625-S631 WeakPolarHBondContact SG-CB 3.17Å; C625-S631 PolarHBondContact SG-OG 2.72Å; S631-R739 PolarHBondContact OG-NH1 2.82Å
632Y90.6Very high84.5Confident55 Ų5545.2 Ų45.222%0.21626%0.262CS..EExtended strand (participates in β ladder)trans-72.7153.1169.6-62.8-75.1000110.7I391 V621 V622 L708 D709 L736I391-Y632 HydrophobicContact CG2-CE1 4.06Å; V621-Y632 WeakPolarHBondContact O-CA 3.47Å; V622-Y632 HydrophobicContact CG2-CD1 3.61Å; V622-Y632 HydrophobicContact CG2-CE1 3.56Å; Y632-L708 WeakPolarHBondContact O-CA 3.21Å; Y632-D709 WeakPolarHBondContact CB-OD2 3.36Å; Y632-D709 PolarHBondContact O-N 2.83Å; Y632-L736 HydrophobicContact CD2-CD2 4.24Å; Y632-L736 HydrophobicContact CE1-CD1 4.13Å; Y632-L736 HydrophobicContact CE2-CB 4.28Å; Y632-L736 HydrophobicContact CE2-CD1 4.5Å; Y632-L736 HydrophobicContact CE2-CD2 3.96Å; Y632-L736 HydrophobicContact CE2-CG 4.48Å
633G90.7Very high84.1Confident0 Ų045.5 Ų45.50%026%0.263CS..EExtended strand (participates in β ladder)trans-169.2-175172.500000112.2R620 V621 L707R620-G633 WeakPolarHBondContact CA-O 3.43Å; V621-G633 WeakPolarHBondContact CG2-O 3.07Å; V621-G633 PolarHBondContact N-O 2.97Å; V621-G633 PolarHBondContact O-N 2.81Å; G633-L707 CarbonylContact C-O 3.58Å; G633-L707 WeakPolarHBondContact CA-O 3.25Å
634V92Very high83.8Confident51 Ų5145.5 Ų45.531%0.30926%0.263SS..EExtended strand (participates in β ladder)trans-122.8132.2176.1179.80000109E619 K636 L707E619-V634 WeakPolarHBondContact O-CA 3.2Å; V634-K636 PolarHBondContact O-N 2.9Å; V634-K636 VanDerWaalsContact O-N 3.13Å; V634-L707 PolarHBondContact N-O 3.41Å; V634-L707 PolarHBondContact O-N 2.86Å
635V91Very high83.5Confident1 Ų143 Ų431%0.00625%0.252CS..EExtended strand (participates in β ladder)trans-65.4113.9173.9-175.50000108.6V615 S616 G618 E619 V621 V638 Y704 I706V615-V635 HydrophobicContact CG1-CG2 3.69Å; S616-V635 WeakPolarHBondContact O-CB 3.44Å; G618-V635 PolarHBondContact N-O 2.64Å; E619-V635 PolarHBondContact O-N 2.85Å; V621-V635 HydrophobicContact CB-CG2 4.42Å; V621-V635 HydrophobicContact CG1-CG2 3.5Å; V621-V635 HydrophobicContact CG2-CG2 3.97Å; V635-V638 HydrophobicContact CG1-CG2 3.78Å; V635-Y704 HydrophobicContact CG1-CD1 4.23Å; V635-I706 HydrophobicContact CG2-CG1 4.36Å
636K92Very high83.6Confident117 Ų11742 Ų4251%0.50924%0.244SC..EExtended strand (participates in β ladder)trans-79.6-41.2176.5-73.9-66.4-174-178.80112V634 R705 L707 L713V634-K636 PolarHBondContact O-N 2.9Å; V634-K636 VanDerWaalsContact O-N 3.13Å; K636-R705 HydrophobicContact CB-CG 4.46Å; K636-R705 PolarHBondContact N-O 2.91Å; K636-L707 HydrophobicContact CD-CB 4.16Å; K636-L707 VanDerWaalsContact CE-CB 3.4Å; K636-L707 HydrophobicContact CG-CB 3.65Å; K636-L713 HydrophobicContact CG-CD1 4.33Å
637S86.7Confident84.3Confident51 Ų5141 Ų4136%0.35723%0.234SC..EExtended strand (participates in β ladder)trans-154.2145.7176.457.30000110.4R705S637-R705 PolarHBondContact N-O 2.73Å; S637-R705 PolarHBondContact O-N 2.92Å; S637-R705 WeakPolarHBondContact OG-CB 3.43Å
638V85.4Confident85.2Confident36 Ų3639.5 Ų39.522%0.21821%0.214CC..EExtended strand (participates in β ladder)trans-104.2124.4167.6-173.60000106.3V615 V635 Y704V615-V638 VanDerWaalsContact O-CG2 3.26Å; V615-V638 WeakPolarHBondContact O-CG2 3.48Å; V635-V638 HydrophobicContact CG1-CG2 3.78Å; V638-Y704 HydrophobicContact CG1-CD1 4.32Å; V638-Y704 HydrophobicContact CG1-CE1 3.89Å; V638-Y704 HydrophobicContact CG2-CD1 4Å; V638-Y704 HydrophobicContact CG2-CE1 3.94Å
639G78.7Confident85.7Confident31 Ų3139.7 Ų39.732%0.3221%0.21SC..EExtended strand (participates in β ladder)trans-120.7170178.100000111.2S702 S703G639-S702 WeakPolarHBondContact O-CA 3.04Å; G639-S703 PolarHBondContact N-O 3.18Å; G639-S703 PolarHBondContact O-N 3.29Å; G639-S703 PolarHBondContact O-OG 2.99Å
640E77.2Confident85.8Confident146 Ų14642.2 Ų42.268%0.68223%0.227SC*.EExtended strand (participates in β ladder)trans-98.4130.6165.1-157.1-178163.400108H700E640-H700 WeakPolarHBondContact OE1-CB 3.49Å; E640-H700 IonicContact OE1-CE1 2.75Å; E640-H700 IonicContact OE1-CG 2.79Å; E640-H700 IonicContact OE1-ND1 3.47Å; E640-H700 PolarHBondContact OE1-ND1 2.89Å
641A78.2Confident85.3Confident16 Ų1645.4 Ų45.413%0.13226%0.261CS..EExtended strand (participates in β ladder)trans-129.7153.4174.800000110.3F643 F658 G701A641-F643 HydrophobicContact CB-CE1 4.42Å; A641-F643 HydrophobicContact CB-CE2 3.99Å; A641-F643 HydrophobicContact CB-CZ 3.86Å; A641-F643 WeakPolarHBondContact O-CD2 3.4Å; A641-F658 HydrophobicContact CB-CD1 3.91Å; A641-F658 HydrophobicContact CB-CE1 3.73Å; A641-G701 PolarHBondContact N-O 2.98Å; A641-G701 PolarHBondContact O-N 2.62Å
642I78.5Confident84.7Confident69 Ų6947.5 Ų47.535%0.35428%0.276SS..EExtended strand (participates in β ladder)trans-90124.3171.3-57.1174.4000107.1I659 A698I642-I659 HydrophobicContact CB-CB 4.26Å; I642-I659 HydrophobicContact CB-CG2 3.64Å; I642-I659 HydrophobicContact CG2-CB 3.93Å; I642-I659 HydrophobicContact CG2-CD1 3.67Å; I642-I659 HydrophobicContact CG2-CG1 4.42Å; I642-I659 HydrophobicContact CG2-CG2 3.77Å; I642-I659 WeakPolarHBondContact O-CB 3.46Å; I642-I659 WeakPolarHBondContact O-CG2 3.48Å; I642-I659 PolarHBondContact O-N 3.13Å; I642-A698 HydrophobicContact CG2-CB 4.02Å
643F83.7Confident84.2Confident6 Ų650.8 Ų50.83%0.02629%0.292CS..EExtended strand (participates in β ladder)trans-107162.5174.4-59-79.6000110.3A641 G656 I657 F658 A698 Y699 G701 T717A641-F643 HydrophobicContact CB-CE1 4.42Å; A641-F643 HydrophobicContact CB-CE2 3.99Å; A641-F643 HydrophobicContact CB-CZ 3.86Å; A641-F643 WeakPolarHBondContact O-CD2 3.4Å; F643-G656 WeakPolarHBondContact CD1-O 3.15Å; F643-I657 CarbonylContact C-O 3.59Å; F643-I657 WeakPolarHBondContact CA-O 3.25Å; F643-F658 HydrophobicContact CD1-CD1 4.19Å; F643-F658 HydrophobicContact CD1-CE1 4.44Å; F643-F658 HydrophobicContact CD1-CG 4.29Å; F643-F658 AromaticContact CE1-CD1 3.62Å; F643-F658 HydrophobicContact CE1-CD1 3.62Å; F643-F658 HydrophobicContact CE1-CD2 4.16Å; F643-F658 AromaticContact CE1-CE1 3.45Å; F643-F658 HydrophobicContact CE1-CE1 3.45Å; F643-F658 VanDerWaalsContact CE1-CE1 3.45Å; F643-F658 HydrophobicContact CE1-CE2 4.01Å; F643-F658 AromaticContact CE1-CG 3.97Å; F643-F658 HydrophobicContact CE1-CG 3.97Å; F643-F658 AromaticContact CE1-CZ 3.66Å; F643-F658 HydrophobicContact CE1-CZ 3.66Å; F643-F658 HydrophobicContact CZ-CD1 4.28Å; F643-F658 AromaticContact CZ-CE1 3.81Å; F643-F658 HydrophobicContact CZ-CE1 3.81Å; F643-F658 HydrophobicContact CZ-CZ 4.13Å; F643-A698 CarbonylContact O-C 3.49Å; F643-A698 WeakPolarHBondContact O-CA 3.23Å; F643-Y699 HydrophobicContact CB-CD1 4.49Å; F643-Y699 HydrophobicContact CB-CD2 4.34Å; F643-Y699 HydrophobicContact CB-CE1 4.03Å; F643-Y699 HydrophobicContact CB-CE2 3.86Å; F643-Y699 HydrophobicContact CD2-CE2 4.33Å; F643-Y699 HydrophobicContact CG-CE2 4.43Å; F643-Y699 PolarHBondContact N-O 2.89Å; F643-Y699 PolarHBondContact O-N 3.34Å; F643-G701 VanDerWaalsContact CE2-C 3.49Å; F643-G701 WeakPolarHBondContact CE2-O 3.3Å; F643-T717 HydrophobicContact CD1-CG2 4.15Å; F643-T717 HydrophobicContact CE1-CG2 3.61Å; F643-T717 HydrophobicContact CZ-CG2 4.16Å
644C83.3Confident83.6Confident0 Ų052.1 Ų52.10%030%0.301CS..EExtended strand (participates in β ladder)trans-131156.817162.60000112.3G656 I657 F695 R697C644-G656 PolarHBondContact O-N 3.21Å; C644-I657 PolarHBondContact N-O 2.98Å; C644-I657 PolarHBondContact O-N 3.02Å; C644-F695 HydrophobicContact CB-CD2 4.02Å; C644-F695 HydrophobicContact CB-CE2 3.56Å; C644-R697 CarbonylContact C-O 3.57Å; C644-R697 WeakPolarHBondContact CA-O 3.38Å; C644-R697 WeakPolarHBondContact CB-O 3.48Å
645A82.6Confident82.7Confident2 Ų252.9 Ų52.92%0.01730%0.303CS..EExtended strand (participates in β ladder)trans-104.6131.2167.900000109.4F653 S654 N655 R696 R697A645-F653 HydrophobicContact CB-CE2 3.92Å; A645-F653 HydrophobicContact CB-CZ 4.13Å; A645-S654 CarbonylContact C-O 3.59Å; A645-S654 VanDerWaalsContact CA-O 3.25Å; A645-S654 WeakPolarHBondContact CA-O 3.28Å; A645-N655 HydrophobicContact CB-CB 4.45Å; A645-R696 HydrophobicContact CB-CB 4.17Å; A645-R696 WeakPolarHBondContact O-CB 3.45Å; A645-R696 PolarHBondContact O-N 3.45Å; A645-R697 HydrophobicContact CB-CG 3.94Å; A645-R697 PolarHBondContact N-O 3.45Å
646V84.5Confident81.9Confident0 Ų053.5 Ų53.50%031%0.311CS..EExtended strand (participates in β ladder)trans-133.9132.1-176.9-177.90000109.3F648 F653 S654 I657 L662 V681 V683 K694V646-F648 HydrophobicContact CG1-CE1 4.47Å; V646-F653 WeakPolarHBondContact O-CD2 3.43Å; V646-S654 PolarHBondContact N-O 3Å; V646-S654 PolarHBondContact O-N 3.1Å; V646-I657 HydrophobicContact CB-CD1 3.96Å; V646-I657 HydrophobicContact CG2-CD1 3.95Å; V646-L662 HydrophobicContact CG2-CD2 4.42Å; V646-V681 HydrophobicContact CG1-CG2 4.06Å; V646-V681 HydrophobicContact CG2-CG2 4.29Å; V646-V683 HydrophobicContact CG1-CG2 4.06Å; V646-V683 HydrophobicContact CG2-CG2 4.16Å; V646-K694 WeakPolarHBondContact CA-O 3.44Å
647D85.8Confident81.5Confident43 Ų4348.3 Ų48.323%0.2329%0.288CS..EExtended strand (participates in β ladder)trans-90.2117.7163.1-66.7-23.9000108.1F653 G693 K694 R696D647-F653 WeakPolarHBondContact OD1-CD2 3.35Å; D647-G693 CarbonylContact O-C 3.38Å; D647-G693 WeakPolarHBondContact O-CA 3.42Å; D647-K694 PolarHBondContact N-O 2.85Å; D647-K694 PolarHBondContact O-N 3.14Å; D647-R696 IonicContact OD2-CZ 3.73Å; D647-R696 IonicContact OD2-NE 2.77Å; D647-R696 PolarHBondContact OD2-NE 2.94Å; D647-R696 IonicContact OD2-NH2 3.95Å; D647-R696 PolarHBondContact OD2-NH2 2.98Å
648F90.3Very high81.4Confident19 Ų1948 Ų488%0.08328%0.28CS..EExtended strand (participates in β ladder)trans-78.8155.6179.5-70.5-83.4000112V646 D650 G651 S652 I657 V683 W685V646-F648 HydrophobicContact CG1-CE1 4.47Å; F648-D650 VanDerWaalsContact CB-OD1 3.28Å; F648-D650 WeakPolarHBondContact CB-OD1 3.41Å; F648-D650 PolarHBondContact O-N 3.01Å; F648-D650 VanDerWaalsContact O-N 3.14Å; F648-G651 PolarHBondContact O-N 3.17Å; F648-S652 WeakPolarHBondContact CB-OG 3.3Å; F648-S652 PolarHBondContact N-O 3.34Å; F648-I657 HydrophobicContact CE2-CD1 3.91Å; F648-I657 HydrophobicContact CZ-CD1 3.67Å; F648-V683 HydrophobicContact CE1-CB 3.96Å; F648-V683 HydrophobicContact CE1-CG2 3.76Å; F648-V683 HydrophobicContact CZ-CB 4.35Å; F648-V683 HydrophobicContact CZ-CG2 4.13Å; F648-W685 HydrophobicContact CE2-CZ3 4.42Å; F648-W685 HydrophobicContact CZ-CE3 4.06Å; F648-W685 HydrophobicContact CZ-CH2 4.37Å; F648-W685 AromaticContact CZ-CZ3 3.84Å; F648-W685 HydrophobicContact CZ-CZ3 3.84Å
649D87.7Confident81.4Confident108 Ų10847.6 Ų47.658%0.57828%0.277SS*.THydrogen-bonded Turntrans-63.4-18.4-179.1-71.5-28.5000113.2G651 G692D649-G651 VanDerWaalsContact C-N 3.25Å; D649-G651 PolarHBondContact O-N 3.17Å; D649-G692 PolarHBondContact N-O 3.49Å; D649-G692 VanDerWaalsContact OD2-C 3.28Å; D649-G692 WeakPolarHBondContact OD2-CA 3.45Å
650D86.2Confident81.7Confident120 Ų12051 Ų5164%0.64230%0.296SS*.THydrogen-bonded Turntrans-82.40.7173.970.6-3.4000113.8F648 S652F648-D650 VanDerWaalsContact CB-OD1 3.28Å; F648-D650 WeakPolarHBondContact CB-OD1 3.41Å; F648-D650 PolarHBondContact O-N 3.01Å; F648-D650 VanDerWaalsContact O-N 3.14Å; D650-S652 VanDerWaalsContact OD1-CB 3.25Å; D650-S652 WeakPolarHBondContact OD1-CB 3.43Å; D650-S652 PolarHBondContact OD1-N 3.13Å; D650-S652 PolarHBondContact OD1-OG 2.85Å
651G77.9Confident82.1Confident72 Ų7246 Ų4674%0.74228%0.275SS*.SBendtrans86.4-0.5-179.100000114.5F648 D649F648-G651 PolarHBondContact O-N 3.17Å; D649-G651 VanDerWaalsContact C-N 3.25Å; D649-G651 PolarHBondContact O-N 3.17Å
652S75.9Confident82.6Confident54 Ų5446.2 Ų46.238%0.37827%0.274SS..  trans-76.9158.1172.570.30000111.8F648 D650F648-S652 WeakPolarHBondContact CB-OG 3.3Å; F648-S652 PolarHBondContact N-O 3.34Å; D650-S652 VanDerWaalsContact OD1-CB 3.25Å; D650-S652 WeakPolarHBondContact OD1-CB 3.43Å; D650-S652 PolarHBondContact OD1-N 3.13Å; D650-S652 PolarHBondContact OD1-OG 2.85Å
653F79.2Confident83Confident124 Ų12447.2 Ų47.254%0.54428%0.277SS..EExtended strand (participates in β ladder)trans-127.3140.4178.9169.2-109.5000109.8A645 V646 D647 N655A645-F653 HydrophobicContact CB-CE2 3.92Å; A645-F653 HydrophobicContact CB-CZ 4.13Å; V646-F653 WeakPolarHBondContact O-CD2 3.43Å; D647-F653 WeakPolarHBondContact OD1-CD2 3.35Å; F653-N655 HydrophobicContact CE1-CB 3.71Å; F653-N655 HydrophobicContact CZ-CB 3.68Å
654S78.3Confident83Confident29 Ų2951.3 Ų51.320%0.20330%0.299CS..EExtended strand (participates in β ladder)trans-133.3137170.2-175.60000110.7A645 V646 I657A645-S654 CarbonylContact C-O 3.59Å; A645-S654 VanDerWaalsContact CA-O 3.25Å; A645-S654 WeakPolarHBondContact CA-O 3.28Å; V646-S654 PolarHBondContact N-O 3Å; V646-S654 PolarHBondContact O-N 3.1Å; S654-I657 WeakPolarHBondContact OG-CG1 3.35Å
655N72.8Confident83.2Confident66 Ų6653.2 Ų53.235%0.35331%0.312SS..EExtended strand (participates in β ladder)trans-124.6107.8175.1-176.143.4000107.2A645 F653 Y699A645-N655 HydrophobicContact CB-CB 4.45Å; F653-N655 HydrophobicContact CE1-CB 3.71Å; F653-N655 HydrophobicContact CZ-CB 3.68Å; N655-Y699 WeakPolarHBondContact OD1-CE1 3.42Å; N655-Y699 VanDerWaalsContact OD1-CZ 3.3Å; N655-Y699 PolarHBondContact OD1-OH 3.4Å
656G76Confident83.5Confident15 Ų1559.8 Ų59.816%0.15534%0.342CS..EExtended strand (participates in β ladder)trans129.814.7-176.400000114.4F643 C644 Y699 T717F643-G656 WeakPolarHBondContact CD1-O 3.15Å; C644-G656 PolarHBondContact O-N 3.21Å; G656-Y699 VanDerWaalsContact CA-OH 3.24Å; G656-Y699 WeakPolarHBondContact CA-OH 3.28Å; G656-Y699 PolarHBondContact N-OH 2.97Å; G656-T717 WeakPolarHBondContact O-CG2 3.29Å
657I82Confident83.3Confident8 Ų860.7 Ų60.74%0.04135%0.349CS..EExtended strand (participates in β ladder)trans-74.9131176.1-55.4177.5000108.1F643 C644 V646 F648 S654 I659 T661 V683 W685F643-I657 CarbonylContact C-O 3.59Å; F643-I657 WeakPolarHBondContact CA-O 3.25Å; C644-I657 PolarHBondContact N-O 2.98Å; C644-I657 PolarHBondContact O-N 3.02Å; V646-I657 HydrophobicContact CB-CD1 3.96Å; V646-I657 HydrophobicContact CG2-CD1 3.95Å; F648-I657 HydrophobicContact CE2-CD1 3.91Å; F648-I657 HydrophobicContact CZ-CD1 3.67Å; S654-I657 WeakPolarHBondContact OG-CG1 3.35Å; I657-I659 PolarHBondContact O-N 2.99Å; I657-T661 WeakPolarHBondContact CG2-OG1 3.35Å; I657-V683 HydrophobicContact CD1-CG1 4.3Å; I657-V683 HydrophobicContact CG2-CG1 3.75Å; I657-W685 HydrophobicContact CD1-CH2 4.15Å; I657-W685 HydrophobicContact CD1-CZ3 3.59Å; I657-W685 HydrophobicContact CG1-CH2 4.03Å; I657-W685 HydrophobicContact CG1-CZ3 3.68Å; I657-W685 HydrophobicContact CG2-CZ3 4.3Å
658F85.2Confident82Confident44 Ų4463.8 Ų63.819%0.19337%0.374CS..EExtended strand (participates in β ladder)trans-59.4128.6173.2-73.8-87000110.5A641 F643 S660 T661 D715A641-F658 HydrophobicContact CB-CD1 3.91Å; A641-F658 HydrophobicContact CB-CE1 3.73Å; F643-F658 HydrophobicContact CD1-CD1 4.19Å; F643-F658 HydrophobicContact CD1-CE1 4.44Å; F643-F658 HydrophobicContact CD1-CG 4.29Å; F643-F658 AromaticContact CE1-CD1 3.62Å; F643-F658 HydrophobicContact CE1-CD1 3.62Å; F643-F658 HydrophobicContact CE1-CD2 4.16Å; F643-F658 AromaticContact CE1-CE1 3.45Å; F643-F658 HydrophobicContact CE1-CE1 3.45Å; F643-F658 VanDerWaalsContact CE1-CE1 3.45Å; F643-F658 HydrophobicContact CE1-CE2 4.01Å; F643-F658 AromaticContact CE1-CG 3.97Å; F643-F658 HydrophobicContact CE1-CG 3.97Å; F643-F658 AromaticContact CE1-CZ 3.66Å; F643-F658 HydrophobicContact CE1-CZ 3.66Å; F643-F658 HydrophobicContact CZ-CD1 4.28Å; F643-F658 AromaticContact CZ-CE1 3.81Å; F643-F658 HydrophobicContact CZ-CE1 3.81Å; F643-F658 HydrophobicContact CZ-CZ 4.13Å; F658-S660 PolarHBondContact O-N 3.01Å; F658-T661 HydrophobicContact CB-CG2 4.09Å; F658-T661 PolarHBondContact O-N 3.32Å; F658-T661 PolarHBondContact O-OG1 2.75Å; F658-D715 HydrophobicContact CZ-CB 4.23Å
659I85.5Confident80.7Confident28 Ų2865.5 Ų65.514%0.14440%0.396CS..G310 helixtrans-60.5-27.7-176.8-157.6167.1000112.3I642 I657 T661 L662 G673 A698I642-I659 HydrophobicContact CB-CB 4.26Å; I642-I659 HydrophobicContact CB-CG2 3.64Å; I642-I659 HydrophobicContact CG2-CB 3.93Å; I642-I659 HydrophobicContact CG2-CD1 3.67Å; I642-I659 HydrophobicContact CG2-CG1 4.42Å; I642-I659 HydrophobicContact CG2-CG2 3.77Å; I642-I659 WeakPolarHBondContact O-CB 3.46Å; I642-I659 WeakPolarHBondContact O-CG2 3.48Å; I642-I659 PolarHBondContact O-N 3.13Å; I657-I659 PolarHBondContact O-N 2.99Å; I659-T661 PolarHBondContact O-N 3.29Å; I659-L662 HydrophobicContact CG1-CD1 4.04Å; I659-L662 WeakPolarHBondContact O-CB 3.25Å; I659-L662 PolarHBondContact O-N 3.25Å; I659-L662 VanDerWaalsContact O-N 3.11Å; I659-G673 WeakPolarHBondContact CD1-O 3.26Å; I659-A698 HydrophobicContact CD1-CB 3.76Å
660S84.1Confident79.4Confident102 Ų10268 Ų6871%0.71341%0.405SS*.G310 helixtrans-65.6-11.6176.456.90000114F658F658-S660 PolarHBondContact O-N 3.01Å
661T87.4Confident78.5Confident41 Ų4163.5 Ų63.525%0.25238%0.383SS..G310 helixtrans-88.8-4.1174.368.20000113I657 F658 I659 E663 R684I657-T661 WeakPolarHBondContact CG2-OG1 3.35Å; F658-T661 HydrophobicContact CB-CG2 4.09Å; F658-T661 PolarHBondContact O-N 3.32Å; F658-T661 PolarHBondContact O-OG1 2.75Å; I659-T661 PolarHBondContact O-N 3.29Å; T661-E663 PolarHBondContact O-N 2.76Å; T661-R684 PolarHBondContact O-N 3.29Å
662L87.8Confident77.8Confident21 Ų2168.8 Ų68.811%0.1139%0.385CS..EExtended strand (participates in β ladder)trans-75.5114.6169.3-59.8-175.8000108.6V646 I659 H675 V681 V683 F695V646-L662 HydrophobicContact CG2-CD2 4.42Å; I659-L662 HydrophobicContact CG1-CD1 4.04Å; I659-L662 WeakPolarHBondContact O-CB 3.25Å; I659-L662 PolarHBondContact O-N 3.25Å; I659-L662 VanDerWaalsContact O-N 3.11Å; L662-H675 WeakPolarHBondContact CD1-NE2 3.38Å; L662-V681 HydrophobicContact CD2-CB 4.21Å; L662-V681 HydrophobicContact CD2-CG2 4.12Å; L662-V683 HydrophobicContact CD2-CB 4.32Å; L662-V683 HydrophobicContact CD2-CG1 4.35Å; L662-V683 HydrophobicContact CD2-CG2 3.66Å; L662-F695 HydrophobicContact CD1-CD2 3.96Å; L662-F695 HydrophobicContact CD1-CE2 4.24Å
663E86.3Confident77.1Confident89 Ų8967.8 Ų67.842%0.41638%0.384SS..EExtended strand (participates in β ladder)trans-92.4-38.1-178.7-64.8-151.2148.300113T661 Q682 R684 L690T661-E663 PolarHBondContact O-N 2.76Å; E663-Q682 PolarHBondContact N-O 3.22Å; E663-R684 VanDerWaalsContact CD-NE 3.31Å; E663-R684 HydrophobicContact CG-CB 4.15Å; E663-R684 IonicContact OE1-CZ 3.37Å; E663-R684 IonicContact OE1-NE 3.23Å; E663-R684 PolarHBondContact OE1-NE 3.18Å; E663-R684 IonicContact OE1-NH2 2.73Å; E663-R684 PolarHBondContact OE1-NH2 3.42Å; E663-R684 IonicContact OE2-CZ 3.44Å; E663-R684 IonicContact OE2-NE 3.36Å; E663-R684 IonicContact OE2-NH2 2.83Å; E663-R684 PolarHBondContact OE2-NH2 2.98Å; E663-L690 HydrophobicContact CB-CD2 4.24Å; E663-L690 HydrophobicContact CG-CD2 4.05Å; E663-L690 WeakPolarHBondContact OE2-CD2 3.31Å
664N84.8Confident76.4Confident93 Ų9365.8 Ų65.850%0.49739%0.39SS..EExtended strand (participates in β ladder)trans-133.2142.1-178.2-68.3-41.6000110.9V681 Q682N664-V681 CarbonylContact O-C 3.47Å; N664-V681 VanDerWaalsContact O-CA 3.28Å; N664-V681 WeakPolarHBondContact O-CA 3.47Å; N664-Q682 HydrophobicContact CB-CB 4.2Å; N664-Q682 HydrophobicContact CB-CG 4.39Å; N664-Q682 PolarHBondContact ND2-OE1 2.12Å; N664-Q682 PolarHBondContact O-N 3.25Å
665C86.4Confident76.4Confident40 Ų4065.7 Ų65.727%0.2739%0.386SS..EExtended strand (participates in β ladder)trans-130.5138176.779.30000110.1C667 C671 H675 V681C665-C667 HydrophobicContact CB-CB 4.5Å; C665-C667 PolarHBondContact O-N 2.82Å; C665-C667 VanDerWaalsContact SG-SG 3.61Å; C665-C671 WeakPolarHBondContact CB-SG 3.36Å; C665-C671 WeakPolarHBondContact SG-CB 3.3Å; C665-C671 CovalentContact SG-SG 2.12Å; C665-C671 PolarHBondContact SG-SG 2.81Å; C665-H675 VanDerWaalsContact CB-CE1 3.48Å; C665-H675 WeakPolarHBondContact CB-CE1 3.23Å; C665-H675 WeakPolarHBondContact CB-ND1 3.39Å; C665-V681 HydrophobicContact CB-CG1 4.32Å
666E88.4Confident76.6Confident139 Ų13967.7 Ų67.765%0.6539%0.394SS*.  trans-86.832.1169.4-69.4-176-176.700112.1K680E666-K680 HydrophobicContact CB-CB 4.38Å; E666-K680 HydrophobicContact CG-CB 4.07Å; E666-K680 PolarHBondContact N-O 3Å
667C80.8Confident77Confident19 Ų1972.5 Ų72.513%0.12842%0.416CS..  trans-69.2149.9177.1-65.50000110.6C665 G669 C671C665-C667 HydrophobicContact CB-CB 4.5Å; C665-C667 PolarHBondContact O-N 2.82Å; C665-C667 VanDerWaalsContact SG-SG 3.61Å; C667-G669 PolarHBondContact O-N 2.76Å; C667-C671 HydrophobicContact CB-CB 3.57Å
668S59.4Low77.1Confident109 Ų10973.9 Ų73.976%0.76243%0.432SS*.SBendtrans-73.370173.543.70000111.5Q676S668-Q676 PolarHBondContact OG-NE2 3.3Å
669G62.1Low77.2Confident54 Ų5472.8 Ų72.856%0.55743%0.429SS*.SBendtrans128.8-180178.700000113.9C667 C671C667-G669 PolarHBondContact O-N 2.76Å; G669-C671 PolarHBondContact O-N 3.5Å
670E61.2Low77.6Confident160 Ų16076.2 Ų76.275%0.74844%0.443SS*.  trans-66.5100.1173-71.1-173.1169.400109.6F672E670-F672 HydrophobicContact CB-CD2 4.25Å; E670-F672 HydrophobicContact CB-CE1 4.38Å; E670-F672 HydrophobicContact CB-CE2 3.74Å; E670-F672 HydrophobicContact CB-CZ 3.8Å; E670-F672 WeakPolarHBondContact O-CD2 3.18Å; E670-F672 WeakPolarHBondContact O-CE2 3.39Å; E670-F672 PolarHBondContact O-N 2.97Å; E670-F672 WeakPolarHBondContact OE2-CZ 3.47Å
671C68.1Low77.9Confident27 Ų2771.6 Ų71.618%0.18241%0.41CS..  trans-71-12.2-169.456.50000113.6C665 C667 G669 G673 A674 H675C665-C671 WeakPolarHBondContact CB-SG 3.36Å; C665-C671 WeakPolarHBondContact SG-CB 3.3Å; C665-C671 CovalentContact SG-SG 2.12Å; C665-C671 PolarHBondContact SG-SG 2.81Å; C667-C671 HydrophobicContact CB-CB 3.57Å; G669-C671 PolarHBondContact O-N 3.5Å; C671-G673 PolarHBondContact O-N 3.48Å; C671-A674 WeakPolarHBondContact O-CA 3.23Å; C671-A674 PolarHBondContact O-N 3.47Å; C671-H675 PolarHBondContact SG-CE1 2.82Å; C671-H675 PolarHBondContact SG-ND1 2.91Å
672F62Low78.2Confident182 Ų18273.4 Ų73.480%0.79842%0.416SS*.THydrogen-bonded Turntrans39.434.2-178.9-59.4-71.2000114.9E670 A674E670-F672 HydrophobicContact CB-CD2 4.25Å; E670-F672 HydrophobicContact CB-CE1 4.38Å; E670-F672 HydrophobicContact CB-CE2 3.74Å; E670-F672 HydrophobicContact CB-CZ 3.8Å; E670-F672 WeakPolarHBondContact O-CD2 3.18Å; E670-F672 WeakPolarHBondContact O-CE2 3.39Å; E670-F672 PolarHBondContact O-N 2.97Å; E670-F672 WeakPolarHBondContact OE2-CZ 3.47Å; F672-A674 VanDerWaalsContact C-N 3.33Å; F672-A674 PolarHBondContact O-N 2.73Å
673G61.5Low78.3Confident34 Ų3472.4 Ų72.435%0.35141%0.411SS..THydrogen-bonded Turntrans82.5-6.2-176.100000116.1I659 C671 H675I659-G673 WeakPolarHBondContact CD1-O 3.26Å; C671-G673 PolarHBondContact O-N 3.48Å; G673-H675 PolarHBondContact O-N 2.89Å
674A64.2Low78.5Confident81 Ų8173 Ų7367%0.66941%0.409SS*.  trans-91.562.3173.400000111.7C671 F672C671-A674 WeakPolarHBondContact O-CA 3.23Å; C671-A674 PolarHBondContact O-N 3.47Å; F672-A674 VanDerWaalsContact C-N 3.33Å; F672-A674 PolarHBondContact O-N 2.73Å
675H78.8Confident78.4Confident27 Ų2772.9 Ų72.913%0.12540%0.402CS..PPolyproline II helixtrans-64.1142.2-178.9-54.2-77.4000112.5L662 C665 C671 G673 V679 F695L662-H675 WeakPolarHBondContact CD1-NE2 3.38Å; C665-H675 VanDerWaalsContact CB-CE1 3.48Å; C665-H675 WeakPolarHBondContact CB-CE1 3.23Å; C665-H675 WeakPolarHBondContact CB-ND1 3.39Å; C671-H675 PolarHBondContact SG-CE1 2.82Å; C671-H675 PolarHBondContact SG-ND1 2.91Å; G673-H675 PolarHBondContact O-N 2.89Å; H675-V679 HydrophobicContact CB-CG2 4.35Å; H675-F695 HydrophobicContact CB-CD1 3.68Å; H675-F695 HydrophobicContact CB-CD2 3.96Å; H675-F695 HydrophobicContact CB-CE1 3.66Å; H675-F695 HydrophobicContact CB-CE2 3.92Å; H675-F695 HydrophobicContact CB-CG 3.82Å; H675-F695 HydrophobicContact CB-CZ 3.76Å; H675-F695 AromaticContact CD2-CE2 3.99Å; H675-F695 WeakPolarHBondContact O-CE1 3.19Å
676Q76.9Confident77.8Confident109 Ų10977 Ų7751%0.50942%0.42SS..PPolyproline II helixtrans-77.6141.1175.4-68174.310.100110.8S668 G678 V679 F695S668-Q676 PolarHBondContact OG-NE2 3.3Å; Q676-G678 PolarHBondContact O-N 3.15Å; Q676-V679 HydrophobicContact CB-CG1 3.76Å; Q676-V679 WeakPolarHBondContact O-CG1 3.37Å; Q676-V679 WeakPolarHBondContact O-CG2 3.26Å; Q676-V679 PolarHBondContact O-N 2.87Å; Q676-F695 WeakPolarHBondContact O-CD1 3.46Å
677N83.4Confident77.4Confident115 Ų11573.6 Ų73.662%0.61541%0.406SS*.THydrogen-bonded Turntrans-59.1130.4175.6-177.58.9000110.8R696N677-R696 WeakPolarHBondContact CB-O 3.46Å; N677-R696 PolarHBondContact OD1-O 3.02Å
678G83.7Confident77.4Confident38 Ų3880.5 Ų80.539%0.39243%0.434SS..THydrogen-bonded Turntrans94.2-9.3177.100000115.4Q676 F695Q676-G678 PolarHBondContact O-N 3.15Å; G678-F695 PolarHBondContact N-O 3.21Å
679V88.9Confident78.6Confident21 Ų2181.6 Ų81.613%0.12743%0.425CS..  trans-68.7147.5178.1-59.40000111.4H675 Q676 V681 K694 F695H675-V679 HydrophobicContact CB-CG2 4.35Å; Q676-V679 HydrophobicContact CB-CG1 3.76Å; Q676-V679 WeakPolarHBondContact O-CG1 3.37Å; Q676-V679 WeakPolarHBondContact O-CG2 3.26Å; Q676-V679 PolarHBondContact O-N 2.87Å; V679-V681 HydrophobicContact CG2-CG1 4.16Å; V679-K694 WeakPolarHBondContact O-CA 3.43Å; V679-F695 HydrophobicContact CG2-CB 4.06Å; V679-F695 PolarHBondContact O-N 3.29Å
680K92.3Very high80Confident100 Ų10082.6 Ų82.644%0.43542%0.417SS..EExtended strand (participates in β ladder)trans-69.5138170.2-76.4-171.9173.6-172.10110.5E666 G693E666-K680 HydrophobicContact CB-CB 4.38Å; E666-K680 HydrophobicContact CG-CB 4.07Å; E666-K680 PolarHBondContact N-O 3Å; K680-G693 CarbonylContact C-O 3.58Å; K680-G693 VanDerWaalsContact CA-O 3.3Å; K680-G693 WeakPolarHBondContact CA-O 3.48Å
681V92.1Very high81.5Confident4 Ų479 Ų792%0.02440%0.397CS..EExtended strand (participates in β ladder)trans-133.3154.2176.1-67.10000110.1V646 L662 N664 C665 V679 V683 G693 F695V646-V681 HydrophobicContact CG1-CG2 4.06Å; V646-V681 HydrophobicContact CG2-CG2 4.29Å; L662-V681 HydrophobicContact CD2-CB 4.21Å; L662-V681 HydrophobicContact CD2-CG2 4.12Å; N664-V681 CarbonylContact O-C 3.47Å; N664-V681 VanDerWaalsContact O-CA 3.28Å; N664-V681 WeakPolarHBondContact O-CA 3.47Å; C665-V681 HydrophobicContact CB-CG1 4.32Å; V679-V681 HydrophobicContact CG2-CG1 4.16Å; V681-V683 HydrophobicContact CG2-CG2 4.42Å; V681-G693 PolarHBondContact N-O 2.64Å; V681-G693 PolarHBondContact O-N 2.9Å; V681-F695 HydrophobicContact CG1-CB 3.7Å; V681-F695 HydrophobicContact CG2-CB 4.04Å
682Q93.3Very high82.6Confident80 Ų8078.9 Ų78.937%0.37440%0.401SS..EExtended strand (participates in β ladder)trans-110122.3167.1-66-175.5-36.300109.6E663 N664 L690 Y691E663-Q682 PolarHBondContact N-O 3.22Å; N664-Q682 HydrophobicContact CB-CB 4.2Å; N664-Q682 HydrophobicContact CB-CG 4.39Å; N664-Q682 PolarHBondContact ND2-OE1 2.12Å; N664-Q682 PolarHBondContact O-N 3.25Å; Q682-L690 HydrophobicContact CB-CD2 4.35Å; Q682-Y691 WeakPolarHBondContact CA-O 3.3Å
683V89.6Confident84.1Confident0 Ų070.2 Ų70.20%036%0.363CS..EExtended strand (participates in β ladder)trans-101.4126.5179.5-166.50000109V646 F648 I657 L662 V681 W685 L690 Y691V646-V683 HydrophobicContact CG1-CG2 4.06Å; V646-V683 HydrophobicContact CG2-CG2 4.16Å; F648-V683 HydrophobicContact CE1-CB 3.96Å; F648-V683 HydrophobicContact CE1-CG2 3.76Å; F648-V683 HydrophobicContact CZ-CB 4.35Å; F648-V683 HydrophobicContact CZ-CG2 4.13Å; I657-V683 HydrophobicContact CD1-CG1 4.3Å; I657-V683 HydrophobicContact CG2-CG1 3.75Å; L662-V683 HydrophobicContact CD2-CB 4.32Å; L662-V683 HydrophobicContact CD2-CG1 4.35Å; L662-V683 HydrophobicContact CD2-CG2 3.66Å; V681-V683 HydrophobicContact CG2-CG2 4.42Å; V683-W685 HydrophobicContact CG1-CE3 4.09Å; V683-W685 HydrophobicContact CG1-CZ3 4.38Å; V683-W685 PolarHBondContact O-N 2.91Å; V683-L690 WeakPolarHBondContact O-CA 3.4Å; V683-Y691 PolarHBondContact N-O 3.2Å; V683-Y691 PolarHBondContact O-N 2.97Å
684R90.7Very high85.5Confident101 Ų10173.3 Ų73.338%0.38137%0.367SS..EExtended strand (participates in β ladder)trans-78.7115.1165.3-175177.5-63.5-85.11.1109.2T661 E663 K688 K689 L690T661-R684 PolarHBondContact O-N 3.29Å; E663-R684 VanDerWaalsContact CD-NE 3.31Å; E663-R684 HydrophobicContact CG-CB 4.15Å; E663-R684 IonicContact OE1-CZ 3.37Å; E663-R684 IonicContact OE1-NE 3.23Å; E663-R684 PolarHBondContact OE1-NE 3.18Å; E663-R684 IonicContact OE1-NH2 2.73Å; E663-R684 PolarHBondContact OE1-NH2 3.42Å; E663-R684 IonicContact OE2-CZ 3.44Å; E663-R684 IonicContact OE2-NE 3.36Å; E663-R684 IonicContact OE2-NH2 2.83Å; E663-R684 PolarHBondContact OE2-NH2 2.98Å; R684-K688 PolarHBondContact NH1-O 2.78Å; R684-K689 WeakPolarHBondContact CA-O 3.17Å; R684-L690 HydrophobicContact CB-CD2 3.97Å
685W82.6Confident86.7Confident90 Ų9069.8 Ų69.834%0.34134%0.337SS..  trans-87.5173.8-178.3-153.3-124.5000112.8F648 I657 V683 D687 K688 K689 Y691F648-W685 HydrophobicContact CE2-CZ3 4.42Å; F648-W685 HydrophobicContact CZ-CE3 4.06Å; F648-W685 HydrophobicContact CZ-CH2 4.37Å; F648-W685 AromaticContact CZ-CZ3 3.84Å; F648-W685 HydrophobicContact CZ-CZ3 3.84Å; I657-W685 HydrophobicContact CD1-CH2 4.15Å; I657-W685 HydrophobicContact CD1-CZ3 3.59Å; I657-W685 HydrophobicContact CG1-CH2 4.03Å; I657-W685 HydrophobicContact CG1-CZ3 3.68Å; I657-W685 HydrophobicContact CG2-CZ3 4.3Å; V683-W685 HydrophobicContact CG1-CE3 4.09Å; V683-W685 HydrophobicContact CG1-CZ3 4.38Å; V683-W685 PolarHBondContact O-N 2.91Å; W685-D687 PolarHBondContact O-N 3.01Å; W685-D687 VanDerWaalsContact O-N 3.1Å; W685-K688 WeakPolarHBondContact O-CA 3.21Å; W685-K688 PolarHBondContact O-N 2.96Å; W685-K689 PolarHBondContact N-O 2.72Å; W685-Y691 HydrophobicContact CB-CD2 3.58Å; W685-Y691 HydrophobicContact CB-CE2 3.56Å; W685-Y691 HydrophobicContact CG-CD2 4.34Å; W685-Y691 HydrophobicContact CG-CE2 4.23Å
686I73.1Confident87Confident128 Ų12873.7 Ų73.766%0.65635%0.35SS*.THydrogen-bonded Turntrans-60-21.1-178.659.4172000113.6K688I686-K688 PolarHBondContact O-N 2.81Å
687D79.9Confident87.1Confident66 Ų6675.3 Ų75.335%0.35335%0.352SS..THydrogen-bonded Turntrans-86.67.317577.6-19.7000113.4W685 K689 Y691W685-D687 PolarHBondContact O-N 3.01Å; W685-D687 VanDerWaalsContact O-N 3.1Å; D687-K689 PolarHBondContact O-N 2.64Å; D687-K689 WeakPolarHBondContact OD1-CB 3.01Å; D687-K689 PolarHBondContact OD1-N 2.95Å; D687-K689 VanDerWaalsContact OD2-CD 3.29Å; D687-K689 WeakPolarHBondContact OD2-CD 3.46Å; D687-K689 IonicContact OD2-NZ 3.64Å; D687-Y691 PolarHBondContact OD2-OH 2.95Å; D687-Y691 VanDerWaalsContact OD2-OH 3.04Å
688K80.4Confident86.9Confident165 Ų16572 Ų7272%0.71734%0.34SS*.SBendtrans67.84.8-177.6-52.4-177.6178.4-178.20115.3R684 W685 I686R684-K688 PolarHBondContact NH1-O 2.78Å; W685-K688 WeakPolarHBondContact O-CA 3.21Å; W685-K688 PolarHBondContact O-N 2.96Å; I686-K688 PolarHBondContact O-N 2.81Å
689K86.7Confident86.4Confident131 Ų13173.2 Ų73.257%0.5733%0.334SS*.  trans-86.2160.1174.5-60.7-177.2-169161.50111.2R684 W685 D687 Y691R684-K689 WeakPolarHBondContact CA-O 3.17Å; W685-K689 PolarHBondContact N-O 2.72Å; D687-K689 PolarHBondContact O-N 2.64Å; D687-K689 WeakPolarHBondContact OD1-CB 3.01Å; D687-K689 PolarHBondContact OD1-N 2.95Å; D687-K689 VanDerWaalsContact OD2-CD 3.29Å; D687-K689 WeakPolarHBondContact OD2-CD 3.46Å; D687-K689 IonicContact OD2-NZ 3.64Å; K689-Y691 HydrophobicContact CB-CD2 4.47Å; K689-Y691 HydrophobicContact CB-CE2 3.8Å
690L91.1Very high85.6Confident76 Ų7676.6 Ų76.640%0.39835%0.348SS..EExtended strand (participates in β ladder)trans-97.5130.2176.2-73.3170.3000110.3E663 Q682 V683 R684E663-L690 HydrophobicContact CB-CD2 4.24Å; E663-L690 HydrophobicContact CG-CD2 4.05Å; E663-L690 WeakPolarHBondContact OE2-CD2 3.31Å; Q682-L690 HydrophobicContact CB-CD2 4.35Å; V683-L690 WeakPolarHBondContact O-CA 3.4Å; R684-L690 HydrophobicContact CB-CD2 3.97Å
691Y92.1Very high84.5Confident83 Ų8372.9 Ų72.933%0.32534%0.338SS..EExtended strand (participates in β ladder)trans-119.2131.6177.1-67-95.8000109.5Q682 V683 W685 D687 K689Q682-Y691 WeakPolarHBondContact CA-O 3.3Å; V683-Y691 PolarHBondContact N-O 3.2Å; V683-Y691 PolarHBondContact O-N 2.97Å; W685-Y691 HydrophobicContact CB-CD2 3.58Å; W685-Y691 HydrophobicContact CB-CE2 3.56Å; W685-Y691 HydrophobicContact CG-CD2 4.34Å; W685-Y691 HydrophobicContact CG-CE2 4.23Å; D687-Y691 PolarHBondContact OD2-OH 2.95Å; D687-Y691 VanDerWaalsContact OD2-OH 3.04Å; K689-Y691 HydrophobicContact CB-CD2 4.47Å; K689-Y691 HydrophobicContact CB-CE2 3.8Å
692G92.3Very high84Confident25 Ų2574.7 Ų74.726%0.25835%0.35SS..EExtended strand (participates in β ladder)trans-77.5145.9173.100000111.4D649D649-G692 PolarHBondContact N-O 3.49Å; D649-G692 VanDerWaalsContact OD2-C 3.28Å; D649-G692 WeakPolarHBondContact OD2-CA 3.45Å
693G91.7Very high83.7Confident1 Ų171.8 Ų71.81%0.0134%0.339CS..EExtended strand (participates in β ladder)trans-167179.8173.800000112.8D647 K680 V681D647-G693 CarbonylContact O-C 3.38Å; D647-G693 WeakPolarHBondContact O-CA 3.42Å; K680-G693 CarbonylContact C-O 3.58Å; K680-G693 VanDerWaalsContact CA-O 3.3Å; K680-G693 WeakPolarHBondContact CA-O 3.48Å; V681-G693 PolarHBondContact N-O 2.64Å; V681-G693 PolarHBondContact O-N 2.9Å
694K92.1Very high83.7Confident99 Ų9971.8 Ų71.843%0.4334%0.339SS..EExtended strand (participates in β ladder)trans-106.4122.7174.5-67.8-179.6-177.8175.50110V646 D647 V679V646-K694 WeakPolarHBondContact CA-O 3.44Å; D647-K694 PolarHBondContact N-O 2.85Å; D647-K694 PolarHBondContact O-N 3.14Å; V679-K694 WeakPolarHBondContact O-CA 3.43Å
695F89.8Confident83.8Confident6 Ų672 Ų723%0.02634%0.34CS..EExtended strand (participates in β ladder)trans-68.4134174.9175.7-90.1000110.4C644 L662 H675 Q676 G678 V679 V681 A698C644-F695 HydrophobicContact CB-CD2 4.02Å; C644-F695 HydrophobicContact CB-CE2 3.56Å; L662-F695 HydrophobicContact CD1-CD2 3.96Å; L662-F695 HydrophobicContact CD1-CE2 4.24Å; H675-F695 HydrophobicContact CB-CD1 3.68Å; H675-F695 HydrophobicContact CB-CD2 3.96Å; H675-F695 HydrophobicContact CB-CE1 3.66Å; H675-F695 HydrophobicContact CB-CE2 3.92Å; H675-F695 HydrophobicContact CB-CG 3.82Å; H675-F695 HydrophobicContact CB-CZ 3.76Å; H675-F695 AromaticContact CD2-CE2 3.99Å; H675-F695 WeakPolarHBondContact O-CE1 3.19Å; Q676-F695 WeakPolarHBondContact O-CD1 3.46Å; G678-F695 PolarHBondContact N-O 3.21Å; V679-F695 HydrophobicContact CG2-CB 4.06Å; V679-F695 PolarHBondContact O-N 3.29Å; V681-F695 HydrophobicContact CG1-CB 3.7Å; V681-F695 HydrophobicContact CG2-CB 4.04Å; F695-A698 HydrophobicContact CE2-CB 4.25Å; F695-A698 HydrophobicContact CZ-CB 3.81Å
696R83.3Confident84.2Confident110 Ų11067.8 Ų67.842%0.41532%0.324SS..EExtended strand (participates in β ladder)trans-104.7-54.4178.2-67.9-59.6-167171.50.9112.9A645 D647 N677A645-R696 HydrophobicContact CB-CB 4.17Å; A645-R696 WeakPolarHBondContact O-CB 3.45Å; A645-R696 PolarHBondContact O-N 3.45Å; D647-R696 IonicContact OD2-CZ 3.73Å; D647-R696 IonicContact OD2-NE 2.77Å; D647-R696 PolarHBondContact OD2-NE 2.94Å; D647-R696 IonicContact OD2-NH2 3.95Å; D647-R696 PolarHBondContact OD2-NH2 2.98Å; N677-R696 WeakPolarHBondContact CB-O 3.46Å; N677-R696 PolarHBondContact OD1-O 3.02Å
697R79.7Confident85.2Confident143 Ų14364.2 Ų64.254%0.5431%0.306SS..EExtended strand (participates in β ladder)trans-159.4154-178.261.6177.5-175.1-177.21.8110.7C644 A645 Y699C644-R697 CarbonylContact C-O 3.57Å; C644-R697 WeakPolarHBondContact CA-O 3.38Å; C644-R697 WeakPolarHBondContact CB-O 3.48Å; A645-R697 HydrophobicContact CB-CG 3.94Å; A645-R697 PolarHBondContact N-O 3.45Å; R697-Y699 HydrophobicContact CG-CD1 4.38Å
698A80.6Confident85.8Confident45 Ų4561.1 Ų61.137%0.37229%0.289SS..EExtended strand (participates in β ladder)trans-104.2149.4161.900000109.3I642 F643 I659 F695I642-A698 HydrophobicContact CG2-CB 4.02Å; F643-A698 CarbonylContact O-C 3.49Å; F643-A698 WeakPolarHBondContact O-CA 3.23Å; I659-A698 HydrophobicContact CD1-CB 3.76Å; F695-A698 HydrophobicContact CE2-CB 4.25Å; F695-A698 HydrophobicContact CZ-CB 3.81Å
699Y72.7Confident86.2Confident64 Ų6457.8 Ų57.825%0.25128%0.279SS..EExtended strand (participates in β ladder)trans-152.9154.1176.560.6-83.5000110.3F643 N655 G656 R697F643-Y699 HydrophobicContact CB-CD1 4.49Å; F643-Y699 HydrophobicContact CB-CD2 4.34Å; F643-Y699 HydrophobicContact CB-CE1 4.03Å; F643-Y699 HydrophobicContact CB-CE2 3.86Å; F643-Y699 HydrophobicContact CD2-CE2 4.33Å; F643-Y699 HydrophobicContact CG-CE2 4.43Å; F643-Y699 PolarHBondContact N-O 2.89Å; F643-Y699 PolarHBondContact O-N 3.34Å; N655-Y699 WeakPolarHBondContact OD1-CE1 3.42Å; N655-Y699 VanDerWaalsContact OD1-CZ 3.3Å; N655-Y699 PolarHBondContact OD1-OH 3.4Å; G656-Y699 VanDerWaalsContact CA-OH 3.24Å; G656-Y699 WeakPolarHBondContact CA-OH 3.28Å; G656-Y699 PolarHBondContact N-OH 2.97Å; R697-Y699 HydrophobicContact CG-CD1 4.38Å
700H71.4Confident86.2Confident91 Ų9155.8 Ų55.842%0.42128%0.275SS..EExtended strand (participates in β ladder)trans-81.9141.7174.8-76.8-108.3000110R79 E640R79-H700 PolarHBondContact NH1-NE2 3.12Å; E640-H700 WeakPolarHBondContact OE1-CB 3.49Å; E640-H700 IonicContact OE1-CE1 2.75Å; E640-H700 IonicContact OE1-CG 2.79Å; E640-H700 IonicContact OE1-ND1 3.47Å; E640-H700 PolarHBondContact OE1-ND1 2.89Å
701G70.4Confident86Confident22 Ų2254.7 Ų54.723%0.22728%0.282CS..EExtended strand (participates in β ladder)trans-152.8173.7171.400000111.7A641 F643A641-G701 PolarHBondContact N-O 2.98Å; A641-G701 PolarHBondContact O-N 2.62Å; F643-G701 VanDerWaalsContact CE2-C 3.49Å; F643-G701 WeakPolarHBondContact CE2-O 3.3Å
702S80.9Confident85.9Confident42 Ų4255.4 Ų55.429%0.29429%0.288SS..EExtended strand (participates in β ladder)trans-78.5129.1174.4-52.70000111.2G639G639-S702 WeakPolarHBondContact O-CA 3.04Å
703S86.4Confident85.8Confident19 Ų1958.5 Ų58.513%0.13330%0.299CS..EExtended strand (participates in β ladder)trans-104.1141.3167.563.30000110.6G639G639-S703 PolarHBondContact N-O 3.18Å; G639-S703 PolarHBondContact O-N 3.29Å; G639-S703 PolarHBondContact O-OG 2.99Å
704Y90Very high85.8Confident0 Ų059.2 Ų59.20%030%0.302CS..EExtended strand (participates in β ladder)trans-119.6116.4-176.5-63.8-91.4000108.9V615 V635 V638 D715 C716 R718 V721V615-Y704 HydrophobicContact CB-CD1 4.39Å; V615-Y704 HydrophobicContact CB-CE1 3.87Å; V615-Y704 WeakPolarHBondContact O-CE1 3.36Å; V635-Y704 HydrophobicContact CG1-CD1 4.23Å; V638-Y704 HydrophobicContact CG1-CD1 4.32Å; V638-Y704 HydrophobicContact CG1-CE1 3.89Å; V638-Y704 HydrophobicContact CG2-CD1 4Å; V638-Y704 HydrophobicContact CG2-CE1 3.94Å; Y704-D715 CarbonylContact O-C 3.47Å; Y704-D715 WeakPolarHBondContact O-CA 3.33Å; Y704-C716 PolarHBondContact N-O 3.31Å; Y704-C716 PolarHBondContact O-N 3.45Å; Y704-R718 HydrophobicContact CE2-CB 3.8Å; Y704-R718 HydrophobicContact CE2-CG 4.41Å; Y704-R718 WeakPolarHBondContact OH-CD 3.34Å; Y704-V721 HydrophobicContact CD2-CG2 4.4Å; Y704-V721 HydrophobicContact CG-CG2 4.25Å
705R92.3Very high85.5Confident107 Ų10758.3 Ų58.340%0.40430%0.302SS..EExtended strand (participates in β ladder)trans-91.9114.8170.9-176.3161.4-78.7179.5-2.8108.6K636 S637 L713 I714 D715K636-R705 HydrophobicContact CB-CG 4.46Å; K636-R705 PolarHBondContact N-O 2.91Å; S637-R705 PolarHBondContact N-O 2.73Å; S637-R705 PolarHBondContact O-N 2.92Å; S637-R705 WeakPolarHBondContact OG-CB 3.43Å; R705-L713 HydrophobicContact CG-CD2 3.62Å; R705-L713 HydrophobicContact CG-CG 4.02Å; R705-I714 CarbonylContact C-O 3.6Å; R705-I714 WeakPolarHBondContact CA-O 3.4Å; R705-D715 WeakPolarHBondContact CB-OD1 3.26Å; R705-D715 WeakPolarHBondContact CG-OD1 3.36Å; R705-D715 IonicContact CZ-OD1 2.67Å; R705-D715 IonicContact CZ-OD2 3.71Å; R705-D715 IonicContact NE-OD1 2.79Å; R705-D715 PolarHBondContact NE-OD1 2.98Å; R705-D715 IonicContact NE-OD2 2.75Å; R705-D715 IonicContact NH2-OD1 3.11Å; R705-D715 PolarHBondContact NH2-OD1 3.38Å; R705-D715 IonicContact NH2-OD2 3.67Å; R705-D715 PolarHBondContact NH2-OD2 3.17Å
706I92.3Very high85.3Confident0 Ų058.1 Ų58.10%030%0.301CS..EExtended strand (participates in β ladder)trans-117.7126-171.3-58.9173.5000108.6V621 A623 V635 L708 L713 I714 C716 V721V621-I706 HydrophobicContact CG2-CD1 3.93Å; V621-I706 HydrophobicContact CG2-CG1 4.31Å; V621-I706 HydrophobicContact CG2-CG2 3.78Å; A623-I706 HydrophobicContact CB-CD1 3.57Å; A623-I706 HydrophobicContact CB-CG2 4.2Å; V635-I706 HydrophobicContact CG2-CG1 4.36Å; I706-L708 HydrophobicContact CG2-CD2 4.03Å; I706-L713 WeakPolarHBondContact O-CA 3.3Å; I706-I714 HydrophobicContact CB-CG1 4.07Å; I706-I714 PolarHBondContact N-O 3.23Å; I706-I714 PolarHBondContact O-N 2.93Å; I706-C716 HydrophobicContact CD1-CB 4.32Å; I706-V721 HydrophobicContact CD1-CB 4.36Å; I706-V721 HydrophobicContact CD1-CG1 3.93Å; I706-V721 HydrophobicContact CD1-CG2 3.43Å; I706-V721 VanDerWaalsContact CD1-CG2 3.43Å
707L94.2Very high85.4Confident53 Ų5353.7 Ų53.728%0.27729%0.287SS..EExtended strand (participates in β ladder)trans-85.6108.8165.2178.468.6000107.2G633 V634 K636 G711 L713G633-L707 CarbonylContact C-O 3.58Å; G633-L707 WeakPolarHBondContact CA-O 3.25Å; V634-L707 PolarHBondContact N-O 3.41Å; V634-L707 PolarHBondContact O-N 2.86Å; K636-L707 HydrophobicContact CD-CB 4.16Å; K636-L707 VanDerWaalsContact CE-CB 3.4Å; K636-L707 HydrophobicContact CG-CB 3.65Å; L707-G711 WeakPolarHBondContact CD1-O 3.42Å; L707-L713 HydrophobicContact CB-CD1 3.97Å; L707-L713 HydrophobicContact CD1-CD1 3.78Å; L707-L713 HydrophobicContact CG-CD1 4.49Å
708L92.6Very high85.6Confident2 Ų248.3 Ų48.31%0.0127%0.266CS..EExtended strand (participates in β ladder)trans-68.6156174-60.2-178.2000110.8A623 C625 Y632 I706 D710 G711 Q712 I714A623-L708 HydrophobicContact CB-CD2 4.08Å; C625-L708 HydrophobicContact CB-CD1 3.83Å; C625-L708 WeakPolarHBondContact SG-CD1 3.17Å; Y632-L708 WeakPolarHBondContact O-CA 3.21Å; I706-L708 HydrophobicContact CG2-CD2 4.03Å; L708-D710 VanDerWaalsContact CB-OD1 3.25Å; L708-D710 WeakPolarHBondContact CB-OD1 3.08Å; L708-D710 PolarHBondContact O-N 3.07Å; L708-G711 WeakPolarHBondContact O-CA 3.34Å; L708-G711 PolarHBondContact O-N 2.64Å; L708-Q712 WeakPolarHBondContact CB-O 3.38Å; L708-Q712 HydrophobicContact CD1-CB 4.23Å; L708-Q712 PolarHBondContact N-O 3.16Å; L708-I714 HydrophobicContact CD1-CD1 4.03Å; L708-I714 HydrophobicContact CD1-CG1 4.37Å; L708-I714 HydrophobicContact CD1-CG2 3.92Å; L708-I714 HydrophobicContact CD2-CD1 3.74Å; L708-I714 HydrophobicContact CD2-CG1 4.14Å; L708-I714 HydrophobicContact CG-CD1 4.07Å; L708-I714 HydrophobicContact CG-CG1 4.13Å; L708-I714 HydrophobicContact CG-CG2 4.39Å
709D87.6Confident85.6Confident94 Ų9451.2 Ų51.250%0.50328%0.276SS..THydrogen-bonded Turntrans-63-20.8179.4-743.7000112.6R620 Y632 G711R620-D709 IonicContact NH2-OD2 3.16Å; R620-D709 PolarHBondContact NH2-OD2 3.04Å; Y632-D709 WeakPolarHBondContact CB-OD2 3.36Å; Y632-D709 PolarHBondContact O-N 2.83Å; D709-G711 PolarHBondContact O-N 3.47Å
710D86.8Confident86.2Confident90 Ų9051.3 Ų51.348%0.48128%0.278SS..THydrogen-bonded Turntrans-81.75.3172.264.211.8000113.8L708 Q712L708-D710 VanDerWaalsContact CB-OD1 3.25Å; L708-D710 WeakPolarHBondContact CB-OD1 3.08Å; L708-D710 PolarHBondContact O-N 3.07Å; D710-Q712 VanDerWaalsContact C-N 3.29Å; D710-Q712 PolarHBondContact O-N 2.8Å; D710-Q712 VanDerWaalsContact OD1-CB 3.28Å; D710-Q712 WeakPolarHBondContact OD1-CB 3.37Å; D710-Q712 PolarHBondContact OD1-N 3.18Å; D710-Q712 VanDerWaalsContact OD1-N 3.12Å
711G86.9Confident87Confident53 Ų5347 Ų4755%0.54626%0.258SS..SBendtrans84.6-5.4178.900000114.4L707 L708 D709L707-G711 WeakPolarHBondContact CD1-O 3.42Å; L708-G711 WeakPolarHBondContact O-CA 3.34Å; L708-G711 PolarHBondContact O-N 2.64Å; D709-G711 PolarHBondContact O-N 3.47Å
712Q90.2Very high87.8Confident97 Ų9747 Ų4745%0.45325%0.251SS..  trans-74134.2177.5-174.4179.62.900110.8L708 D710 I714L708-Q712 WeakPolarHBondContact CB-O 3.38Å; L708-Q712 HydrophobicContact CD1-CB 4.23Å; L708-Q712 PolarHBondContact N-O 3.16Å; D710-Q712 VanDerWaalsContact C-N 3.29Å; D710-Q712 PolarHBondContact O-N 2.8Å; D710-Q712 VanDerWaalsContact OD1-CB 3.28Å; D710-Q712 WeakPolarHBondContact OD1-CB 3.37Å; D710-Q712 PolarHBondContact OD1-N 3.18Å; D710-Q712 VanDerWaalsContact OD1-N 3.12Å; Q712-I714 HydrophobicContact CG-CG2 4.05Å
713L90.9Very high87.9Confident91 Ų9145 Ų4548%0.47624%0.238SC..EExtended strand (participates in β ladder)trans-89.8128.7169.2-13987.6000109.4K636 R705 I706 L707K636-L713 HydrophobicContact CG-CD1 4.33Å; R705-L713 HydrophobicContact CG-CD2 3.62Å; R705-L713 HydrophobicContact CG-CG 4.02Å; I706-L713 WeakPolarHBondContact O-CA 3.3Å; L707-L713 HydrophobicContact CB-CD1 3.97Å; L707-L713 HydrophobicContact CD1-CD1 3.78Å; L707-L713 HydrophobicContact CG-CD1 4.49Å
714I89.8Confident87.1Confident16 Ų1645.3 Ų45.38%0.08224%0.239CC..EExtended strand (participates in β ladder)trans-126.9150.8174.465.9171.6000110.7A623 C625 R705 I706 L708 Q712 C716A623-I714 HydrophobicContact CB-CD1 3.86Å; C625-I714 HydrophobicContact CB-CD1 4.28Å; R705-I714 CarbonylContact C-O 3.6Å; R705-I714 WeakPolarHBondContact CA-O 3.4Å; I706-I714 HydrophobicContact CB-CG1 4.07Å; I706-I714 PolarHBondContact N-O 3.23Å; I706-I714 PolarHBondContact O-N 2.93Å; L708-I714 HydrophobicContact CD1-CD1 4.03Å; L708-I714 HydrophobicContact CD1-CG1 4.37Å; L708-I714 HydrophobicContact CD1-CG2 3.92Å; L708-I714 HydrophobicContact CD2-CD1 3.74Å; L708-I714 HydrophobicContact CD2-CG1 4.14Å; L708-I714 HydrophobicContact CG-CD1 4.07Å; L708-I714 HydrophobicContact CG-CG1 4.13Å; L708-I714 HydrophobicContact CG-CG2 4.39Å; Q712-I714 HydrophobicContact CG-CG2 4.05Å; I714-C716 WeakPolarHBondContact CD1-SG 3.48Å
715D86.9Confident86Confident79 Ų7948.2 Ų48.242%0.42227%0.269SS..EExtended strand (participates in β ladder)trans-107.2126.2170-71.2-36.1000108.2F658 Y704 R705F658-D715 HydrophobicContact CZ-CB 4.23Å; Y704-D715 CarbonylContact O-C 3.47Å; Y704-D715 WeakPolarHBondContact O-CA 3.33Å; R705-D715 WeakPolarHBondContact CB-OD1 3.26Å; R705-D715 WeakPolarHBondContact CG-OD1 3.36Å; R705-D715 IonicContact CZ-OD1 2.67Å; R705-D715 IonicContact CZ-OD2 3.71Å; R705-D715 IonicContact NE-OD1 2.79Å; R705-D715 PolarHBondContact NE-OD1 2.98Å; R705-D715 IonicContact NE-OD2 2.75Å; R705-D715 IonicContact NH2-OD1 3.11Å; R705-D715 PolarHBondContact NH2-OD1 3.38Å; R705-D715 IonicContact NH2-OD2 3.67Å; R705-D715 PolarHBondContact NH2-OD2 3.17Å
716C85.8Confident85Confident3 Ų343.7 Ų43.72%0.0225%0.253CS..EExtended strand (participates in β ladder)trans-128156.4-174.5-63.30000111.3Y704 I706 I714 E720 V721Y704-C716 PolarHBondContact N-O 3.31Å; Y704-C716 PolarHBondContact O-N 3.45Å; I706-C716 HydrophobicContact CD1-CB 4.32Å; I714-C716 WeakPolarHBondContact CD1-SG 3.48Å; C716-E720 HydrophobicContact CB-CB 4.07Å; C716-V721 HydrophobicContact CB-CG2 3.67Å
717T84.7Confident83.6Confident17 Ų1746.4 Ų46.410%0.10427%0.267CS..EExtended strand (participates in β ladder)trans-82166.9164.963.20000110.8F643 G656 D719 E720 V721F643-T717 HydrophobicContact CD1-CG2 4.15Å; F643-T717 HydrophobicContact CE1-CG2 3.61Å; F643-T717 HydrophobicContact CZ-CG2 4.16Å; G656-T717 WeakPolarHBondContact O-CG2 3.29Å; T717-D719 PolarHBondContact O-N 3.35Å; T717-E720 PolarHBondContact N-OE2 3Å; T717-E720 PolarHBondContact O-N 3.33Å; T717-E720 VanDerWaalsContact OG1-CD 3.32Å; T717-E720 WeakPolarHBondContact OG1-CG 3.49Å; T717-E720 PolarHBondContact OG1-OE2 3.41Å; T717-V721 WeakPolarHBondContact O-CG2 3.45Å
718R84.6Confident82.5Confident30 Ų3044.1 Ų44.111%0.11326%0.255CS..G310 helixtrans-57.3-36.7175.5-177.962.8-166.487-9.8112.6K612 P613 Y704 E720 V721 D726K612-R718 HydrophobicContact CB-CG 4.28Å; K612-R718 PolarHBondContact O-NE 3.33Å; K612-R718 VanDerWaalsContact O-NE 3.15Å; P613-R718 PolarHBondContact O-NE 3.12Å; P613-R718 PolarHBondContact O-NH2 2.86Å; Y704-R718 HydrophobicContact CE2-CB 3.8Å; Y704-R718 HydrophobicContact CE2-CG 4.41Å; Y704-R718 WeakPolarHBondContact OH-CD 3.34Å; R718-E720 PolarHBondContact O-N 3.46Å; R718-V721 PolarHBondContact NH1-O 3.23Å; R718-V721 PolarHBondContact O-N 3.32Å; R718-D726 IonicContact CZ-OD1 2.87Å; R718-D726 IonicContact CZ-OD2 3.67Å; R718-D726 IonicContact NH1-OD2 3.92Å; R718-D726 PolarHBondContact NH1-OD2 3.2Å; R718-D726 IonicContact NH2-OD1 3.86Å; R718-D726 PolarHBondContact NH2-OD1 3.35Å; R718-D726 IonicContact NH2-OD2 2.69Å; R718-D726 PolarHBondContact NH2-OD2 3.31Å
719D79.5Confident81.4Confident106 Ų10645.1 Ų45.157%0.56726%0.262SS*.G310 helixtrans-67.9-25.7-175.6-70-33.9000112.7K612 T717 V721K612-D719 PolarHBondContact NZ-O 2.84Å; T717-D719 PolarHBondContact O-N 3.35Å; D719-V721 VanDerWaalsContact C-N 3.33Å
720E86.6Confident80.2Confident65 Ų6546 Ų4630%0.30426%0.263SS..G310 helixtrans-86.5-2.6-179.7-68.7167.1138.900113.4A623 Q624 C716 T717 R718A623-E720 CarbonylContact C-O 3.56Å; A623-E720 WeakPolarHBondContact CA-O 3.49Å; Q624-E720 HydrophobicContact CB-CB 4.04Å; Q624-E720 HydrophobicContact CB-CG 4.36Å; Q624-E720 PolarHBondContact N-O 3.06Å; C716-E720 HydrophobicContact CB-CB 4.07Å; T717-E720 PolarHBondContact N-OE2 3Å; T717-E720 PolarHBondContact O-N 3.33Å; T717-E720 VanDerWaalsContact OG1-CD 3.32Å; T717-E720 WeakPolarHBondContact OG1-CG 3.49Å; T717-E720 PolarHBondContact OG1-OE2 3.41Å; R718-E720 PolarHBondContact O-N 3.46Å
721V88Confident79.5Confident0 Ų046.1 Ų46.10%026%0.26CS..EExtended strand (participates in β ladder)trans-118.2142.1-174.1-174.40000110.4V615 V621 V622 Y704 I706 C716 T717 R718 D719V615-V721 HydrophobicContact CG2-CG1 4.24Å; V621-V721 HydrophobicContact CB-CG1 3.87Å; V621-V721 HydrophobicContact CG1-CG1 3.77Å; V621-V721 HydrophobicContact CG2-CG1 4.32Å; V622-V721 CarbonylContact O-C 3.51Å; V622-V721 WeakPolarHBondContact O-CA 3.34Å; Y704-V721 HydrophobicContact CD2-CG2 4.4Å; Y704-V721 HydrophobicContact CG-CG2 4.25Å; I706-V721 HydrophobicContact CD1-CB 4.36Å; I706-V721 HydrophobicContact CD1-CG1 3.93Å; I706-V721 HydrophobicContact CD1-CG2 3.43Å; I706-V721 VanDerWaalsContact CD1-CG2 3.43Å; C716-V721 HydrophobicContact CB-CG2 3.67Å; T717-V721 WeakPolarHBondContact O-CG2 3.45Å; R718-V721 PolarHBondContact NH1-O 3.23Å; R718-V721 PolarHBondContact O-N 3.32Å; D719-V721 VanDerWaalsContact C-N 3.33Å
722Y86.9Confident79Confident23 Ų2343.6 Ų43.69%0.0923%0.234CC..EExtended strand (participates in β ladder)trans-126.5109.2171.2-58.1-91.2000109K612 V621 V622 F630 D726 L728 P729 V732K612-Y722 VanDerWaalsContact NZ-CE1 3.27Å; V621-Y722 CarbonylContact C-O 3.43Å; V621-Y722 VanDerWaalsContact CA-O 3.24Å; V621-Y722 WeakPolarHBondContact CA-O 3.47Å; V621-Y722 WeakPolarHBondContact CB-O 3.38Å; V622-Y722 HydrophobicContact CG1-CD2 4.41Å; V622-Y722 PolarHBondContact N-O 3.25Å; V622-Y722 PolarHBondContact O-N 3.47Å; F630-Y722 HydrophobicContact CE1-CE2 4.05Å; Y722-D726 WeakPolarHBondContact CA-OD2 3.44Å; Y722-D726 HydrophobicContact CD1-CB 4.18Å; Y722-L728 HydrophobicContact CD1-CD2 4.32Å; Y722-L728 HydrophobicContact CD2-CD2 4.15Å; Y722-L728 HydrophobicContact CG-CD2 3.76Å; Y722-P729 HydrophobicContact CE1-CG 3.67Å; Y722-V732 HydrophobicContact CE2-CG2 4.08Å
723G83.8Confident78.1Confident1 Ų139.8 Ų39.81%0.0122%0.216CC..  trans-98.3-177.6175.300000113.7L392 G725 D726L392-G723 VanDerWaalsContact CD1-C 3.43Å; L392-G723 WeakPolarHBondContact CD1-O 3.37Å; G723-G725 VanDerWaalsContact C-N 3.26Å; G723-G725 PolarHBondContact O-N 2.82Å; G723-G725 VanDerWaalsContact O-N 3.12Å; G723-D726 PolarHBondContact N-OD2 2.94Å; G723-D726 WeakPolarHBondContact O-CA 3.44Å; G723-D726 VanDerWaalsContact O-CB 3.28Å; G723-D726 WeakPolarHBondContact O-CB 3.46Å; G723-D726 PolarHBondContact O-N 2.81Å
724P69.5Low77.1Confident25 Ų2543.9 Ų43.916%0.16223%0.225CC..THydrogen-bonded Turntrans-61-27-166.6-25.634.7000116.7S389 L392 E619S389-P724 VanDerWaalsContact CB-O 3.29Å; S389-P724 WeakPolarHBondContact CB-O 3.3Å; S389-P724 PolarHBondContact N-O 3.18Å; L392-P724 HydrophobicContact CB-CB 4.1Å; L392-P724 HydrophobicContact CB-CG 4.26Å; E619-P724 HydrophobicContact CB-CG 4.42Å
725G66.2Low76.4Confident61 Ų6146.4 Ų46.463%0.62924%0.236SC*.THydrogen-bonded Turntrans-86.4-7.5173.300000114.1G723G723-G725 VanDerWaalsContact C-N 3.26Å; G723-G725 PolarHBondContact O-N 2.82Å; G723-G725 VanDerWaalsContact O-N 3.12Å
726D70.4Confident75.8Confident11 Ų1143 Ų436%0.05922%0.217CC..SBendtrans-83.9143179.2-66.8-44.5000111.9P613 R718 Y722 G723 L728P613-D726 WeakPolarHBondContact CD-OD1 3.14Å; R718-D726 IonicContact CZ-OD1 2.87Å; R718-D726 IonicContact CZ-OD2 3.67Å; R718-D726 IonicContact NH1-OD2 3.92Å; R718-D726 PolarHBondContact NH1-OD2 3.2Å; R718-D726 IonicContact NH2-OD1 3.86Å; R718-D726 PolarHBondContact NH2-OD1 3.35Å; R718-D726 IonicContact NH2-OD2 2.69Å; R718-D726 PolarHBondContact NH2-OD2 3.31Å; Y722-D726 WeakPolarHBondContact CA-OD2 3.44Å; Y722-D726 HydrophobicContact CD1-CB 4.18Å; G723-D726 PolarHBondContact N-OD2 2.94Å; G723-D726 WeakPolarHBondContact O-CA 3.44Å; G723-D726 VanDerWaalsContact O-CB 3.28Å; G723-D726 WeakPolarHBondContact O-CB 3.46Å; G723-D726 PolarHBondContact O-N 2.81Å; D726-L728 PolarHBondContact O-N 2.86Å
727I63.4Low74.4Confident57 Ų5749.7 Ų49.729%0.29224%0.242SC..PPolyproline II helixtrans-83.6117168.1-49.8150.2000107.5T586 V604 P729T586-I727 HydrophobicContact CG2-CD1 3.27Å; T586-I727 HydrophobicContact CG2-CG1 3.8Å; T586-I727 WeakPolarHBondContact OG1-CD1 3.49Å; V604-I727 HydrophobicContact CB-CG2 4.49Å; V604-I727 HydrophobicContact CG1-CB 3.97Å; V604-I727 HydrophobicContact CG1-CD1 4.27Å; V604-I727 HydrophobicContact CG1-CG2 3.39Å; V604-I727 HydrophobicContact CG2-CG2 4.29Å; I727-P729 VanDerWaalsContact O-CD 3.31Å; I727-P729 WeakPolarHBondContact O-CD 3.12Å
728L71.6Confident72.7Confident5 Ų556.3 Ų56.33%0.02627%0.27CS..PPolyproline II helixtrans-70.6121.2175-79.9158.2000110I391 L392 V622 Y722 D726 V732 K733I391-L728 HydrophobicContact CD1-CD1 4.43Å; L392-L728 HydrophobicContact CD1-CD1 3.92Å; L392-L728 HydrophobicContact CD1-CG 4.27Å; L392-L728 HydrophobicContact CD2-CD1 4.5Å; L392-L728 HydrophobicContact CG-CD1 4.11Å; V622-L728 HydrophobicContact CB-CD2 3.83Å; V622-L728 HydrophobicContact CG1-CD2 4.1Å; V622-L728 HydrophobicContact CG2-CD1 4.39Å; V622-L728 HydrophobicContact CG2-CD2 3.87Å; Y722-L728 HydrophobicContact CD1-CD2 4.32Å; Y722-L728 HydrophobicContact CD2-CD2 4.15Å; Y722-L728 HydrophobicContact CG-CD2 3.76Å; D726-L728 PolarHBondContact O-N 2.86Å; L728-V732 HydrophobicContact CD2-CG1 3.83Å; L728-K733 HydrophobicContact CB-CG 3.87Å; L728-K733 WeakPolarHBondContact O-CE 3.41Å
729P69.9Low70.9Confident24 Ų2460.3 Ų60.316%0.15629%0.285CS..PPolyproline II helixtrans-62.2146.2174.9-22.132.8000111.5Y722 I727 H731 V732 K733Y722-P729 HydrophobicContact CE1-CG 3.67Å; I727-P729 VanDerWaalsContact O-CD 3.31Å; I727-P729 WeakPolarHBondContact O-CD 3.12Å; P729-H731 VanDerWaalsContact CB-CE1 3.45Å; P729-H731 WeakPolarHBondContact CB-CE1 3.25Å; P729-H731 PolarHBondContact O-N 3.09Å; P729-H731 VanDerWaalsContact O-N 3.15Å; P729-V732 HydrophobicContact CB-CG2 4.09Å; P729-V732 HydrophobicContact CG-CG2 4.11Å; P729-V732 WeakPolarHBondContact O-CA 3.07Å; P729-V732 VanDerWaalsContact O-CB 3.28Å; P729-V732 WeakPolarHBondContact O-CB 3.34Å; P729-V732 PolarHBondContact O-N 2.65Å; P729-K733 PolarHBondContact O-N 3.34Å; P729-K733 VanDerWaalsContact O-N 3.11Å
730E61.8Low68.9Low112 Ų11262 Ų6252%0.52329%0.291SS..Hα-helixtrans-60.7-33.3-172.9-159.757.8-154.900113.3V732 K733 R734E730-V732 VanDerWaalsContact C-N 3.28Å; E730-V732 PolarHBondContact O-N 3.05Å; E730-K733 PolarHBondContact O-N 3.3Å; E730-K733 WeakPolarHBondContact OE2-CD 3.43Å; E730-K733 IonicContact OE2-NZ 3.92Å; E730-K733 PolarHBondContact OE2-NZ 2.8Å; E730-K733 VanDerWaalsContact OE2-NZ 3.11Å; E730-R734 WeakPolarHBondContact O-CB 3.49Å; E730-R734 PolarHBondContact O-N 3.32Å
731H71.3Confident66.3Low93 Ų9368.2 Ų68.243%0.43132%0.317SS..Hα-helixtrans-66.8-28.7175.173.3-95000113.1P729 K735P729-H731 VanDerWaalsContact CB-CE1 3.45Å; P729-H731 WeakPolarHBondContact CB-CE1 3.25Å; P729-H731 PolarHBondContact O-N 3.09Å; P729-H731 VanDerWaalsContact O-N 3.15Å; H731-K735 WeakPolarHBondContact O-CD 3.28Å; H731-K735 VanDerWaalsContact O-CG 3.32Å; H731-K735 WeakPolarHBondContact O-CG 3.44Å
732V78.1Confident63.6Low0 Ų078 Ų780%036%0.363CS..Hα-helixtrans-72.4-51173.7179.80000108.9V622 F630 Y722 L728 P729 E730 R734 K735 L736V622-V732 HydrophobicContact CG1-CG1 3.73Å; F630-V732 HydrophobicContact CB-CG1 4.09Å; F630-V732 HydrophobicContact CD1-CG1 3.79Å; F630-V732 HydrophobicContact CD1-CG2 4.26Å; F630-V732 HydrophobicContact CD2-CB 4.48Å; F630-V732 HydrophobicContact CD2-CG1 4.13Å; F630-V732 HydrophobicContact CD2-CG2 4.33Å; F630-V732 HydrophobicContact CE1-CG1 4.24Å; F630-V732 HydrophobicContact CE1-CG2 3.86Å; F630-V732 HydrophobicContact CE2-CG2 3.94Å; F630-V732 HydrophobicContact CG-CG1 3.73Å; F630-V732 HydrophobicContact CG-CG2 4.48Å; F630-V732 HydrophobicContact CZ-CG2 3.7Å; Y722-V732 HydrophobicContact CE2-CG2 4.08Å; L728-V732 HydrophobicContact CD2-CG1 3.83Å; P729-V732 HydrophobicContact CB-CG2 4.09Å; P729-V732 HydrophobicContact CG-CG2 4.11Å; P729-V732 WeakPolarHBondContact O-CA 3.07Å; P729-V732 VanDerWaalsContact O-CB 3.28Å; P729-V732 WeakPolarHBondContact O-CB 3.34Å; P729-V732 PolarHBondContact O-N 2.65Å; E730-V732 VanDerWaalsContact C-N 3.28Å; E730-V732 PolarHBondContact O-N 3.05Å; V732-R734 VanDerWaalsContact C-N 3.33Å; V732-R734 PolarHBondContact O-N 2.97Å; V732-K735 PolarHBondContact O-N 3.36Å; V732-K735 VanDerWaalsContact O-N 3.07Å; V732-L736 HydrophobicContact CG1-CD1 4.14Å; V732-L736 PolarHBondContact O-N 2.67Å
733K70Confident62.5Low17 Ų1780.7 Ų80.77%0.07438%0.376CS..Hα-helixtrans-54.6-46.8178-62.2-172.1-163.1161.60112.4D584 L728 P729 E730 K735 L736 R737D584-K733 IonicContact OD2-NZ 2.93Å; D584-K733 PolarHBondContact OD2-NZ 2.84Å; L728-K733 HydrophobicContact CB-CG 3.87Å; L728-K733 WeakPolarHBondContact O-CE 3.41Å; P729-K733 PolarHBondContact O-N 3.34Å; P729-K733 VanDerWaalsContact O-N 3.11Å; E730-K733 PolarHBondContact O-N 3.3Å; E730-K733 WeakPolarHBondContact OE2-CD 3.43Å; E730-K733 IonicContact OE2-NZ 3.92Å; E730-K733 PolarHBondContact OE2-NZ 2.8Å; E730-K733 VanDerWaalsContact OE2-NZ 3.11Å; K733-K735 VanDerWaalsContact C-N 3.26Å; K733-K735 PolarHBondContact O-N 2.95Å; K733-L736 PolarHBondContact O-N 2.72Å; K733-R737 PolarHBondContact O-N 3.13Å
734R69.6Low61.4Low177 Ų17784.9 Ų84.967%0.66840%0.396SS*.Hα-helixtrans-59.3-36.4179.2-174.1174.764.5149.7-1.9112.6E730 V732 K738E730-R734 WeakPolarHBondContact O-CB 3.49Å; E730-R734 PolarHBondContact O-N 3.32Å; V732-R734 VanDerWaalsContact C-N 3.33Å; V732-R734 PolarHBondContact O-N 2.97Å; R734-K738 PolarHBondContact O-N 2.95Å
735K75.5Confident60.9Low69 Ų6988.2 Ų88.230%0.341%0.409SS..Hα-helixtrans-75-33.7178.6-72.8173.5175.9176.40112.6T628 F630 H731 V732 K733T628-K735 WeakPolarHBondContact O-CD 3.32Å; T628-K735 WeakPolarHBondContact O-CE 3.47Å; T628-K735 PolarHBondContact O-NZ 3.25Å; F630-K735 HydrophobicContact CD2-CB 4.46Å; F630-K735 HydrophobicContact CD2-CD 3.82Å; F630-K735 HydrophobicContact CE2-CD 4Å; H731-K735 WeakPolarHBondContact O-CD 3.28Å; H731-K735 VanDerWaalsContact O-CG 3.32Å; H731-K735 WeakPolarHBondContact O-CG 3.44Å; V732-K735 PolarHBondContact O-N 3.36Å; V732-K735 VanDerWaalsContact O-N 3.07Å; K733-K735 VanDerWaalsContact C-N 3.26Å; K733-K735 PolarHBondContact O-N 2.95Å
736L73.7Confident60.6Low7 Ų789.8 Ų89.84%0.03740%0.396CS..Hα-helixtrans-66.8-44173-66.5167.9000111.3V622 F630 Y632 V732 K733 K738 R739V622-L736 HydrophobicContact CB-CD1 4.36Å; V622-L736 HydrophobicContact CG1-CD1 3.87Å; V622-L736 HydrophobicContact CG1-CD2 4.16Å; V622-L736 HydrophobicContact CG1-CG 4.45Å; V622-L736 HydrophobicContact CG2-CD1 3.54Å; V622-L736 HydrophobicContact CG2-CD2 4.43Å; F630-L736 HydrophobicContact CB-CD2 4.09Å; F630-L736 HydrophobicContact CB-CG 4.47Å; Y632-L736 HydrophobicContact CD2-CD2 4.24Å; Y632-L736 HydrophobicContact CE1-CD1 4.13Å; Y632-L736 HydrophobicContact CE2-CB 4.28Å; Y632-L736 HydrophobicContact CE2-CD1 4.5Å; Y632-L736 HydrophobicContact CE2-CD2 3.96Å; Y632-L736 HydrophobicContact CE2-CG 4.48Å; V732-L736 HydrophobicContact CG1-CD1 4.14Å; V732-L736 PolarHBondContact O-N 2.67Å; K733-L736 PolarHBondContact O-N 2.72Å; L736-K738 VanDerWaalsContact C-N 3.33Å; L736-K738 PolarHBondContact O-N 2.95Å; L736-R739 PolarHBondContact O-N 2.91Å
737R56.7Low60Low143 Ų14394.8 Ų94.854%0.5442%0.417SS..Hα-helixtrans-62.3-34.4-179.9-74.8-175.1180176.23.2113.8K733 R739 M740K733-R737 PolarHBondContact O-N 3.13Å; R737-R739 PolarHBondContact O-N 3.32Å; R737-M740 PolarHBondContact O-N 3.47Å
738K50.5Low59.7Low157 Ų15797.3 Ų97.368%0.68343%0.425SS*.Hα-helixtrans-60.1-27.2177.3-100.3-168.8173.1-165.70113.5R734 L736R734-K738 PolarHBondContact O-N 2.95Å; L736-K738 VanDerWaalsContact C-N 3.33Å; L736-K738 PolarHBondContact O-N 2.95Å
739R46.8Very low58.9Low113 Ų113103.9 Ų103.943%0.42645%0.454SS..THydrogen-bonded Turntrans-89.8-9.4-177.9-79.4176.2158.1-134.9-25.3115.1K629 S631 L736 R737 F741K629-R739 VanDerWaalsContact CE-NH1 3.26Å; S631-R739 PolarHBondContact OG-NH1 2.82Å; L736-R739 PolarHBondContact O-N 2.91Å; R737-R739 PolarHBondContact O-N 3.32Å; R739-F741 VanDerWaalsContact C-N 3.31Å
740M37.5Very low58Low142 Ų142110 Ų11070%0.748%0.476SS*.SBendtrans-82.1-13.5172.4-79.5-176.168.600112.7R737R737-M740 PolarHBondContact O-N 3.47Å
741F31.9Very low57.7Low196 Ų196109.8 Ų109.886%0.8647%0.473SS*.  trans-112.9-1.6-179.5-69.5-80.8000113.4R739R739-F741 VanDerWaalsContact C-N 3.31Å
742E31.3Very low56.5Low204 Ų204111.4 Ų111.495%0.95348%0.476SS*.  trans-101.80165-76.3176.9178.200108.1

Retrieved 742 of 742 residues in 177.4 ms (Link to these results)

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